NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13096 | 1u3o | 6300 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 14 HN SER 14 -10.339 -13.143 1.410 2 HA SER 14 HA SER 14 -9.462 -11.195 0.640 3 1HB SER 14 2HB SER 14 -8.437 -11.341 3.416 4 2HB SER 14 1HB SER 14 -7.592 -10.231 2.338 5 HG SER 14 HG SER 14 -10.409 -10.253 2.591 6 H GLY 15 HN GLY 15 -6.551 -12.328 2.337 7 1HA GLY 15 2HA GLY 15 -5.095 -13.727 0.667 8 2HA GLY 15 1HA GLY 15 -5.118 -12.209 -0.216 9 H GLY 16 HN GLY 16 -4.386 -10.264 1.065 10 1HA GLY 16 2HA GLY 16 -2.789 -10.572 3.377 11 2HA GLY 16 1HA GLY 16 -1.766 -10.632 1.950 12 H CYS 17 HN CYS 17 -2.555 -8.634 4.272 13 HA CYS 17 HA CYS 17 -2.366 -6.276 2.555 14 1HB CYS 17 2HB CYS 17 -3.799 -5.110 4.375 15 2HB CYS 17 1HB CYS 17 -4.607 -6.079 3.153 16 HG CYS 17 HG CYS 17 -4.697 -8.003 5.058 17 H GLU 18 HN GLU 18 -0.892 -4.829 3.198 18 HA GLU 18 HA GLU 18 0.268 -5.141 5.883 19 1HB GLU 18 2HB GLU 18 1.794 -6.157 4.279 20 2HB GLU 18 1HB GLU 18 1.784 -4.695 3.306 21 1HG GLU 18 2HG GLU 18 3.094 -3.533 4.802 22 2HG GLU 18 1HG GLU 18 2.650 -4.571 6.157 23 H LEU 19 HN LEU 19 1.029 -3.256 6.837 24 HA LEU 19 HA LEU 19 -0.324 -0.880 5.947 25 1HB LEU 19 2HB LEU 19 1.658 -0.607 8.103 26 2HB LEU 19 1HB LEU 19 0.035 0.027 7.985 27 HG LEU 19 HG LEU 19 0.842 -2.743 8.830 28 1HD1 LEU 19 1HD1 LEU 19 -0.177 -2.157 10.923 29 2HD1 LEU 19 2HD1 LEU 19 -0.709 -0.606 10.273 30 3HD1 LEU 19 3HD1 LEU 19 1.012 -0.925 10.500 31 1HD2 LEU 19 1HD2 LEU 19 -1.731 -1.705 7.810 32 2HD2 LEU 19 2HD2 LEU 19 -1.798 -2.719 9.253 33 3HD2 LEU 19 3HD2 LEU 19 -1.071 -3.341 7.771 34 H THR 20 HN THR 20 0.450 0.751 4.857 35 HA THR 20 HA THR 20 3.334 1.101 4.572 36 HB THR 20 HB THR 20 2.604 -0.270 2.656 37 HG1 THR 20 1HG THR 20 3.570 1.007 1.117 38 1HG2 THR 20 1HG2 THR 20 1.274 0.942 0.868 39 2HG2 THR 20 2HG2 THR 20 0.728 2.012 2.160 40 3HG2 THR 20 3HG2 THR 20 0.375 0.284 2.236 41 H VAL 21 HN VAL 21 3.960 3.202 3.903 42 HA VAL 21 HA VAL 21 1.860 5.235 4.233 43 HB VAL 21 HB VAL 21 3.830 6.704 4.993 44 1HG1 VAL 21 1HG1 VAL 21 3.702 5.555 7.350 45 2HG1 VAL 21 2HG1 VAL 21 2.456 4.585 6.563 46 3HG1 VAL 21 3HG1 VAL 21 2.288 6.339 6.645 47 1HG2 VAL 21 1HG2 VAL 21 5.625 5.440 6.172 48 2HG2 VAL 21 2HG2 VAL 21 5.676 5.297 4.416 49 3HG2 VAL 21 3HG2 VAL 21 5.035 3.973 5.390 50 H VAL 22 HN VAL 22 1.705 6.738 2.643 51 HA VAL 22 HA VAL 22 3.202 6.325 0.277 52 HB VAL 22 HB VAL 22 2.020 8.601 -0.337 53 1HG1 VAL 22 1HG1 VAL 22 -0.121 6.920 -0.552 54 2HG1 VAL 22 2HG1 VAL 22 1.244 5.812 -0.415 55 3HG1 VAL 22 3HG1 VAL 22 1.225 7.036 -1.684 56 1HG2 VAL 22 1HG2 VAL 22 0.068 7.588 1.688 57 2HG2 VAL 22 2HG2 VAL 22 0.038 9.104 0.787 58 3HG2 VAL 22 3HG2 VAL 22 1.226 8.862 2.067 59 H LEU 23 HN LEU 23 4.984 7.260 -0.407 60 HA LEU 23 HA LEU 23 6.353 9.074 1.309 61 1HB LEU 23 2HB LEU 23 7.349 8.436 -1.428 62 2HB LEU 23 1HB LEU 23 8.255 8.672 0.053 63 HG LEU 23 HG LEU 23 6.674 6.226 -0.736 64 1HD1 LEU 23 1HD1 LEU 23 8.709 6.088 -1.829 65 2HD1 LEU 23 2HD1 LEU 23 9.025 5.233 -0.319 66 3HD1 LEU 23 3HD1 LEU 23 9.581 6.895 -0.526 67 1HD2 LEU 23 1HD2 LEU 23 6.299 6.275 1.542 68 2HD2 LEU 23 2HD2 LEU 23 7.835 7.070 1.885 69 3HD2 LEU 23 3HD2 LEU 23 7.805 5.364 1.444 70 H GLN 24 HN GLN 24 4.393 9.367 -1.521 71 HA GLN 24 HA GLN 24 4.770 12.242 -1.444 72 1HB GLN 24 2HB GLN 24 5.286 12.450 -3.723 73 2HB GLN 24 1HB GLN 24 6.285 11.136 -3.148 74 1HG GLN 24 2HG GLN 24 5.205 9.580 -4.344 75 2HG GLN 24 1HG GLN 24 3.685 10.463 -4.392 76 1HE2 GLN 24 1HE2 GLN 24 7.007 11.296 -5.309 77 2HE2 GLN 24 2HE2 GLN 24 6.630 11.743 -6.935 78 H ASP 25 HN ASP 25 2.958 13.421 -2.278 79 HA ASP 25 HA ASP 25 0.473 12.103 -1.856 80 1HB ASP 25 2HB ASP 25 0.112 14.553 -3.371 81 2HB ASP 25 1HB ASP 25 -0.427 14.149 -1.762 82 H PHE 26 HN PHE 26 -1.120 11.611 -3.289 83 HA PHE 26 HA PHE 26 -0.568 11.710 -6.144 84 1HB PHE 26 2HB PHE 26 0.295 9.522 -5.270 85 2HB PHE 26 1HB PHE 26 -1.350 9.115 -4.830 86 HD1 PHE 26 1HD PHE 26 -2.942 8.420 -6.442 87 HD2 PHE 26 2HD PHE 26 0.894 9.805 -7.658 88 HE1 PHE 26 1HE PHE 26 -3.357 7.579 -8.713 89 HE2 PHE 26 2HE PHE 26 0.483 8.964 -9.932 90 HZ PHE 26 HZ PHE 26 -1.646 7.849 -10.463 91 H SER 27 HN SER 27 -2.420 11.393 -7.445 92 HA SER 27 HA SER 27 -4.952 11.515 -5.997 93 1HB SER 27 2HB SER 27 -5.498 12.882 -8.229 94 2HB SER 27 1HB SER 27 -4.868 13.660 -6.788 95 HG SER 27 HG SER 27 -3.532 14.352 -8.341 96 H ALA 28 HN ALA 28 -6.512 10.230 -6.801 97 HA ALA 28 HA ALA 28 -5.989 7.971 -8.171 98 1HB ALA 28 1HB ALA 28 -8.250 7.525 -8.089 99 2HB ALA 28 2HB ALA 28 -8.687 9.202 -8.388 100 3HB ALA 28 3HB ALA 28 -8.047 8.725 -6.820 101 H ALA 29 HN ALA 29 -7.585 7.383 -10.112 102 HA ALA 29 HA ALA 29 -7.941 9.086 -12.269 103 1HB ALA 29 1HB ALA 29 -6.023 8.164 -13.725 104 2HB ALA 29 2HB ALA 29 -5.240 7.783 -12.192 105 3HB ALA 29 3HB ALA 29 -5.657 9.452 -12.576 106 H HIS 30 HN HIS 30 -7.129 5.858 -11.152 107 HA HIS 30 HA HIS 30 -8.742 4.722 -13.315 108 1HB HIS 30 2HB HIS 30 -7.024 3.078 -11.475 109 2HB HIS 30 1HB HIS 30 -7.626 2.676 -13.073 110 HD1 HIS 30 1HD HIS 30 -5.634 2.428 -14.505 111 HD2 HIS 30 2HD HIS 30 -5.356 5.768 -12.050 112 HE1 HIS 30 1HE HIS 30 -3.508 3.585 -15.181 113 HE2 HIS 30 2HE HIS 30 -3.404 5.648 -13.741 114 H SER 31 HN SER 31 -9.681 2.509 -12.524 115 HA SER 31 HA SER 31 -11.969 2.999 -11.115 116 1HB SER 31 2HB SER 31 -11.850 1.043 -12.458 117 2HB SER 31 1HB SER 31 -10.482 0.411 -11.544 118 HG SER 31 HG SER 31 -12.938 -0.190 -11.135 119 H SER 32 HN SER 32 -9.307 1.040 -9.772 120 HA SER 32 HA SER 32 -10.337 1.572 -7.105 121 1HB SER 32 2HB SER 32 -8.404 -0.065 -6.507 122 2HB SER 32 1HB SER 32 -9.832 -0.693 -7.330 123 HG SER 32 HG SER 32 -7.526 0.167 -8.726 124 H GLU 33 HN GLU 33 -9.152 3.838 -8.410 125 HA GLU 33 HA GLU 33 -6.613 4.161 -6.999 126 1HB GLU 33 2HB GLU 33 -7.859 5.355 -9.408 127 2HB GLU 33 1HB GLU 33 -6.795 6.368 -8.465 128 1HG GLU 33 2HG GLU 33 -5.479 3.950 -8.735 129 2HG GLU 33 1HG GLU 33 -6.174 4.321 -10.307 130 H LEU 34 HN LEU 34 -6.231 6.138 -5.824 131 HA LEU 34 HA LEU 34 -8.493 7.806 -5.199 132 1HB LEU 34 2HB LEU 34 -7.849 7.396 -2.675 133 2HB LEU 34 1HB LEU 34 -9.086 6.475 -3.500 134 HG LEU 34 HG LEU 34 -7.179 4.762 -3.962 135 1HD1 LEU 34 1HD1 LEU 34 -5.513 4.739 -2.142 136 2HD1 LEU 34 2HD1 LEU 34 -6.071 6.334 -1.638 137 3HD1 LEU 34 3HD1 LEU 34 -5.323 6.122 -3.222 138 1HD2 LEU 34 1HD2 LEU 34 -9.032 4.219 -2.583 139 2HD2 LEU 34 2HD2 LEU 34 -8.480 5.303 -1.307 140 3HD2 LEU 34 3HD2 LEU 34 -7.588 3.823 -1.651 141 H SER 35 HN SER 35 -7.847 9.579 -3.699 142 HA SER 35 HA SER 35 -5.217 10.484 -4.412 143 1HB SER 35 2HB SER 35 -6.150 12.580 -3.133 144 2HB SER 35 1HB SER 35 -6.666 12.239 -4.782 145 HG SER 35 HG SER 35 -8.057 11.443 -2.437 146 H ILE 36 HN ILE 36 -3.600 10.419 -3.148 147 HA ILE 36 HA ILE 36 -3.991 10.131 -0.252 148 HB ILE 36 HB ILE 36 -1.678 8.907 -0.443 149 1HG1 ILE 36 2HG1 ILE 36 -1.626 9.367 -2.954 150 2HG1 ILE 36 1HG1 ILE 36 -1.250 7.730 -2.455 151 1HG2 ILE 36 1HG2 ILE 36 -2.967 7.313 0.382 152 2HG2 ILE 36 2HG2 ILE 36 -3.446 6.864 -1.252 153 3HG2 ILE 36 3HG2 ILE 36 -4.395 8.044 -0.348 154 1HD1 ILE 36 1HD1 ILE 36 -4.030 7.858 -2.939 155 2HD1 ILE 36 2HD1 ILE 36 -2.794 6.975 -3.835 156 3HD1 ILE 36 3HD1 ILE 36 -3.203 8.629 -4.292 157 H GLN 37 HN GLN 37 -2.063 10.788 0.988 158 HA GLN 37 HA GLN 37 -0.545 12.918 -0.284 159 1HB GLN 37 2HB GLN 37 -2.341 13.012 2.054 160 2HB GLN 37 1HB GLN 37 -0.833 13.887 2.196 161 1HG GLN 37 2HG GLN 37 -1.570 15.537 0.909 162 2HG GLN 37 1HG GLN 37 -2.088 14.407 -0.341 163 1HE2 GLN 37 1HE2 GLN 37 -3.030 16.077 2.582 164 2HE2 GLN 37 2HE2 GLN 37 -4.735 15.906 2.364 165 H VAL 38 HN VAL 38 1.484 13.299 0.496 166 HA VAL 38 HA VAL 38 2.969 11.102 1.403 167 HB VAL 38 HB VAL 38 3.970 12.938 0.151 168 1HG1 VAL 38 1HG1 VAL 38 4.099 14.752 2.474 169 2HG1 VAL 38 2HG1 VAL 38 2.547 14.624 1.647 170 3HG1 VAL 38 3HG1 VAL 38 3.984 15.113 0.751 171 1HG2 VAL 38 1HG2 VAL 38 5.298 11.525 1.842 172 2HG2 VAL 38 2HG2 VAL 38 5.322 12.987 2.827 173 3HG2 VAL 38 3HG2 VAL 38 6.046 12.994 1.219 174 H GLY 39 HN GLY 39 3.117 10.239 3.405 175 1HA GLY 39 2HA GLY 39 3.873 10.677 5.690 176 2HA GLY 39 1HA GLY 39 2.805 12.062 5.711 177 H GLN 40 HN GLN 40 0.702 10.314 4.357 178 HA GLN 40 HA GLN 40 -0.468 9.439 6.789 179 1HB GLN 40 2HB GLN 40 -2.420 9.084 5.554 180 2HB GLN 40 1HB GLN 40 -1.698 10.542 4.946 181 1HG GLN 40 2HG GLN 40 -0.748 9.245 3.109 182 2HG GLN 40 1HG GLN 40 -1.605 7.832 3.702 183 1HE2 GLN 40 1HE2 GLN 40 -3.351 7.420 2.572 184 2HE2 GLN 40 2HE2 GLN 40 -4.411 8.585 1.867 185 H THR 41 HN THR 41 -1.619 7.314 6.867 186 HA THR 41 HA THR 41 0.116 5.197 5.789 187 HB THR 41 HB THR 41 -1.143 5.341 8.527 188 HG1 THR 41 1HG THR 41 0.830 5.644 9.140 189 1HG2 THR 41 1HG2 THR 41 -0.502 2.947 6.946 190 2HG2 THR 41 2HG2 THR 41 -1.510 3.121 8.382 191 3HG2 THR 41 3HG2 THR 41 0.241 2.984 8.547 192 H VAL 42 HN VAL 42 -0.787 3.729 4.650 193 HA VAL 42 HA VAL 42 -3.477 2.884 5.153 194 HB VAL 42 HB VAL 42 -2.889 4.636 2.902 195 1HG1 VAL 42 1HG1 VAL 42 -3.890 1.914 2.329 196 2HG1 VAL 42 2HG1 VAL 42 -2.636 2.795 1.520 197 3HG1 VAL 42 3HG1 VAL 42 -4.322 3.271 1.309 198 1HG2 VAL 42 1HG2 VAL 42 -5.464 4.395 2.724 199 2HG2 VAL 42 2HG2 VAL 42 -4.779 5.172 4.151 200 3HG2 VAL 42 3HG2 VAL 42 -5.318 3.495 4.233 201 H GLU 43 HN GLU 43 -3.775 0.808 4.656 202 HA GLU 43 HA GLU 43 -1.423 -0.735 4.390 203 1HB GLU 43 2HB GLU 43 -2.866 -2.659 4.739 204 2HB GLU 43 1HB GLU 43 -3.239 -1.385 5.891 205 1HG GLU 43 2HG GLU 43 -5.144 -0.708 4.486 206 2HG GLU 43 1HG GLU 43 -4.792 -2.041 3.392 207 H LEU 44 HN LEU 44 -0.512 -1.557 2.632 208 HA LEU 44 HA LEU 44 -1.657 -1.216 0.079 209 1HB LEU 44 2HB LEU 44 0.252 -2.584 -0.711 210 2HB LEU 44 1HB LEU 44 0.674 -1.140 0.150 211 HG LEU 44 HG LEU 44 0.924 -2.748 2.195 212 1HD1 LEU 44 1HD1 LEU 44 0.491 -4.886 1.781 213 2HD1 LEU 44 2HD1 LEU 44 1.913 -4.918 0.741 214 3HD1 LEU 44 3HD1 LEU 44 0.325 -4.581 0.054 215 1HD2 LEU 44 1HD2 LEU 44 3.219 -2.915 1.773 216 2HD2 LEU 44 2HD2 LEU 44 2.704 -1.488 0.874 217 3HD2 LEU 44 3HD2 LEU 44 2.979 -3.012 0.029 218 H LEU 45 HN LEU 45 -2.290 -2.676 -1.383 219 HA LEU 45 HA LEU 45 -3.853 -4.835 -0.333 220 1HB LEU 45 2HB LEU 45 -3.395 -4.317 -3.249 221 2HB LEU 45 1HB LEU 45 -4.791 -5.032 -2.477 222 HG LEU 45 HG LEU 45 -4.063 -2.144 -2.019 223 1HD1 LEU 45 1HD1 LEU 45 -5.504 -3.400 -4.324 224 2HD1 LEU 45 2HD1 LEU 45 -4.337 -2.081 -4.323 225 3HD1 LEU 45 3HD1 LEU 45 -5.977 -1.804 -3.745 226 1HD2 LEU 45 1HD2 LEU 45 -6.464 -3.869 -1.588 227 2HD2 LEU 45 2HD2 LEU 45 -6.604 -2.121 -1.733 228 3HD2 LEU 45 3HD2 LEU 45 -5.622 -2.819 -0.450 229 H GLU 46 HN GLU 46 -1.244 -4.754 -2.822 230 HA GLU 46 HA GLU 46 -0.600 -7.472 -1.991 231 1HB GLU 46 2HB GLU 46 -0.352 -8.151 -4.221 232 2HB GLU 46 1HB GLU 46 -1.855 -7.262 -4.181 233 1HG GLU 46 2HG GLU 46 -0.484 -5.270 -4.995 234 2HG GLU 46 1HG GLU 46 0.779 -6.445 -5.349 235 H ARG 47 HN ARG 47 1.588 -7.601 -3.921 236 HA ARG 47 HA ARG 47 3.486 -5.705 -2.715 237 1HB ARG 47 2HB ARG 47 4.169 -8.551 -3.408 238 2HB ARG 47 1HB ARG 47 5.094 -7.420 -2.435 239 1HG ARG 47 2HG ARG 47 4.103 -8.112 -0.580 240 2HG ARG 47 1HG ARG 47 2.508 -7.790 -1.262 241 1HD ARG 47 2HD ARG 47 2.718 -10.007 -2.461 242 2HD ARG 47 1HD ARG 47 4.137 -10.315 -1.462 243 HE ARG 47 HE ARG 47 2.225 -9.697 0.350 244 1HH1 ARG 47 1HH1 ARG 47 2.353 -11.996 -2.284 245 2HH1 ARG 47 2HH1 ARG 47 1.286 -13.120 -1.512 246 1HH2 ARG 47 1HH2 ARG 47 0.825 -11.179 1.357 247 2HH2 ARG 47 2HH2 ARG 47 0.421 -12.658 0.550 248 HA PRO 48 HA PRO 48 5.030 -5.204 -6.845 249 1HB PRO 48 2HB PRO 48 7.597 -4.527 -6.452 250 2HB PRO 48 1HB PRO 48 6.260 -3.492 -5.950 251 1HG PRO 48 2HG PRO 48 8.074 -5.148 -4.317 252 2HG PRO 48 1HG PRO 48 7.167 -3.696 -3.870 253 1HD PRO 48 2HD PRO 48 6.498 -6.413 -3.329 254 2HD PRO 48 1HD PRO 48 5.540 -4.968 -2.955 255 H SER 49 HN SER 49 5.299 -8.050 -5.739 256 HA SER 49 HA SER 49 7.726 -9.109 -6.721 257 1HB SER 49 2HB SER 49 5.798 -10.102 -5.139 258 2HB SER 49 1HB SER 49 5.350 -10.859 -6.667 259 HG SER 49 HG SER 49 7.861 -11.018 -5.354 260 H GLU 50 HN GLU 50 4.492 -8.931 -8.011 261 HA GLU 50 HA GLU 50 5.145 -10.092 -10.523 262 1HB GLU 50 2HB GLU 50 2.875 -9.661 -11.072 263 2HB GLU 50 1HB GLU 50 2.914 -10.171 -9.402 264 1HG GLU 50 2HG GLU 50 2.836 -7.793 -8.737 265 2HG GLU 50 1HG GLU 50 2.604 -7.381 -10.435 266 H ARG 51 HN ARG 51 4.728 -6.903 -9.208 267 HA ARG 51 HA ARG 51 5.793 -5.740 -11.698 268 1HB ARG 51 2HB ARG 51 3.425 -5.046 -10.140 269 2HB ARG 51 1HB ARG 51 4.487 -3.668 -10.386 270 1HG ARG 51 2HG ARG 51 2.883 -3.706 -12.140 271 2HG ARG 51 1HG ARG 51 4.453 -4.141 -12.816 272 1HD ARG 51 2HD ARG 51 3.859 -6.475 -12.825 273 2HD ARG 51 1HD ARG 51 2.346 -6.131 -11.986 274 HE ARG 51 HE ARG 51 1.419 -5.469 -13.977 275 1HH1 ARG 51 1HH1 ARG 51 4.882 -5.755 -14.383 276 2HH1 ARG 51 2HH1 ARG 51 4.815 -5.580 -16.103 277 1HH2 ARG 51 1HH2 ARG 51 1.341 -5.239 -16.238 278 2HH2 ARG 51 2HH2 ARG 51 2.809 -5.287 -17.155 279 HA PRO 52 HA PRO 52 8.809 -4.377 -8.655 280 1HB PRO 52 2HB PRO 52 10.857 -3.957 -10.318 281 2HB PRO 52 1HB PRO 52 10.291 -5.593 -9.962 282 1HG PRO 52 2HG PRO 52 9.914 -3.953 -12.405 283 2HG PRO 52 1HG PRO 52 10.020 -5.712 -12.235 284 1HD PRO 52 2HD PRO 52 7.660 -4.136 -12.470 285 2HD PRO 52 1HD PRO 52 7.763 -5.877 -12.149 286 H GLY 53 HN GLY 53 8.377 -2.446 -7.811 287 1HA GLY 53 2HA GLY 53 9.233 -0.157 -7.817 288 2HA GLY 53 1HA GLY 53 8.824 -0.085 -9.519 289 H TRP 54 HN TRP 54 6.347 -1.695 -8.221 290 HA TRP 54 HA TRP 54 4.814 0.712 -7.778 291 1HB TRP 54 2HB TRP 54 3.094 -0.175 -8.963 292 2HB TRP 54 1HB TRP 54 4.444 -0.918 -9.776 293 HD1 TRP 54 1HD TRP 54 4.931 -3.294 -7.654 294 HE1 TRP 54 1HE TRP 54 3.224 -5.240 -7.561 295 HE3 TRP 54 3HE TRP 54 0.983 -0.937 -9.769 296 HZ2 TRP 54 2HZ TRP 54 0.526 -5.682 -8.316 297 HZ3 TRP 54 3HZ TRP 54 -1.146 -2.161 -10.062 298 HH2 TRP 54 2HH TRP 54 -1.364 -4.488 -9.342 299 H CYS 55 HN CYS 55 2.852 0.536 -6.455 300 HA CYS 55 HA CYS 55 2.623 -1.603 -4.572 301 1HB CYS 55 2HB CYS 55 4.331 0.431 -3.790 302 2HB CYS 55 1HB CYS 55 2.844 0.782 -2.947 303 HG CYS 55 HG CYS 55 4.779 -1.203 -2.047 304 H LEU 56 HN LEU 56 0.780 -1.435 -3.248 305 HA LEU 56 HA LEU 56 -1.257 0.358 -4.369 306 1HB LEU 56 2HB LEU 56 -1.297 -2.433 -3.323 307 2HB LEU 56 1HB LEU 56 -2.757 -1.485 -3.345 308 HG LEU 56 HG LEU 56 -2.878 -1.456 -5.664 309 1HD1 LEU 56 1HD1 LEU 56 0.046 -2.208 -5.718 310 2HD1 LEU 56 2HD1 LEU 56 -0.669 -0.676 -6.220 311 3HD1 LEU 56 3HD1 LEU 56 -0.990 -2.143 -7.143 312 1HD2 LEU 56 1HD2 LEU 56 -1.930 -4.019 -4.543 313 2HD2 LEU 56 2HD2 LEU 56 -2.061 -3.899 -6.296 314 3HD2 LEU 56 3HD2 LEU 56 -3.476 -3.607 -5.284 315 H VAL 57 HN VAL 57 -3.000 1.068 -2.915 316 HA VAL 57 HA VAL 57 -2.236 1.081 -0.077 317 HB VAL 57 HB VAL 57 -3.130 3.583 -0.214 318 1HG1 VAL 57 1HG1 VAL 57 -0.512 2.341 -0.263 319 2HG1 VAL 57 2HG1 VAL 57 -1.105 3.689 0.707 320 3HG1 VAL 57 3HG1 VAL 57 -0.491 3.979 -0.916 321 1HG2 VAL 57 1HG2 VAL 57 -1.823 3.261 -2.893 322 2HG2 VAL 57 2HG2 VAL 57 -2.386 4.764 -2.163 323 3HG2 VAL 57 3HG2 VAL 57 -3.548 3.520 -2.624 324 H ARG 58 HN ARG 58 -3.922 0.461 1.158 325 HA ARG 58 HA ARG 58 -6.635 1.126 0.264 326 1HB ARG 58 2HB ARG 58 -6.773 -1.104 -0.063 327 2HB ARG 58 1HB ARG 58 -5.494 -1.474 1.069 328 1HG ARG 58 2HG ARG 58 -6.958 -2.012 2.665 329 2HG ARG 58 1HG ARG 58 -7.886 -0.533 2.429 330 1HD ARG 58 2HD ARG 58 -8.100 -2.810 0.503 331 2HD ARG 58 1HD ARG 58 -9.046 -2.769 1.995 332 HE ARG 58 HE ARG 58 -9.181 -0.367 0.380 333 1HH1 ARG 58 1HH1 ARG 58 -10.605 -3.516 1.051 334 2HH1 ARG 58 2HH1 ARG 58 -12.174 -3.073 0.475 335 1HH2 ARG 58 1HH2 ARG 58 -11.302 0.185 -0.376 336 2HH2 ARG 58 2HH2 ARG 58 -12.565 -0.992 -0.330 337 H THR 59 HN THR 59 -8.123 1.842 1.863 338 HA THR 59 HA THR 59 -6.895 2.302 4.504 339 HB THR 59 HB THR 59 -7.342 4.381 3.392 340 HG1 THR 59 1HG THR 59 -8.189 5.215 5.120 341 1HG2 THR 59 1HG2 THR 59 -10.217 3.556 3.144 342 2HG2 THR 59 2HG2 THR 59 -9.058 3.599 1.817 343 3HG2 THR 59 3HG2 THR 59 -9.502 5.089 2.646 344 H THR 60 HN THR 60 -7.827 1.467 6.235 345 HA THR 60 HA THR 60 -10.478 0.227 5.922 346 HB THR 60 HB THR 60 -8.949 -1.556 6.147 347 HG1 THR 60 1HG THR 60 -9.766 -2.493 7.880 348 1HG2 THR 60 1HG2 THR 60 -7.550 0.202 8.078 349 2HG2 THR 60 2HG2 THR 60 -6.901 -0.841 6.813 350 3HG2 THR 60 3HG2 THR 60 -7.473 -1.542 8.327 351 H GLU 61 HN GLU 61 -8.619 2.516 7.677 352 HA GLU 61 HA GLU 61 -10.371 2.445 9.994 353 1HB GLU 61 2HB GLU 61 -7.779 2.947 9.922 354 2HB GLU 61 1HB GLU 61 -8.327 4.583 9.583 355 1HG GLU 61 2HG GLU 61 -9.727 4.441 11.655 356 2HG GLU 61 1HG GLU 61 -8.918 2.916 12.014 357 H ARG 62 HN ARG 62 -11.144 3.299 7.167 358 HA ARG 62 HA ARG 62 -12.629 5.662 7.934 359 1HB ARG 62 2HB ARG 62 -10.609 5.419 5.786 360 2HB ARG 62 1HB ARG 62 -12.126 6.157 5.306 361 1HG ARG 62 2HG ARG 62 -11.757 7.602 7.450 362 2HG ARG 62 1HG ARG 62 -10.075 7.113 7.233 363 1HD ARG 62 2HD ARG 62 -9.817 8.351 5.355 364 2HD ARG 62 1HD ARG 62 -11.474 8.077 4.819 365 HE ARG 62 HE ARG 62 -10.501 10.263 6.418 366 1HH1 ARG 62 1HH1 ARG 62 -13.324 8.391 5.541 367 2HH1 ARG 62 2HH1 ARG 62 -14.436 9.651 5.954 368 1HH2 ARG 62 1HH2 ARG 62 -11.969 11.913 6.957 369 2HH2 ARG 62 2HH2 ARG 62 -13.669 11.648 6.757 370 H SER 63 HN SER 63 -14.511 4.515 8.034 371 HA SER 63 HA SER 63 -15.205 2.594 6.019 372 1HB SER 63 2HB SER 63 -17.486 2.774 7.356 373 2HB SER 63 1HB SER 63 -16.092 1.936 8.038 374 HG SER 63 HG SER 63 -17.089 3.460 9.483 375 HA PRO 64 HA PRO 64 -16.335 1.794 4.547 376 1HB PRO 64 2HB PRO 64 -16.599 1.815 1.883 377 2HB PRO 64 1HB PRO 64 -18.009 1.855 2.949 378 1HG PRO 64 2HG PRO 64 -16.679 4.100 1.484 379 2HG PRO 64 1HG PRO 64 -18.407 3.762 1.683 380 1HD PRO 64 2HD PRO 64 -17.018 5.591 3.186 381 2HD PRO 64 1HD PRO 64 -18.491 4.768 3.734 382 HA PRO 65 HA PRO 65 -11.937 2.045 3.747 383 1HB PRO 65 2HB PRO 65 -11.708 -0.326 2.295 384 2HB PRO 65 1HB PRO 65 -11.594 -0.178 4.049 385 1HG PRO 65 2HG PRO 65 -13.919 -0.993 2.364 386 2HG PRO 65 1HG PRO 65 -13.401 -1.613 3.943 387 1HD PRO 65 2HD PRO 65 -15.481 0.050 3.734 388 2HD PRO 65 1HD PRO 65 -14.341 0.183 5.091 389 H GLN 66 HN GLN 66 -10.423 1.956 1.878 390 HA GLN 66 HA GLN 66 -11.648 2.365 -0.688 391 1HB GLN 66 2HB GLN 66 -11.012 4.489 0.951 392 2HB GLN 66 1HB GLN 66 -9.604 4.355 -0.086 393 1HG GLN 66 2HG GLN 66 -10.886 4.657 -2.027 394 2HG GLN 66 1HG GLN 66 -12.392 4.411 -1.149 395 1HE2 GLN 66 1HE2 GLN 66 -9.662 6.400 -0.149 396 2HE2 GLN 66 2HE2 GLN 66 -10.505 7.906 -0.202 397 H GLU 67 HN GLU 67 -9.982 2.314 -2.436 398 HA GLU 67 HA GLU 67 -7.490 1.091 -1.545 399 1HB GLU 67 2HB GLU 67 -8.175 -0.225 -3.955 400 2HB GLU 67 1HB GLU 67 -7.966 -0.908 -2.364 401 1HG GLU 67 2HG GLU 67 -10.196 -1.047 -1.971 402 2HG GLU 67 1HG GLU 67 -10.583 0.323 -3.008 403 H GLY 68 HN GLY 68 -5.747 1.320 -2.914 404 1HA GLY 68 2HA GLY 68 -6.135 3.130 -5.221 405 2HA GLY 68 1HA GLY 68 -5.061 3.615 -3.934 406 H LEU 69 HN LEU 69 -4.049 3.623 -6.340 407 HA LEU 69 HA LEU 69 -2.087 1.482 -6.243 408 1HB LEU 69 2HB LEU 69 -4.009 1.927 -8.450 409 2HB LEU 69 1HB LEU 69 -2.347 1.598 -8.906 410 HG LEU 69 HG LEU 69 -2.590 -0.402 -7.252 411 1HD1 LEU 69 1HD1 LEU 69 -4.615 -0.943 -6.502 412 2HD1 LEU 69 2HD1 LEU 69 -5.338 -0.746 -8.097 413 3HD1 LEU 69 3HD1 LEU 69 -5.149 0.649 -7.037 414 1HD2 LEU 69 1HD2 LEU 69 -2.330 -0.320 -9.813 415 2HD2 LEU 69 2HD2 LEU 69 -4.056 -0.679 -9.844 416 3HD2 LEU 69 3HD2 LEU 69 -2.936 -1.800 -9.070 417 H VAL 70 HN VAL 70 -0.104 2.196 -6.559 418 HA VAL 70 HA VAL 70 0.523 4.376 -8.306 419 HB VAL 70 HB VAL 70 1.813 5.356 -6.053 420 1HG1 VAL 70 1HG1 VAL 70 0.648 6.501 -8.014 421 2HG1 VAL 70 2HG1 VAL 70 0.643 7.329 -6.457 422 3HG1 VAL 70 3HG1 VAL 70 -0.798 6.471 -7.004 423 1HG2 VAL 70 1HG2 VAL 70 0.462 5.463 -4.218 424 2HG2 VAL 70 2HG2 VAL 70 -0.022 3.882 -4.829 425 3HG2 VAL 70 3HG2 VAL 70 -1.020 5.297 -5.158 426 HA PRO 71 HA PRO 71 4.334 2.259 -7.950 427 1HB PRO 71 2HB PRO 71 6.253 4.053 -8.468 428 2HB PRO 71 1HB PRO 71 5.093 3.504 -9.683 429 1HG PRO 71 2HG PRO 71 5.251 6.099 -8.292 430 2HG PRO 71 1HG PRO 71 4.453 5.692 -9.818 431 1HD PRO 71 2HD PRO 71 3.269 5.975 -7.209 432 2HD PRO 71 1HD PRO 71 2.463 5.605 -8.736 433 H SER 72 HN SER 72 6.167 1.758 -6.743 434 HA SER 72 HA SER 72 6.089 2.044 -4.048 435 1HB SER 72 2HB SER 72 7.473 0.337 -4.846 436 2HB SER 72 1HB SER 72 8.343 1.417 -5.932 437 HG SER 72 HG SER 72 9.752 1.557 -4.392 438 H SER 73 HN SER 73 7.428 4.294 -6.352 439 HA SER 73 HA SER 73 9.121 5.762 -4.677 440 1HB SER 73 2HB SER 73 7.646 6.323 -7.207 441 2HB SER 73 1HB SER 73 8.288 7.701 -6.313 442 HG SER 73 HG SER 73 9.835 6.959 -7.768 443 H THR 74 HN THR 74 5.638 5.741 -5.018 444 HA THR 74 HA THR 74 5.394 7.959 -3.113 445 HB THR 74 HB THR 74 3.434 8.501 -4.120 446 HG1 THR 74 1HG THR 74 1.900 7.127 -4.609 447 1HG2 THR 74 1HG2 THR 74 3.422 8.088 -6.517 448 2HG2 THR 74 2HG2 THR 74 4.690 6.886 -6.292 449 3HG2 THR 74 3HG2 THR 74 5.009 8.573 -5.933 450 H LEU 75 HN LEU 75 5.702 4.753 -2.898 451 HA LEU 75 HA LEU 75 3.874 4.560 -0.642 452 1HB LEU 75 2HB LEU 75 4.313 2.443 -2.730 453 2HB LEU 75 1HB LEU 75 3.362 2.257 -1.282 454 HG LEU 75 HG LEU 75 2.304 4.509 -2.585 455 1HD1 LEU 75 1HD1 LEU 75 2.782 4.237 -4.739 456 2HD1 LEU 75 2HD1 LEU 75 1.678 2.866 -4.705 457 3HD1 LEU 75 3HD1 LEU 75 3.409 2.609 -4.490 458 1HD2 LEU 75 1HD2 LEU 75 0.297 3.290 -2.593 459 2HD2 LEU 75 2HD2 LEU 75 1.198 2.660 -1.215 460 3HD2 LEU 75 3HD2 LEU 75 1.132 1.744 -2.719 461 H CYS 76 HN CYS 76 4.772 3.704 1.093 462 HA CYS 76 HA CYS 76 7.524 3.326 1.350 463 1HB CYS 76 2HB CYS 76 5.744 3.737 3.180 464 2HB CYS 76 1HB CYS 76 5.555 1.988 3.189 465 HG CYS 76 HG CYS 76 7.831 1.724 4.225 466 H ILE 77 HN ILE 77 8.824 1.705 0.794 467 HA ILE 77 HA ILE 77 7.697 -0.996 0.580 468 HB ILE 77 HB ILE 77 8.818 -1.437 -1.487 469 1HG1 ILE 77 2HG1 ILE 77 10.826 -0.012 -1.076 470 2HG1 ILE 77 1HG1 ILE 77 10.160 0.181 -2.693 471 1HG2 ILE 77 1HG2 ILE 77 7.333 -0.386 -2.846 472 2HG2 ILE 77 2HG2 ILE 77 7.643 1.202 -2.150 473 3HG2 ILE 77 3HG2 ILE 77 6.624 0.050 -1.292 474 1HD1 ILE 77 1HD1 ILE 77 10.448 2.117 -0.528 475 2HD1 ILE 77 2HD1 ILE 77 8.880 2.157 -1.334 476 3HD1 ILE 77 3HD1 ILE 77 10.359 2.361 -2.273 477 H SER 78 HN SER 78 9.681 -2.570 0.086 478 HA SER 78 HA SER 78 11.793 -1.892 2.028 479 1HB SER 78 2HB SER 78 11.895 -4.301 2.587 480 2HB SER 78 1HB SER 78 10.309 -3.612 2.930 481 HG SER 78 HG SER 78 9.579 -4.507 0.960 482 H HIS 79 HN HIS 79 11.049 -3.953 -0.778 483 HA HIS 79 HA HIS 79 12.301 -4.624 -2.550 484 1HB HIS 79 2HB HIS 79 13.211 -1.966 -1.933 485 2HB HIS 79 1HB HIS 79 14.569 -2.929 -2.502 486 HD1 HIS 79 1HD HIS 79 14.865 -2.224 -4.863 487 HD2 HIS 79 2HD HIS 79 10.878 -2.940 -3.936 488 HE1 HIS 79 1HE HIS 79 13.619 -2.000 -7.035 489 HE2 HIS 79 2HE HIS 79 11.222 -2.530 -6.466 490 H SER 80 HN SER 80 13.433 -6.439 -2.575 491 HA SER 80 HA SER 80 15.395 -6.926 -0.464 492 1HB SER 80 2HB SER 80 13.587 -8.598 -0.889 493 2HB SER 80 1HB SER 80 14.270 -8.872 -2.491 494 HG SER 80 HG SER 80 15.070 -10.408 -1.054 Start of MODEL 2 1 H SER 14 HN SER 14 3.131 -16.429 5.096 2 HA SER 14 HA SER 14 1.195 -15.489 3.298 3 1HB SER 14 2HB SER 14 1.073 -17.012 5.504 4 2HB SER 14 1HB SER 14 0.537 -15.481 6.197 5 HG SER 14 HG SER 14 -0.584 -16.731 3.907 6 H GLY 15 HN GLY 15 -0.374 -13.718 3.727 7 1HA GLY 15 2HA GLY 15 0.264 -11.546 5.420 8 2HA GLY 15 1HA GLY 15 0.889 -11.233 3.809 9 H GLY 16 HN GLY 16 -0.510 -10.736 2.149 10 1HA GLY 16 2HA GLY 16 -2.677 -10.604 1.157 11 2HA GLY 16 1HA GLY 16 -3.385 -10.738 2.760 12 H CYS 17 HN CYS 17 -2.385 -8.829 4.232 13 HA CYS 17 HA CYS 17 -2.518 -6.328 2.721 14 1HB CYS 17 2HB CYS 17 -3.863 -5.457 4.797 15 2HB CYS 17 1HB CYS 17 -4.692 -6.273 3.482 16 HG CYS 17 HG CYS 17 -4.682 -7.162 6.333 17 H GLU 18 HN GLU 18 -0.978 -4.948 3.273 18 HA GLU 18 HA GLU 18 0.291 -5.251 5.910 19 1HB GLU 18 2HB GLU 18 1.766 -6.260 4.253 20 2HB GLU 18 1HB GLU 18 1.712 -4.799 3.280 21 1HG GLU 18 2HG GLU 18 2.867 -3.565 4.998 22 2HG GLU 18 1HG GLU 18 2.829 -4.965 6.069 23 H LEU 19 HN LEU 19 1.081 -3.352 6.826 24 HA LEU 19 HA LEU 19 -0.342 -0.991 6.012 25 1HB LEU 19 2HB LEU 19 1.812 -0.791 8.031 26 2HB LEU 19 1HB LEU 19 0.243 -0.022 7.994 27 HG LEU 19 HG LEU 19 0.849 -2.857 8.806 28 1HD1 LEU 19 1HD1 LEU 19 -0.527 -1.814 10.831 29 2HD1 LEU 19 2HD1 LEU 19 0.204 -0.334 10.208 30 3HD1 LEU 19 3HD1 LEU 19 1.227 -1.682 10.706 31 1HD2 LEU 19 1HD2 LEU 19 -1.757 -1.503 8.197 32 2HD2 LEU 19 2HD2 LEU 19 -1.661 -2.842 9.340 33 3HD2 LEU 19 3HD2 LEU 19 -1.176 -3.079 7.661 34 H THR 20 HN THR 20 0.403 0.737 4.954 35 HA THR 20 HA THR 20 3.259 0.913 4.349 36 HB THR 20 HB THR 20 1.004 0.850 2.340 37 HG1 THR 20 1HG THR 20 1.972 -1.152 3.119 38 1HG2 THR 20 1HG2 THR 20 2.189 2.129 0.992 39 2HG2 THR 20 2HG2 THR 20 3.395 0.843 0.947 40 3HG2 THR 20 3HG2 THR 20 3.552 2.159 2.109 41 H VAL 21 HN VAL 21 4.017 2.975 3.872 42 HA VAL 21 HA VAL 21 2.120 5.171 4.365 43 HB VAL 21 HB VAL 21 4.283 6.442 4.990 44 1HG1 VAL 21 1HG1 VAL 21 2.447 5.791 6.536 45 2HG1 VAL 21 2HG1 VAL 21 4.035 5.866 7.299 46 3HG1 VAL 21 3HG1 VAL 21 3.330 4.305 6.881 47 1HG2 VAL 21 1HG2 VAL 21 6.072 5.095 5.932 48 2HG2 VAL 21 2HG2 VAL 21 5.852 4.722 4.222 49 3HG2 VAL 21 3HG2 VAL 21 5.233 3.620 5.453 50 H VAL 22 HN VAL 22 1.950 6.695 2.786 51 HA VAL 22 HA VAL 22 3.419 6.247 0.366 52 HB VAL 22 HB VAL 22 2.063 8.429 -0.283 53 1HG1 VAL 22 1HG1 VAL 22 0.710 7.046 -1.458 54 2HG1 VAL 22 2HG1 VAL 22 0.422 5.984 -0.079 55 3HG1 VAL 22 3HG1 VAL 22 1.949 5.896 -0.958 56 1HG2 VAL 22 1HG2 VAL 22 0.148 7.238 1.673 57 2HG2 VAL 22 2HG2 VAL 22 0.047 8.774 0.813 58 3HG2 VAL 22 3HG2 VAL 22 1.204 8.575 2.129 59 H LEU 23 HN LEU 23 5.130 7.275 -0.324 60 HA LEU 23 HA LEU 23 6.406 9.199 1.322 61 1HB LEU 23 2HB LEU 23 7.382 8.707 -1.441 62 2HB LEU 23 1HB LEU 23 8.291 8.896 0.045 63 HG LEU 23 HG LEU 23 6.838 6.435 -0.910 64 1HD1 LEU 23 1HD1 LEU 23 9.699 6.551 -0.092 65 2HD1 LEU 23 2HD1 LEU 23 9.231 7.178 -1.673 66 3HD1 LEU 23 3HD1 LEU 23 8.898 5.496 -1.257 67 1HD2 LEU 23 1HD2 LEU 23 6.405 6.359 1.372 68 2HD2 LEU 23 2HD2 LEU 23 7.936 7.130 1.789 69 3HD2 LEU 23 3HD2 LEU 23 7.914 5.458 1.226 70 H GLN 24 HN GLN 24 4.428 9.389 -1.552 71 HA GLN 24 HA GLN 24 4.632 12.287 -1.399 72 1HB GLN 24 2HB GLN 24 5.134 12.592 -3.656 73 2HB GLN 24 1HB GLN 24 6.167 11.269 -3.161 74 1HG GLN 24 2HG GLN 24 5.138 9.769 -4.453 75 2HG GLN 24 1HG GLN 24 3.570 10.561 -4.378 76 1HE2 GLN 24 1HE2 GLN 24 6.663 10.455 -5.950 77 2HE2 GLN 24 2HE2 GLN 24 6.241 11.448 -7.299 78 H ASP 25 HN ASP 25 2.777 13.409 -2.159 79 HA ASP 25 HA ASP 25 0.342 11.992 -1.761 80 1HB ASP 25 2HB ASP 25 -0.084 14.496 -3.179 81 2HB ASP 25 1HB ASP 25 -0.633 14.005 -1.598 82 H PHE 26 HN PHE 26 -1.256 11.525 -3.212 83 HA PHE 26 HA PHE 26 -0.706 11.749 -6.060 84 1HB PHE 26 2HB PHE 26 0.201 9.550 -5.301 85 2HB PHE 26 1HB PHE 26 -1.419 9.095 -4.828 86 HD1 PHE 26 1HD PHE 26 0.697 9.965 -7.710 87 HD2 PHE 26 2HD PHE 26 -3.022 8.365 -6.398 88 HE1 PHE 26 1HE PHE 26 0.233 9.185 -9.996 89 HE2 PHE 26 2HE PHE 26 -3.492 7.582 -8.681 90 HZ PHE 26 HZ PHE 26 -1.865 7.990 -10.483 91 H SER 27 HN SER 27 -2.550 11.459 -7.373 92 HA SER 27 HA SER 27 -5.082 11.474 -5.925 93 1HB SER 27 2HB SER 27 -5.656 12.910 -8.106 94 2HB SER 27 1HB SER 27 -5.044 13.648 -6.636 95 HG SER 27 HG SER 27 -3.752 13.158 -9.068 96 H ALA 28 HN ALA 28 -6.620 10.184 -6.785 97 HA ALA 28 HA ALA 28 -6.051 7.985 -8.221 98 1HB ALA 28 1HB ALA 28 -8.161 8.708 -6.905 99 2HB ALA 28 2HB ALA 28 -8.289 7.498 -8.179 100 3HB ALA 28 3HB ALA 28 -8.761 9.164 -8.494 101 H ALA 29 HN ALA 29 -7.550 7.409 -10.213 102 HA ALA 29 HA ALA 29 -8.004 9.073 -12.343 103 1HB ALA 29 1HB ALA 29 -5.755 9.764 -12.508 104 2HB ALA 29 2HB ALA 29 -5.961 8.558 -13.778 105 3HB ALA 29 3HB ALA 29 -5.148 8.124 -12.274 106 H HIS 30 HN HIS 30 -6.893 5.950 -11.200 107 HA HIS 30 HA HIS 30 -8.102 4.671 -13.541 108 1HB HIS 30 2HB HIS 30 -5.687 4.174 -12.322 109 2HB HIS 30 1HB HIS 30 -6.715 2.905 -11.666 110 HD1 HIS 30 1HD HIS 30 -7.395 1.019 -13.227 111 HD2 HIS 30 2HD HIS 30 -5.317 4.065 -15.143 112 HE1 HIS 30 1HE HIS 30 -6.853 0.127 -15.514 113 HE2 HIS 30 2HE HIS 30 -5.676 2.021 -16.687 114 H SER 31 HN SER 31 -8.917 2.370 -12.883 115 HA SER 31 HA SER 31 -11.408 2.484 -11.917 116 1HB SER 31 2HB SER 31 -10.660 0.473 -12.940 117 2HB SER 31 1HB SER 31 -9.452 0.201 -11.684 118 HG SER 31 HG SER 31 -12.058 -0.513 -11.739 119 H SER 32 HN SER 32 -9.141 0.810 -9.765 120 HA SER 32 HA SER 32 -10.660 1.846 -7.504 121 1HB SER 32 2HB SER 32 -9.158 0.150 -6.246 122 2HB SER 32 1HB SER 32 -10.409 -0.476 -7.320 123 HG SER 32 HG SER 32 -7.697 -0.093 -8.063 124 H GLU 33 HN GLU 33 -9.122 3.828 -8.673 125 HA GLU 33 HA GLU 33 -6.717 4.089 -7.056 126 1HB GLU 33 2HB GLU 33 -7.767 5.307 -9.540 127 2HB GLU 33 1HB GLU 33 -6.766 6.324 -8.528 128 1HG GLU 33 2HG GLU 33 -5.292 4.116 -8.550 129 2HG GLU 33 1HG GLU 33 -6.074 3.988 -10.118 130 H LEU 34 HN LEU 34 -6.332 6.042 -5.812 131 HA LEU 34 HA LEU 34 -8.581 7.761 -5.308 132 1HB LEU 34 2HB LEU 34 -8.080 7.305 -2.756 133 2HB LEU 34 1HB LEU 34 -9.310 6.452 -3.658 134 HG LEU 34 HG LEU 34 -7.477 4.645 -4.039 135 1HD1 LEU 34 1HD1 LEU 34 -6.061 4.648 -1.846 136 2HD1 LEU 34 2HD1 LEU 34 -6.283 6.396 -1.935 137 3HD1 LEU 34 3HD1 LEU 34 -5.504 5.536 -3.264 138 1HD2 LEU 34 1HD2 LEU 34 -7.995 3.808 -1.664 139 2HD2 LEU 34 2HD2 LEU 34 -9.358 4.115 -2.744 140 3HD2 LEU 34 3HD2 LEU 34 -8.933 5.288 -1.502 141 H SER 35 HN SER 35 -7.979 9.495 -3.742 142 HA SER 35 HA SER 35 -5.337 10.395 -4.368 143 1HB SER 35 2HB SER 35 -6.252 12.438 -3.003 144 2HB SER 35 1HB SER 35 -6.783 12.165 -4.659 145 HG SER 35 HG SER 35 -8.157 11.294 -2.331 146 H ILE 36 HN ILE 36 -3.712 10.278 -3.115 147 HA ILE 36 HA ILE 36 -4.092 9.867 -0.232 148 HB ILE 36 HB ILE 36 -1.764 8.691 -0.463 149 1HG1 ILE 36 2HG1 ILE 36 -1.711 9.261 -2.951 150 2HG1 ILE 36 1HG1 ILE 36 -1.304 7.613 -2.518 151 1HG2 ILE 36 1HG2 ILE 36 -2.841 6.578 -0.455 152 2HG2 ILE 36 2HG2 ILE 36 -4.217 7.201 -1.365 153 3HG2 ILE 36 3HG2 ILE 36 -3.950 7.725 0.297 154 1HD1 ILE 36 1HD1 ILE 36 -3.259 8.540 -4.334 155 2HD1 ILE 36 2HD1 ILE 36 -4.086 7.713 -3.015 156 3HD1 ILE 36 3HD1 ILE 36 -2.829 6.879 -3.929 157 H GLN 37 HN GLN 37 -2.161 10.505 1.029 158 HA GLN 37 HA GLN 37 -0.728 12.747 -0.152 159 1HB GLN 37 2HB GLN 37 -2.472 12.635 2.227 160 2HB GLN 37 1HB GLN 37 -0.997 13.560 2.388 161 1HG GLN 37 2HG GLN 37 -1.826 15.251 1.215 162 2HG GLN 37 1HG GLN 37 -2.336 14.177 -0.086 163 1HE2 GLN 37 1HE2 GLN 37 -3.303 14.544 3.310 164 2HE2 GLN 37 2HE2 GLN 37 -4.989 14.743 2.987 165 H VAL 38 HN VAL 38 1.293 13.201 0.661 166 HA VAL 38 HA VAL 38 2.903 11.018 1.384 167 HB VAL 38 HB VAL 38 3.843 12.906 0.235 168 1HG1 VAL 38 1HG1 VAL 38 3.023 14.918 0.680 169 2HG1 VAL 38 2HG1 VAL 38 4.144 14.972 2.040 170 3HG1 VAL 38 3HG1 VAL 38 2.484 14.431 2.286 171 1HG2 VAL 38 1HG2 VAL 38 5.225 11.616 1.992 172 2HG2 VAL 38 2HG2 VAL 38 5.120 13.100 2.940 173 3HG2 VAL 38 3HG2 VAL 38 5.879 13.123 1.348 174 H GLY 39 HN GLY 39 3.437 10.153 3.327 175 1HA GLY 39 2HA GLY 39 4.098 10.364 5.598 176 2HA GLY 39 1HA GLY 39 3.086 11.781 5.740 177 H GLN 40 HN GLN 40 0.823 10.262 4.441 178 HA GLN 40 HA GLN 40 -0.295 9.334 6.846 179 1HB GLN 40 2HB GLN 40 -2.270 9.030 5.678 180 2HB GLN 40 1HB GLN 40 -1.513 10.407 4.941 181 1HG GLN 40 2HG GLN 40 -0.678 8.942 3.173 182 2HG GLN 40 1HG GLN 40 -1.565 7.612 3.898 183 1HE2 GLN 40 1HE2 GLN 40 -3.376 7.190 2.881 184 2HE2 GLN 40 2HE2 GLN 40 -4.416 8.342 2.126 185 H THR 41 HN THR 41 -1.455 7.213 6.957 186 HA THR 41 HA THR 41 0.307 5.087 5.922 187 HB THR 41 HB THR 41 -0.963 5.281 8.649 188 HG1 THR 41 1HG THR 41 1.016 5.558 9.278 189 1HG2 THR 41 1HG2 THR 41 0.039 2.837 7.223 190 2HG2 THR 41 2HG2 THR 41 -1.405 3.033 8.214 191 3HG2 THR 41 3HG2 THR 41 0.185 2.978 8.976 192 H VAL 42 HN VAL 42 -0.648 3.873 4.529 193 HA VAL 42 HA VAL 42 -3.298 2.877 5.129 194 HB VAL 42 HB VAL 42 -2.646 4.553 2.791 195 1HG1 VAL 42 1HG1 VAL 42 -4.417 3.227 1.456 196 2HG1 VAL 42 2HG1 VAL 42 -3.928 1.903 2.499 197 3HG1 VAL 42 3HG1 VAL 42 -2.750 2.661 1.478 198 1HG2 VAL 42 1HG2 VAL 42 -5.072 4.932 2.838 199 2HG2 VAL 42 2HG2 VAL 42 -4.340 5.186 4.422 200 3HG2 VAL 42 3HG2 VAL 42 -5.231 3.701 4.090 201 H GLU 43 HN GLU 43 -3.486 0.790 4.742 202 HA GLU 43 HA GLU 43 -1.094 -0.654 4.321 203 1HB GLU 43 2HB GLU 43 -2.421 -2.629 4.812 204 2HB GLU 43 1HB GLU 43 -2.799 -1.345 5.952 205 1HG GLU 43 2HG GLU 43 -4.805 -0.797 4.629 206 2HG GLU 43 1HG GLU 43 -4.438 -2.140 3.550 207 H LEU 44 HN LEU 44 -0.308 -1.587 2.538 208 HA LEU 44 HA LEU 44 -1.619 -1.241 0.065 209 1HB LEU 44 2HB LEU 44 0.238 -2.613 -0.843 210 2HB LEU 44 1HB LEU 44 0.706 -1.159 -0.024 211 HG LEU 44 HG LEU 44 1.213 -2.620 1.999 212 1HD1 LEU 44 1HD1 LEU 44 1.780 -5.035 0.885 213 2HD1 LEU 44 2HD1 LEU 44 0.265 -4.624 0.082 214 3HD1 LEU 44 3HD1 LEU 44 0.344 -4.680 1.840 215 1HD2 LEU 44 1HD2 LEU 44 3.373 -3.298 1.144 216 2HD2 LEU 44 2HD2 LEU 44 2.942 -1.710 0.507 217 3HD2 LEU 44 3HD2 LEU 44 2.791 -3.140 -0.514 218 H LEU 45 HN LEU 45 -2.344 -2.687 -1.362 219 HA LEU 45 HA LEU 45 -3.863 -4.842 -0.260 220 1HB LEU 45 2HB LEU 45 -3.462 -4.385 -3.196 221 2HB LEU 45 1HB LEU 45 -4.838 -5.087 -2.387 222 HG LEU 45 HG LEU 45 -4.159 -2.189 -1.947 223 1HD1 LEU 45 1HD1 LEU 45 -6.088 -2.018 -3.802 224 2HD1 LEU 45 2HD1 LEU 45 -5.268 -3.462 -4.391 225 3HD1 LEU 45 3HD1 LEU 45 -4.378 -1.955 -4.213 226 1HD2 LEU 45 1HD2 LEU 45 -6.527 -2.032 -1.529 227 2HD2 LEU 45 2HD2 LEU 45 -5.817 -3.283 -0.514 228 3HD2 LEU 45 3HD2 LEU 45 -6.748 -3.728 -1.946 229 H GLU 46 HN GLU 46 -1.214 -4.732 -2.692 230 HA GLU 46 HA GLU 46 -0.558 -7.450 -1.884 231 1HB GLU 46 2HB GLU 46 -0.319 -8.143 -4.111 232 2HB GLU 46 1HB GLU 46 -1.836 -7.278 -4.067 233 1HG GLU 46 2HG GLU 46 -0.516 -5.272 -4.916 234 2HG GLU 46 1HG GLU 46 0.778 -6.418 -5.254 235 H ARG 47 HN ARG 47 1.621 -7.568 -3.819 236 HA ARG 47 HA ARG 47 3.477 -5.595 -2.674 237 1HB ARG 47 2HB ARG 47 3.703 -8.568 -2.849 238 2HB ARG 47 1HB ARG 47 5.162 -7.593 -2.958 239 1HG ARG 47 2HG ARG 47 3.370 -6.917 -0.728 240 2HG ARG 47 1HG ARG 47 4.111 -8.516 -0.648 241 1HD ARG 47 2HD ARG 47 5.576 -5.902 -1.003 242 2HD ARG 47 1HD ARG 47 5.473 -6.832 0.492 243 HE ARG 47 HE ARG 47 6.528 -8.373 -1.667 244 1HH1 ARG 47 1HH1 ARG 47 7.376 -5.983 0.745 245 2HH1 ARG 47 2HH1 ARG 47 9.047 -6.432 0.774 246 1HH2 ARG 47 1HH2 ARG 47 8.725 -8.956 -1.621 247 2HH2 ARG 47 2HH2 ARG 47 9.813 -8.116 -0.566 248 HA PRO 48 HA PRO 48 5.037 -5.110 -6.792 249 1HB PRO 48 2HB PRO 48 7.756 -4.684 -6.103 250 2HB PRO 48 1HB PRO 48 6.489 -3.471 -6.269 251 1HG PRO 48 2HG PRO 48 7.770 -4.170 -3.894 252 2HG PRO 48 1HG PRO 48 6.248 -3.274 -4.025 253 1HD PRO 48 2HD PRO 48 6.706 -6.168 -3.453 254 2HD PRO 48 1HD PRO 48 5.459 -5.071 -2.818 255 H SER 49 HN SER 49 5.374 -7.970 -5.556 256 HA SER 49 HA SER 49 7.738 -9.053 -6.607 257 1HB SER 49 2HB SER 49 5.160 -10.145 -5.634 258 2HB SER 49 1HB SER 49 6.174 -11.203 -6.616 259 HG SER 49 HG SER 49 7.412 -11.460 -4.950 260 H GLU 50 HN GLU 50 4.493 -8.872 -7.874 261 HA GLU 50 HA GLU 50 5.132 -10.070 -10.373 262 1HB GLU 50 2HB GLU 50 2.854 -9.674 -10.907 263 2HB GLU 50 1HB GLU 50 2.913 -10.150 -9.228 264 1HG GLU 50 2HG GLU 50 2.774 -7.795 -8.580 265 2HG GLU 50 1HG GLU 50 2.615 -7.364 -10.282 266 H ARG 51 HN ARG 51 4.696 -6.861 -9.115 267 HA ARG 51 HA ARG 51 5.729 -5.740 -11.638 268 1HB ARG 51 2HB ARG 51 3.345 -5.060 -10.110 269 2HB ARG 51 1HB ARG 51 4.385 -3.663 -10.354 270 1HG ARG 51 2HG ARG 51 2.768 -3.780 -12.116 271 2HG ARG 51 1HG ARG 51 4.374 -4.103 -12.770 272 1HD ARG 51 2HD ARG 51 3.564 -6.611 -12.161 273 2HD ARG 51 1HD ARG 51 2.020 -5.860 -12.561 274 HE ARG 51 HE ARG 51 3.852 -5.195 -14.560 275 1HH1 ARG 51 1HH1 ARG 51 2.213 -8.032 -13.334 276 2HH1 ARG 51 2HH1 ARG 51 2.226 -8.846 -14.862 277 1HH2 ARG 51 1HH2 ARG 51 3.865 -6.272 -16.562 278 2HH2 ARG 51 2HH2 ARG 51 3.162 -7.850 -16.691 279 HA PRO 52 HA PRO 52 8.737 -4.227 -8.660 280 1HB PRO 52 2HB PRO 52 10.750 -3.777 -10.356 281 2HB PRO 52 1HB PRO 52 10.234 -5.423 -9.970 282 1HG PRO 52 2HG PRO 52 9.778 -3.828 -12.430 283 2HG PRO 52 1HG PRO 52 9.939 -5.580 -12.238 284 1HD PRO 52 2HD PRO 52 7.531 -4.079 -12.462 285 2HD PRO 52 1HD PRO 52 7.689 -5.812 -12.118 286 H GLY 53 HN GLY 53 8.310 -2.289 -7.833 287 1HA GLY 53 2HA GLY 53 9.083 0.021 -7.895 288 2HA GLY 53 1HA GLY 53 8.651 0.052 -9.592 289 H TRP 54 HN TRP 54 6.234 -1.598 -8.242 290 HA TRP 54 HA TRP 54 4.639 0.772 -7.819 291 1HB TRP 54 2HB TRP 54 2.932 -0.183 -8.966 292 2HB TRP 54 1HB TRP 54 4.293 -0.896 -9.784 293 HD1 TRP 54 1HD TRP 54 4.867 -3.227 -7.624 294 HE1 TRP 54 1HE TRP 54 3.223 -5.223 -7.505 295 HE3 TRP 54 3HE TRP 54 0.844 -1.019 -9.756 296 HZ2 TRP 54 2HZ TRP 54 0.537 -5.758 -8.243 297 HZ3 TRP 54 3HZ TRP 54 -1.246 -2.313 -10.029 298 HH2 TRP 54 2HH TRP 54 -1.391 -4.636 -9.279 299 H CYS 55 HN CYS 55 2.713 0.577 -6.475 300 HA CYS 55 HA CYS 55 2.535 -1.524 -4.542 301 1HB CYS 55 2HB CYS 55 4.289 0.356 -3.768 302 2HB CYS 55 1HB CYS 55 2.818 1.029 -3.108 303 HG CYS 55 HG CYS 55 4.258 -1.471 -2.113 304 H LEU 56 HN LEU 56 0.717 -1.348 -3.175 305 HA LEU 56 HA LEU 56 -1.389 0.351 -4.319 306 1HB LEU 56 2HB LEU 56 -1.313 -2.418 -3.227 307 2HB LEU 56 1HB LEU 56 -2.810 -1.530 -3.251 308 HG LEU 56 HG LEU 56 -2.932 -1.521 -5.582 309 1HD1 LEU 56 1HD1 LEU 56 0.021 -2.170 -5.593 310 2HD1 LEU 56 2HD1 LEU 56 -0.754 -0.691 -6.161 311 3HD1 LEU 56 3HD1 LEU 56 -0.998 -2.205 -7.032 312 1HD2 LEU 56 1HD2 LEU 56 -3.467 -3.688 -5.230 313 2HD2 LEU 56 2HD2 LEU 56 -1.952 -4.039 -4.404 314 3HD2 LEU 56 3HD2 LEU 56 -1.997 -3.959 -6.163 315 H VAL 57 HN VAL 57 -3.176 1.012 -2.851 316 HA VAL 57 HA VAL 57 -2.330 1.155 -0.032 317 HB VAL 57 HB VAL 57 -3.449 3.562 -0.211 318 1HG1 VAL 57 1HG1 VAL 57 -0.728 2.558 -0.345 319 2HG1 VAL 57 2HG1 VAL 57 -1.411 3.852 0.638 320 3HG1 VAL 57 3HG1 VAL 57 -0.892 4.181 -1.014 321 1HG2 VAL 57 1HG2 VAL 57 -3.620 3.001 -2.809 322 2HG2 VAL 57 2HG2 VAL 57 -2.011 3.724 -2.776 323 3HG2 VAL 57 3HG2 VAL 57 -3.401 4.637 -2.187 324 H ARG 58 HN ARG 58 -3.904 0.418 1.278 325 HA ARG 58 HA ARG 58 -6.715 0.773 0.477 326 1HB ARG 58 2HB ARG 58 -6.314 -1.548 0.365 327 2HB ARG 58 1HB ARG 58 -5.385 -1.560 1.838 328 1HG ARG 58 2HG ARG 58 -7.204 -2.251 2.891 329 2HG ARG 58 1HG ARG 58 -7.916 -0.667 2.604 330 1HD ARG 58 2HD ARG 58 -8.039 -2.661 0.415 331 2HD ARG 58 1HD ARG 58 -9.092 -2.886 1.814 332 HE ARG 58 HE ARG 58 -9.102 -0.231 0.637 333 1HH1 ARG 58 1HH1 ARG 58 -10.623 -3.407 0.737 334 2HH1 ARG 58 2HH1 ARG 58 -12.140 -2.834 0.138 335 1HH2 ARG 58 1HH2 ARG 58 -11.135 0.480 -0.169 336 2HH2 ARG 58 2HH2 ARG 58 -12.428 -0.645 -0.374 337 H THR 59 HN THR 59 -8.116 1.668 2.053 338 HA THR 59 HA THR 59 -6.876 2.172 4.687 339 HB THR 59 HB THR 59 -7.166 4.228 3.413 340 HG1 THR 59 1HG THR 59 -8.345 5.341 4.983 341 1HG2 THR 59 1HG2 THR 59 -10.115 3.675 3.441 342 2HG2 THR 59 2HG2 THR 59 -9.070 3.515 2.031 343 3HG2 THR 59 3HG2 THR 59 -9.297 5.092 2.783 344 H THR 60 HN THR 60 -7.904 1.460 6.414 345 HA THR 60 HA THR 60 -10.620 0.380 6.069 346 HB THR 60 HB THR 60 -9.837 -1.073 8.117 347 HG1 THR 60 1HG THR 60 -7.665 -1.437 8.167 348 1HG2 THR 60 1HG2 THR 60 -10.413 -2.209 6.148 349 2HG2 THR 60 2HG2 THR 60 -8.776 -2.736 6.540 350 3HG2 THR 60 3HG2 THR 60 -9.038 -1.545 5.267 351 H GLU 61 HN GLU 61 -8.711 2.664 7.754 352 HA GLU 61 HA GLU 61 -10.471 2.756 10.055 353 1HB GLU 61 2HB GLU 61 -7.995 4.270 9.273 354 2HB GLU 61 1HB GLU 61 -8.989 4.780 10.630 355 1HG GLU 61 2HG GLU 61 -7.440 3.493 11.698 356 2HG GLU 61 1HG GLU 61 -8.696 2.296 11.390 357 H ARG 62 HN ARG 62 -11.170 3.522 7.141 358 HA ARG 62 HA ARG 62 -12.699 5.874 7.837 359 1HB ARG 62 2HB ARG 62 -10.982 6.951 6.675 360 2HB ARG 62 1HB ARG 62 -10.701 5.582 5.615 361 1HG ARG 62 2HG ARG 62 -12.210 6.262 4.110 362 2HG ARG 62 1HG ARG 62 -13.322 6.871 5.337 363 1HD ARG 62 2HD ARG 62 -10.812 8.376 5.100 364 2HD ARG 62 1HD ARG 62 -11.835 8.430 3.665 365 HE ARG 62 HE ARG 62 -12.358 9.646 6.223 366 1HH1 ARG 62 1HH1 ARG 62 -13.788 8.500 3.243 367 2HH1 ARG 62 2HH1 ARG 62 -15.187 9.509 3.387 368 1HH2 ARG 62 1HH2 ARG 62 -14.199 10.967 6.403 369 2HH2 ARG 62 2HH2 ARG 62 -15.420 10.908 5.177 370 H SER 63 HN SER 63 -14.565 4.703 7.891 371 HA SER 63 HA SER 63 -15.187 2.768 5.860 372 1HB SER 63 2HB SER 63 -15.946 2.275 8.075 373 2HB SER 63 1HB SER 63 -16.758 3.835 8.207 374 HG SER 63 HG SER 63 -17.449 1.685 6.489 375 HA PRO 64 HA PRO 64 -16.402 1.924 4.412 376 1HB PRO 64 2HB PRO 64 -16.601 1.940 1.736 377 2HB PRO 64 1HB PRO 64 -18.032 1.991 2.772 378 1HG PRO 64 2HG PRO 64 -16.650 4.227 1.340 379 2HG PRO 64 1HG PRO 64 -18.384 3.898 1.492 380 1HD PRO 64 2HD PRO 64 -17.048 5.724 3.028 381 2HD PRO 64 1HD PRO 64 -18.515 4.879 3.558 382 HA PRO 65 HA PRO 65 -11.991 1.982 3.734 383 1HB PRO 65 2HB PRO 65 -12.528 -0.369 1.981 384 2HB PRO 65 1HB PRO 65 -11.351 -0.184 3.284 385 1HG PRO 65 2HG PRO 65 -13.583 -1.582 3.667 386 2HG PRO 65 1HG PRO 65 -12.935 -0.536 4.943 387 1HD PRO 65 2HD PRO 65 -15.281 -0.115 3.155 388 2HD PRO 65 1HD PRO 65 -15.033 0.401 4.835 389 H GLN 66 HN GLN 66 -10.412 2.060 1.966 390 HA GLN 66 HA GLN 66 -11.476 2.695 -0.633 391 1HB GLN 66 2HB GLN 66 -10.896 4.662 1.243 392 2HB GLN 66 1HB GLN 66 -9.490 4.646 0.192 393 1HG GLN 66 2HG GLN 66 -11.131 4.766 -1.732 394 2HG GLN 66 1HG GLN 66 -12.353 5.136 -0.517 395 1HE2 GLN 66 1HE2 GLN 66 -11.077 6.695 -2.767 396 2HE2 GLN 66 2HE2 GLN 66 -10.579 8.177 -2.031 397 H GLU 67 HN GLU 67 -10.172 1.882 -2.200 398 HA GLU 67 HA GLU 67 -7.473 1.093 -1.368 399 1HB GLU 67 2HB GLU 67 -7.870 -0.476 -3.550 400 2HB GLU 67 1HB GLU 67 -8.096 -0.971 -1.891 401 1HG GLU 67 2HG GLU 67 -10.353 -1.018 -2.060 402 2HG GLU 67 1HG GLU 67 -10.401 0.269 -3.258 403 H GLY 68 HN GLY 68 -5.793 1.280 -2.790 404 1HA GLY 68 2HA GLY 68 -6.308 2.913 -5.202 405 2HA GLY 68 1HA GLY 68 -5.256 3.563 -3.974 406 H LEU 69 HN LEU 69 -4.160 3.575 -6.238 407 HA LEU 69 HA LEU 69 -2.136 1.502 -6.127 408 1HB LEU 69 2HB LEU 69 -4.039 1.886 -8.360 409 2HB LEU 69 1HB LEU 69 -2.360 1.619 -8.796 410 HG LEU 69 HG LEU 69 -2.587 -0.370 -7.097 411 1HD1 LEU 69 1HD1 LEU 69 -4.630 -1.052 -6.522 412 2HD1 LEU 69 2HD1 LEU 69 -5.271 -0.785 -8.143 413 3HD1 LEU 69 3HD1 LEU 69 -5.169 0.557 -7.003 414 1HD2 LEU 69 1HD2 LEU 69 -2.951 -1.836 -8.942 415 2HD2 LEU 69 2HD2 LEU 69 -2.035 -0.445 -9.524 416 3HD2 LEU 69 3HD2 LEU 69 -3.763 -0.565 -9.857 417 H VAL 70 HN VAL 70 -0.177 2.248 -6.464 418 HA VAL 70 HA VAL 70 0.398 4.509 -8.135 419 HB VAL 70 HB VAL 70 1.720 5.493 -5.989 420 1HG1 VAL 70 1HG1 VAL 70 -1.117 6.328 -6.457 421 2HG1 VAL 70 2HG1 VAL 70 0.127 6.567 -7.685 422 3HG1 VAL 70 3HG1 VAL 70 0.294 7.325 -6.101 423 1HG2 VAL 70 1HG2 VAL 70 0.762 5.198 -3.975 424 2HG2 VAL 70 2HG2 VAL 70 0.118 3.722 -4.691 425 3HG2 VAL 70 3HG2 VAL 70 -0.872 5.179 -4.638 426 HA PRO 71 HA PRO 71 4.204 2.368 -7.945 427 1HB PRO 71 2HB PRO 71 6.101 4.208 -8.470 428 2HB PRO 71 1HB PRO 71 4.970 3.591 -9.678 429 1HG PRO 71 2HG PRO 71 5.062 6.236 -8.415 430 2HG PRO 71 1HG PRO 71 4.195 5.722 -9.870 431 1HD PRO 71 2HD PRO 71 3.171 6.079 -7.186 432 2HD PRO 71 1HD PRO 71 2.276 5.699 -8.663 433 H SER 72 HN SER 72 6.013 1.835 -6.756 434 HA SER 72 HA SER 72 5.960 2.177 -4.060 435 1HB SER 72 2HB SER 72 7.250 0.418 -5.254 436 2HB SER 72 1HB SER 72 8.455 1.632 -5.686 437 HG SER 72 HG SER 72 8.590 0.214 -3.611 438 H SER 73 HN SER 73 7.337 4.307 -6.442 439 HA SER 73 HA SER 73 9.135 5.748 -4.857 440 1HB SER 73 2HB SER 73 9.053 6.024 -7.283 441 2HB SER 73 1HB SER 73 7.428 6.701 -7.172 442 HG SER 73 HG SER 73 9.885 7.829 -6.401 443 H THR 74 HN THR 74 5.632 5.889 -5.149 444 HA THR 74 HA THR 74 5.519 8.170 -3.326 445 HB THR 74 HB THR 74 3.418 8.591 -4.148 446 HG1 THR 74 1HG THR 74 2.330 6.752 -3.714 447 1HG2 THR 74 1HG2 THR 74 4.878 8.780 -6.043 448 2HG2 THR 74 2HG2 THR 74 3.304 8.171 -6.546 449 3HG2 THR 74 3HG2 THR 74 4.670 7.070 -6.391 450 H LEU 75 HN LEU 75 5.554 4.858 -3.178 451 HA LEU 75 HA LEU 75 3.968 4.802 -0.741 452 1HB LEU 75 2HB LEU 75 4.489 2.606 -2.737 453 2HB LEU 75 1HB LEU 75 3.590 2.422 -1.244 454 HG LEU 75 HG LEU 75 2.401 4.576 -2.624 455 1HD1 LEU 75 1HD1 LEU 75 2.668 4.176 -4.796 456 2HD1 LEU 75 2HD1 LEU 75 1.787 2.666 -4.583 457 3HD1 LEU 75 3HD1 LEU 75 3.544 2.681 -4.472 458 1HD2 LEU 75 1HD2 LEU 75 1.643 1.849 -1.746 459 2HD2 LEU 75 2HD2 LEU 75 0.601 2.625 -2.938 460 3HD2 LEU 75 3HD2 LEU 75 0.905 3.409 -1.390 461 H CYS 76 HN CYS 76 4.707 2.615 0.397 462 HA CYS 76 HA CYS 76 7.193 3.137 1.559 463 1HB CYS 76 2HB CYS 76 5.432 1.872 2.707 464 2HB CYS 76 1HB CYS 76 5.625 0.549 1.563 465 HG CYS 76 HG CYS 76 7.406 1.106 3.972 466 H ILE 77 HN ILE 77 9.200 2.716 0.928 467 HA ILE 77 HA ILE 77 9.602 0.797 -1.269 468 HB ILE 77 HB ILE 77 11.739 1.995 -1.682 469 1HG1 ILE 77 2HG1 ILE 77 10.764 4.273 -0.014 470 2HG1 ILE 77 1HG1 ILE 77 11.599 2.948 0.790 471 1HG2 ILE 77 1HG2 ILE 77 10.016 2.610 -3.124 472 2HG2 ILE 77 2HG2 ILE 77 10.597 4.151 -2.492 473 3HG2 ILE 77 3HG2 ILE 77 9.118 3.436 -1.851 474 1HD1 ILE 77 1HD1 ILE 77 13.506 3.282 -0.747 475 2HD1 ILE 77 2HD1 ILE 77 13.168 4.680 0.275 476 3HD1 ILE 77 3HD1 ILE 77 12.672 4.684 -1.418 477 H SER 78 HN SER 78 12.086 0.078 -1.217 478 HA SER 78 HA SER 78 12.339 -1.465 1.214 479 1HB SER 78 2HB SER 78 13.989 -2.731 0.067 480 2HB SER 78 1HB SER 78 12.766 -2.346 -1.144 481 HG SER 78 HG SER 78 14.594 -1.787 -2.139 482 H HIS 79 HN HIS 79 15.012 -1.766 1.572 483 HA HIS 79 HA HIS 79 15.689 0.493 3.118 484 1HB HIS 79 2HB HIS 79 16.517 -2.084 3.085 485 2HB HIS 79 1HB HIS 79 17.888 -1.311 2.295 486 HD1 HIS 79 1HD HIS 79 16.118 -1.545 5.576 487 HD2 HIS 79 2HD HIS 79 19.434 0.351 3.941 488 HE1 HIS 79 1HE HIS 79 17.408 -0.640 7.535 489 HE2 HIS 79 2HE HIS 79 19.362 0.581 6.517 490 H SER 80 HN SER 80 16.873 2.265 2.698 491 HA SER 80 HA SER 80 17.329 3.104 0.068 492 1HB SER 80 2HB SER 80 18.458 4.114 2.685 493 2HB SER 80 1HB SER 80 18.691 4.934 1.141 494 HG SER 80 HG SER 80 16.836 5.823 1.526 Start of MODEL 3 1 H SER 14 HN SER 14 1.909 -16.569 2.522 2 HA SER 14 HA SER 14 2.868 -14.564 2.998 3 1HB SER 14 2HB SER 14 4.744 -15.826 1.625 4 2HB SER 14 1HB SER 14 4.401 -14.575 0.430 5 HG SER 14 HG SER 14 6.040 -14.258 2.290 6 H GLY 15 HN GLY 15 1.571 -12.855 2.916 7 1HA GLY 15 2HA GLY 15 1.471 -10.959 0.973 8 2HA GLY 15 1HA GLY 15 0.222 -12.095 0.484 9 H GLY 16 HN GLY 16 -1.649 -11.094 0.914 10 1HA GLY 16 2HA GLY 16 -3.406 -10.553 2.360 11 2HA GLY 16 1HA GLY 16 -2.266 -10.520 3.697 12 H CYS 17 HN CYS 17 -2.208 -8.576 4.586 13 HA CYS 17 HA CYS 17 -2.020 -6.234 2.845 14 1HB CYS 17 2HB CYS 17 -3.378 -5.027 4.694 15 2HB CYS 17 1HB CYS 17 -4.239 -5.997 3.509 16 HG CYS 17 HG CYS 17 -4.943 -6.386 6.119 17 H GLU 18 HN GLU 18 -0.508 -4.808 3.427 18 HA GLU 18 HA GLU 18 0.735 -5.108 6.076 19 1HB GLU 18 2HB GLU 18 2.195 -6.159 4.437 20 2HB GLU 18 1HB GLU 18 2.171 -4.709 3.447 21 1HG GLU 18 2HG GLU 18 3.524 -3.534 4.911 22 2HG GLU 18 1HG GLU 18 3.146 -4.593 6.267 23 H LEU 19 HN LEU 19 1.552 -3.215 6.983 24 HA LEU 19 HA LEU 19 0.183 -0.841 6.118 25 1HB LEU 19 2HB LEU 19 2.263 -0.582 8.187 26 2HB LEU 19 1HB LEU 19 0.658 0.104 8.120 27 HG LEU 19 HG LEU 19 1.403 -2.686 8.966 28 1HD1 LEU 19 1HD1 LEU 19 -0.101 -0.578 10.485 29 2HD1 LEU 19 2HD1 LEU 19 1.654 -0.738 10.559 30 3HD1 LEU 19 3HD1 LEU 19 0.624 -2.063 11.100 31 1HD2 LEU 19 1HD2 LEU 19 -1.246 -1.502 8.237 32 2HD2 LEU 19 2HD2 LEU 19 -1.135 -2.766 9.461 33 3HD2 LEU 19 3HD2 LEU 19 -0.575 -3.078 7.818 34 H THR 20 HN THR 20 0.912 0.773 4.976 35 HA THR 20 HA THR 20 3.784 1.116 4.562 36 HB THR 20 HB THR 20 3.118 -0.238 2.679 37 HG1 THR 20 1HG THR 20 3.992 1.020 1.202 38 1HG2 THR 20 1HG2 THR 20 0.978 1.806 2.159 39 2HG2 THR 20 2HG2 THR 20 0.742 0.117 2.607 40 3HG2 THR 20 3HG2 THR 20 1.455 0.526 1.047 41 H VAL 21 HN VAL 21 4.419 3.209 4.084 42 HA VAL 21 HA VAL 21 2.328 5.248 4.415 43 HB VAL 21 HB VAL 21 4.361 6.733 4.974 44 1HG1 VAL 21 1HG1 VAL 21 3.632 4.571 6.937 45 2HG1 VAL 21 2HG1 VAL 21 2.622 5.970 6.570 46 3HG1 VAL 21 3HG1 VAL 21 4.208 6.197 7.306 47 1HG2 VAL 21 1HG2 VAL 21 5.844 4.615 4.264 48 2HG2 VAL 21 2HG2 VAL 21 5.720 4.323 5.999 49 3HG2 VAL 21 3HG2 VAL 21 6.392 5.843 5.406 50 H VAL 22 HN VAL 22 2.211 6.940 2.939 51 HA VAL 22 HA VAL 22 3.528 6.413 0.442 52 HB VAL 22 HB VAL 22 2.165 8.597 -0.175 53 1HG1 VAL 22 1HG1 VAL 22 1.656 6.787 -1.428 54 2HG1 VAL 22 2HG1 VAL 22 0.171 6.912 -0.484 55 3HG1 VAL 22 3HG1 VAL 22 1.416 5.751 -0.022 56 1HG2 VAL 22 1HG2 VAL 22 0.371 7.452 1.925 57 2HG2 VAL 22 2HG2 VAL 22 0.175 8.939 0.998 58 3HG2 VAL 22 3HG2 VAL 22 1.420 8.835 2.242 59 H LEU 23 HN LEU 23 5.276 7.377 -0.261 60 HA LEU 23 HA LEU 23 6.567 9.353 1.304 61 1HB LEU 23 2HB LEU 23 7.528 8.759 -1.445 62 2HB LEU 23 1HB LEU 23 8.445 9.005 0.027 63 HG LEU 23 HG LEU 23 6.977 6.511 -0.815 64 1HD1 LEU 23 1HD1 LEU 23 9.076 6.652 -1.888 65 2HD1 LEU 23 2HD1 LEU 23 9.291 5.553 -0.527 66 3HD1 LEU 23 3HD1 LEU 23 9.872 7.214 -0.418 67 1HD2 LEU 23 1HD2 LEU 23 7.916 7.404 1.849 68 2HD2 LEU 23 2HD2 LEU 23 8.256 5.734 1.395 69 3HD2 LEU 23 3HD2 LEU 23 6.593 6.321 1.414 70 H GLN 24 HN GLN 24 4.505 9.480 -1.494 71 HA GLN 24 HA GLN 24 4.773 12.374 -1.464 72 1HB GLN 24 2HB GLN 24 5.207 12.580 -3.751 73 2HB GLN 24 1HB GLN 24 6.248 11.280 -3.219 74 1HG GLN 24 2HG GLN 24 5.195 9.732 -4.423 75 2HG GLN 24 1HG GLN 24 3.624 10.513 -4.325 76 1HE2 GLN 24 1HE2 GLN 24 6.755 10.586 -5.897 77 2HE2 GLN 24 2HE2 GLN 24 6.239 11.435 -7.310 78 H ASP 25 HN ASP 25 2.918 13.501 -2.218 79 HA ASP 25 HA ASP 25 0.471 12.150 -1.705 80 1HB ASP 25 2HB ASP 25 0.042 14.590 -3.225 81 2HB ASP 25 1HB ASP 25 -0.464 14.183 -1.606 82 H PHE 26 HN PHE 26 -1.172 11.640 -3.107 83 HA PHE 26 HA PHE 26 -0.666 11.733 -5.969 84 1HB PHE 26 2HB PHE 26 0.217 9.546 -5.075 85 2HB PHE 26 1HB PHE 26 -1.433 9.129 -4.669 86 HD1 PHE 26 1HD PHE 26 -3.013 8.479 -6.337 87 HD2 PHE 26 2HD PHE 26 0.878 9.812 -7.432 88 HE1 PHE 26 1HE PHE 26 -3.370 7.655 -8.626 89 HE2 PHE 26 2HE PHE 26 0.525 8.987 -9.721 90 HZ PHE 26 HZ PHE 26 -1.604 7.907 -10.320 91 H SER 27 HN SER 27 -2.522 11.379 -7.240 92 HA SER 27 HA SER 27 -5.044 11.482 -5.780 93 1HB SER 27 2HB SER 27 -5.616 12.855 -8.002 94 2HB SER 27 1HB SER 27 -4.988 13.632 -6.559 95 HG SER 27 HG SER 27 -3.788 13.184 -9.013 96 H ALA 28 HN ALA 28 -6.604 10.182 -6.600 97 HA ALA 28 HA ALA 28 -6.048 7.935 -7.993 98 1HB ALA 28 1HB ALA 28 -8.287 7.453 -7.894 99 2HB ALA 28 2HB ALA 28 -8.760 9.107 -8.261 100 3HB ALA 28 3HB ALA 28 -8.144 8.702 -6.664 101 H ALA 29 HN ALA 29 -7.577 7.340 -9.978 102 HA ALA 29 HA ALA 29 -7.920 9.107 -12.095 103 1HB ALA 29 1HB ALA 29 -5.986 8.370 -13.552 104 2HB ALA 29 2HB ALA 29 -5.231 7.760 -12.080 105 3HB ALA 29 3HB ALA 29 -5.591 9.479 -12.239 106 H HIS 30 HN HIS 30 -7.214 5.838 -11.030 107 HA HIS 30 HA HIS 30 -8.902 4.874 -13.222 108 1HB HIS 30 2HB HIS 30 -7.679 2.870 -13.435 109 2HB HIS 30 1HB HIS 30 -6.509 4.175 -13.426 110 HD1 HIS 30 1HD HIS 30 -7.979 1.930 -10.688 111 HD2 HIS 30 2HD HIS 30 -4.345 3.379 -12.075 112 HE1 HIS 30 1HE HIS 30 -6.241 0.892 -9.211 113 HE2 HIS 30 2HE HIS 30 -4.043 1.668 -10.164 114 H SER 31 HN SER 31 -9.506 2.456 -12.624 115 HA SER 31 HA SER 31 -11.733 2.424 -11.188 116 1HB SER 31 2HB SER 31 -9.735 0.284 -11.728 117 2HB SER 31 1HB SER 31 -11.067 -0.078 -10.631 118 HG SER 31 HG SER 31 -12.362 -0.152 -12.278 119 H SER 32 HN SER 32 -9.077 0.710 -9.573 120 HA SER 32 HA SER 32 -10.222 1.464 -7.021 121 1HB SER 32 2HB SER 32 -8.136 -0.518 -7.883 122 2HB SER 32 1HB SER 32 -8.336 -0.101 -6.181 123 HG SER 32 HG SER 32 -9.652 -1.831 -6.565 124 H GLU 33 HN GLU 33 -9.075 3.713 -8.282 125 HA GLU 33 HA GLU 33 -6.567 4.113 -6.858 126 1HB GLU 33 2HB GLU 33 -7.803 5.212 -9.291 127 2HB GLU 33 1HB GLU 33 -6.849 6.320 -8.341 128 1HG GLU 33 2HG GLU 33 -5.698 3.702 -8.866 129 2HG GLU 33 1HG GLU 33 -5.840 4.810 -10.223 130 H LEU 34 HN LEU 34 -6.239 6.063 -5.709 131 HA LEU 34 HA LEU 34 -8.484 7.720 -5.052 132 1HB LEU 34 2HB LEU 34 -7.878 7.268 -2.529 133 2HB LEU 34 1HB LEU 34 -9.113 6.379 -3.385 134 HG LEU 34 HG LEU 34 -7.192 4.658 -3.844 135 1HD1 LEU 34 1HD1 LEU 34 -6.119 6.400 -1.671 136 2HD1 LEU 34 2HD1 LEU 34 -5.282 5.657 -3.035 137 3HD1 LEU 34 3HD1 LEU 34 -5.782 4.669 -1.662 138 1HD2 LEU 34 1HD2 LEU 34 -8.639 5.119 -1.247 139 2HD2 LEU 34 2HD2 LEU 34 -7.695 3.664 -1.568 140 3HD2 LEU 34 3HD2 LEU 34 -9.089 4.051 -2.575 141 H SER 35 HN SER 35 -7.868 9.453 -3.527 142 HA SER 35 HA SER 35 -5.255 10.420 -4.193 143 1HB SER 35 2HB SER 35 -6.285 12.438 -2.787 144 2HB SER 35 1HB SER 35 -6.687 12.184 -4.484 145 HG SER 35 HG SER 35 -8.245 11.880 -2.225 146 H ILE 36 HN ILE 36 -3.637 10.540 -2.908 147 HA ILE 36 HA ILE 36 -3.992 10.150 -0.024 148 HB ILE 36 HB ILE 36 -1.933 8.767 0.001 149 1HG1 ILE 36 2HG1 ILE 36 -1.577 7.715 -2.434 150 2HG1 ILE 36 1HG1 ILE 36 -2.131 9.309 -2.911 151 1HG2 ILE 36 1HG2 ILE 36 -4.240 7.800 -0.043 152 2HG2 ILE 36 2HG2 ILE 36 -2.995 6.731 -0.691 153 3HG2 ILE 36 3HG2 ILE 36 -4.066 7.604 -1.787 154 1HD1 ILE 36 1HD1 ILE 36 0.351 9.002 -2.748 155 2HD1 ILE 36 2HD1 ILE 36 0.135 8.892 -1.001 156 3HD1 ILE 36 3HD1 ILE 36 -0.319 10.363 -1.853 157 H GLN 37 HN GLN 37 -2.004 10.788 1.178 158 HA GLN 37 HA GLN 37 -0.557 12.956 -0.121 159 1HB GLN 37 2HB GLN 37 -2.243 12.966 2.303 160 2HB GLN 37 1HB GLN 37 -0.744 13.863 2.394 161 1HG GLN 37 2HG GLN 37 -1.574 15.532 1.191 162 2HG GLN 37 1HG GLN 37 -2.124 14.426 -0.067 163 1HE2 GLN 37 1HE2 GLN 37 -4.233 13.747 -0.085 164 2HE2 GLN 37 2HE2 GLN 37 -5.453 14.417 0.938 165 H VAL 38 HN VAL 38 1.497 13.404 0.667 166 HA VAL 38 HA VAL 38 3.042 11.178 1.439 167 HB VAL 38 HB VAL 38 4.008 13.018 0.189 168 1HG1 VAL 38 1HG1 VAL 38 2.572 14.671 1.770 169 2HG1 VAL 38 2HG1 VAL 38 3.900 15.190 0.732 170 3HG1 VAL 38 3HG1 VAL 38 4.187 14.885 2.444 171 1HG2 VAL 38 1HG2 VAL 38 6.094 13.227 1.298 172 2HG2 VAL 38 2HG2 VAL 38 5.437 11.663 1.780 173 3HG2 VAL 38 3HG2 VAL 38 5.348 13.036 2.886 174 H GLY 39 HN GLY 39 3.377 10.311 3.413 175 1HA GLY 39 2HA GLY 39 4.162 10.711 5.679 176 2HA GLY 39 1HA GLY 39 3.065 12.069 5.767 177 H GLN 40 HN GLN 40 0.889 10.447 4.516 178 HA GLN 40 HA GLN 40 -0.170 9.457 6.930 179 1HB GLN 40 2HB GLN 40 -2.139 9.038 5.740 180 2HB GLN 40 1HB GLN 40 -1.478 10.517 5.112 181 1HG GLN 40 2HG GLN 40 -0.523 9.248 3.260 182 2HG GLN 40 1HG GLN 40 -1.320 7.809 3.873 183 1HE2 GLN 40 1HE2 GLN 40 -2.799 7.393 2.345 184 2HE2 GLN 40 2HE2 GLN 40 -4.026 8.494 1.829 185 H THR 41 HN THR 41 -1.228 7.302 7.058 186 HA THR 41 HA THR 41 0.540 5.241 5.919 187 HB THR 41 HB THR 41 -0.592 5.385 8.709 188 HG1 THR 41 1HG THR 41 1.409 6.210 8.678 189 1HG2 THR 41 1HG2 THR 41 0.406 2.949 7.245 190 2HG2 THR 41 2HG2 THR 41 -1.070 3.135 8.191 191 3HG2 THR 41 3HG2 THR 41 0.495 3.084 9.003 192 H VAL 42 HN VAL 42 -0.391 3.845 4.704 193 HA VAL 42 HA VAL 42 -3.049 2.914 5.350 194 HB VAL 42 HB VAL 42 -2.419 4.460 2.923 195 1HG1 VAL 42 1HG1 VAL 42 -4.194 3.056 1.673 196 2HG1 VAL 42 2HG1 VAL 42 -3.714 1.785 2.791 197 3HG1 VAL 42 3HG1 VAL 42 -2.528 2.478 1.714 198 1HG2 VAL 42 1HG2 VAL 42 -4.107 5.327 4.298 199 2HG2 VAL 42 2HG2 VAL 42 -4.865 3.749 4.506 200 3HG2 VAL 42 3HG2 VAL 42 -4.975 4.582 2.955 201 H GLU 43 HN GLU 43 -3.323 0.823 4.930 202 HA GLU 43 HA GLU 43 -0.959 -0.701 4.605 203 1HB GLU 43 2HB GLU 43 -2.382 -2.632 5.028 204 2HB GLU 43 1HB GLU 43 -2.719 -1.350 6.182 205 1HG GLU 43 2HG GLU 43 -4.609 -0.668 4.606 206 2HG GLU 43 1HG GLU 43 -4.368 -2.239 3.842 207 H LEU 44 HN LEU 44 -0.177 -1.701 2.841 208 HA LEU 44 HA LEU 44 -1.435 -1.279 0.342 209 1HB LEU 44 2HB LEU 44 0.415 -2.675 -0.551 210 2HB LEU 44 1HB LEU 44 0.886 -1.223 0.271 211 HG LEU 44 HG LEU 44 1.248 -2.820 2.314 212 1HD1 LEU 44 1HD1 LEU 44 0.782 -4.956 1.926 213 2HD1 LEU 44 2HD1 LEU 44 2.169 -4.995 0.840 214 3HD1 LEU 44 3HD1 LEU 44 0.559 -4.663 0.203 215 1HD2 LEU 44 1HD2 LEU 44 3.509 -2.920 1.800 216 2HD2 LEU 44 2HD2 LEU 44 2.937 -1.565 0.826 217 3HD2 LEU 44 3HD2 LEU 44 3.207 -3.138 0.077 218 H LEU 45 HN LEU 45 -2.181 -2.704 -1.083 219 HA LEU 45 HA LEU 45 -3.706 -4.857 0.031 220 1HB LEU 45 2HB LEU 45 -3.410 -4.324 -2.907 221 2HB LEU 45 1HB LEU 45 -4.774 -5.009 -2.056 222 HG LEU 45 HG LEU 45 -3.956 -2.138 -1.639 223 1HD1 LEU 45 1HD1 LEU 45 -5.795 -1.614 -3.277 224 2HD1 LEU 45 2HD1 LEU 45 -5.721 -3.302 -3.783 225 3HD1 LEU 45 3HD1 LEU 45 -4.317 -2.258 -3.987 226 1HD2 LEU 45 1HD2 LEU 45 -5.473 -3.145 -0.011 227 2HD2 LEU 45 2HD2 LEU 45 -6.574 -3.582 -1.317 228 3HD2 LEU 45 3HD2 LEU 45 -6.263 -1.884 -0.957 229 H GLU 46 HN GLU 46 -1.158 -4.731 -2.502 230 HA GLU 46 HA GLU 46 -0.460 -7.451 -1.749 231 1HB GLU 46 2HB GLU 46 -0.394 -8.162 -3.975 232 2HB GLU 46 1HB GLU 46 -1.890 -7.272 -3.848 233 1HG GLU 46 2HG GLU 46 -0.516 -5.293 -4.771 234 2HG GLU 46 1HG GLU 46 0.641 -6.529 -5.255 235 H ARG 47 HN ARG 47 1.580 -7.567 -3.829 236 HA ARG 47 HA ARG 47 3.470 -5.492 -2.988 237 1HB ARG 47 2HB ARG 47 3.595 -8.369 -2.421 238 2HB ARG 47 1HB ARG 47 5.066 -7.724 -3.131 239 1HG ARG 47 2HG ARG 47 5.033 -5.958 -1.345 240 2HG ARG 47 1HG ARG 47 3.721 -6.861 -0.585 241 1HD ARG 47 2HD ARG 47 6.115 -8.422 -1.310 242 2HD ARG 47 1HD ARG 47 6.331 -7.238 -0.021 243 HE ARG 47 HE ARG 47 4.087 -8.536 0.725 244 1HH1 ARG 47 1HH1 ARG 47 7.263 -9.664 -0.218 245 2HH1 ARG 47 2HH1 ARG 47 7.183 -11.082 0.771 246 1HH2 ARG 47 1HH2 ARG 47 3.993 -10.402 2.022 247 2HH2 ARG 47 2HH2 ARG 47 5.330 -11.501 2.040 248 HA PRO 48 HA PRO 48 4.892 -5.426 -7.176 249 1HB PRO 48 2HB PRO 48 7.600 -5.504 -7.024 250 2HB PRO 48 1HB PRO 48 6.644 -4.083 -6.590 251 1HG PRO 48 2HG PRO 48 7.827 -6.184 -4.814 252 2HG PRO 48 1HG PRO 48 7.807 -4.422 -4.603 253 1HD PRO 48 2HD PRO 48 6.087 -6.040 -3.305 254 2HD PRO 48 1HD PRO 48 5.626 -4.412 -3.841 255 H SER 49 HN SER 49 3.964 -7.879 -6.868 256 HA SER 49 HA SER 49 5.990 -9.858 -7.425 257 1HB SER 49 2HB SER 49 3.059 -9.913 -6.915 258 2HB SER 49 1HB SER 49 3.790 -11.269 -7.773 259 HG SER 49 HG SER 49 4.940 -11.786 -6.017 260 H GLU 50 HN GLU 50 3.276 -8.391 -9.041 261 HA GLU 50 HA GLU 50 3.839 -9.639 -11.555 262 1HB GLU 50 2HB GLU 50 1.955 -8.195 -12.323 263 2HB GLU 50 1HB GLU 50 1.571 -9.293 -11.025 264 1HG GLU 50 2HG GLU 50 1.513 -7.599 -9.441 265 2HG GLU 50 1HG GLU 50 2.304 -6.460 -10.521 266 H ARG 51 HN ARG 51 4.182 -6.534 -10.047 267 HA ARG 51 HA ARG 51 5.998 -5.723 -12.203 268 1HB ARG 51 2HB ARG 51 4.965 -3.292 -11.426 269 2HB ARG 51 1HB ARG 51 4.542 -4.160 -12.891 270 1HG ARG 51 2HG ARG 51 2.578 -5.055 -11.883 271 2HG ARG 51 1HG ARG 51 3.052 -4.449 -10.294 272 1HD ARG 51 2HD ARG 51 1.310 -3.078 -11.428 273 2HD ARG 51 1HD ARG 51 2.769 -2.181 -11.006 274 HE ARG 51 HE ARG 51 2.864 -3.201 -13.669 275 1HH1 ARG 51 1HH1 ARG 51 1.578 -0.601 -11.712 276 2HH1 ARG 51 2HH1 ARG 51 1.479 0.507 -13.038 277 1HH2 ARG 51 1HH2 ARG 51 2.731 -1.738 -15.404 278 2HH2 ARG 51 2HH2 ARG 51 2.132 -0.136 -15.130 279 HA PRO 52 HA PRO 52 8.411 -4.632 -8.612 280 1HB PRO 52 2HB PRO 52 10.737 -4.238 -9.823 281 2HB PRO 52 1HB PRO 52 9.987 -5.839 -9.841 282 1HG PRO 52 2HG PRO 52 10.186 -3.821 -12.011 283 2HG PRO 52 1HG PRO 52 10.142 -5.588 -12.118 284 1HD PRO 52 2HD PRO 52 7.967 -3.765 -12.456 285 2HD PRO 52 1HD PRO 52 7.906 -5.537 -12.459 286 H GLY 53 HN GLY 53 8.238 -2.756 -7.560 287 1HA GLY 53 2HA GLY 53 9.232 -0.549 -7.305 288 2HA GLY 53 1HA GLY 53 8.945 -0.288 -9.012 289 H TRP 54 HN TRP 54 6.272 -1.791 -8.071 290 HA TRP 54 HA TRP 54 4.862 0.669 -7.582 291 1HB TRP 54 2HB TRP 54 3.120 -0.147 -8.795 292 2HB TRP 54 1HB TRP 54 4.448 -0.968 -9.569 293 HD1 TRP 54 1HD TRP 54 4.780 -3.336 -7.415 294 HE1 TRP 54 1HE TRP 54 2.975 -5.190 -7.319 295 HE3 TRP 54 3HE TRP 54 0.984 -0.821 -9.636 296 HZ2 TRP 54 2HZ TRP 54 0.275 -5.515 -8.116 297 HZ3 TRP 54 3HZ TRP 54 -1.189 -1.950 -9.954 298 HH2 TRP 54 2HH TRP 54 -1.535 -4.249 -9.200 299 H CYS 55 HN CYS 55 2.844 0.567 -6.268 300 HA CYS 55 HA CYS 55 2.613 -1.555 -4.344 301 1HB CYS 55 2HB CYS 55 4.360 0.343 -3.570 302 2HB CYS 55 1HB CYS 55 2.882 0.985 -2.893 303 HG CYS 55 HG CYS 55 4.294 -0.766 -1.329 304 H LEU 56 HN LEU 56 0.797 -1.396 -2.994 305 HA LEU 56 HA LEU 56 -1.309 0.314 -4.112 306 1HB LEU 56 2HB LEU 56 -1.259 -2.466 -3.026 307 2HB LEU 56 1HB LEU 56 -2.746 -1.557 -3.072 308 HG LEU 56 HG LEU 56 -2.828 -1.540 -5.407 309 1HD1 LEU 56 1HD1 LEU 56 -0.889 -2.315 -6.813 310 2HD1 LEU 56 2HD1 LEU 56 0.103 -2.264 -5.355 311 3HD1 LEU 56 3HD1 LEU 56 -0.631 -0.785 -5.974 312 1HD2 LEU 56 1HD2 LEU 56 -1.947 -4.079 -4.193 313 2HD2 LEU 56 2HD2 LEU 56 -1.975 -4.013 -5.953 314 3HD2 LEU 56 3HD2 LEU 56 -3.442 -3.685 -5.035 315 H VAL 57 HN VAL 57 -3.075 0.950 -2.639 316 HA VAL 57 HA VAL 57 -2.269 1.082 0.186 317 HB VAL 57 HB VAL 57 -3.304 3.517 0.026 318 1HG1 VAL 57 1HG1 VAL 57 -1.220 3.627 0.874 319 2HG1 VAL 57 2HG1 VAL 57 -0.808 4.186 -0.741 320 3HG1 VAL 57 3HG1 VAL 57 -0.568 2.493 -0.309 321 1HG2 VAL 57 1HG2 VAL 57 -3.313 4.582 -1.948 322 2HG2 VAL 57 2HG2 VAL 57 -3.497 2.949 -2.587 323 3HG2 VAL 57 3HG2 VAL 57 -1.905 3.705 -2.549 324 H ARG 58 HN ARG 58 -3.912 0.457 1.513 325 HA ARG 58 HA ARG 58 -6.644 0.466 0.459 326 1HB ARG 58 2HB ARG 58 -6.155 -1.704 1.165 327 2HB ARG 58 1HB ARG 58 -5.223 -1.150 2.530 328 1HG ARG 58 2HG ARG 58 -7.224 -2.202 3.323 329 2HG ARG 58 1HG ARG 58 -7.315 -0.476 3.661 330 1HD ARG 58 2HD ARG 58 -9.353 -1.770 2.639 331 2HD ARG 58 1HD ARG 58 -8.985 -0.129 2.147 332 HE ARG 58 HE ARG 58 -7.922 -1.029 0.161 333 1HH1 ARG 58 1HH1 ARG 58 -10.078 -3.235 1.899 334 2HH1 ARG 58 2HH1 ARG 58 -10.278 -4.278 0.542 335 1HH2 ARG 58 1HH2 ARG 58 -8.219 -2.471 -1.586 336 2HH2 ARG 58 2HH2 ARG 58 -9.240 -3.853 -1.411 337 H THR 59 HN THR 59 -8.319 1.593 1.507 338 HA THR 59 HA THR 59 -7.490 3.462 3.575 339 HB THR 59 HB THR 59 -10.185 3.380 2.325 340 HG1 THR 59 1HG THR 59 -8.730 3.291 0.582 341 1HG2 THR 59 1HG2 THR 59 -10.364 5.583 2.777 342 2HG2 THR 59 2HG2 THR 59 -8.619 5.835 2.773 343 3HG2 THR 59 3HG2 THR 59 -9.391 5.028 4.138 344 H THR 60 HN THR 60 -8.029 3.138 5.650 345 HA THR 60 HA THR 60 -10.149 1.167 6.215 346 HB THR 60 HB THR 60 -8.715 1.006 8.461 347 HG1 THR 60 1HG THR 60 -6.752 1.548 6.493 348 1HG2 THR 60 1HG2 THR 60 -7.968 -1.028 7.787 349 2HG2 THR 60 2HG2 THR 60 -7.488 -0.451 6.191 350 3HG2 THR 60 3HG2 THR 60 -9.191 -0.739 6.549 351 H GLU 61 HN GLU 61 -9.081 4.395 6.715 352 HA GLU 61 HA GLU 61 -10.686 4.739 9.111 353 1HB GLU 61 2HB GLU 61 -9.914 7.145 8.904 354 2HB GLU 61 1HB GLU 61 -8.655 5.951 9.184 355 1HG GLU 61 2HG GLU 61 -7.891 6.075 6.974 356 2HG GLU 61 1HG GLU 61 -9.351 6.897 6.426 357 H ARG 62 HN ARG 62 -11.717 4.199 6.264 358 HA ARG 62 HA ARG 62 -13.907 6.077 6.395 359 1HB ARG 62 2HB ARG 62 -11.885 5.890 4.251 360 2HB ARG 62 1HB ARG 62 -13.551 5.887 3.704 361 1HG ARG 62 2HG ARG 62 -13.576 7.930 5.492 362 2HG ARG 62 1HG ARG 62 -11.941 8.043 4.840 363 1HD ARG 62 2HD ARG 62 -12.659 8.722 2.817 364 2HD ARG 62 1HD ARG 62 -14.043 7.629 2.832 365 HE ARG 62 HE ARG 62 -15.312 9.400 3.468 366 1HH1 ARG 62 1HH1 ARG 62 -12.037 10.016 4.535 367 2HH1 ARG 62 2HH1 ARG 62 -12.415 11.575 5.186 368 1HH2 ARG 62 1HH2 ARG 62 -15.799 11.448 4.326 369 2HH2 ARG 62 2HH2 ARG 62 -14.547 12.387 5.069 370 H SER 63 HN SER 63 -15.297 4.467 6.989 371 HA SER 63 HA SER 63 -15.302 1.927 5.639 372 1HB SER 63 2HB SER 63 -17.559 2.711 7.415 373 2HB SER 63 1HB SER 63 -16.678 1.186 7.320 374 HG SER 63 HG SER 63 -16.005 3.553 8.674 375 HA PRO 64 HA PRO 64 -16.262 0.350 4.626 376 1HB PRO 64 2HB PRO 64 -16.460 -0.431 2.061 377 2HB PRO 64 1HB PRO 64 -17.827 -0.536 3.178 378 1HG PRO 64 2HG PRO 64 -17.235 1.537 1.101 379 2HG PRO 64 1HG PRO 64 -18.774 0.748 1.488 380 1HD PRO 64 2HD PRO 64 -18.102 3.238 2.374 381 2HD PRO 64 1HD PRO 64 -19.191 2.150 3.255 382 HA PRO 65 HA PRO 65 -12.037 1.354 3.618 383 1HB PRO 65 2HB PRO 65 -12.046 -1.321 2.282 384 2HB PRO 65 1HB PRO 65 -10.869 -0.626 3.403 385 1HG PRO 65 2HG PRO 65 -12.641 -2.429 4.242 386 2HG PRO 65 1HG PRO 65 -12.184 -1.053 5.262 387 1HD PRO 65 2HD PRO 65 -14.701 -1.545 3.766 388 2HD PRO 65 1HD PRO 65 -14.434 -0.623 5.258 389 H GLN 66 HN GLN 66 -10.604 1.632 1.803 390 HA GLN 66 HA GLN 66 -11.903 1.645 -0.793 391 1HB GLN 66 2HB GLN 66 -11.127 3.918 0.789 392 2HB GLN 66 1HB GLN 66 -10.187 3.875 -0.681 393 1HG GLN 66 2HG GLN 66 -13.108 3.480 -0.881 394 2HG GLN 66 1HG GLN 66 -12.509 5.097 -0.515 395 1HE2 GLN 66 1HE2 GLN 66 -10.636 5.773 -1.979 396 2HE2 GLN 66 2HE2 GLN 66 -10.848 5.459 -3.665 397 H GLU 67 HN GLU 67 -10.060 2.020 -2.549 398 HA GLU 67 HA GLU 67 -7.583 0.841 -1.556 399 1HB GLU 67 2HB GLU 67 -8.269 -0.240 -4.169 400 2HB GLU 67 1HB GLU 67 -7.653 -1.043 -2.748 401 1HG GLU 67 2HG GLU 67 -9.928 -1.148 -1.832 402 2HG GLU 67 1HG GLU 67 -10.536 -0.361 -3.285 403 H GLY 68 HN GLY 68 -5.768 1.254 -2.731 404 1HA GLY 68 2HA GLY 68 -6.060 3.164 -4.973 405 2HA GLY 68 1HA GLY 68 -5.087 3.614 -3.587 406 H LEU 69 HN LEU 69 -4.155 3.542 -6.211 407 HA LEU 69 HA LEU 69 -2.055 1.533 -5.938 408 1HB LEU 69 2HB LEU 69 -3.949 1.851 -8.185 409 2HB LEU 69 1HB LEU 69 -2.273 1.546 -8.606 410 HG LEU 69 HG LEU 69 -2.440 -0.404 -6.934 411 1HD1 LEU 69 1HD1 LEU 69 -5.219 0.529 -7.081 412 2HD1 LEU 69 2HD1 LEU 69 -4.405 -0.422 -5.843 413 3HD1 LEU 69 3HD1 LEU 69 -5.006 -1.207 -7.301 414 1HD2 LEU 69 1HD2 LEU 69 -4.097 -0.850 -9.370 415 2HD2 LEU 69 2HD2 LEU 69 -2.803 -1.838 -8.689 416 3HD2 LEU 69 3HD2 LEU 69 -2.415 -0.346 -9.544 417 H VAL 70 HN VAL 70 -0.090 2.240 -6.293 418 HA VAL 70 HA VAL 70 0.525 4.429 -8.045 419 HB VAL 70 HB VAL 70 1.834 5.511 -5.969 420 1HG1 VAL 70 1HG1 VAL 70 -0.115 6.314 -7.643 421 2HG1 VAL 70 2HG1 VAL 70 0.555 7.315 -6.355 422 3HG1 VAL 70 3HG1 VAL 70 -0.952 6.438 -6.096 423 1HG2 VAL 70 1HG2 VAL 70 -0.691 5.194 -4.511 424 2HG2 VAL 70 2HG2 VAL 70 0.968 5.232 -3.917 425 3HG2 VAL 70 3HG2 VAL 70 0.303 3.739 -4.577 426 HA PRO 71 HA PRO 71 4.282 2.219 -7.733 427 1HB PRO 71 2HB PRO 71 6.227 4.017 -8.301 428 2HB PRO 71 1HB PRO 71 5.120 3.343 -9.501 429 1HG PRO 71 2HG PRO 71 5.217 6.052 -8.407 430 2HG PRO 71 1HG PRO 71 4.340 5.452 -9.821 431 1HD PRO 71 2HD PRO 71 3.339 5.981 -7.151 432 2HD PRO 71 1HD PRO 71 2.429 5.556 -8.606 433 H SER 72 HN SER 72 6.101 1.712 -6.509 434 HA SER 72 HA SER 72 6.012 2.161 -3.820 435 1HB SER 72 2HB SER 72 7.301 0.346 -4.902 436 2HB SER 72 1HB SER 72 8.505 1.527 -5.416 437 HG SER 72 HG SER 72 8.780 0.264 -3.325 438 H SER 73 HN SER 73 7.422 4.196 -6.266 439 HA SER 73 HA SER 73 9.215 5.682 -4.720 440 1HB SER 73 2HB SER 73 9.278 5.992 -7.080 441 2HB SER 73 1HB SER 73 7.563 6.398 -7.146 442 HG SER 73 HG SER 73 7.994 8.384 -6.526 443 H THR 74 HN THR 74 5.712 5.808 -5.004 444 HA THR 74 HA THR 74 5.605 8.158 -3.270 445 HB THR 74 HB THR 74 3.496 8.542 -4.090 446 HG1 THR 74 1HG THR 74 2.053 7.047 -4.336 447 1HG2 THR 74 1HG2 THR 74 4.779 6.982 -6.287 448 2HG2 THR 74 2HG2 THR 74 4.946 8.705 -5.986 449 3HG2 THR 74 3HG2 THR 74 3.389 8.046 -6.479 450 H LEU 75 HN LEU 75 5.625 4.849 -3.001 451 HA LEU 75 HA LEU 75 4.045 4.887 -0.560 452 1HB LEU 75 2HB LEU 75 4.577 2.607 -2.458 453 2HB LEU 75 1HB LEU 75 3.669 2.491 -0.963 454 HG LEU 75 HG LEU 75 2.467 4.569 -2.423 455 1HD1 LEU 75 1HD1 LEU 75 2.772 4.133 -4.581 456 2HD1 LEU 75 2HD1 LEU 75 1.919 2.610 -4.353 457 3HD1 LEU 75 3HD1 LEU 75 3.674 2.664 -4.215 458 1HD2 LEU 75 1HD2 LEU 75 0.582 3.450 -1.916 459 2HD2 LEU 75 2HD2 LEU 75 1.654 2.443 -0.946 460 3HD2 LEU 75 3HD2 LEU 75 1.180 1.926 -2.564 461 H CYS 76 HN CYS 76 4.804 2.767 0.691 462 HA CYS 76 HA CYS 76 7.271 3.352 1.836 463 1HB CYS 76 2HB CYS 76 5.535 2.008 2.960 464 2HB CYS 76 1HB CYS 76 5.854 0.680 1.848 465 HG CYS 76 HG CYS 76 8.407 0.949 3.035 466 H ILE 77 HN ILE 77 9.273 3.106 1.126 467 HA ILE 77 HA ILE 77 9.789 1.164 -1.017 468 HB ILE 77 HB ILE 77 11.862 2.442 -1.434 469 1HG1 ILE 77 2HG1 ILE 77 10.784 4.532 0.449 470 2HG1 ILE 77 1HG1 ILE 77 11.931 3.309 0.984 471 1HG2 ILE 77 1HG2 ILE 77 10.611 4.622 -2.117 472 2HG2 ILE 77 2HG2 ILE 77 9.180 3.744 -1.575 473 3HG2 ILE 77 3HG2 ILE 77 10.181 3.087 -2.871 474 1HD1 ILE 77 1HD1 ILE 77 12.644 4.839 -1.439 475 2HD1 ILE 77 2HD1 ILE 77 13.659 4.256 -0.120 476 3HD1 ILE 77 3HD1 ILE 77 12.672 5.702 0.098 477 H SER 78 HN SER 78 12.163 0.356 -0.972 478 HA SER 78 HA SER 78 13.701 -1.007 0.003 479 1HB SER 78 2HB SER 78 13.242 0.550 2.550 480 2HB SER 78 1HB SER 78 14.708 -0.289 2.041 481 HG SER 78 HG SER 78 15.213 1.661 1.386 482 H HIS 79 HN HIS 79 12.097 -2.718 -0.212 483 HA HIS 79 HA HIS 79 10.689 -3.477 2.225 484 1HB HIS 79 2HB HIS 79 9.991 -3.674 -0.407 485 2HB HIS 79 1HB HIS 79 10.585 -5.301 -0.091 486 HD1 HIS 79 1HD HIS 79 9.130 -6.826 1.321 487 HD2 HIS 79 2HD HIS 79 7.702 -2.929 1.122 488 HE1 HIS 79 1HE HIS 79 6.826 -6.902 2.327 489 HE2 HIS 79 2HE HIS 79 6.015 -4.517 2.272 490 H SER 80 HN SER 80 13.421 -4.448 0.276 491 HA SER 80 HA SER 80 13.828 -7.020 1.315 492 1HB SER 80 2HB SER 80 16.142 -6.779 0.509 493 2HB SER 80 1HB SER 80 14.988 -6.195 -0.689 494 HG SER 80 HG SER 80 17.010 -4.882 0.385 Start of MODEL 4 1 H SER 14 HN SER 14 -1.633 -15.669 -2.284 2 HA SER 14 HA SER 14 -0.230 -13.225 -3.047 3 1HB SER 14 2HB SER 14 -2.887 -13.176 -3.321 4 2HB SER 14 1HB SER 14 -2.799 -12.835 -1.593 5 HG SER 14 HG SER 14 -2.745 -10.939 -2.926 6 H GLY 15 HN GLY 15 -0.110 -11.715 -1.051 7 1HA GLY 15 2HA GLY 15 0.710 -13.408 1.205 8 2HA GLY 15 1HA GLY 15 1.263 -11.768 0.895 9 H GLY 16 HN GLY 16 -1.056 -10.374 0.599 10 1HA GLY 16 2HA GLY 16 -3.270 -10.530 1.963 11 2HA GLY 16 1HA GLY 16 -2.150 -10.532 3.318 12 H CYS 17 HN CYS 17 -2.146 -8.614 4.267 13 HA CYS 17 HA CYS 17 -1.916 -6.222 2.598 14 1HB CYS 17 2HB CYS 17 -3.330 -5.073 4.443 15 2HB CYS 17 1HB CYS 17 -4.154 -6.009 3.203 16 HG CYS 17 HG CYS 17 -3.978 -7.949 5.265 17 H GLU 18 HN GLU 18 -0.421 -4.818 3.250 18 HA GLU 18 HA GLU 18 0.748 -5.172 5.927 19 1HB GLU 18 2HB GLU 18 2.255 -6.188 4.309 20 2HB GLU 18 1HB GLU 18 2.253 -4.720 3.345 21 1HG GLU 18 2HG GLU 18 3.352 -3.519 5.151 22 2HG GLU 18 1HG GLU 18 3.318 -4.971 6.150 23 H LEU 19 HN LEU 19 1.550 -3.293 6.890 24 HA LEU 19 HA LEU 19 0.190 -0.906 6.046 25 1HB LEU 19 2HB LEU 19 2.239 -0.656 8.142 26 2HB LEU 19 1HB LEU 19 0.620 -0.006 8.074 27 HG LEU 19 HG LEU 19 1.425 -2.788 8.887 28 1HD1 LEU 19 1HD1 LEU 19 1.645 -1.563 10.790 29 2HD1 LEU 19 2HD1 LEU 19 -0.083 -1.903 10.875 30 3HD1 LEU 19 3HD1 LEU 19 0.480 -0.345 10.272 31 1HD2 LEU 19 1HD2 LEU 19 -1.161 -1.729 7.926 32 2HD2 LEU 19 2HD2 LEU 19 -1.208 -2.731 9.376 33 3HD2 LEU 19 3HD2 LEU 19 -0.521 -3.371 7.884 34 H THR 20 HN THR 20 0.929 0.711 4.919 35 HA THR 20 HA THR 20 3.805 1.068 4.550 36 HB THR 20 HB THR 20 3.174 -0.267 2.645 37 HG1 THR 20 1HG THR 20 3.296 2.445 1.835 38 1HG2 THR 20 1HG2 THR 20 0.788 0.080 2.568 39 2HG2 THR 20 2HG2 THR 20 1.515 0.475 1.010 40 3HG2 THR 20 3HG2 THR 20 1.026 1.766 2.107 41 H VAL 21 HN VAL 21 4.446 3.156 4.078 42 HA VAL 21 HA VAL 21 2.363 5.202 4.412 43 HB VAL 21 HB VAL 21 4.371 6.678 5.003 44 1HG1 VAL 21 1HG1 VAL 21 4.505 5.529 7.349 45 2HG1 VAL 21 2HG1 VAL 21 3.227 4.507 6.690 46 3HG1 VAL 21 3HG1 VAL 21 2.996 6.252 6.792 47 1HG2 VAL 21 1HG2 VAL 21 5.743 4.122 5.727 48 2HG2 VAL 21 2HG2 VAL 21 6.414 5.746 5.574 49 3HG2 VAL 21 3HG2 VAL 21 5.969 4.838 4.130 50 H VAL 22 HN VAL 22 2.215 6.859 2.908 51 HA VAL 22 HA VAL 22 3.560 6.348 0.422 52 HB VAL 22 HB VAL 22 2.175 8.520 -0.204 53 1HG1 VAL 22 1HG1 VAL 22 1.481 5.659 -0.075 54 2HG1 VAL 22 2HG1 VAL 22 1.698 6.714 -1.472 55 3HG1 VAL 22 3HG1 VAL 22 0.209 6.793 -0.529 56 1HG2 VAL 22 1HG2 VAL 22 1.400 8.736 2.207 57 2HG2 VAL 22 2HG2 VAL 22 0.377 7.338 1.874 58 3HG2 VAL 22 3HG2 VAL 22 0.166 8.826 0.950 59 H LEU 23 HN LEU 23 5.272 7.336 -0.303 60 HA LEU 23 HA LEU 23 6.579 9.302 1.259 61 1HB LEU 23 2HB LEU 23 7.493 8.745 -1.514 62 2HB LEU 23 1HB LEU 23 8.436 8.977 -0.056 63 HG LEU 23 HG LEU 23 6.958 6.483 -0.888 64 1HD1 LEU 23 1HD1 LEU 23 9.778 7.378 -0.888 65 2HD1 LEU 23 2HD1 LEU 23 8.925 6.306 -1.998 66 3HD1 LEU 23 3HD1 LEU 23 9.462 5.704 -0.429 67 1HD2 LEU 23 1HD2 LEU 23 8.608 6.767 1.603 68 2HD2 LEU 23 2HD2 LEU 23 7.491 5.478 1.158 69 3HD2 LEU 23 3HD2 LEU 23 6.871 7.066 1.608 70 H GLN 24 HN GLN 24 4.519 9.428 -1.554 71 HA GLN 24 HA GLN 24 4.746 12.328 -1.489 72 1HB GLN 24 2HB GLN 24 5.142 12.555 -3.781 73 2HB GLN 24 1HB GLN 24 6.212 11.270 -3.268 74 1HG GLN 24 2HG GLN 24 5.165 9.707 -4.460 75 2HG GLN 24 1HG GLN 24 3.585 10.472 -4.348 76 1HE2 GLN 24 1HE2 GLN 24 6.571 10.292 -6.082 77 2HE2 GLN 24 2HE2 GLN 24 6.086 11.249 -7.437 78 H ASP 25 HN ASP 25 2.876 13.446 -2.182 79 HA ASP 25 HA ASP 25 0.442 12.061 -1.685 80 1HB ASP 25 2HB ASP 25 0.000 14.554 -3.119 81 2HB ASP 25 1HB ASP 25 -0.509 14.086 -1.518 82 H PHE 26 HN PHE 26 -1.212 11.597 -3.081 83 HA PHE 26 HA PHE 26 -0.749 11.791 -5.946 84 1HB PHE 26 2HB PHE 26 0.167 9.589 -5.155 85 2HB PHE 26 1HB PHE 26 -1.461 9.143 -4.699 86 HD1 PHE 26 1HD PHE 26 -3.131 8.606 -6.345 87 HD2 PHE 26 2HD PHE 26 0.781 9.818 -7.504 88 HE1 PHE 26 1HE PHE 26 -3.567 7.829 -8.635 89 HE2 PHE 26 2HE PHE 26 0.350 9.040 -9.797 90 HZ PHE 26 HZ PHE 26 -1.828 8.042 -10.365 91 H SER 27 HN SER 27 -2.634 11.519 -7.194 92 HA SER 27 HA SER 27 -5.123 11.545 -5.666 93 1HB SER 27 2HB SER 27 -5.756 12.987 -7.828 94 2HB SER 27 1HB SER 27 -5.096 13.720 -6.377 95 HG SER 27 HG SER 27 -3.332 14.191 -7.430 96 H ALA 28 HN ALA 28 -6.672 10.252 -6.459 97 HA ALA 28 HA ALA 28 -6.143 8.060 -7.919 98 1HB ALA 28 1HB ALA 28 -8.212 8.799 -6.513 99 2HB ALA 28 2HB ALA 28 -8.343 7.523 -7.719 100 3HB ALA 28 3HB ALA 28 -8.885 9.153 -8.098 101 H ALA 29 HN ALA 29 -7.755 7.462 -9.813 102 HA ALA 29 HA ALA 29 -8.329 9.080 -11.947 103 1HB ALA 29 1HB ALA 29 -6.262 8.313 -13.416 104 2HB ALA 29 2HB ALA 29 -5.445 8.336 -11.853 105 3HB ALA 29 3HB ALA 29 -6.214 9.800 -12.467 106 H HIS 30 HN HIS 30 -7.054 6.024 -10.820 107 HA HIS 30 HA HIS 30 -8.337 4.594 -13.016 108 1HB HIS 30 2HB HIS 30 -6.700 3.347 -10.814 109 2HB HIS 30 1HB HIS 30 -7.070 2.689 -12.404 110 HD1 HIS 30 1HD HIS 30 -4.159 3.070 -11.234 111 HD2 HIS 30 2HD HIS 30 -6.062 5.614 -13.910 112 HE1 HIS 30 1HE HIS 30 -2.313 4.288 -12.432 113 HE2 HIS 30 2HE HIS 30 -3.488 5.757 -14.108 114 H SER 31 HN SER 31 -9.352 2.465 -12.322 115 HA SER 31 HA SER 31 -11.735 2.919 -11.035 116 1HB SER 31 2HB SER 31 -11.239 0.983 -12.518 117 2HB SER 31 1HB SER 31 -10.330 0.248 -11.199 118 HG SER 31 HG SER 31 -13.013 0.333 -11.614 119 H SER 32 HN SER 32 -8.995 1.102 -9.639 120 HA SER 32 HA SER 32 -10.197 1.445 -6.999 121 1HB SER 32 2HB SER 32 -9.010 -0.729 -8.158 122 2HB SER 32 1HB SER 32 -7.688 -0.084 -7.187 123 HG SER 32 HG SER 32 -10.255 -0.910 -6.328 124 H GLU 33 HN GLU 33 -9.055 3.782 -8.195 125 HA GLU 33 HA GLU 33 -6.599 4.168 -6.677 126 1HB GLU 33 2HB GLU 33 -7.739 5.289 -9.149 127 2HB GLU 33 1HB GLU 33 -6.814 6.387 -8.148 128 1HG GLU 33 2HG GLU 33 -5.646 3.762 -8.645 129 2HG GLU 33 1HG GLU 33 -5.740 4.869 -10.008 130 H LEU 34 HN LEU 34 -6.303 6.133 -5.523 131 HA LEU 34 HA LEU 34 -8.580 7.777 -4.950 132 1HB LEU 34 2HB LEU 34 -8.033 7.348 -2.407 133 2HB LEU 34 1HB LEU 34 -9.249 6.448 -3.284 134 HG LEU 34 HG LEU 34 -7.245 4.755 -3.684 135 1HD1 LEU 34 1HD1 LEU 34 -5.472 5.931 -2.676 136 2HD1 LEU 34 2HD1 LEU 34 -5.940 4.695 -1.508 137 3HD1 LEU 34 3HD1 LEU 34 -6.449 6.367 -1.274 138 1HD2 LEU 34 1HD2 LEU 34 -7.928 3.673 -1.522 139 2HD2 LEU 34 2HD2 LEU 34 -9.261 4.133 -2.582 140 3HD2 LEU 34 3HD2 LEU 34 -8.870 5.122 -1.175 141 H SER 35 HN SER 35 -7.953 9.527 -3.367 142 HA SER 35 HA SER 35 -5.344 10.464 -4.088 143 1HB SER 35 2HB SER 35 -6.239 12.494 -2.694 144 2HB SER 35 1HB SER 35 -6.826 12.213 -4.330 145 HG SER 35 HG SER 35 -8.097 11.599 -1.877 146 H ILE 36 HN ILE 36 -3.679 10.364 -2.890 147 HA ILE 36 HA ILE 36 -3.955 9.969 0.006 148 HB ILE 36 HB ILE 36 -1.639 8.789 -0.297 149 1HG1 ILE 36 2HG1 ILE 36 -1.667 9.344 -2.791 150 2HG1 ILE 36 1HG1 ILE 36 -1.242 7.700 -2.357 151 1HG2 ILE 36 1HG2 ILE 36 -2.714 6.678 -0.232 152 2HG2 ILE 36 2HG2 ILE 36 -4.117 7.290 -1.108 153 3HG2 ILE 36 3HG2 ILE 36 -3.803 7.831 0.539 154 1HD1 ILE 36 1HD1 ILE 36 -3.274 8.616 -4.104 155 2HD1 ILE 36 2HD1 ILE 36 -4.035 7.769 -2.760 156 3HD1 ILE 36 3HD1 ILE 36 -2.804 6.960 -3.728 157 H GLN 37 HN GLN 37 -1.980 10.618 1.193 158 HA GLN 37 HA GLN 37 -0.579 12.837 -0.066 159 1HB GLN 37 2HB GLN 37 -2.254 12.775 2.363 160 2HB GLN 37 1HB GLN 37 -0.768 13.694 2.465 161 1HG GLN 37 2HG GLN 37 -1.620 15.369 1.286 162 2HG GLN 37 1HG GLN 37 -2.177 14.275 0.022 163 1HE2 GLN 37 1HE2 GLN 37 -4.047 15.582 -0.183 164 2HE2 GLN 37 2HE2 GLN 37 -5.349 15.450 0.945 165 H VAL 38 HN VAL 38 1.470 13.289 0.673 166 HA VAL 38 HA VAL 38 3.075 11.099 1.406 167 HB VAL 38 HB VAL 38 4.012 12.948 0.183 168 1HG1 VAL 38 1HG1 VAL 38 4.380 15.042 1.959 169 2HG1 VAL 38 2HG1 VAL 38 2.709 14.542 2.209 170 3HG1 VAL 38 3HG1 VAL 38 3.262 14.991 0.598 171 1HG2 VAL 38 1HG2 VAL 38 6.077 13.188 1.261 172 2HG2 VAL 38 2HG2 VAL 38 5.432 11.676 1.901 173 3HG2 VAL 38 3HG2 VAL 38 5.344 13.151 2.865 174 H GLY 39 HN GLY 39 3.607 10.268 3.363 175 1HA GLY 39 2HA GLY 39 4.333 10.599 5.624 176 2HA GLY 39 1HA GLY 39 3.246 11.963 5.743 177 H GLN 40 HN GLN 40 1.027 10.403 4.527 178 HA GLN 40 HA GLN 40 0.015 9.374 6.942 179 1HB GLN 40 2HB GLN 40 -1.998 9.089 5.842 180 2HB GLN 40 1HB GLN 40 -1.286 10.495 5.117 181 1HG GLN 40 2HG GLN 40 -0.503 9.091 3.277 182 2HG GLN 40 1HG GLN 40 -1.357 7.734 3.993 183 1HE2 GLN 40 1HE2 GLN 40 -3.210 7.335 3.047 184 2HE2 GLN 40 2HE2 GLN 40 -4.277 8.501 2.355 185 H THR 41 HN THR 41 -1.092 7.240 7.036 186 HA THR 41 HA THR 41 0.622 5.168 5.844 187 HB THR 41 HB THR 41 -0.464 5.290 8.652 188 HG1 THR 41 1HG THR 41 1.527 5.970 8.810 189 1HG2 THR 41 1HG2 THR 41 0.490 2.858 7.147 190 2HG2 THR 41 2HG2 THR 41 -0.985 3.054 8.091 191 3HG2 THR 41 3HG2 THR 41 0.575 2.971 8.907 192 H VAL 42 HN VAL 42 -0.328 3.743 4.682 193 HA VAL 42 HA VAL 42 -2.998 2.864 5.328 194 HB VAL 42 HB VAL 42 -2.369 4.419 2.908 195 1HG1 VAL 42 1HG1 VAL 42 -3.678 1.753 2.757 196 2HG1 VAL 42 2HG1 VAL 42 -2.488 2.447 1.685 197 3HG1 VAL 42 3HG1 VAL 42 -4.152 3.034 1.651 198 1HG2 VAL 42 1HG2 VAL 42 -4.767 3.749 4.560 199 2HG2 VAL 42 2HG2 VAL 42 -4.963 4.466 2.962 200 3HG2 VAL 42 3HG2 VAL 42 -4.058 5.325 4.208 201 H GLU 43 HN GLU 43 -3.309 0.777 4.876 202 HA GLU 43 HA GLU 43 -0.966 -0.778 4.536 203 1HB GLU 43 2HB GLU 43 -2.416 -2.695 4.937 204 2HB GLU 43 1HB GLU 43 -2.729 -1.422 6.110 205 1HG GLU 43 2HG GLU 43 -4.612 -0.695 4.537 206 2HG GLU 43 1HG GLU 43 -4.400 -2.269 3.771 207 H LEU 44 HN LEU 44 -0.216 -1.812 2.771 208 HA LEU 44 HA LEU 44 -1.463 -1.320 0.269 209 1HB LEU 44 2HB LEU 44 0.384 -2.690 -0.644 210 2HB LEU 44 1HB LEU 44 0.865 -1.276 0.236 211 HG LEU 44 HG LEU 44 0.960 -3.219 2.179 212 1HD1 LEU 44 1HD1 LEU 44 0.551 -4.806 0.159 213 2HD1 LEU 44 2HD1 LEU 44 1.753 -5.218 1.381 214 3HD1 LEU 44 3HD1 LEU 44 2.262 -4.525 -0.159 215 1HD2 LEU 44 1HD2 LEU 44 2.670 -1.420 1.095 216 2HD2 LEU 44 2HD2 LEU 44 3.428 -2.939 0.619 217 3HD2 LEU 44 3HD2 LEU 44 3.115 -2.607 2.322 218 H LEU 45 HN LEU 45 -2.210 -2.706 -1.177 219 HA LEU 45 HA LEU 45 -3.704 -4.933 -0.132 220 1HB LEU 45 2HB LEU 45 -3.461 -4.285 -3.047 221 2HB LEU 45 1HB LEU 45 -4.815 -4.979 -2.189 222 HG LEU 45 HG LEU 45 -3.973 -2.123 -1.716 223 1HD1 LEU 45 1HD1 LEU 45 -5.131 -3.251 -4.122 224 2HD1 LEU 45 2HD1 LEU 45 -4.569 -1.612 -3.807 225 3HD1 LEU 45 3HD1 LEU 45 -6.208 -2.077 -3.374 226 1HD2 LEU 45 1HD2 LEU 45 -6.294 -1.870 -1.033 227 2HD2 LEU 45 2HD2 LEU 45 -5.482 -3.121 -0.092 228 3HD2 LEU 45 3HD2 LEU 45 -6.590 -3.572 -1.387 229 H GLU 46 HN GLU 46 -1.156 -4.539 -2.580 230 HA GLU 46 HA GLU 46 -0.094 -7.130 -1.967 231 1HB GLU 46 2HB GLU 46 -0.058 -7.487 -4.597 232 2HB GLU 46 1HB GLU 46 -1.368 -8.088 -3.599 233 1HG GLU 46 2HG GLU 46 -2.541 -5.883 -4.157 234 2HG GLU 46 1HG GLU 46 -1.319 -5.706 -5.415 235 H ARG 47 HN ARG 47 2.026 -7.206 -2.283 236 HA ARG 47 HA ARG 47 3.410 -4.775 -2.977 237 1HB ARG 47 2HB ARG 47 4.052 -7.333 -1.662 238 2HB ARG 47 1HB ARG 47 5.378 -6.615 -2.565 239 1HG ARG 47 2HG ARG 47 4.706 -4.452 -1.259 240 2HG ARG 47 1HG ARG 47 3.962 -5.604 -0.148 241 1HD ARG 47 2HD ARG 47 6.156 -5.203 0.655 242 2HD ARG 47 1HD ARG 47 6.171 -6.804 -0.084 243 HE ARG 47 HE ARG 47 7.660 -6.035 -1.636 244 1HH1 ARG 47 1HH1 ARG 47 6.183 -3.278 -0.068 245 2HH1 ARG 47 2HH1 ARG 47 7.239 -2.133 -0.821 246 1HH2 ARG 47 1HH2 ARG 47 9.044 -4.522 -2.621 247 2HH2 ARG 47 2HH2 ARG 47 8.861 -2.837 -2.268 248 HA PRO 48 HA PRO 48 4.824 -5.500 -7.108 249 1HB PRO 48 2HB PRO 48 7.581 -5.568 -6.884 250 2HB PRO 48 1HB PRO 48 6.603 -4.102 -6.988 251 1HG PRO 48 2HG PRO 48 7.732 -5.459 -4.575 252 2HG PRO 48 1HG PRO 48 7.642 -3.727 -4.949 253 1HD PRO 48 2HD PRO 48 5.930 -4.840 -3.246 254 2HD PRO 48 1HD PRO 48 5.387 -3.599 -4.390 255 H SER 49 HN SER 49 3.898 -7.759 -6.820 256 HA SER 49 HA SER 49 5.843 -9.875 -6.532 257 1HB SER 49 2HB SER 49 3.493 -10.048 -5.643 258 2HB SER 49 1HB SER 49 2.946 -10.142 -7.316 259 HG SER 49 HG SER 49 4.497 -11.972 -7.455 260 H GLU 50 HN GLU 50 3.731 -8.638 -9.023 261 HA GLU 50 HA GLU 50 5.133 -10.163 -11.053 262 1HB GLU 50 2HB GLU 50 3.244 -9.735 -12.431 263 2HB GLU 50 1HB GLU 50 2.658 -10.252 -10.871 264 1HG GLU 50 2HG GLU 50 2.367 -7.843 -10.301 265 2HG GLU 50 1HG GLU 50 2.696 -7.486 -11.995 266 H ARG 51 HN ARG 51 4.261 -6.936 -10.085 267 HA ARG 51 HA ARG 51 6.073 -5.830 -12.125 268 1HB ARG 51 2HB ARG 51 4.781 -3.626 -11.340 269 2HB ARG 51 1HB ARG 51 4.189 -4.658 -12.631 270 1HG ARG 51 2HG ARG 51 2.795 -5.830 -10.885 271 2HG ARG 51 1HG ARG 51 3.245 -4.532 -9.786 272 1HD ARG 51 2HD ARG 51 1.131 -3.973 -10.738 273 2HD ARG 51 1HD ARG 51 2.340 -2.909 -11.453 274 HE ARG 51 HE ARG 51 1.950 -5.217 -13.052 275 1HH1 ARG 51 1HH1 ARG 51 0.463 -2.161 -12.227 276 2HH1 ARG 51 2HH1 ARG 51 -0.381 -2.028 -13.732 277 1HH2 ARG 51 1HH2 ARG 51 0.837 -5.036 -15.027 278 2HH2 ARG 51 2HH2 ARG 51 -0.171 -3.658 -15.319 279 HA PRO 52 HA PRO 52 8.383 -4.636 -8.458 280 1HB PRO 52 2HB PRO 52 10.756 -4.308 -9.623 281 2HB PRO 52 1HB PRO 52 10.032 -5.916 -9.488 282 1HG PRO 52 2HG PRO 52 10.315 -4.167 -11.862 283 2HG PRO 52 1HG PRO 52 10.231 -5.934 -11.768 284 1HD PRO 52 2HD PRO 52 8.110 -4.097 -12.366 285 2HD PRO 52 1HD PRO 52 8.018 -5.862 -12.232 286 H GLY 53 HN GLY 53 8.087 -2.687 -7.600 287 1HA GLY 53 2HA GLY 53 9.124 -0.449 -7.531 288 2HA GLY 53 1HA GLY 53 8.766 -0.328 -9.242 289 H TRP 54 HN TRP 54 6.169 -1.826 -8.142 290 HA TRP 54 HA TRP 54 4.714 0.629 -7.740 291 1HB TRP 54 2HB TRP 54 2.966 -0.293 -8.863 292 2HB TRP 54 1HB TRP 54 4.283 -1.152 -9.611 293 HD1 TRP 54 1HD TRP 54 4.696 -3.376 -7.313 294 HE1 TRP 54 1HE TRP 54 2.907 -5.224 -7.034 295 HE3 TRP 54 3HE TRP 54 0.814 -1.041 -9.590 296 HZ2 TRP 54 2HZ TRP 54 0.187 -5.620 -7.725 297 HZ3 TRP 54 3HZ TRP 54 -1.360 -2.201 -9.760 298 HH2 TRP 54 2HH TRP 54 -1.663 -4.444 -8.838 299 H CYS 55 HN CYS 55 2.745 0.545 -6.355 300 HA CYS 55 HA CYS 55 2.601 -1.497 -4.352 301 1HB CYS 55 2HB CYS 55 4.261 0.642 -3.736 302 2HB CYS 55 1HB CYS 55 2.789 0.959 -2.856 303 HG CYS 55 HG CYS 55 3.392 -1.788 -2.189 304 H LEU 56 HN LEU 56 0.790 -1.300 -2.992 305 HA LEU 56 HA LEU 56 -1.318 0.395 -4.133 306 1HB LEU 56 2HB LEU 56 -1.262 -2.399 -3.100 307 2HB LEU 56 1HB LEU 56 -2.751 -1.498 -3.115 308 HG LEU 56 HG LEU 56 -2.854 -1.431 -5.447 309 1HD1 LEU 56 1HD1 LEU 56 0.096 -2.029 -5.381 310 2HD1 LEU 56 2HD1 LEU 56 -0.733 -0.656 -6.114 311 3HD1 LEU 56 3HD1 LEU 56 -0.868 -2.257 -6.840 312 1HD2 LEU 56 1HD2 LEU 56 -1.993 -3.882 -6.054 313 2HD2 LEU 56 2HD2 LEU 56 -3.447 -3.584 -5.102 314 3HD2 LEU 56 3HD2 LEU 56 -1.934 -3.986 -4.296 315 H VAL 57 HN VAL 57 -3.089 1.018 -2.677 316 HA VAL 57 HA VAL 57 -2.301 1.118 0.153 317 HB VAL 57 HB VAL 57 -3.356 3.547 0.004 318 1HG1 VAL 57 1HG1 VAL 57 -0.647 2.506 -0.187 319 2HG1 VAL 57 2HG1 VAL 57 -1.299 3.785 0.835 320 3HG1 VAL 57 3HG1 VAL 57 -0.802 4.146 -0.816 321 1HG2 VAL 57 1HG2 VAL 57 -1.939 3.746 -2.565 322 2HG2 VAL 57 2HG2 VAL 57 -3.338 4.635 -1.961 323 3HG2 VAL 57 3HG2 VAL 57 -3.539 3.007 -2.608 324 H ARG 58 HN ARG 58 -3.936 0.465 1.460 325 HA ARG 58 HA ARG 58 -6.664 0.470 0.408 326 1HB ARG 58 2HB ARG 58 -6.164 -1.702 1.110 327 2HB ARG 58 1HB ARG 58 -5.233 -1.144 2.476 328 1HG ARG 58 2HG ARG 58 -7.242 -2.216 3.248 329 2HG ARG 58 1HG ARG 58 -7.313 -0.494 3.619 330 1HD ARG 58 2HD ARG 58 -9.371 -1.745 2.580 331 2HD ARG 58 1HD ARG 58 -8.986 -0.101 2.114 332 HE ARG 58 HE ARG 58 -7.967 -0.961 0.103 333 1HH1 ARG 58 1HH1 ARG 58 -10.041 -3.242 1.842 334 2HH1 ARG 58 2HH1 ARG 58 -10.230 -4.275 0.475 335 1HH2 ARG 58 1HH2 ARG 58 -8.240 -2.391 -1.654 336 2HH2 ARG 58 2HH2 ARG 58 -9.226 -3.801 -1.486 337 H THR 59 HN THR 59 -8.335 1.599 1.465 338 HA THR 59 HA THR 59 -7.452 3.471 3.516 339 HB THR 59 HB THR 59 -9.811 3.355 1.687 340 HG1 THR 59 1HG THR 59 -8.845 5.230 0.822 341 1HG2 THR 59 1HG2 THR 59 -10.439 4.415 3.844 342 2HG2 THR 59 2HG2 THR 59 -10.579 5.454 2.425 343 3HG2 THR 59 3HG2 THR 59 -9.206 5.633 3.518 344 H THR 60 HN THR 60 -8.009 3.169 5.577 345 HA THR 60 HA THR 60 -10.229 1.319 6.146 346 HB THR 60 HB THR 60 -8.219 1.694 8.261 347 HG1 THR 60 1HG THR 60 -7.562 0.366 5.846 348 1HG2 THR 60 1HG2 THR 60 -9.466 -0.062 8.871 349 2HG2 THR 60 2HG2 THR 60 -8.355 -0.953 7.831 350 3HG2 THR 60 3HG2 THR 60 -9.928 -0.447 7.214 351 H GLU 61 HN GLU 61 -9.098 4.517 6.535 352 HA GLU 61 HA GLU 61 -10.614 4.991 8.955 353 1HB GLU 61 2HB GLU 61 -9.177 6.976 7.193 354 2HB GLU 61 1HB GLU 61 -9.806 7.283 8.806 355 1HG GLU 61 2HG GLU 61 -8.234 5.548 9.666 356 2HG GLU 61 1HG GLU 61 -7.530 5.469 8.052 357 H ARG 62 HN ARG 62 -11.712 4.344 6.107 358 HA ARG 62 HA ARG 62 -13.976 6.127 6.311 359 1HB ARG 62 2HB ARG 62 -12.017 6.025 4.105 360 2HB ARG 62 1HB ARG 62 -13.698 5.951 3.608 361 1HG ARG 62 2HG ARG 62 -13.777 7.992 5.382 362 2HG ARG 62 1HG ARG 62 -12.150 8.171 4.726 363 1HD ARG 62 2HD ARG 62 -12.903 8.655 2.619 364 2HD ARG 62 1HD ARG 62 -14.390 7.728 2.821 365 HE ARG 62 HE ARG 62 -14.529 9.898 4.550 366 1HH1 ARG 62 1HH1 ARG 62 -14.398 9.341 1.098 367 2HH1 ARG 62 2HH1 ARG 62 -15.288 10.775 0.713 368 1HH2 ARG 62 1HH2 ARG 62 -15.697 11.779 4.034 369 2HH2 ARG 62 2HH2 ARG 62 -16.024 12.157 2.376 370 H SER 63 HN SER 63 -15.273 4.455 6.952 371 HA SER 63 HA SER 63 -15.233 1.925 5.577 372 1HB SER 63 2HB SER 63 -16.967 1.257 7.171 373 2HB SER 63 1HB SER 63 -15.625 2.036 8.008 374 HG SER 63 HG SER 63 -16.877 3.957 8.041 375 HA PRO 64 HA PRO 64 -16.287 0.259 4.677 376 1HB PRO 64 2HB PRO 64 -16.539 -0.517 2.105 377 2HB PRO 64 1HB PRO 64 -17.864 -0.658 3.267 378 1HG PRO 64 2HG PRO 64 -17.386 1.442 1.187 379 2HG PRO 64 1HG PRO 64 -18.893 0.615 1.617 380 1HD PRO 64 2HD PRO 64 -18.275 3.109 2.496 381 2HD PRO 64 1HD PRO 64 -19.274 1.976 3.428 382 HA PRO 65 HA PRO 65 -12.101 1.277 3.557 383 1HB PRO 65 2HB PRO 65 -12.109 -1.367 2.174 384 2HB PRO 65 1HB PRO 65 -10.924 -0.681 3.292 385 1HG PRO 65 2HG PRO 65 -12.676 -2.526 4.110 386 2HG PRO 65 1HG PRO 65 -12.190 -1.184 5.161 387 1HD PRO 65 2HD PRO 65 -14.750 -1.634 3.734 388 2HD PRO 65 1HD PRO 65 -14.431 -0.738 5.231 389 H GLN 66 HN GLN 66 -10.726 1.605 1.751 390 HA GLN 66 HA GLN 66 -12.020 1.632 -0.842 391 1HB GLN 66 2HB GLN 66 -11.422 3.901 0.779 392 2HB GLN 66 1HB GLN 66 -10.353 3.926 -0.604 393 1HG GLN 66 2HG GLN 66 -12.850 3.329 -1.643 394 2HG GLN 66 1HG GLN 66 -13.145 4.548 -0.406 395 1HE2 GLN 66 1HE2 GLN 66 -10.870 6.055 -0.574 396 2HE2 GLN 66 2HE2 GLN 66 -10.802 6.841 -2.111 397 H GLU 67 HN GLU 67 -10.173 2.071 -2.583 398 HA GLU 67 HA GLU 67 -7.678 0.928 -1.577 399 1HB GLU 67 2HB GLU 67 -8.350 -0.130 -4.211 400 2HB GLU 67 1HB GLU 67 -7.709 -0.938 -2.801 401 1HG GLU 67 2HG GLU 67 -9.971 -1.096 -1.867 402 2HG GLU 67 1HG GLU 67 -10.606 -0.301 -3.304 403 H GLY 68 HN GLY 68 -5.847 1.324 -2.764 404 1HA GLY 68 2HA GLY 68 -6.125 3.282 -4.964 405 2HA GLY 68 1HA GLY 68 -5.142 3.693 -3.574 406 H LEU 69 HN LEU 69 -4.224 3.655 -6.215 407 HA LEU 69 HA LEU 69 -2.132 1.636 -5.976 408 1HB LEU 69 2HB LEU 69 -4.047 1.947 -8.205 409 2HB LEU 69 1HB LEU 69 -2.373 1.662 -8.648 410 HG LEU 69 HG LEU 69 -2.503 -0.290 -6.969 411 1HD1 LEU 69 1HD1 LEU 69 -5.060 -1.128 -7.350 412 2HD1 LEU 69 2HD1 LEU 69 -5.292 0.604 -7.109 413 3HD1 LEU 69 3HD1 LEU 69 -4.465 -0.354 -5.882 414 1HD2 LEU 69 1HD2 LEU 69 -3.137 -1.781 -8.722 415 2HD2 LEU 69 2HD2 LEU 69 -2.279 -0.422 -9.447 416 3HD2 LEU 69 3HD2 LEU 69 -4.037 -0.510 -9.549 417 H VAL 70 HN VAL 70 -0.172 2.323 -6.361 418 HA VAL 70 HA VAL 70 0.457 4.505 -8.111 419 HB VAL 70 HB VAL 70 1.794 5.583 -6.062 420 1HG1 VAL 70 1HG1 VAL 70 -1.000 6.508 -6.131 421 2HG1 VAL 70 2HG1 VAL 70 -0.184 6.397 -7.690 422 3HG1 VAL 70 3HG1 VAL 70 0.501 7.391 -6.404 423 1HG2 VAL 70 1HG2 VAL 70 0.995 5.275 -3.991 424 2HG2 VAL 70 2HG2 VAL 70 0.263 3.812 -4.646 425 3HG2 VAL 70 3HG2 VAL 70 -0.683 5.295 -4.531 426 HA PRO 71 HA PRO 71 4.173 2.224 -7.824 427 1HB PRO 71 2HB PRO 71 6.154 3.976 -8.408 428 2HB PRO 71 1HB PRO 71 5.023 3.326 -9.599 429 1HG PRO 71 2HG PRO 71 5.186 6.033 -8.505 430 2HG PRO 71 1HG PRO 71 4.293 5.454 -9.918 431 1HD PRO 71 2HD PRO 71 3.308 6.007 -7.249 432 2HD PRO 71 1HD PRO 71 2.387 5.593 -8.698 433 H SER 72 HN SER 72 5.994 1.681 -6.629 434 HA SER 72 HA SER 72 5.945 2.099 -3.938 435 1HB SER 72 2HB SER 72 7.208 0.296 -5.117 436 2HB SER 72 1HB SER 72 8.443 1.484 -5.532 437 HG SER 72 HG SER 72 9.024 0.377 -3.651 438 H SER 73 HN SER 73 7.364 4.148 -6.369 439 HA SER 73 HA SER 73 9.186 5.591 -4.819 440 1HB SER 73 2HB SER 73 8.861 7.407 -6.492 441 2HB SER 73 1HB SER 73 9.117 5.831 -7.240 442 HG SER 73 HG SER 73 6.821 7.412 -7.141 443 H THR 74 HN THR 74 5.684 5.786 -5.092 444 HA THR 74 HA THR 74 5.611 8.123 -3.339 445 HB THR 74 HB THR 74 3.480 8.500 -4.120 446 HG1 THR 74 1HG THR 74 2.092 6.958 -4.139 447 1HG2 THR 74 1HG2 THR 74 4.913 8.688 -6.030 448 2HG2 THR 74 2HG2 THR 74 3.353 8.032 -6.512 449 3HG2 THR 74 3HG2 THR 74 4.747 6.968 -6.347 450 H LEU 75 HN LEU 75 5.638 4.818 -3.068 451 HA LEU 75 HA LEU 75 4.084 4.849 -0.611 452 1HB LEU 75 2HB LEU 75 4.584 2.591 -2.544 453 2HB LEU 75 1HB LEU 75 3.718 2.445 -1.027 454 HG LEU 75 HG LEU 75 2.496 4.552 -2.464 455 1HD1 LEU 75 1HD1 LEU 75 1.801 2.606 -4.324 456 2HD1 LEU 75 2HD1 LEU 75 3.557 2.526 -4.238 457 3HD1 LEU 75 3HD1 LEU 75 2.761 4.052 -4.615 458 1HD2 LEU 75 1HD2 LEU 75 0.680 2.604 -2.636 459 2HD2 LEU 75 2HD2 LEU 75 1.035 3.449 -1.129 460 3HD2 LEU 75 3HD2 LEU 75 1.753 1.871 -1.443 461 H CYS 76 HN CYS 76 4.852 2.715 0.616 462 HA CYS 76 HA CYS 76 7.362 3.300 1.699 463 1HB CYS 76 2HB CYS 76 5.599 2.035 2.896 464 2HB CYS 76 1HB CYS 76 5.892 0.659 1.839 465 HG CYS 76 HG CYS 76 7.434 -0.001 3.637 466 H ILE 77 HN ILE 77 9.370 2.278 1.553 467 HA ILE 77 HA ILE 77 9.736 0.444 -0.701 468 HB ILE 77 HB ILE 77 11.710 1.580 -1.468 469 1HG1 ILE 77 2HG1 ILE 77 12.457 2.508 0.719 470 2HG1 ILE 77 1HG1 ILE 77 12.484 3.694 -0.575 471 1HG2 ILE 77 1HG2 ILE 77 9.250 2.330 -2.009 472 2HG2 ILE 77 2HG2 ILE 77 10.640 3.196 -2.661 473 3HG2 ILE 77 3HG2 ILE 77 9.785 3.830 -1.256 474 1HD1 ILE 77 1HD1 ILE 77 11.358 5.037 0.770 475 2HD1 ILE 77 2HD1 ILE 77 11.067 3.741 1.929 476 3HD1 ILE 77 3HD1 ILE 77 9.971 3.970 0.567 477 H SER 78 HN SER 78 11.111 1.783 2.238 478 HA SER 78 HA SER 78 12.479 0.912 3.834 479 1HB SER 78 2HB SER 78 11.807 -1.825 2.761 480 2HB SER 78 1HB SER 78 12.188 -1.363 4.419 481 HG SER 78 HG SER 78 9.989 -1.604 4.293 482 H HIS 79 HN HIS 79 14.485 1.567 3.234 483 HA HIS 79 HA HIS 79 15.943 0.456 1.067 484 1HB HIS 79 2HB HIS 79 17.082 1.948 3.435 485 2HB HIS 79 1HB HIS 79 17.784 1.799 1.827 486 HD1 HIS 79 1HD HIS 79 16.959 4.497 3.377 487 HD2 HIS 79 2HD HIS 79 14.912 2.665 0.259 488 HE1 HIS 79 1HE HIS 79 15.592 6.318 2.310 489 HE2 HIS 79 2HE HIS 79 14.295 5.166 0.481 490 H SER 80 HN SER 80 16.543 0.230 4.580 491 HA SER 80 HA SER 80 18.468 -1.814 4.373 492 1HB SER 80 2HB SER 80 16.786 -1.577 6.833 493 2HB SER 80 1HB SER 80 18.530 -1.789 6.683 494 HG SER 80 HG SER 80 18.755 0.296 6.701 Start of MODEL 5 1 H SER 14 HN SER 14 -7.902 -9.386 -1.351 2 HA SER 14 HA SER 14 -5.094 -9.717 -1.986 3 1HB SER 14 2HB SER 14 -6.247 -7.158 -1.001 4 2HB SER 14 1HB SER 14 -4.734 -7.690 -0.267 5 HG SER 14 HG SER 14 -5.265 -6.882 -2.880 6 H GLY 15 HN GLY 15 -5.215 -11.657 -0.860 7 1HA GLY 15 2HA GLY 15 -6.368 -12.033 1.662 8 2HA GLY 15 1HA GLY 15 -5.090 -13.026 0.977 9 H GLY 16 HN GLY 16 -3.294 -10.652 0.768 10 1HA GLY 16 2HA GLY 16 -2.506 -10.597 3.609 11 2HA GLY 16 1HA GLY 16 -1.399 -10.439 2.253 12 H CYS 17 HN CYS 17 -2.183 -8.724 4.672 13 HA CYS 17 HA CYS 17 -2.320 -6.217 3.169 14 1HB CYS 17 2HB CYS 17 -3.652 -5.356 5.262 15 2HB CYS 17 1HB CYS 17 -4.486 -6.152 3.938 16 HG CYS 17 HG CYS 17 -5.370 -7.196 6.121 17 H GLU 18 HN GLU 18 -0.757 -4.864 3.690 18 HA GLU 18 HA GLU 18 0.511 -5.126 6.330 19 1HB GLU 18 2HB GLU 18 1.976 -6.184 4.695 20 2HB GLU 18 1HB GLU 18 1.931 -4.746 3.688 21 1HG GLU 18 2HG GLU 18 3.982 -4.659 4.807 22 2HG GLU 18 1HG GLU 18 2.944 -3.513 5.655 23 H LEU 19 HN LEU 19 1.337 -3.207 7.196 24 HA LEU 19 HA LEU 19 -0.082 -0.859 6.341 25 1HB LEU 19 2HB LEU 19 2.101 -0.657 8.335 26 2HB LEU 19 1HB LEU 19 0.563 0.170 8.284 27 HG LEU 19 HG LEU 19 1.060 -2.666 9.164 28 1HD1 LEU 19 1HD1 LEU 19 -0.088 -1.709 11.238 29 2HD1 LEU 19 2HD1 LEU 19 0.260 -0.127 10.541 30 3HD1 LEU 19 3HD1 LEU 19 1.580 -1.229 10.931 31 1HD2 LEU 19 1HD2 LEU 19 -0.986 -2.710 7.938 32 2HD2 LEU 19 2HD2 LEU 19 -1.531 -1.208 8.682 33 3HD2 LEU 19 3HD2 LEU 19 -1.398 -2.675 9.652 34 H THR 20 HN THR 20 0.657 0.846 5.257 35 HA THR 20 HA THR 20 3.501 1.010 4.592 36 HB THR 20 HB THR 20 1.197 0.852 2.646 37 HG1 THR 20 1HG THR 20 2.289 -1.086 3.433 38 1HG2 THR 20 1HG2 THR 20 2.277 2.178 1.249 39 2HG2 THR 20 2HG2 THR 20 3.504 0.916 1.141 40 3HG2 THR 20 3HG2 THR 20 3.700 2.241 2.286 41 H VAL 21 HN VAL 21 4.233 3.081 4.012 42 HA VAL 21 HA VAL 21 2.336 5.268 4.545 43 HB VAL 21 HB VAL 21 4.548 6.564 5.020 44 1HG1 VAL 21 1HG1 VAL 21 4.151 6.361 7.281 45 2HG1 VAL 21 2HG1 VAL 21 3.821 4.632 7.174 46 3HG1 VAL 21 3HG1 VAL 21 2.629 5.795 6.593 47 1HG2 VAL 21 1HG2 VAL 21 5.793 4.312 4.369 48 2HG2 VAL 21 2HG2 VAL 21 5.572 3.999 6.090 49 3HG2 VAL 21 3HG2 VAL 21 6.445 5.436 5.561 50 H VAL 22 HN VAL 22 2.075 6.755 2.969 51 HA VAL 22 HA VAL 22 3.432 6.331 0.476 52 HB VAL 22 HB VAL 22 2.021 8.511 -0.081 53 1HG1 VAL 22 1HG1 VAL 22 0.078 6.856 -0.509 54 2HG1 VAL 22 2HG1 VAL 22 1.240 5.654 0.056 55 3HG1 VAL 22 3HG1 VAL 22 1.615 6.652 -1.349 56 1HG2 VAL 22 1HG2 VAL 22 0.298 7.265 2.030 57 2HG2 VAL 22 2HG2 VAL 22 -0.007 8.729 1.094 58 3HG2 VAL 22 3HG2 VAL 22 1.264 8.713 2.315 59 H LEU 23 HN LEU 23 5.156 7.330 -0.208 60 HA LEU 23 HA LEU 23 6.428 9.302 1.374 61 1HB LEU 23 2HB LEU 23 7.407 8.712 -1.368 62 2HB LEU 23 1HB LEU 23 8.315 8.968 0.108 63 HG LEU 23 HG LEU 23 6.868 6.462 -0.733 64 1HD1 LEU 23 1HD1 LEU 23 9.300 7.239 -1.478 65 2HD1 LEU 23 2HD1 LEU 23 8.903 5.553 -1.146 66 3HD1 LEU 23 3HD1 LEU 23 9.713 6.525 0.082 67 1HD2 LEU 23 1HD2 LEU 23 6.459 6.356 1.516 68 2HD2 LEU 23 2HD2 LEU 23 7.861 7.343 1.930 69 3HD2 LEU 23 3HD2 LEU 23 8.076 5.654 1.467 70 H GLN 24 HN GLN 24 4.400 9.456 -1.475 71 HA GLN 24 HA GLN 24 4.702 12.353 -1.378 72 1HB GLN 24 2HB GLN 24 5.316 12.634 -3.551 73 2HB GLN 24 1HB GLN 24 6.099 11.111 -3.222 74 1HG GLN 24 2HG GLN 24 5.069 10.197 -4.932 75 2HG GLN 24 1HG GLN 24 3.500 10.553 -4.230 76 1HE2 GLN 24 1HE2 GLN 24 4.992 10.756 -6.985 77 2HE2 GLN 24 2HE2 GLN 24 4.403 12.258 -7.602 78 H ASP 25 HN ASP 25 2.868 13.527 -2.236 79 HA ASP 25 HA ASP 25 0.410 12.222 -1.650 80 1HB ASP 25 2HB ASP 25 -0.043 14.607 -3.227 81 2HB ASP 25 1HB ASP 25 -0.488 14.262 -1.575 82 H PHE 26 HN PHE 26 -1.232 11.652 -3.027 83 HA PHE 26 HA PHE 26 -0.739 11.688 -5.894 84 1HB PHE 26 2HB PHE 26 0.189 9.542 -4.985 85 2HB PHE 26 1HB PHE 26 -1.438 9.104 -4.515 86 HD1 PHE 26 1HD PHE 26 0.758 9.769 -7.382 87 HD2 PHE 26 2HD PHE 26 -3.045 8.356 -6.095 88 HE1 PHE 26 1HE PHE 26 0.337 8.872 -9.632 89 HE2 PHE 26 2HE PHE 26 -3.471 7.456 -8.344 90 HZ PHE 26 HZ PHE 26 -1.781 7.711 -10.116 91 H SER 27 HN SER 27 -2.588 11.292 -7.157 92 HA SER 27 HA SER 27 -5.112 11.372 -5.701 93 1HB SER 27 2HB SER 27 -5.703 12.720 -7.933 94 2HB SER 27 1HB SER 27 -5.090 13.515 -6.495 95 HG SER 27 HG SER 27 -4.058 13.625 -8.860 96 H ALA 28 HN ALA 28 -6.644 10.038 -6.506 97 HA ALA 28 HA ALA 28 -6.052 7.798 -7.881 98 1HB ALA 28 1HB ALA 28 -8.141 8.492 -6.536 99 2HB ALA 28 2HB ALA 28 -8.291 7.274 -7.798 100 3HB ALA 28 3HB ALA 28 -8.789 8.933 -8.109 101 H ALA 29 HN ALA 29 -7.618 7.157 -9.825 102 HA ALA 29 HA ALA 29 -8.081 8.807 -11.983 103 1HB ALA 29 1HB ALA 29 -5.279 7.705 -11.971 104 2HB ALA 29 2HB ALA 29 -5.795 9.376 -12.198 105 3HB ALA 29 3HB ALA 29 -6.108 8.179 -13.454 106 H HIS 30 HN HIS 30 -7.015 5.670 -10.834 107 HA HIS 30 HA HIS 30 -8.422 4.385 -13.057 108 1HB HIS 30 2HB HIS 30 -5.936 3.845 -12.164 109 2HB HIS 30 1HB HIS 30 -6.863 2.710 -11.187 110 HD1 HIS 30 1HD HIS 30 -6.564 0.509 -12.279 111 HD2 HIS 30 2HD HIS 30 -7.313 3.522 -15.040 112 HE1 HIS 30 1HE HIS 30 -6.750 -0.649 -14.504 113 HE2 HIS 30 2HE HIS 30 -7.117 1.205 -16.170 114 H SER 31 HN SER 31 -9.246 2.125 -12.307 115 HA SER 31 HA SER 31 -11.627 2.415 -11.028 116 1HB SER 31 2HB SER 31 -10.401 0.354 -12.270 117 2HB SER 31 1HB SER 31 -10.349 -0.217 -10.602 118 HG SER 31 HG SER 31 -12.612 0.097 -10.510 119 H SER 32 HN SER 32 -8.959 0.652 -9.460 120 HA SER 32 HA SER 32 -10.151 1.263 -6.879 121 1HB SER 32 2HB SER 32 -7.650 -0.346 -7.120 122 2HB SER 32 1HB SER 32 -9.030 -0.564 -6.044 123 HG SER 32 HG SER 32 -8.655 -1.428 -8.666 124 H GLU 33 HN GLU 33 -9.053 3.549 -8.115 125 HA GLU 33 HA GLU 33 -6.555 3.980 -6.665 126 1HB GLU 33 2HB GLU 33 -7.779 5.105 -9.116 127 2HB GLU 33 1HB GLU 33 -6.767 6.159 -8.160 128 1HG GLU 33 2HG GLU 33 -5.319 3.854 -8.311 129 2HG GLU 33 1HG GLU 33 -6.060 4.001 -9.897 130 H LEU 34 HN LEU 34 -6.267 5.926 -5.497 131 HA LEU 34 HA LEU 34 -8.536 7.584 -4.912 132 1HB LEU 34 2HB LEU 34 -7.952 7.178 -2.377 133 2HB LEU 34 1HB LEU 34 -9.167 6.253 -3.228 134 HG LEU 34 HG LEU 34 -7.168 4.579 -3.646 135 1HD1 LEU 34 1HD1 LEU 34 -5.345 5.684 -2.735 136 2HD1 LEU 34 2HD1 LEU 34 -5.844 4.598 -1.437 137 3HD1 LEU 34 3HD1 LEU 34 -6.277 6.307 -1.373 138 1HD2 LEU 34 1HD2 LEU 34 -8.696 4.974 -1.081 139 2HD2 LEU 34 2HD2 LEU 34 -7.757 3.527 -1.446 140 3HD2 LEU 34 3HD2 LEU 34 -9.136 3.962 -2.456 141 H SER 35 HN SER 35 -7.922 9.359 -3.414 142 HA SER 35 HA SER 35 -5.304 10.309 -4.099 143 1HB SER 35 2HB SER 35 -6.342 12.362 -2.748 144 2HB SER 35 1HB SER 35 -6.736 12.063 -4.439 145 HG SER 35 HG SER 35 -8.601 12.397 -3.135 146 H ILE 36 HN ILE 36 -3.689 10.485 -2.820 147 HA ILE 36 HA ILE 36 -4.038 10.150 0.075 148 HB ILE 36 HB ILE 36 -1.924 8.846 0.126 149 1HG1 ILE 36 2HG1 ILE 36 -1.569 7.737 -2.291 150 2HG1 ILE 36 1HG1 ILE 36 -2.157 9.310 -2.791 151 1HG2 ILE 36 1HG2 ILE 36 -4.407 7.946 -0.177 152 2HG2 ILE 36 2HG2 ILE 36 -3.018 6.861 -0.113 153 3HG2 ILE 36 3HG2 ILE 36 -3.717 7.305 -1.669 154 1HD1 ILE 36 1HD1 ILE 36 0.319 9.095 -2.667 155 2HD1 ILE 36 2HD1 ILE 36 0.151 8.931 -0.918 156 3HD1 ILE 36 3HD1 ILE 36 -0.363 10.415 -1.718 157 H GLN 37 HN GLN 37 -1.965 10.771 1.218 158 HA GLN 37 HA GLN 37 -0.676 13.049 -0.069 159 1HB GLN 37 2HB GLN 37 -2.166 12.857 2.482 160 2HB GLN 37 1HB GLN 37 -0.706 13.820 2.494 161 1HG GLN 37 2HG GLN 37 -1.877 15.514 1.682 162 2HG GLN 37 1HG GLN 37 -2.089 14.595 0.193 163 1HE2 GLN 37 1HE2 GLN 37 -4.126 14.867 -0.395 164 2HE2 GLN 37 2HE2 GLN 37 -5.509 14.651 0.617 165 H VAL 38 HN VAL 38 1.385 13.647 0.919 166 HA VAL 38 HA VAL 38 3.026 11.346 1.369 167 HB VAL 38 HB VAL 38 3.960 13.192 0.162 168 1HG1 VAL 38 1HG1 VAL 38 2.751 14.780 2.263 169 2HG1 VAL 38 2HG1 VAL 38 3.178 15.216 0.610 170 3HG1 VAL 38 3HG1 VAL 38 4.396 15.289 1.883 171 1HG2 VAL 38 1HG2 VAL 38 5.396 11.911 1.902 172 2HG2 VAL 38 2HG2 VAL 38 5.386 13.439 2.783 173 3HG2 VAL 38 3HG2 VAL 38 6.054 13.367 1.152 174 H GLY 39 HN GLY 39 3.324 10.339 3.273 175 1HA GLY 39 2HA GLY 39 4.264 10.550 5.501 176 2HA GLY 39 1HA GLY 39 3.284 11.981 5.726 177 H GLN 40 HN GLN 40 0.972 10.397 4.453 178 HA GLN 40 HA GLN 40 -0.079 9.511 6.914 179 1HB GLN 40 2HB GLN 40 -2.053 8.994 5.698 180 2HB GLN 40 1HB GLN 40 -1.439 10.532 5.163 181 1HG GLN 40 2HG GLN 40 -0.479 9.488 3.234 182 2HG GLN 40 1HG GLN 40 -1.045 7.918 3.777 183 1HE2 GLN 40 1HE2 GLN 40 -2.474 7.391 2.230 184 2HE2 GLN 40 2HE2 GLN 40 -3.866 8.325 1.813 185 H THR 41 HN THR 41 -1.195 7.356 7.086 186 HA THR 41 HA THR 41 0.574 5.262 6.004 187 HB THR 41 HB THR 41 -0.604 5.466 8.768 188 HG1 THR 41 1HG THR 41 1.518 5.253 9.374 189 1HG2 THR 41 1HG2 THR 41 0.420 3.173 9.151 190 2HG2 THR 41 2HG2 THR 41 0.452 2.995 7.397 191 3HG2 THR 41 3HG2 THR 41 -1.085 3.204 8.233 192 H VAL 42 HN VAL 42 -0.391 4.007 4.655 193 HA VAL 42 HA VAL 42 -3.036 3.014 5.316 194 HB VAL 42 HB VAL 42 -2.377 4.569 2.902 195 1HG1 VAL 42 1HG1 VAL 42 -4.090 3.143 1.599 196 2HG1 VAL 42 2HG1 VAL 42 -3.621 1.875 2.724 197 3HG1 VAL 42 3HG1 VAL 42 -2.416 2.596 1.686 198 1HG2 VAL 42 1HG2 VAL 42 -4.839 3.820 4.440 199 2HG2 VAL 42 2HG2 VAL 42 -4.945 4.630 2.876 200 3HG2 VAL 42 3HG2 VAL 42 -4.114 5.412 4.220 201 H GLU 43 HN GLU 43 -3.257 0.916 4.958 202 HA GLU 43 HA GLU 43 -0.870 -0.567 4.639 203 1HB GLU 43 2HB GLU 43 -2.257 -2.518 5.108 204 2HB GLU 43 1HB GLU 43 -2.611 -1.219 6.239 205 1HG GLU 43 2HG GLU 43 -4.530 -0.598 4.688 206 2HG GLU 43 1HG GLU 43 -4.253 -2.154 3.905 207 H LEU 44 HN LEU 44 -0.091 -1.626 2.900 208 HA LEU 44 HA LEU 44 -1.373 -1.250 0.401 209 1HB LEU 44 2HB LEU 44 0.492 -2.625 -0.486 210 2HB LEU 44 1HB LEU 44 0.949 -1.159 0.321 211 HG LEU 44 HG LEU 44 1.485 -2.575 2.353 212 1HD1 LEU 44 1HD1 LEU 44 0.546 -4.620 2.234 213 2HD1 LEU 44 2HD1 LEU 44 2.019 -5.024 1.355 214 3HD1 LEU 44 3HD1 LEU 44 0.543 -4.635 0.472 215 1HD2 LEU 44 1HD2 LEU 44 3.023 -3.191 -0.163 216 2HD2 LEU 44 2HD2 LEU 44 3.627 -3.288 1.490 217 3HD2 LEU 44 3HD2 LEU 44 3.196 -1.724 0.799 218 H LEU 45 HN LEU 45 -2.098 -2.712 -1.001 219 HA LEU 45 HA LEU 45 -3.578 -4.879 0.153 220 1HB LEU 45 2HB LEU 45 -3.318 -4.389 -2.795 221 2HB LEU 45 1HB LEU 45 -4.669 -5.072 -1.914 222 HG LEU 45 HG LEU 45 -3.878 -2.176 -1.591 223 1HD1 LEU 45 1HD1 LEU 45 -6.067 -2.099 -3.185 224 2HD1 LEU 45 2HD1 LEU 45 -5.242 -3.511 -3.836 225 3HD1 LEU 45 3HD1 LEU 45 -4.416 -1.958 -3.778 226 1HD2 LEU 45 1HD2 LEU 45 -6.183 -1.929 -0.874 227 2HD2 LEU 45 2HD2 LEU 45 -5.341 -3.126 0.112 228 3HD2 LEU 45 3HD2 LEU 45 -6.464 -3.649 -1.142 229 H GLU 46 HN GLU 46 -1.184 -4.787 -2.533 230 HA GLU 46 HA GLU 46 -0.293 -7.416 -1.668 231 1HB GLU 46 2HB GLU 46 -0.242 -8.190 -3.927 232 2HB GLU 46 1HB GLU 46 -1.844 -7.571 -3.609 233 1HG GLU 46 2HG GLU 46 -1.666 -5.967 -5.153 234 2HG GLU 46 1HG GLU 46 0.020 -5.627 -4.768 235 H ARG 47 HN ARG 47 1.620 -7.580 -3.856 236 HA ARG 47 HA ARG 47 3.423 -5.339 -3.293 237 1HB ARG 47 2HB ARG 47 3.760 -8.164 -2.541 238 2HB ARG 47 1HB ARG 47 5.158 -7.449 -3.329 239 1HG ARG 47 2HG ARG 47 4.753 -5.522 -1.594 240 2HG ARG 47 1HG ARG 47 3.916 -6.799 -0.706 241 1HD ARG 47 2HD ARG 47 6.149 -8.120 -1.350 242 2HD ARG 47 1HD ARG 47 6.794 -6.479 -1.328 243 HE ARG 47 HE ARG 47 6.547 -6.438 0.953 244 1HH1 ARG 47 1HH1 ARG 47 4.812 -9.196 -0.322 245 2HH1 ARG 47 2HH1 ARG 47 4.512 -9.879 1.240 246 1HH2 ARG 47 1HH2 ARG 47 6.148 -7.344 2.999 247 2HH2 ARG 47 2HH2 ARG 47 5.269 -8.831 3.122 248 HA PRO 48 HA PRO 48 4.710 -5.440 -7.536 249 1HB PRO 48 2HB PRO 48 7.442 -5.607 -7.425 250 2HB PRO 48 1HB PRO 48 6.528 -4.121 -7.152 251 1HG PRO 48 2HG PRO 48 7.685 -6.032 -5.161 252 2HG PRO 48 1HG PRO 48 7.681 -4.258 -5.141 253 1HD PRO 48 2HD PRO 48 5.970 -5.673 -3.650 254 2HD PRO 48 1HD PRO 48 5.484 -4.147 -4.413 255 H SER 49 HN SER 49 3.699 -7.714 -7.505 256 HA SER 49 HA SER 49 5.583 -9.894 -7.625 257 1HB SER 49 2HB SER 49 3.174 -10.001 -6.716 258 2HB SER 49 1HB SER 49 2.698 -10.086 -8.412 259 HG SER 49 HG SER 49 3.164 -12.121 -8.308 260 H GLU 50 HN GLU 50 3.414 -8.268 -9.833 261 HA GLU 50 HA GLU 50 4.627 -9.589 -12.104 262 1HB GLU 50 2HB GLU 50 2.751 -8.820 -13.330 263 2HB GLU 50 1HB GLU 50 2.161 -9.453 -11.815 264 1HG GLU 50 2HG GLU 50 2.150 -7.103 -10.970 265 2HG GLU 50 1HG GLU 50 2.442 -6.598 -12.634 266 H ARG 51 HN ARG 51 4.133 -6.446 -10.691 267 HA ARG 51 HA ARG 51 6.046 -5.300 -12.616 268 1HB ARG 51 2HB ARG 51 4.942 -3.068 -11.663 269 2HB ARG 51 1HB ARG 51 4.283 -3.924 -13.045 270 1HG ARG 51 2HG ARG 51 2.795 -5.126 -11.337 271 2HG ARG 51 1HG ARG 51 3.277 -3.846 -10.232 272 1HD ARG 51 2HD ARG 51 1.183 -3.273 -11.299 273 2HD ARG 51 1HD ARG 51 2.454 -2.175 -11.837 274 HE ARG 51 HE ARG 51 2.420 -4.147 -13.719 275 1HH1 ARG 51 1HH1 ARG 51 0.007 -1.971 -12.423 276 2HH1 ARG 51 2HH1 ARG 51 -0.907 -1.920 -13.892 277 1HH2 ARG 51 1HH2 ARG 51 1.213 -4.074 -15.645 278 2HH2 ARG 51 2HH2 ARG 51 -0.225 -3.111 -15.718 279 HA PRO 52 HA PRO 52 8.384 -4.610 -8.855 280 1HB PRO 52 2HB PRO 52 10.762 -4.220 -9.970 281 2HB PRO 52 1HB PRO 52 9.973 -5.797 -10.082 282 1HG PRO 52 2HG PRO 52 10.310 -3.703 -12.156 283 2HG PRO 52 1HG PRO 52 10.193 -5.460 -12.340 284 1HD PRO 52 2HD PRO 52 8.108 -3.519 -12.648 285 2HD PRO 52 1HD PRO 52 7.978 -5.285 -12.763 286 H GLY 53 HN GLY 53 8.155 -2.789 -7.732 287 1HA GLY 53 2HA GLY 53 9.252 -0.632 -7.330 288 2HA GLY 53 1HA GLY 53 8.975 -0.263 -9.018 289 H TRP 54 HN TRP 54 6.264 -1.759 -8.195 290 HA TRP 54 HA TRP 54 4.908 0.697 -7.574 291 1HB TRP 54 2HB TRP 54 3.152 -0.025 -8.815 292 2HB TRP 54 1HB TRP 54 4.448 -0.870 -9.616 293 HD1 TRP 54 1HD TRP 54 4.671 -3.297 -7.474 294 HE1 TRP 54 1HE TRP 54 2.801 -5.088 -7.458 295 HE3 TRP 54 3HE TRP 54 1.028 -0.615 -9.752 296 HZ2 TRP 54 2HZ TRP 54 0.114 -5.307 -8.338 297 HZ3 TRP 54 3HZ TRP 54 -1.171 -1.664 -10.156 298 HH2 TRP 54 2HH TRP 54 -1.618 -3.961 -9.451 299 H CYS 55 HN CYS 55 2.881 0.555 -6.267 300 HA CYS 55 HA CYS 55 2.655 -1.633 -4.417 301 1HB CYS 55 2HB CYS 55 4.418 0.172 -3.561 302 2HB CYS 55 1HB CYS 55 2.960 0.895 -2.928 303 HG CYS 55 HG CYS 55 3.718 -0.652 -1.080 304 H LEU 56 HN LEU 56 0.844 -1.519 -3.054 305 HA LEU 56 HA LEU 56 -1.270 0.198 -4.137 306 1HB LEU 56 2HB LEU 56 -1.180 -2.575 -3.059 307 2HB LEU 56 1HB LEU 56 -2.670 -1.674 -3.013 308 HG LEU 56 HG LEU 56 -2.840 -1.580 -5.358 309 1HD1 LEU 56 1HD1 LEU 56 -0.628 -0.939 -6.000 310 2HD1 LEU 56 2HD1 LEU 56 -0.995 -2.449 -6.833 311 3HD1 LEU 56 3HD1 LEU 56 0.048 -2.458 -5.411 312 1HD2 LEU 56 1HD2 LEU 56 -1.961 -4.187 -4.246 313 2HD2 LEU 56 2HD2 LEU 56 -2.230 -4.055 -5.982 314 3HD2 LEU 56 3HD2 LEU 56 -3.537 -3.693 -4.856 315 H VAL 57 HN VAL 57 -3.007 0.857 -2.653 316 HA VAL 57 HA VAL 57 -2.177 1.026 0.158 317 HB VAL 57 HB VAL 57 -3.162 3.485 -0.051 318 1HG1 VAL 57 1HG1 VAL 57 -0.568 3.923 -0.930 319 2HG1 VAL 57 2HG1 VAL 57 -0.509 2.341 -0.155 320 3HG1 VAL 57 3HG1 VAL 57 -1.099 3.739 0.740 321 1HG2 VAL 57 1HG2 VAL 57 -3.491 2.977 -2.584 322 2HG2 VAL 57 2HG2 VAL 57 -1.788 3.420 -2.679 323 3HG2 VAL 57 3HG2 VAL 57 -2.966 4.570 -2.044 324 H ARG 58 HN ARG 58 -3.823 0.494 1.524 325 HA ARG 58 HA ARG 58 -6.550 0.470 0.471 326 1HB ARG 58 2HB ARG 58 -6.044 -1.671 1.262 327 2HB ARG 58 1HB ARG 58 -5.153 -1.051 2.627 328 1HG ARG 58 2HG ARG 58 -7.180 -2.108 3.381 329 2HG ARG 58 1HG ARG 58 -7.255 -0.376 3.698 330 1HD ARG 58 2HD ARG 58 -9.291 -1.662 2.656 331 2HD ARG 58 1HD ARG 58 -8.904 -0.030 2.158 332 HE ARG 58 HE ARG 58 -7.863 -0.936 0.175 333 1HH1 ARG 58 1HH1 ARG 58 -9.936 -3.186 1.952 334 2HH1 ARG 58 2HH1 ARG 58 -10.109 -4.250 0.606 335 1HH2 ARG 58 1HH2 ARG 58 -8.109 -2.405 -1.546 336 2HH2 ARG 58 2HH2 ARG 58 -9.092 -3.814 -1.359 337 H THR 59 HN THR 59 -8.237 1.629 1.449 338 HA THR 59 HA THR 59 -7.392 3.595 3.429 339 HB THR 59 HB THR 59 -9.627 3.395 1.464 340 HG1 THR 59 1HG THR 59 -7.644 4.234 0.758 341 1HG2 THR 59 1HG2 THR 59 -10.719 4.354 3.367 342 2HG2 THR 59 2HG2 THR 59 -10.421 5.608 2.162 343 3HG2 THR 59 3HG2 THR 59 -9.391 5.494 3.590 344 H THR 60 HN THR 60 -8.008 3.433 5.485 345 HA THR 60 HA THR 60 -10.205 1.582 6.134 346 HB THR 60 HB THR 60 -8.242 0.539 6.913 347 HG1 THR 60 1HG THR 60 -9.599 0.388 8.580 348 1HG2 THR 60 1HG2 THR 60 -6.689 1.765 8.512 349 2HG2 THR 60 2HG2 THR 60 -7.392 3.246 7.862 350 3HG2 THR 60 3HG2 THR 60 -6.544 2.130 6.793 351 H GLU 61 HN GLU 61 -9.107 4.810 6.361 352 HA GLU 61 HA GLU 61 -10.633 5.390 8.752 353 1HB GLU 61 2HB GLU 61 -9.299 7.374 6.916 354 2HB GLU 61 1HB GLU 61 -9.790 7.624 8.587 355 1HG GLU 61 2HG GLU 61 -8.094 6.090 9.356 356 2HG GLU 61 1HG GLU 61 -7.644 5.712 7.694 357 H ARG 62 HN ARG 62 -11.718 4.593 5.936 358 HA ARG 62 HA ARG 62 -13.999 6.353 6.052 359 1HB ARG 62 2HB ARG 62 -12.864 7.477 4.350 360 2HB ARG 62 1HB ARG 62 -12.113 6.014 3.743 361 1HG ARG 62 2HG ARG 62 -13.779 5.588 2.333 362 2HG ARG 62 1HG ARG 62 -15.020 6.044 3.501 363 1HD ARG 62 2HD ARG 62 -13.983 8.466 2.976 364 2HD ARG 62 1HD ARG 62 -13.657 7.669 1.437 365 HE ARG 62 HE ARG 62 -16.258 7.084 1.902 366 1HH1 ARG 62 1HH1 ARG 62 -14.464 10.087 1.845 367 2HH1 ARG 62 2HH1 ARG 62 -15.820 11.026 1.323 368 1HH2 ARG 62 1HH2 ARG 62 -18.034 8.325 1.215 369 2HH2 ARG 62 2HH2 ARG 62 -17.844 10.028 0.966 370 H SER 63 HN SER 63 -15.266 4.693 6.781 371 HA SER 63 HA SER 63 -15.168 2.089 5.550 372 1HB SER 63 2HB SER 63 -15.553 2.253 7.953 373 2HB SER 63 1HB SER 63 -17.012 3.203 7.673 374 HG SER 63 HG SER 63 -16.559 0.471 7.303 375 HA PRO 64 HA PRO 64 -16.189 0.351 4.753 376 1HB PRO 64 2HB PRO 64 -16.590 -0.089 1.898 377 2HB PRO 64 1HB PRO 64 -17.208 -1.020 3.264 378 1HG PRO 64 2HG PRO 64 -18.801 0.485 1.674 379 2HG PRO 64 1HG PRO 64 -19.148 0.198 3.387 380 1HD PRO 64 2HD PRO 64 -17.920 2.597 2.073 381 2HD PRO 64 1HD PRO 64 -19.140 2.521 3.363 382 HA PRO 65 HA PRO 65 -12.030 1.390 3.555 383 1HB PRO 65 2HB PRO 65 -11.982 -1.328 2.324 384 2HB PRO 65 1HB PRO 65 -10.811 -0.554 3.399 385 1HG PRO 65 2HG PRO 65 -12.517 -2.389 4.324 386 2HG PRO 65 1HG PRO 65 -12.066 -0.978 5.296 387 1HD PRO 65 2HD PRO 65 -14.611 -1.570 3.892 388 2HD PRO 65 1HD PRO 65 -14.321 -0.591 5.342 389 H GLN 66 HN GLN 66 -10.709 1.746 1.759 390 HA GLN 66 HA GLN 66 -12.004 1.584 -0.834 391 1HB GLN 66 2HB GLN 66 -11.316 3.942 0.674 392 2HB GLN 66 1HB GLN 66 -10.391 3.889 -0.806 393 1HG GLN 66 2HG GLN 66 -12.553 3.541 -2.022 394 2HG GLN 66 1HG GLN 66 -13.364 3.885 -0.495 395 1HE2 GLN 66 1HE2 GLN 66 -10.584 5.313 -2.183 396 2HE2 GLN 66 2HE2 GLN 66 -11.182 6.933 -2.152 397 H GLU 67 HN GLU 67 -10.152 1.962 -2.599 398 HA GLU 67 HA GLU 67 -7.671 0.831 -1.541 399 1HB GLU 67 2HB GLU 67 -8.376 -0.238 -4.174 400 2HB GLU 67 1HB GLU 67 -7.660 -1.026 -2.794 401 1HG GLU 67 2HG GLU 67 -9.654 -2.147 -2.997 402 2HG GLU 67 1HG GLU 67 -10.056 -0.915 -1.800 403 H GLY 68 HN GLY 68 -5.828 1.201 -2.718 404 1HA GLY 68 2HA GLY 68 -6.073 3.141 -4.935 405 2HA GLY 68 1HA GLY 68 -5.119 3.569 -3.534 406 H LEU 69 HN LEU 69 -4.104 3.548 -6.100 407 HA LEU 69 HA LEU 69 -2.036 1.512 -5.831 408 1HB LEU 69 2HB LEU 69 -3.890 1.875 -8.110 409 2HB LEU 69 1HB LEU 69 -2.210 1.555 -8.502 410 HG LEU 69 HG LEU 69 -2.436 -0.412 -6.850 411 1HD1 LEU 69 1HD1 LEU 69 -5.031 -1.147 -7.346 412 2HD1 LEU 69 2HD1 LEU 69 -5.181 0.577 -7.005 413 3HD1 LEU 69 3HD1 LEU 69 -4.426 -0.493 -5.826 414 1HD2 LEU 69 1HD2 LEU 69 -2.443 -0.252 -9.511 415 2HD2 LEU 69 2HD2 LEU 69 -4.051 -0.935 -9.270 416 3HD2 LEU 69 3HD2 LEU 69 -2.632 -1.776 -8.645 417 H VAL 70 HN VAL 70 -0.045 2.216 -6.182 418 HA VAL 70 HA VAL 70 0.560 4.454 -7.878 419 HB VAL 70 HB VAL 70 1.897 5.430 -5.729 420 1HG1 VAL 70 1HG1 VAL 70 -0.270 6.978 -5.569 421 2HG1 VAL 70 2HG1 VAL 70 -0.641 6.129 -7.069 422 3HG1 VAL 70 3HG1 VAL 70 0.859 7.043 -6.921 423 1HG2 VAL 70 1HG2 VAL 70 -0.729 5.157 -4.419 424 2HG2 VAL 70 2HG2 VAL 70 0.891 5.203 -3.724 425 3HG2 VAL 70 3HG2 VAL 70 0.275 3.707 -4.423 426 HA PRO 71 HA PRO 71 4.329 2.257 -7.678 427 1HB PRO 71 2HB PRO 71 6.260 4.022 -8.251 428 2HB PRO 71 1HB PRO 71 5.061 3.490 -9.436 429 1HG PRO 71 2HG PRO 71 5.278 6.078 -8.022 430 2HG PRO 71 1HG PRO 71 4.480 5.700 -9.557 431 1HD PRO 71 2HD PRO 71 3.273 6.007 -6.979 432 2HD PRO 71 1HD PRO 71 2.481 5.578 -8.499 433 H SER 72 HN SER 72 6.135 1.695 -6.479 434 HA SER 72 HA SER 72 6.090 2.092 -3.781 435 1HB SER 72 2HB SER 72 7.345 0.291 -4.958 436 2HB SER 72 1HB SER 72 8.574 1.477 -5.398 437 HG SER 72 HG SER 72 8.280 0.122 -3.099 438 H SER 73 HN SER 73 7.500 4.152 -6.206 439 HA SER 73 HA SER 73 9.327 5.586 -4.642 440 1HB SER 73 2HB SER 73 7.678 6.423 -7.036 441 2HB SER 73 1HB SER 73 8.935 7.432 -6.322 442 HG SER 73 HG SER 73 9.154 5.123 -7.844 443 H THR 74 HN THR 74 5.828 5.835 -5.001 444 HA THR 74 HA THR 74 5.760 8.144 -3.199 445 HB THR 74 HB THR 74 3.729 8.647 -4.094 446 HG1 THR 74 1HG THR 74 3.351 5.892 -4.426 447 1HG2 THR 74 1HG2 THR 74 5.260 8.596 -5.970 448 2HG2 THR 74 2HG2 THR 74 3.610 8.203 -6.455 449 3HG2 THR 74 3HG2 THR 74 4.811 6.925 -6.274 450 H LEU 75 HN LEU 75 5.785 4.863 -2.947 451 HA LEU 75 HA LEU 75 4.116 4.867 -0.565 452 1HB LEU 75 2HB LEU 75 4.655 2.631 -2.514 453 2HB LEU 75 1HB LEU 75 3.759 2.461 -1.021 454 HG LEU 75 HG LEU 75 2.575 4.587 -2.496 455 1HD1 LEU 75 1HD1 LEU 75 1.889 2.560 -4.299 456 2HD1 LEU 75 2HD1 LEU 75 3.645 2.518 -4.210 457 3HD1 LEU 75 3HD1 LEU 75 2.819 4.013 -4.638 458 1HD2 LEU 75 1HD2 LEU 75 1.329 3.309 -0.920 459 2HD2 LEU 75 2HD2 LEU 75 1.662 1.804 -1.772 460 3HD2 LEU 75 3HD2 LEU 75 0.615 3.017 -2.505 461 H CYS 76 HN CYS 76 4.828 2.709 0.645 462 HA CYS 76 HA CYS 76 7.305 3.239 1.820 463 1HB CYS 76 2HB CYS 76 5.541 2.003 2.985 464 2HB CYS 76 1HB CYS 76 5.720 0.662 1.861 465 HG CYS 76 HG CYS 76 7.410 -0.231 3.373 466 H ILE 77 HN ILE 77 9.308 2.214 1.706 467 HA ILE 77 HA ILE 77 9.731 0.348 -0.518 468 HB ILE 77 HB ILE 77 11.812 1.559 -1.139 469 1HG1 ILE 77 2HG1 ILE 77 10.763 3.985 0.262 470 2HG1 ILE 77 1HG1 ILE 77 11.710 2.820 1.179 471 1HG2 ILE 77 1HG2 ILE 77 9.072 2.541 -1.550 472 2HG2 ILE 77 2HG2 ILE 77 10.307 2.089 -2.725 473 3HG2 ILE 77 3HG2 ILE 77 10.352 3.682 -1.968 474 1HD1 ILE 77 1HD1 ILE 77 13.590 3.121 -0.267 475 2HD1 ILE 77 2HD1 ILE 77 13.027 4.705 0.264 476 3HD1 ILE 77 3HD1 ILE 77 12.644 4.133 -1.360 477 H SER 78 HN SER 78 11.541 -1.014 -0.299 478 HA SER 78 HA SER 78 13.161 -0.831 2.101 479 1HB SER 78 2HB SER 78 11.045 -2.907 1.696 480 2HB SER 78 1HB SER 78 12.546 -3.371 2.498 481 HG SER 78 HG SER 78 10.663 -2.485 3.790 482 H HIS 79 HN HIS 79 13.829 -0.594 -0.615 483 HA HIS 79 HA HIS 79 15.948 -2.485 -0.785 484 1HB HIS 79 2HB HIS 79 13.991 -3.835 -1.615 485 2HB HIS 79 1HB HIS 79 13.851 -2.697 -2.951 486 HD1 HIS 79 1HD HIS 79 15.373 -5.824 -2.091 487 HD2 HIS 79 2HD HIS 79 16.415 -2.604 -4.502 488 HE1 HIS 79 1HE HIS 79 17.138 -6.698 -3.654 489 HE2 HIS 79 2HE HIS 79 17.819 -4.708 -5.042 490 H SER 80 HN SER 80 13.991 -0.719 -3.191 491 HA SER 80 HA SER 80 16.393 0.453 -4.306 492 1HB SER 80 2HB SER 80 13.652 1.252 -5.197 493 2HB SER 80 1HB SER 80 15.116 1.013 -6.152 494 HG SER 80 HG SER 80 13.141 -0.723 -5.639 Start of MODEL 6 1 H SER 14 HN SER 14 1.676 -15.529 3.089 2 HA SER 14 HA SER 14 -0.674 -15.592 4.747 3 1HB SER 14 2HB SER 14 2.236 -15.116 5.437 4 2HB SER 14 1HB SER 14 0.942 -15.319 6.617 5 HG SER 14 HG SER 14 1.259 -17.374 6.406 6 H GLY 15 HN GLY 15 1.481 -13.154 3.471 7 1HA GLY 15 2HA GLY 15 0.292 -11.085 5.157 8 2HA GLY 15 1HA GLY 15 1.648 -10.877 4.059 9 H GLY 16 HN GLY 16 -1.858 -11.252 4.227 10 1HA GLY 16 2HA GLY 16 -2.356 -10.747 1.482 11 2HA GLY 16 1HA GLY 16 -3.526 -10.604 2.784 12 H CYS 17 HN CYS 17 -2.386 -8.624 4.323 13 HA CYS 17 HA CYS 17 -2.095 -6.335 2.526 14 1HB CYS 17 2HB CYS 17 -3.514 -5.058 4.270 15 2HB CYS 17 1HB CYS 17 -4.346 -6.076 3.104 16 HG CYS 17 HG CYS 17 -5.304 -7.336 4.965 17 H GLU 18 HN GLU 18 -0.642 -4.847 3.179 18 HA GLU 18 HA GLU 18 0.537 -5.178 5.855 19 1HB GLU 18 2HB GLU 18 2.048 -6.177 4.225 20 2HB GLU 18 1HB GLU 18 2.039 -4.700 3.276 21 1HG GLU 18 2HG GLU 18 3.266 -3.528 4.898 22 2HG GLU 18 1HG GLU 18 2.976 -4.762 6.124 23 H LEU 19 HN LEU 19 1.317 -3.300 6.820 24 HA LEU 19 HA LEU 19 -0.061 -0.920 5.986 25 1HB LEU 19 2HB LEU 19 1.981 -0.677 8.093 26 2HB LEU 19 1HB LEU 19 0.363 -0.022 8.019 27 HG LEU 19 HG LEU 19 1.118 -2.839 8.762 28 1HD1 LEU 19 1HD1 LEU 19 0.032 -0.503 10.308 29 2HD1 LEU 19 2HD1 LEU 19 1.540 -1.380 10.578 30 3HD1 LEU 19 3HD1 LEU 19 -0.007 -2.162 10.907 31 1HD2 LEU 19 1HD2 LEU 19 -1.655 -1.706 8.832 32 2HD2 LEU 19 2HD2 LEU 19 -1.143 -3.392 8.914 33 3HD2 LEU 19 3HD2 LEU 19 -1.029 -2.510 7.392 34 H THR 20 HN THR 20 0.671 0.731 4.904 35 HA THR 20 HA THR 20 3.541 1.119 4.543 36 HB THR 20 HB THR 20 2.774 -0.236 2.627 37 HG1 THR 20 1HG THR 20 4.409 1.097 2.089 38 1HG2 THR 20 1HG2 THR 20 1.367 0.918 0.898 39 2HG2 THR 20 2HG2 THR 20 0.890 2.053 2.162 40 3HG2 THR 20 3HG2 THR 20 0.509 0.338 2.326 41 H VAL 21 HN VAL 21 4.118 3.243 3.876 42 HA VAL 21 HA VAL 21 1.996 5.238 4.278 43 HB VAL 21 HB VAL 21 3.929 6.728 5.051 44 1HG1 VAL 21 1HG1 VAL 21 2.629 4.541 6.570 45 2HG1 VAL 21 2HG1 VAL 21 2.480 6.288 6.752 46 3HG1 VAL 21 3HG1 VAL 21 3.907 5.456 7.369 47 1HG2 VAL 21 1HG2 VAL 21 5.819 5.440 4.404 48 2HG2 VAL 21 2HG2 VAL 21 5.241 4.035 5.301 49 3HG2 VAL 21 3HG2 VAL 21 5.782 5.471 6.167 50 H VAL 22 HN VAL 22 1.755 6.684 2.658 51 HA VAL 22 HA VAL 22 3.241 6.335 0.293 52 HB VAL 22 HB VAL 22 2.032 8.605 -0.291 53 1HG1 VAL 22 1HG1 VAL 22 1.250 7.031 -1.641 54 2HG1 VAL 22 2HG1 VAL 22 -0.093 6.913 -0.504 55 3HG1 VAL 22 3HG1 VAL 22 1.275 5.808 -0.371 56 1HG2 VAL 22 1HG2 VAL 22 0.134 7.553 1.767 57 2HG2 VAL 22 2HG2 VAL 22 0.042 9.059 0.854 58 3HG2 VAL 22 3HG2 VAL 22 1.264 8.862 2.110 59 H LEU 23 HN LEU 23 5.018 7.262 -0.394 60 HA LEU 23 HA LEU 23 6.394 9.088 1.302 61 1HB LEU 23 2HB LEU 23 7.361 8.462 -1.448 62 2HB LEU 23 1HB LEU 23 8.282 8.698 0.024 63 HG LEU 23 HG LEU 23 6.703 6.247 -0.753 64 1HD1 LEU 23 1HD1 LEU 23 9.170 6.915 -1.554 65 2HD1 LEU 23 2HD1 LEU 23 8.667 5.253 -1.251 66 3HD1 LEU 23 3HD1 LEU 23 9.559 6.143 -0.018 67 1HD2 LEU 23 1HD2 LEU 23 8.060 6.966 1.835 68 2HD2 LEU 23 2HD2 LEU 23 7.676 5.308 1.374 69 3HD2 LEU 23 3HD2 LEU 23 6.382 6.487 1.583 70 H GLN 24 HN GLN 24 4.390 9.373 -1.498 71 HA GLN 24 HA GLN 24 4.758 12.250 -1.430 72 1HB GLN 24 2HB GLN 24 5.227 12.454 -3.719 73 2HB GLN 24 1HB GLN 24 6.250 11.154 -3.155 74 1HG GLN 24 2HG GLN 24 5.169 9.583 -4.328 75 2HG GLN 24 1HG GLN 24 3.637 10.447 -4.350 76 1HE2 GLN 24 1HE2 GLN 24 6.811 10.197 -5.780 77 2HE2 GLN 24 2HE2 GLN 24 6.443 11.067 -7.226 78 H ASP 25 HN ASP 25 2.926 13.420 -2.218 79 HA ASP 25 HA ASP 25 0.453 12.090 -1.765 80 1HB ASP 25 2HB ASP 25 0.065 14.552 -3.252 81 2HB ASP 25 1HB ASP 25 -0.454 14.131 -1.641 82 H PHE 26 HN PHE 26 -1.164 11.606 -3.178 83 HA PHE 26 HA PHE 26 -0.657 11.735 -6.039 84 1HB PHE 26 2HB PHE 26 0.229 9.543 -5.201 85 2HB PHE 26 1HB PHE 26 -1.405 9.126 -4.734 86 HD1 PHE 26 1HD PHE 26 0.751 9.913 -7.617 87 HD2 PHE 26 2HD PHE 26 -2.988 8.362 -6.302 88 HE1 PHE 26 1HE PHE 26 0.301 9.085 -9.889 89 HE2 PHE 26 2HE PHE 26 -3.443 7.531 -8.571 90 HZ PHE 26 HZ PHE 26 -1.799 7.891 -10.369 91 H SER 27 HN SER 27 -2.527 11.444 -7.309 92 HA SER 27 HA SER 27 -5.037 11.522 -5.821 93 1HB SER 27 2HB SER 27 -5.625 12.943 -8.008 94 2HB SER 27 1HB SER 27 -4.978 13.686 -6.556 95 HG SER 27 HG SER 27 -3.707 14.423 -8.171 96 H ALA 28 HN ALA 28 -6.598 10.240 -6.629 97 HA ALA 28 HA ALA 28 -6.061 8.034 -8.084 98 1HB ALA 28 1HB ALA 28 -8.788 9.214 -8.189 99 2HB ALA 28 2HB ALA 28 -8.101 8.682 -6.661 100 3HB ALA 28 3HB ALA 28 -8.308 7.535 -7.980 101 H ALA 29 HN ALA 29 -7.682 7.471 -10.004 102 HA ALA 29 HA ALA 29 -8.223 9.145 -12.106 103 1HB ALA 29 1HB ALA 29 -6.245 8.618 -13.634 104 2HB ALA 29 2HB ALA 29 -5.368 8.198 -12.162 105 3HB ALA 29 3HB ALA 29 -5.988 9.834 -12.382 106 H HIS 30 HN HIS 30 -7.050 6.020 -11.039 107 HA HIS 30 HA HIS 30 -8.391 4.746 -13.308 108 1HB HIS 30 2HB HIS 30 -5.897 4.267 -12.267 109 2HB HIS 30 1HB HIS 30 -6.860 2.992 -11.530 110 HD1 HIS 30 1HD HIS 30 -6.817 0.927 -12.868 111 HD2 HIS 30 2HD HIS 30 -6.558 4.310 -15.266 112 HE1 HIS 30 1HE HIS 30 -6.646 0.068 -15.224 113 HE2 HIS 30 2HE HIS 30 -6.585 2.134 -16.665 114 H SER 31 HN SER 31 -9.143 2.435 -12.615 115 HA SER 31 HA SER 31 -11.559 2.561 -11.434 116 1HB SER 31 2HB SER 31 -10.930 0.586 -12.613 117 2HB SER 31 1HB SER 31 -9.633 0.239 -11.470 118 HG SER 31 HG SER 31 -11.928 -0.796 -11.340 119 H SER 32 HN SER 32 -9.032 0.851 -9.617 120 HA SER 32 HA SER 32 -10.345 1.671 -7.156 121 1HB SER 32 2HB SER 32 -8.003 -0.214 -7.463 122 2HB SER 32 1HB SER 32 -9.080 -0.058 -6.075 123 HG SER 32 HG SER 32 -10.212 -1.548 -7.017 124 H GLU 33 HN GLU 33 -9.086 3.833 -8.379 125 HA GLU 33 HA GLU 33 -6.591 4.197 -6.912 126 1HB GLU 33 2HB GLU 33 -7.815 5.382 -9.338 127 2HB GLU 33 1HB GLU 33 -6.768 6.402 -8.380 128 1HG GLU 33 2HG GLU 33 -5.270 4.218 -8.505 129 2HG GLU 33 1HG GLU 33 -6.145 4.084 -10.023 130 H LEU 34 HN LEU 34 -6.251 6.125 -5.671 131 HA LEU 34 HA LEU 34 -8.541 7.768 -5.049 132 1HB LEU 34 2HB LEU 34 -7.893 7.317 -2.531 133 2HB LEU 34 1HB LEU 34 -9.107 6.380 -3.375 134 HG LEU 34 HG LEU 34 -7.193 4.718 -3.877 135 1HD1 LEU 34 1HD1 LEU 34 -5.993 6.434 -1.724 136 2HD1 LEU 34 2HD1 LEU 34 -5.288 5.950 -3.267 137 3HD1 LEU 34 3HD1 LEU 34 -5.511 4.757 -1.986 138 1HD2 LEU 34 1HD2 LEU 34 -7.477 3.741 -1.563 139 2HD2 LEU 34 2HD2 LEU 34 -8.970 4.114 -2.424 140 3HD2 LEU 34 3HD2 LEU 34 -8.391 5.191 -1.152 141 H SER 35 HN SER 35 -7.899 9.537 -3.526 142 HA SER 35 HA SER 35 -5.282 10.471 -4.244 143 1HB SER 35 2HB SER 35 -6.214 12.536 -2.920 144 2HB SER 35 1HB SER 35 -6.751 12.217 -4.567 145 HG SER 35 HG SER 35 -8.226 12.384 -2.377 146 H ILE 36 HN ILE 36 -3.647 10.400 -3.005 147 HA ILE 36 HA ILE 36 -3.987 10.078 -0.107 148 HB ILE 36 HB ILE 36 -1.673 8.872 -0.342 149 1HG1 ILE 36 2HG1 ILE 36 -1.652 9.361 -2.845 150 2HG1 ILE 36 1HG1 ILE 36 -1.258 7.722 -2.370 151 1HG2 ILE 36 1HG2 ILE 36 -4.380 7.987 -0.219 152 2HG2 ILE 36 2HG2 ILE 36 -2.935 7.254 0.478 153 3HG2 ILE 36 3HG2 ILE 36 -3.438 6.826 -1.155 154 1HD1 ILE 36 1HD1 ILE 36 -4.041 7.823 -2.820 155 2HD1 ILE 36 2HD1 ILE 36 -2.807 6.974 -3.749 156 3HD1 ILE 36 3HD1 ILE 36 -3.246 8.628 -4.170 157 H GLN 37 HN GLN 37 -2.041 10.741 1.107 158 HA GLN 37 HA GLN 37 -0.554 12.886 -0.176 159 1HB GLN 37 2HB GLN 37 -2.319 12.962 2.185 160 2HB GLN 37 1HB GLN 37 -0.814 13.844 2.310 161 1HG GLN 37 2HG GLN 37 -1.575 15.494 1.039 162 2HG GLN 37 1HG GLN 37 -2.106 14.367 -0.207 163 1HE2 GLN 37 1HE2 GLN 37 -3.399 16.782 0.736 164 2HE2 GLN 37 2HE2 GLN 37 -4.957 16.312 1.315 165 H VAL 38 HN VAL 38 1.484 13.272 0.572 166 HA VAL 38 HA VAL 38 2.988 11.079 1.459 167 HB VAL 38 HB VAL 38 3.967 12.914 0.188 168 1HG1 VAL 38 1HG1 VAL 38 2.565 14.597 1.724 169 2HG1 VAL 38 2HG1 VAL 38 3.969 15.089 0.778 170 3HG1 VAL 38 3HG1 VAL 38 4.144 14.737 2.497 171 1HG2 VAL 38 1HG2 VAL 38 6.059 13.028 1.265 172 2HG2 VAL 38 2HG2 VAL 38 5.347 11.507 1.801 173 3HG2 VAL 38 3HG2 VAL 38 5.331 12.912 2.866 174 H GLY 39 HN GLY 39 3.117 10.212 3.463 175 1HA GLY 39 2HA GLY 39 3.923 10.673 5.737 176 2HA GLY 39 1HA GLY 39 2.836 12.044 5.767 177 H GLN 40 HN GLN 40 0.754 10.242 4.427 178 HA GLN 40 HA GLN 40 -0.381 9.360 6.877 179 1HB GLN 40 2HB GLN 40 -2.338 8.962 5.652 180 2HB GLN 40 1HB GLN 40 -1.654 10.446 5.061 181 1HG GLN 40 2HG GLN 40 -0.685 9.197 3.201 182 2HG GLN 40 1HG GLN 40 -1.509 7.759 3.778 183 1HE2 GLN 40 1HE2 GLN 40 -3.282 7.326 2.701 184 2HE2 GLN 40 2HE2 GLN 40 -4.357 8.478 1.998 185 H THR 41 HN THR 41 -1.483 7.218 6.984 186 HA THR 41 HA THR 41 0.270 5.134 5.868 187 HB THR 41 HB THR 41 -0.934 5.253 8.630 188 HG1 THR 41 1HG THR 41 1.163 6.160 8.266 189 1HG2 THR 41 1HG2 THR 41 -1.370 3.011 8.138 190 2HG2 THR 41 2HG2 THR 41 0.230 2.948 8.877 191 3HG2 THR 41 3HG2 THR 41 0.063 2.852 7.124 192 H VAL 42 HN VAL 42 -0.638 3.703 4.689 193 HA VAL 42 HA VAL 42 -3.294 2.786 5.286 194 HB VAL 42 HB VAL 42 -2.801 4.511 2.996 195 1HG1 VAL 42 1HG1 VAL 42 -4.224 3.043 1.456 196 2HG1 VAL 42 2HG1 VAL 42 -3.681 1.724 2.482 197 3HG1 VAL 42 3HG1 VAL 42 -2.510 2.674 1.617 198 1HG2 VAL 42 1HG2 VAL 42 -5.132 3.360 4.460 199 2HG2 VAL 42 2HG2 VAL 42 -5.399 4.066 2.866 200 3HG2 VAL 42 3HG2 VAL 42 -4.713 5.047 4.160 201 H GLU 43 HN GLU 43 -3.596 0.723 4.763 202 HA GLU 43 HA GLU 43 -1.245 -0.831 4.487 203 1HB GLU 43 2HB GLU 43 -2.724 -2.744 4.808 204 2HB GLU 43 1HB GLU 43 -3.072 -1.482 5.983 205 1HG GLU 43 2HG GLU 43 -4.935 -0.723 4.501 206 2HG GLU 43 1HG GLU 43 -4.638 -2.140 3.499 207 H LEU 44 HN LEU 44 -0.374 -1.676 2.675 208 HA LEU 44 HA LEU 44 -1.602 -1.243 0.167 209 1HB LEU 44 2HB LEU 44 0.267 -2.608 -0.724 210 2HB LEU 44 1HB LEU 44 0.726 -1.182 0.145 211 HG LEU 44 HG LEU 44 1.056 -2.824 2.150 212 1HD1 LEU 44 1HD1 LEU 44 0.763 -4.988 1.775 213 2HD1 LEU 44 2HD1 LEU 44 1.923 -4.944 0.450 214 3HD1 LEU 44 3HD1 LEU 44 0.218 -4.625 0.140 215 1HD2 LEU 44 1HD2 LEU 44 3.005 -3.047 -0.121 216 2HD2 LEU 44 2HD2 LEU 44 3.334 -3.029 1.612 217 3HD2 LEU 44 3HD2 LEU 44 2.794 -1.558 0.801 218 H LEU 45 HN LEU 45 -2.324 -2.659 -1.294 219 HA LEU 45 HA LEU 45 -3.878 -4.813 -0.248 220 1HB LEU 45 2HB LEU 45 -3.432 -4.292 -3.169 221 2HB LEU 45 1HB LEU 45 -4.825 -5.013 -2.396 222 HG LEU 45 HG LEU 45 -4.102 -2.124 -1.938 223 1HD1 LEU 45 1HD1 LEU 45 -4.376 -2.074 -4.244 224 2HD1 LEU 45 2HD1 LEU 45 -6.013 -1.787 -3.663 225 3HD1 LEU 45 3HD1 LEU 45 -5.548 -3.388 -4.235 226 1HD2 LEU 45 1HD2 LEU 45 -6.472 -1.949 -1.413 227 2HD2 LEU 45 2HD2 LEU 45 -5.669 -3.130 -0.381 228 3HD2 LEU 45 3HD2 LEU 45 -6.676 -3.670 -1.725 229 H GLU 46 HN GLU 46 -1.287 -4.747 -2.748 230 HA GLU 46 HA GLU 46 -0.644 -7.467 -1.925 231 1HB GLU 46 2HB GLU 46 -0.445 -8.160 -4.156 232 2HB GLU 46 1HB GLU 46 -1.942 -7.261 -4.097 233 1HG GLU 46 2HG GLU 46 -0.546 -5.280 -4.932 234 2HG GLU 46 1HG GLU 46 0.674 -6.486 -5.328 235 H ARG 47 HN ARG 47 1.508 -7.607 -3.896 236 HA ARG 47 HA ARG 47 3.419 -5.690 -2.752 237 1HB ARG 47 2HB ARG 47 3.587 -8.664 -2.993 238 2HB ARG 47 1HB ARG 47 5.059 -7.707 -3.078 239 1HG ARG 47 2HG ARG 47 4.746 -6.863 -0.885 240 2HG ARG 47 1HG ARG 47 3.100 -7.498 -0.807 241 1HD ARG 47 2HD ARG 47 4.512 -8.937 0.478 242 2HD ARG 47 1HD ARG 47 4.052 -9.794 -0.992 243 HE ARG 47 HE ARG 47 6.517 -8.445 -1.349 244 1HH1 ARG 47 1HH1 ARG 47 5.134 -11.264 0.193 245 2HH1 ARG 47 2HH1 ARG 47 6.610 -12.166 0.137 246 1HH2 ARG 47 1HH2 ARG 47 8.452 -9.637 -1.419 247 2HH2 ARG 47 2HH2 ARG 47 8.491 -11.245 -0.775 248 HA PRO 48 HA PRO 48 4.909 -5.190 -6.894 249 1HB PRO 48 2HB PRO 48 7.643 -4.807 -6.269 250 2HB PRO 48 1HB PRO 48 6.387 -3.575 -6.372 251 1HG PRO 48 2HG PRO 48 7.731 -4.354 -4.050 252 2HG PRO 48 1HG PRO 48 6.233 -3.411 -4.119 253 1HD PRO 48 2HD PRO 48 6.622 -6.323 -3.601 254 2HD PRO 48 1HD PRO 48 5.415 -5.204 -2.930 255 H SER 49 HN SER 49 5.128 -8.069 -5.801 256 HA SER 49 HA SER 49 7.486 -9.186 -6.865 257 1HB SER 49 2HB SER 49 5.573 -10.140 -5.248 258 2HB SER 49 1HB SER 49 5.052 -10.858 -6.772 259 HG SER 49 HG SER 49 6.669 -12.192 -6.667 260 H GLU 50 HN GLU 50 4.228 -8.902 -8.081 261 HA GLU 50 HA GLU 50 4.797 -10.056 -10.616 262 1HB GLU 50 2HB GLU 50 2.528 -9.570 -11.111 263 2HB GLU 50 1HB GLU 50 2.590 -10.093 -9.445 264 1HG GLU 50 2HG GLU 50 2.528 -7.760 -8.728 265 2HG GLU 50 1HG GLU 50 2.386 -7.267 -10.414 266 H ARG 51 HN ARG 51 4.485 -6.869 -9.271 267 HA ARG 51 HA ARG 51 5.522 -5.716 -11.777 268 1HB ARG 51 2HB ARG 51 3.196 -4.984 -10.181 269 2HB ARG 51 1HB ARG 51 4.285 -3.626 -10.418 270 1HG ARG 51 2HG ARG 51 2.608 -3.655 -12.139 271 2HG ARG 51 1HG ARG 51 4.196 -3.984 -12.836 272 1HD ARG 51 2HD ARG 51 3.478 -6.486 -12.425 273 2HD ARG 51 1HD ARG 51 1.857 -5.794 -12.481 274 HE ARG 51 HE ARG 51 3.403 -4.911 -14.685 275 1HH1 ARG 51 1HH1 ARG 51 1.673 -7.709 -13.494 276 2HH1 ARG 51 2HH1 ARG 51 1.352 -8.332 -15.076 277 1HH2 ARG 51 1HH2 ARG 51 2.977 -5.739 -16.760 278 2HH2 ARG 51 2HH2 ARG 51 2.091 -7.217 -16.927 279 HA PRO 52 HA PRO 52 8.636 -4.421 -8.807 280 1HB PRO 52 2HB PRO 52 10.639 -3.994 -10.518 281 2HB PRO 52 1HB PRO 52 10.061 -5.631 -10.187 282 1HG PRO 52 2HG PRO 52 9.621 -3.915 -12.571 283 2HG PRO 52 1HG PRO 52 9.734 -5.679 -12.458 284 1HD PRO 52 2HD PRO 52 7.367 -4.111 -12.584 285 2HD PRO 52 1HD PRO 52 7.481 -5.857 -12.289 286 H GLY 53 HN GLY 53 8.295 -2.499 -7.906 287 1HA GLY 53 2HA GLY 53 9.147 -0.223 -7.886 288 2HA GLY 53 1HA GLY 53 8.726 -0.115 -9.582 289 H TRP 54 HN TRP 54 6.239 -1.710 -8.275 290 HA TRP 54 HA TRP 54 4.740 0.711 -7.800 291 1HB TRP 54 2HB TRP 54 2.994 -0.151 -8.966 292 2HB TRP 54 1HB TRP 54 4.323 -0.907 -9.798 293 HD1 TRP 54 1HD TRP 54 4.809 -3.291 -7.682 294 HE1 TRP 54 1HE TRP 54 3.084 -5.220 -7.577 295 HE3 TRP 54 3HE TRP 54 0.867 -0.892 -9.759 296 HZ2 TRP 54 2HZ TRP 54 0.373 -5.634 -8.304 297 HZ3 TRP 54 3HZ TRP 54 -1.277 -2.095 -10.034 298 HH2 TRP 54 2HH TRP 54 -1.513 -4.420 -9.313 299 H CYS 55 HN CYS 55 2.789 0.549 -6.453 300 HA CYS 55 HA CYS 55 2.579 -1.593 -4.567 301 1HB CYS 55 2HB CYS 55 4.308 0.418 -3.808 302 2HB CYS 55 1HB CYS 55 2.832 0.813 -2.965 303 HG CYS 55 HG CYS 55 4.639 -1.591 -2.403 304 H LEU 56 HN LEU 56 0.758 -1.435 -3.223 305 HA LEU 56 HA LEU 56 -1.311 0.350 -4.298 306 1HB LEU 56 2HB LEU 56 -1.314 -2.452 -3.285 307 2HB LEU 56 1HB LEU 56 -2.781 -1.516 -3.274 308 HG LEU 56 HG LEU 56 -2.922 -1.447 -5.600 309 1HD1 LEU 56 1HD1 LEU 56 -1.027 -2.189 -7.079 310 2HD1 LEU 56 2HD1 LEU 56 0.005 -2.176 -5.648 311 3HD1 LEU 56 3HD1 LEU 56 -0.744 -0.681 -6.210 312 1HD2 LEU 56 1HD2 LEU 56 -1.994 -4.024 -4.496 313 2HD2 LEU 56 2HD2 LEU 56 -2.126 -3.895 -6.250 314 3HD2 LEU 56 3HD2 LEU 56 -3.536 -3.594 -5.234 315 H VAL 57 HN VAL 57 -3.056 1.009 -2.807 316 HA VAL 57 HA VAL 57 -2.254 1.022 0.021 317 HB VAL 57 HB VAL 57 -3.128 3.518 -0.074 318 1HG1 VAL 57 1HG1 VAL 57 -0.539 3.936 -0.917 319 2HG1 VAL 57 2HG1 VAL 57 -0.510 2.290 -0.289 320 3HG1 VAL 57 3HG1 VAL 57 -1.053 3.616 0.737 321 1HG2 VAL 57 1HG2 VAL 57 -3.386 3.065 -2.687 322 2HG2 VAL 57 2HG2 VAL 57 -1.730 3.672 -2.651 323 3HG2 VAL 57 3HG2 VAL 57 -3.043 4.654 -2.003 324 H ARG 58 HN ARG 58 -3.940 0.393 1.286 325 HA ARG 58 HA ARG 58 -6.666 0.867 0.312 326 1HB ARG 58 2HB ARG 58 -6.517 -1.438 0.490 327 2HB ARG 58 1HB ARG 58 -5.481 -1.375 1.891 328 1HG ARG 58 2HG ARG 58 -7.214 -1.618 3.265 329 2HG ARG 58 1HG ARG 58 -8.072 -0.274 2.523 330 1HD ARG 58 2HD ARG 58 -7.975 -2.911 1.139 331 2HD ARG 58 1HD ARG 58 -9.113 -2.634 2.461 332 HE ARG 58 HE ARG 58 -9.066 -0.615 0.371 333 1HH1 ARG 58 1HH1 ARG 58 -10.565 -3.573 1.569 334 2HH1 ARG 58 2HH1 ARG 58 -12.070 -3.287 0.770 335 1HH2 ARG 58 1HH2 ARG 58 -11.110 -0.277 -0.680 336 2HH2 ARG 58 2HH2 ARG 58 -12.375 -1.439 -0.497 337 H THR 59 HN THR 59 -8.223 1.827 1.699 338 HA THR 59 HA THR 59 -7.074 3.041 4.109 339 HB THR 59 HB THR 59 -8.813 4.640 4.012 340 HG1 THR 59 1HG THR 59 -10.665 4.216 3.167 341 1HG2 THR 59 1HG2 THR 59 -7.747 4.110 1.267 342 2HG2 THR 59 2HG2 THR 59 -7.154 5.263 2.463 343 3HG2 THR 59 3HG2 THR 59 -8.709 5.530 1.675 344 H THR 60 HN THR 60 -7.781 2.519 6.066 345 HA THR 60 HA THR 60 -10.085 0.690 6.249 346 HB THR 60 HB THR 60 -8.977 -0.316 8.227 347 HG1 THR 60 1HG THR 60 -7.490 0.907 9.062 348 1HG2 THR 60 1HG2 THR 60 -8.064 -1.822 6.900 349 2HG2 THR 60 2HG2 THR 60 -6.746 -0.721 6.495 350 3HG2 THR 60 3HG2 THR 60 -8.235 -0.698 5.551 351 H GLU 61 HN GLU 61 -8.688 3.650 7.352 352 HA GLU 61 HA GLU 61 -10.457 3.799 9.659 353 1HB GLU 61 2HB GLU 61 -9.328 5.956 10.101 354 2HB GLU 61 1HB GLU 61 -8.201 4.612 9.989 355 1HG GLU 61 2HG GLU 61 -7.166 5.462 8.198 356 2HG GLU 61 1HG GLU 61 -8.672 6.003 7.459 357 H ARG 62 HN ARG 62 -11.350 3.846 6.775 358 HA ARG 62 HA ARG 62 -13.146 6.095 7.001 359 1HB ARG 62 2HB ARG 62 -11.644 7.103 5.541 360 2HB ARG 62 1HB ARG 62 -11.134 5.579 4.842 361 1HG ARG 62 2HG ARG 62 -12.859 5.523 3.344 362 2HG ARG 62 1HG ARG 62 -13.900 6.545 4.336 363 1HD ARG 62 2HD ARG 62 -11.492 7.944 3.541 364 2HD ARG 62 1HD ARG 62 -12.371 7.331 2.140 365 HE ARG 62 HE ARG 62 -14.129 8.621 3.953 366 1HH1 ARG 62 1HH1 ARG 62 -11.703 9.293 1.522 367 2HH1 ARG 62 2HH1 ARG 62 -12.366 10.840 1.119 368 1HH2 ARG 62 1HH2 ARG 62 -14.992 10.655 3.416 369 2HH2 ARG 62 2HH2 ARG 62 -14.229 11.612 2.191 370 H SER 63 HN SER 63 -14.842 4.734 7.402 371 HA SER 63 HA SER 63 -15.228 2.328 5.878 372 1HB SER 63 2HB SER 63 -17.128 1.925 7.294 373 2HB SER 63 1HB SER 63 -15.827 2.554 8.306 374 HG SER 63 HG SER 63 -16.840 4.617 8.148 375 HA PRO 64 HA PRO 64 -16.232 1.064 4.642 376 1HB PRO 64 2HB PRO 64 -16.477 0.495 2.035 377 2HB PRO 64 1HB PRO 64 -17.883 0.533 3.108 378 1HG PRO 64 2HG PRO 64 -16.914 2.608 1.183 379 2HG PRO 64 1HG PRO 64 -18.568 2.052 1.490 380 1HD PRO 64 2HD PRO 64 -17.503 4.345 2.551 381 2HD PRO 64 1HD PRO 64 -18.823 3.426 3.302 382 HA PRO 65 HA PRO 65 -11.892 1.615 3.748 383 1HB PRO 65 2HB PRO 65 -12.177 -0.960 2.261 384 2HB PRO 65 1HB PRO 65 -10.965 -0.482 3.451 385 1HG PRO 65 2HG PRO 65 -12.961 -2.110 4.129 386 2HG PRO 65 1HG PRO 65 -12.379 -0.865 5.248 387 1HD PRO 65 2HD PRO 65 -14.885 -0.957 3.655 388 2HD PRO 65 1HD PRO 65 -14.565 -0.179 5.218 389 H GLN 66 HN GLN 66 -10.398 1.754 1.906 390 HA GLN 66 HA GLN 66 -11.675 1.989 -0.673 391 1HB GLN 66 2HB GLN 66 -11.130 4.192 0.877 392 2HB GLN 66 1HB GLN 66 -9.696 4.079 -0.133 393 1HG GLN 66 2HG GLN 66 -10.918 4.330 -2.084 394 2HG GLN 66 1HG GLN 66 -12.437 3.928 -1.288 395 1HE2 GLN 66 1HE2 GLN 66 -9.933 6.382 -1.561 396 2HE2 GLN 66 2HE2 GLN 66 -10.925 7.714 -1.091 397 H GLU 67 HN GLU 67 -9.902 2.204 -2.418 398 HA GLU 67 HA GLU 67 -7.427 0.969 -1.520 399 1HB GLU 67 2HB GLU 67 -8.334 -0.167 -4.051 400 2HB GLU 67 1HB GLU 67 -7.579 -0.942 -2.686 401 1HG GLU 67 2HG GLU 67 -9.591 -1.421 -1.679 402 2HG GLU 67 1HG GLU 67 -10.456 -0.158 -2.552 403 H GLY 68 HN GLY 68 -5.679 1.290 -2.859 404 1HA GLY 68 2HA GLY 68 -6.085 3.184 -5.093 405 2HA GLY 68 1HA GLY 68 -4.998 3.609 -3.792 406 H LEU 69 HN LEU 69 -4.058 3.656 -6.278 407 HA LEU 69 HA LEU 69 -2.085 1.525 -6.214 408 1HB LEU 69 2HB LEU 69 -4.041 1.967 -8.396 409 2HB LEU 69 1HB LEU 69 -2.383 1.627 -8.867 410 HG LEU 69 HG LEU 69 -2.620 -0.360 -7.190 411 1HD1 LEU 69 1HD1 LEU 69 -4.648 -0.916 -6.451 412 2HD1 LEU 69 2HD1 LEU 69 -5.382 -0.670 -8.035 413 3HD1 LEU 69 3HD1 LEU 69 -5.160 0.697 -6.944 414 1HD2 LEU 69 1HD2 LEU 69 -2.972 -1.770 -8.995 415 2HD2 LEU 69 2HD2 LEU 69 -2.373 -0.295 -9.755 416 3HD2 LEU 69 3HD2 LEU 69 -4.098 -0.657 -9.772 417 H VAL 70 HN VAL 70 -0.131 2.244 -6.526 418 HA VAL 70 HA VAL 70 0.500 4.427 -8.273 419 HB VAL 70 HB VAL 70 1.808 5.417 -6.068 420 1HG1 VAL 70 1HG1 VAL 70 -0.890 6.449 -6.857 421 2HG1 VAL 70 2HG1 VAL 70 0.495 6.545 -7.945 422 3HG1 VAL 70 3HG1 VAL 70 0.547 7.352 -6.377 423 1HG2 VAL 70 1HG2 VAL 70 0.055 3.856 -4.794 424 2HG2 VAL 70 2HG2 VAL 70 -0.951 5.287 -5.002 425 3HG2 VAL 70 3HG2 VAL 70 0.588 5.410 -4.153 426 HA PRO 71 HA PRO 71 4.285 2.267 -7.959 427 1HB PRO 71 2HB PRO 71 6.217 4.054 -8.490 428 2HB PRO 71 1HB PRO 71 5.061 3.483 -9.699 429 1HG PRO 71 2HG PRO 71 5.222 6.104 -8.368 430 2HG PRO 71 1HG PRO 71 4.398 5.658 -9.870 431 1HD PRO 71 2HD PRO 71 3.267 5.996 -7.241 432 2HD PRO 71 1HD PRO 71 2.431 5.616 -8.749 433 H SER 72 HN SER 72 6.123 1.750 -6.778 434 HA SER 72 HA SER 72 6.083 2.002 -4.087 435 1HB SER 72 2HB SER 72 7.469 0.319 -4.929 436 2HB SER 72 1HB SER 72 8.315 1.423 -6.010 437 HG SER 72 HG SER 72 9.609 2.006 -4.430 438 H SER 73 HN SER 73 7.420 4.281 -6.370 439 HA SER 73 HA SER 73 9.114 5.733 -4.688 440 1HB SER 73 2HB SER 73 9.122 6.122 -7.078 441 2HB SER 73 1HB SER 73 7.445 6.665 -7.034 442 HG SER 73 HG SER 73 8.896 8.424 -7.071 443 H THR 74 HN THR 74 5.630 5.739 -5.024 444 HA THR 74 HA THR 74 5.402 7.947 -3.105 445 HB THR 74 HB THR 74 3.423 8.479 -4.083 446 HG1 THR 74 1HG THR 74 1.911 7.071 -4.265 447 1HG2 THR 74 1HG2 THR 74 4.980 8.568 -5.911 448 2HG2 THR 74 2HG2 THR 74 3.390 8.076 -6.482 449 3HG2 THR 74 3HG2 THR 74 4.666 6.881 -6.275 450 H LEU 75 HN LEU 75 5.723 4.742 -2.890 451 HA LEU 75 HA LEU 75 3.925 4.548 -0.609 452 1HB LEU 75 2HB LEU 75 4.320 2.423 -2.693 453 2HB LEU 75 1HB LEU 75 3.360 2.272 -1.249 454 HG LEU 75 HG LEU 75 2.343 4.526 -2.568 455 1HD1 LEU 75 1HD1 LEU 75 3.487 2.677 -4.470 456 2HD1 LEU 75 2HD1 LEU 75 2.758 4.260 -4.732 457 3HD1 LEU 75 3HD1 LEU 75 1.744 2.821 -4.684 458 1HD2 LEU 75 1HD2 LEU 75 0.322 3.338 -2.586 459 2HD2 LEU 75 2HD2 LEU 75 1.207 2.686 -1.208 460 3HD2 LEU 75 3HD2 LEU 75 1.132 1.780 -2.717 461 H CYS 76 HN CYS 76 4.894 3.782 1.111 462 HA CYS 76 HA CYS 76 7.645 3.280 1.252 463 1HB CYS 76 2HB CYS 76 6.001 3.921 3.142 464 2HB CYS 76 1HB CYS 76 5.705 2.192 3.278 465 HG CYS 76 HG CYS 76 8.137 1.858 4.044 466 H ILE 77 HN ILE 77 8.741 1.599 0.516 467 HA ILE 77 HA ILE 77 7.411 -1.024 0.443 468 HB ILE 77 HB ILE 77 8.702 -1.606 -1.491 469 1HG1 ILE 77 2HG1 ILE 77 10.094 0.378 -2.531 470 2HG1 ILE 77 1HG1 ILE 77 10.185 0.927 -0.861 471 1HG2 ILE 77 1HG2 ILE 77 7.828 1.182 -2.116 472 2HG2 ILE 77 2HG2 ILE 77 6.645 -0.014 -1.589 473 3HG2 ILE 77 3HG2 ILE 77 7.599 -0.298 -3.045 474 1HD1 ILE 77 1HD1 ILE 77 11.909 -0.421 -0.572 475 2HD1 ILE 77 2HD1 ILE 77 11.707 -1.087 -2.193 476 3HD1 ILE 77 3HD1 ILE 77 10.841 -1.800 -0.831 477 H SER 78 HN SER 78 10.397 0.669 1.108 478 HA SER 78 HA SER 78 11.979 -1.559 1.780 479 1HB SER 78 2HB SER 78 12.699 0.888 1.365 480 2HB SER 78 1HB SER 78 12.309 1.144 3.066 481 HG SER 78 HG SER 78 14.542 0.560 2.601 482 H HIS 79 HN HIS 79 9.692 0.357 3.622 483 HA HIS 79 HA HIS 79 8.761 0.084 5.679 484 1HB HIS 79 2HB HIS 79 8.725 -2.370 4.570 485 2HB HIS 79 1HB HIS 79 9.734 -2.703 5.974 486 HD1 HIS 79 1HD HIS 79 8.610 -2.654 8.279 487 HD2 HIS 79 2HD HIS 79 6.044 -1.719 5.148 488 HE1 HIS 79 1HE HIS 79 6.298 -2.711 9.266 489 HE2 HIS 79 2HE HIS 79 4.757 -2.227 7.332 490 H SER 80 HN SER 80 10.250 1.517 6.655 491 HA SER 80 HA SER 80 12.615 0.392 7.923 492 1HB SER 80 2HB SER 80 13.075 2.734 8.597 493 2HB SER 80 1HB SER 80 12.836 2.574 6.857 494 HG SER 80 HG SER 80 10.983 3.638 6.993 Start of MODEL 7 1 H SER 14 HN SER 14 -7.859 -16.746 5.532 2 HA SER 14 HA SER 14 -5.359 -16.261 4.166 3 1HB SER 14 2HB SER 14 -7.252 -17.488 3.093 4 2HB SER 14 1HB SER 14 -8.182 -15.990 3.107 5 HG SER 14 HG SER 14 -6.892 -16.590 1.136 6 H GLY 15 HN GLY 15 -4.760 -14.326 3.138 7 1HA GLY 15 2HA GLY 15 -5.914 -11.969 2.768 8 2HA GLY 15 1HA GLY 15 -5.736 -11.945 4.516 9 H GLY 16 HN GLY 16 -4.497 -10.375 2.227 10 1HA GLY 16 2HA GLY 16 -1.747 -10.577 3.245 11 2HA GLY 16 1HA GLY 16 -2.013 -10.605 1.509 12 H CYS 17 HN CYS 17 -2.176 -8.653 4.406 13 HA CYS 17 HA CYS 17 -2.058 -6.259 2.731 14 1HB CYS 17 2HB CYS 17 -3.411 -5.136 4.643 15 2HB CYS 17 1HB CYS 17 -4.268 -6.066 3.423 16 HG CYS 17 HG CYS 17 -3.834 -6.979 6.358 17 H GLU 18 HN GLU 18 -0.541 -4.846 3.319 18 HA GLU 18 HA GLU 18 0.718 -5.177 5.957 19 1HB GLU 18 2HB GLU 18 2.178 -6.193 4.295 20 2HB GLU 18 1HB GLU 18 2.137 -4.730 3.325 21 1HG GLU 18 2HG GLU 18 4.195 -4.706 4.452 22 2HG GLU 18 1HG GLU 18 3.172 -3.546 5.298 23 H LEU 19 HN LEU 19 1.529 -3.290 6.887 24 HA LEU 19 HA LEU 19 0.138 -0.913 6.062 25 1HB LEU 19 2HB LEU 19 2.223 -0.633 8.116 26 2HB LEU 19 1HB LEU 19 0.592 -0.008 8.079 27 HG LEU 19 HG LEU 19 1.459 -2.773 8.885 28 1HD1 LEU 19 1HD1 LEU 19 0.909 -2.193 11.029 29 2HD1 LEU 19 2HD1 LEU 19 -0.227 -0.945 10.516 30 3HD1 LEU 19 3HD1 LEU 19 1.510 -0.650 10.421 31 1HD2 LEU 19 1HD2 LEU 19 -0.505 -3.284 7.794 32 2HD2 LEU 19 2HD2 LEU 19 -1.225 -1.711 8.132 33 3HD2 LEU 19 3HD2 LEU 19 -1.094 -2.915 9.415 34 H THR 20 HN THR 20 0.852 0.715 4.928 35 HA THR 20 HA THR 20 3.719 1.072 4.497 36 HB THR 20 HB THR 20 3.016 -0.268 2.605 37 HG1 THR 20 1HG THR 20 3.871 1.006 1.114 38 1HG2 THR 20 1HG2 THR 20 0.887 1.809 2.187 39 2HG2 THR 20 2HG2 THR 20 0.666 0.087 2.491 40 3HG2 THR 20 3HG2 THR 20 1.375 0.631 0.971 41 H VAL 21 HN VAL 21 4.341 3.167 3.990 42 HA VAL 21 HA VAL 21 2.254 5.205 4.362 43 HB VAL 21 HB VAL 21 4.275 6.681 4.957 44 1HG1 VAL 21 1HG1 VAL 21 4.292 5.822 7.315 45 2HG1 VAL 21 2HG1 VAL 21 3.313 4.468 6.750 46 3HG1 VAL 21 3HG1 VAL 21 2.692 6.115 6.633 47 1HG2 VAL 21 1HG2 VAL 21 5.640 4.196 5.839 48 2HG2 VAL 21 2HG2 VAL 21 6.312 5.778 5.447 49 3HG2 VAL 21 3HG2 VAL 21 5.812 4.688 4.155 50 H VAL 22 HN VAL 22 2.137 6.893 2.882 51 HA VAL 22 HA VAL 22 3.493 6.379 0.403 52 HB VAL 22 HB VAL 22 2.111 8.549 -0.234 53 1HG1 VAL 22 1HG1 VAL 22 1.630 6.760 -1.515 54 2HG1 VAL 22 2HG1 VAL 22 0.148 6.802 -0.559 55 3HG1 VAL 22 3HG1 VAL 22 1.445 5.686 -0.130 56 1HG2 VAL 22 1HG2 VAL 22 1.321 8.714 2.199 57 2HG2 VAL 22 2HG2 VAL 22 0.261 7.366 1.788 58 3HG2 VAL 22 3HG2 VAL 22 0.124 8.892 0.916 59 H LEU 23 HN LEU 23 5.224 7.356 -0.291 60 HA LEU 23 HA LEU 23 6.503 9.333 1.280 61 1HB LEU 23 2HB LEU 23 7.455 8.770 -1.478 62 2HB LEU 23 1HB LEU 23 8.378 9.014 -0.009 63 HG LEU 23 HG LEU 23 6.921 6.510 -0.844 64 1HD1 LEU 23 1HD1 LEU 23 9.291 7.262 -1.707 65 2HD1 LEU 23 2HD1 LEU 23 8.962 5.586 -1.271 66 3HD1 LEU 23 3HD1 LEU 23 9.804 6.642 -0.137 67 1HD2 LEU 23 1HD2 LEU 23 8.538 6.837 1.666 68 2HD2 LEU 23 2HD2 LEU 23 7.459 5.517 1.213 69 3HD2 LEU 23 3HD2 LEU 23 6.793 7.094 1.640 70 H GLN 24 HN GLN 24 4.453 9.453 -1.535 71 HA GLN 24 HA GLN 24 4.670 12.352 -1.470 72 1HB GLN 24 2HB GLN 24 5.109 12.590 -3.751 73 2HB GLN 24 1HB GLN 24 6.169 11.298 -3.233 74 1HG GLN 24 2HG GLN 24 5.134 9.746 -4.451 75 2HG GLN 24 1HG GLN 24 3.556 10.517 -4.364 76 1HE2 GLN 24 1HE2 GLN 24 6.780 11.423 -5.546 77 2HE2 GLN 24 2HE2 GLN 24 6.245 11.970 -7.095 78 H ASP 25 HN ASP 25 2.800 13.455 -2.205 79 HA ASP 25 HA ASP 25 0.371 12.051 -1.732 80 1HB ASP 25 2HB ASP 25 -0.065 14.536 -3.187 81 2HB ASP 25 1HB ASP 25 -0.602 14.069 -1.596 82 H PHE 26 HN PHE 26 -1.262 11.570 -3.149 83 HA PHE 26 HA PHE 26 -0.760 11.745 -6.007 84 1HB PHE 26 2HB PHE 26 0.155 9.554 -5.204 85 2HB PHE 26 1HB PHE 26 -1.471 9.107 -4.742 86 HD1 PHE 26 1HD PHE 26 -3.115 8.491 -6.356 87 HD2 PHE 26 2HD PHE 26 0.737 9.824 -7.578 88 HE1 PHE 26 1HE PHE 26 -3.562 7.687 -8.636 89 HE2 PHE 26 2HE PHE 26 0.297 9.021 -9.861 90 HZ PHE 26 HZ PHE 26 -1.856 7.951 -10.392 91 H SER 27 HN SER 27 -2.626 11.454 -7.280 92 HA SER 27 HA SER 27 -5.135 11.476 -5.791 93 1HB SER 27 2HB SER 27 -5.743 12.914 -7.960 94 2HB SER 27 1HB SER 27 -5.107 13.650 -6.500 95 HG SER 27 HG SER 27 -4.110 13.964 -8.803 96 H ALA 28 HN ALA 28 -6.674 10.180 -6.613 97 HA ALA 28 HA ALA 28 -6.107 7.996 -8.083 98 1HB ALA 28 1HB ALA 28 -8.162 8.605 -6.673 99 2HB ALA 28 2HB ALA 28 -8.350 7.472 -8.007 100 3HB ALA 28 3HB ALA 28 -8.846 9.149 -8.197 101 H ALA 29 HN ALA 29 -7.702 7.417 -10.014 102 HA ALA 29 HA ALA 29 -8.261 9.080 -12.115 103 1HB ALA 29 1HB ALA 29 -6.160 8.379 -13.575 104 2HB ALA 29 2HB ALA 29 -5.370 8.391 -11.998 105 3HB ALA 29 3HB ALA 29 -6.162 9.847 -12.598 106 H HIS 30 HN HIS 30 -7.028 5.979 -11.044 107 HA HIS 30 HA HIS 30 -8.318 4.677 -13.327 108 1HB HIS 30 2HB HIS 30 -5.860 4.200 -11.997 109 2HB HIS 30 1HB HIS 30 -6.889 2.803 -11.703 110 HD1 HIS 30 1HD HIS 30 -7.689 1.466 -13.824 111 HD2 HIS 30 2HD HIS 30 -4.877 4.434 -14.568 112 HE1 HIS 30 1HE HIS 30 -6.811 0.998 -16.134 113 HE2 HIS 30 2HE HIS 30 -5.047 2.754 -16.526 114 H SER 31 HN SER 31 -9.040 2.352 -12.639 115 HA SER 31 HA SER 31 -11.475 2.441 -11.492 116 1HB SER 31 2HB SER 31 -9.491 0.186 -11.617 117 2HB SER 31 1HB SER 31 -11.101 -0.046 -10.937 118 HG SER 31 HG SER 31 -10.898 -0.509 -13.230 119 H SER 32 HN SER 32 -8.941 0.778 -9.642 120 HA SER 32 HA SER 32 -10.302 1.563 -7.195 121 1HB SER 32 2HB SER 32 -8.417 -0.002 -6.233 122 2HB SER 32 1HB SER 32 -9.808 -0.692 -7.067 123 HG SER 32 HG SER 32 -8.280 -1.615 -8.203 124 H GLU 33 HN GLU 33 -9.059 3.749 -8.422 125 HA GLU 33 HA GLU 33 -6.600 4.162 -6.910 126 1HB GLU 33 2HB GLU 33 -7.803 5.317 -9.358 127 2HB GLU 33 1HB GLU 33 -6.788 6.358 -8.388 128 1HG GLU 33 2HG GLU 33 -5.252 4.199 -8.478 129 2HG GLU 33 1HG GLU 33 -6.100 4.040 -10.009 130 H LEU 34 HN LEU 34 -6.308 6.047 -5.638 131 HA LEU 34 HA LEU 34 -8.601 7.705 -5.073 132 1HB LEU 34 2HB LEU 34 -8.014 7.243 -2.541 133 2HB LEU 34 1HB LEU 34 -9.229 6.338 -3.415 134 HG LEU 34 HG LEU 34 -7.328 4.636 -3.876 135 1HD1 LEU 34 1HD1 LEU 34 -5.411 5.772 -3.178 136 2HD1 LEU 34 2HD1 LEU 34 -5.751 4.632 -1.875 137 3HD1 LEU 34 3HD1 LEU 34 -6.174 6.334 -1.691 138 1HD2 LEU 34 1HD2 LEU 34 -8.706 5.139 -1.255 139 2HD2 LEU 34 2HD2 LEU 34 -7.705 3.711 -1.517 140 3HD2 LEU 34 3HD2 LEU 34 -9.127 3.989 -2.524 141 H SER 35 HN SER 35 -7.985 9.462 -3.526 142 HA SER 35 HA SER 35 -5.369 10.406 -4.214 143 1HB SER 35 2HB SER 35 -6.297 12.446 -2.855 144 2HB SER 35 1HB SER 35 -6.852 12.148 -4.499 145 HG SER 35 HG SER 35 -8.182 11.751 -2.063 146 H ILE 36 HN ILE 36 -3.724 10.323 -2.987 147 HA ILE 36 HA ILE 36 -4.045 9.953 -0.092 148 HB ILE 36 HB ILE 36 -1.714 8.787 -0.354 149 1HG1 ILE 36 2HG1 ILE 36 -1.715 9.314 -2.851 150 2HG1 ILE 36 1HG1 ILE 36 -1.289 7.677 -2.399 151 1HG2 ILE 36 1HG2 ILE 36 -3.417 6.712 -1.175 152 2HG2 ILE 36 2HG2 ILE 36 -4.419 7.850 -0.275 153 3HG2 ILE 36 3HG2 ILE 36 -2.974 7.167 0.470 154 1HD1 ILE 36 1HD1 ILE 36 -3.297 8.566 -4.182 155 2HD1 ILE 36 2HD1 ILE 36 -4.079 7.740 -2.836 156 3HD1 ILE 36 3HD1 ILE 36 -2.835 6.915 -3.774 157 H GLN 37 HN GLN 37 -2.089 10.618 1.119 158 HA GLN 37 HA GLN 37 -0.678 12.834 -0.134 159 1HB GLN 37 2HB GLN 37 -2.389 12.782 2.270 160 2HB GLN 37 1HB GLN 37 -0.909 13.706 2.389 161 1HG GLN 37 2HG GLN 37 -1.754 15.373 1.194 162 2HG GLN 37 1HG GLN 37 -2.272 14.271 -0.081 163 1HE2 GLN 37 1HE2 GLN 37 -4.048 15.888 -0.143 164 2HE2 GLN 37 2HE2 GLN 37 -5.415 15.621 0.880 165 H VAL 38 HN VAL 38 1.361 13.290 0.632 166 HA VAL 38 HA VAL 38 2.954 11.108 1.404 167 HB VAL 38 HB VAL 38 3.888 12.977 0.183 168 1HG1 VAL 38 1HG1 VAL 38 3.989 14.836 2.449 169 2HG1 VAL 38 2HG1 VAL 38 2.389 14.583 1.751 170 3HG1 VAL 38 3HG1 VAL 38 3.716 15.143 0.734 171 1HG2 VAL 38 1HG2 VAL 38 5.289 11.647 1.885 172 2HG2 VAL 38 2HG2 VAL 38 5.240 13.119 2.856 173 3HG2 VAL 38 3HG2 VAL 38 5.960 13.148 1.246 174 H GLY 39 HN GLY 39 3.462 10.287 3.370 175 1HA GLY 39 2HA GLY 39 4.164 10.640 5.639 176 2HA GLY 39 1HA GLY 39 3.062 11.993 5.736 177 H GLN 40 HN GLN 40 0.872 10.408 4.505 178 HA GLN 40 HA GLN 40 -0.165 9.385 6.909 179 1HB GLN 40 2HB GLN 40 -2.152 9.038 5.762 180 2HB GLN 40 1HB GLN 40 -1.460 10.467 5.063 181 1HG GLN 40 2HG GLN 40 -0.587 9.085 3.241 182 2HG GLN 40 1HG GLN 40 -1.438 7.711 3.926 183 1HE2 GLN 40 1HE2 GLN 40 -3.100 7.278 2.655 184 2HE2 GLN 40 2HE2 GLN 40 -4.229 8.429 2.037 185 H THR 41 HN THR 41 -1.218 7.241 7.042 186 HA THR 41 HA THR 41 0.515 5.177 5.860 187 HB THR 41 HB THR 41 -0.555 5.304 8.674 188 HG1 THR 41 1HG THR 41 1.453 6.109 8.609 189 1HG2 THR 41 1HG2 THR 41 -1.070 3.060 8.101 190 2HG2 THR 41 2HG2 THR 41 0.479 2.989 8.940 191 3HG2 THR 41 3HG2 THR 41 0.422 2.870 7.181 192 H VAL 42 HN VAL 42 -0.425 3.722 4.729 193 HA VAL 42 HA VAL 42 -3.073 2.822 5.415 194 HB VAL 42 HB VAL 42 -2.585 4.482 3.072 195 1HG1 VAL 42 1HG1 VAL 42 -2.412 2.603 1.725 196 2HG1 VAL 42 2HG1 VAL 42 -4.125 3.009 1.637 197 3HG1 VAL 42 3HG1 VAL 42 -3.568 1.706 2.671 198 1HG2 VAL 42 1HG2 VAL 42 -4.916 3.444 4.618 199 2HG2 VAL 42 2HG2 VAL 42 -5.186 4.163 3.031 200 3HG2 VAL 42 3HG2 VAL 42 -4.425 5.110 4.311 201 H GLU 43 HN GLU 43 -3.416 0.757 4.890 202 HA GLU 43 HA GLU 43 -1.085 -0.825 4.601 203 1HB GLU 43 2HB GLU 43 -2.581 -2.722 4.931 204 2HB GLU 43 1HB GLU 43 -2.909 -1.460 6.110 205 1HG GLU 43 2HG GLU 43 -4.771 -0.679 4.632 206 2HG GLU 43 1HG GLU 43 -4.500 -2.112 3.641 207 H LEU 44 HN LEU 44 -0.258 -1.724 2.799 208 HA LEU 44 HA LEU 44 -1.504 -1.252 0.298 209 1HB LEU 44 2HB LEU 44 0.378 -2.581 -0.618 210 2HB LEU 44 1HB LEU 44 0.819 -1.151 0.253 211 HG LEU 44 HG LEU 44 1.211 -2.790 2.246 212 1HD1 LEU 44 1HD1 LEU 44 0.936 -4.604 -0.104 213 2HD1 LEU 44 2HD1 LEU 44 0.375 -4.819 1.553 214 3HD1 LEU 44 3HD1 LEU 44 2.087 -4.995 1.173 215 1HD2 LEU 44 1HD2 LEU 44 2.871 -1.526 0.655 216 2HD2 LEU 44 2HD2 LEU 44 3.191 -3.153 0.056 217 3HD2 LEU 44 3HD2 LEU 44 3.447 -2.774 1.759 218 H LEU 45 HN LEU 45 -2.211 -2.663 -1.162 219 HA LEU 45 HA LEU 45 -3.722 -4.857 -0.113 220 1HB LEU 45 2HB LEU 45 -3.373 -4.303 -3.037 221 2HB LEU 45 1HB LEU 45 -4.754 -4.984 -2.211 222 HG LEU 45 HG LEU 45 -3.933 -2.115 -1.783 223 1HD1 LEU 45 1HD1 LEU 45 -5.604 -3.301 -3.979 224 2HD1 LEU 45 2HD1 LEU 45 -4.275 -2.154 -4.108 225 3HD1 LEU 45 3HD1 LEU 45 -5.815 -1.640 -3.433 226 1HD2 LEU 45 1HD2 LEU 45 -6.174 -1.821 -1.069 227 2HD2 LEU 45 2HD2 LEU 45 -5.494 -3.188 -0.191 228 3HD2 LEU 45 3HD2 LEU 45 -6.604 -3.464 -1.534 229 H GLU 46 HN GLU 46 -1.109 -4.650 -2.560 230 HA GLU 46 HA GLU 46 -0.284 -7.312 -1.771 231 1HB GLU 46 2HB GLU 46 0.161 -7.566 -4.388 232 2HB GLU 46 1HB GLU 46 -1.338 -8.082 -3.645 233 1HG GLU 46 2HG GLU 46 -2.363 -5.948 -4.310 234 2HG GLU 46 1HG GLU 46 -0.853 -5.495 -5.103 235 H ARG 47 HN ARG 47 1.770 -7.736 -3.331 236 HA ARG 47 HA ARG 47 3.541 -5.428 -2.909 237 1HB ARG 47 2HB ARG 47 3.967 -8.373 -2.557 238 2HB ARG 47 1HB ARG 47 5.335 -7.313 -2.859 239 1HG ARG 47 2HG ARG 47 5.412 -7.076 -0.644 240 2HG ARG 47 1HG ARG 47 4.032 -5.997 -0.851 241 1HD ARG 47 2HD ARG 47 3.515 -7.589 0.871 242 2HD ARG 47 1HD ARG 47 2.527 -7.945 -0.546 243 HE ARG 47 HE ARG 47 4.918 -9.464 -0.582 244 1HH1 ARG 47 1HH1 ARG 47 1.794 -9.301 0.986 245 2HH1 ARG 47 2HH1 ARG 47 1.740 -10.999 1.320 246 1HH2 ARG 47 1HH2 ARG 47 4.839 -11.692 -0.138 247 2HH2 ARG 47 2HH2 ARG 47 3.466 -12.354 0.684 248 HA PRO 48 HA PRO 48 4.897 -5.405 -7.119 249 1HB PRO 48 2HB PRO 48 7.731 -5.682 -6.367 250 2HB PRO 48 1HB PRO 48 6.902 -4.326 -7.129 251 1HG PRO 48 2HG PRO 48 7.759 -4.198 -4.596 252 2HG PRO 48 1HG PRO 48 6.258 -3.408 -5.115 253 1HD PRO 48 2HD PRO 48 6.631 -5.998 -3.655 254 2HD PRO 48 1HD PRO 48 5.442 -4.707 -3.373 255 H SER 49 HN SER 49 3.989 -7.829 -6.845 256 HA SER 49 HA SER 49 6.021 -9.840 -7.211 257 1HB SER 49 2HB SER 49 3.582 -9.974 -6.115 258 2HB SER 49 1HB SER 49 3.195 -10.496 -7.754 259 HG SER 49 HG SER 49 4.973 -12.030 -7.481 260 H GLU 50 HN GLU 50 3.453 -8.449 -9.133 261 HA GLU 50 HA GLU 50 4.266 -9.814 -11.513 262 1HB GLU 50 2HB GLU 50 2.372 -8.805 -12.504 263 2HB GLU 50 1HB GLU 50 1.905 -9.281 -10.891 264 1HG GLU 50 2HG GLU 50 2.395 -6.922 -10.195 265 2HG GLU 50 1HG GLU 50 2.497 -6.540 -11.912 266 H ARG 51 HN ARG 51 4.450 -6.632 -10.135 267 HA ARG 51 HA ARG 51 6.460 -5.896 -12.147 268 1HB ARG 51 2HB ARG 51 5.555 -3.497 -11.879 269 2HB ARG 51 1HB ARG 51 4.664 -4.608 -12.909 270 1HG ARG 51 2HG ARG 51 3.264 -5.077 -10.796 271 2HG ARG 51 1HG ARG 51 3.979 -3.588 -10.198 272 1HD ARG 51 2HD ARG 51 1.741 -3.346 -11.328 273 2HD ARG 51 1HD ARG 51 3.028 -2.310 -11.942 274 HE ARG 51 HE ARG 51 2.723 -4.797 -13.366 275 1HH1 ARG 51 1HH1 ARG 51 1.697 -1.458 -13.159 276 2HH1 ARG 51 2HH1 ARG 51 1.200 -1.384 -14.816 277 1HH2 ARG 51 1HH2 ARG 51 2.067 -4.689 -15.541 278 2HH2 ARG 51 2HH2 ARG 51 1.409 -3.213 -16.165 279 HA PRO 52 HA PRO 52 8.468 -4.678 -8.333 280 1HB PRO 52 2HB PRO 52 10.944 -4.456 -9.279 281 2HB PRO 52 1HB PRO 52 10.136 -6.028 -9.260 282 1HG PRO 52 2HG PRO 52 10.711 -4.233 -11.545 283 2HG PRO 52 1HG PRO 52 10.529 -5.994 -11.516 284 1HD PRO 52 2HD PRO 52 8.558 -4.018 -12.216 285 2HD PRO 52 1HD PRO 52 8.378 -5.783 -12.182 286 H GLY 53 HN GLY 53 7.962 -2.711 -7.593 287 1HA GLY 53 2HA GLY 53 9.231 -0.518 -7.443 288 2HA GLY 53 1HA GLY 53 8.835 -0.367 -9.143 289 H TRP 54 HN TRP 54 6.217 -1.781 -8.226 290 HA TRP 54 HA TRP 54 4.821 0.670 -7.661 291 1HB TRP 54 2HB TRP 54 3.040 -0.166 -8.802 292 2HB TRP 54 1HB TRP 54 4.344 -1.000 -9.604 293 HD1 TRP 54 1HD TRP 54 4.741 -3.317 -7.389 294 HE1 TRP 54 1HE TRP 54 2.956 -5.182 -7.233 295 HE3 TRP 54 3HE TRP 54 0.885 -0.885 -9.614 296 HZ2 TRP 54 2HZ TRP 54 0.248 -5.552 -7.981 297 HZ3 TRP 54 3HZ TRP 54 -1.278 -2.045 -9.876 298 HH2 TRP 54 2HH TRP 54 -1.589 -4.330 -9.068 299 H CYS 55 HN CYS 55 2.821 0.581 -6.320 300 HA CYS 55 HA CYS 55 2.620 -1.488 -4.344 301 1HB CYS 55 2HB CYS 55 4.374 0.444 -3.641 302 2HB CYS 55 1HB CYS 55 2.905 1.067 -2.937 303 HG CYS 55 HG CYS 55 4.312 -1.553 -2.101 304 H LEU 56 HN LEU 56 0.805 -1.280 -2.984 305 HA LEU 56 HA LEU 56 -1.284 0.441 -4.127 306 1HB LEU 56 2HB LEU 56 -1.274 -2.349 -3.070 307 2HB LEU 56 1HB LEU 56 -2.747 -1.423 -3.139 308 HG LEU 56 HG LEU 56 -2.824 -1.433 -5.454 309 1HD1 LEU 56 1HD1 LEU 56 0.134 -2.010 -5.394 310 2HD1 LEU 56 2HD1 LEU 56 -0.686 -0.597 -6.062 311 3HD1 LEU 56 3HD1 LEU 56 -0.843 -2.165 -6.856 312 1HD2 LEU 56 1HD2 LEU 56 -1.855 -3.946 -4.261 313 2HD2 LEU 56 2HD2 LEU 56 -1.884 -3.870 -6.022 314 3HD2 LEU 56 3HD2 LEU 56 -3.364 -3.600 -5.102 315 H VAL 57 HN VAL 57 -3.072 1.075 -2.659 316 HA VAL 57 HA VAL 57 -2.269 1.138 0.177 317 HB VAL 57 HB VAL 57 -3.195 3.601 0.081 318 1HG1 VAL 57 1HG1 VAL 57 -0.509 2.505 -0.402 319 2HG1 VAL 57 2HG1 VAL 57 -1.067 3.636 0.831 320 3HG1 VAL 57 3HG1 VAL 57 -0.719 4.211 -0.793 321 1HG2 VAL 57 1HG2 VAL 57 -3.552 3.105 -2.517 322 2HG2 VAL 57 2HG2 VAL 57 -1.922 3.777 -2.560 323 3HG2 VAL 57 3HG2 VAL 57 -3.245 4.715 -1.866 324 H ARG 58 HN ARG 58 -3.926 0.432 1.437 325 HA ARG 58 HA ARG 58 -6.687 0.790 0.488 326 1HB ARG 58 2HB ARG 58 -6.560 -1.475 0.782 327 2HB ARG 58 1HB ARG 58 -5.314 -1.368 1.995 328 1HG ARG 58 2HG ARG 58 -6.800 -1.715 3.607 329 2HG ARG 58 1HG ARG 58 -7.773 -0.345 3.080 330 1HD ARG 58 2HD ARG 58 -7.895 -3.127 1.948 331 2HD ARG 58 1HD ARG 58 -9.065 -2.399 3.053 332 HE ARG 58 HE ARG 58 -8.655 -0.835 0.685 333 1HH1 ARG 58 1HH1 ARG 58 -10.388 -3.588 2.030 334 2HH1 ARG 58 2HH1 ARG 58 -11.689 -3.492 0.893 335 1HH2 ARG 58 1HH2 ARG 58 -10.410 -0.749 -0.823 336 2HH2 ARG 58 2HH2 ARG 58 -11.701 -1.890 -0.710 337 H THR 59 HN THR 59 -8.270 1.745 1.913 338 HA THR 59 HA THR 59 -7.093 2.953 4.334 339 HB THR 59 HB THR 59 -7.730 4.609 2.644 340 HG1 THR 59 1HG THR 59 -9.442 4.587 4.904 341 1HG2 THR 59 1HG2 THR 59 -10.541 3.617 3.002 342 2HG2 THR 59 2HG2 THR 59 -9.548 3.406 1.560 343 3HG2 THR 59 3HG2 THR 59 -10.031 5.025 2.067 344 H THR 60 HN THR 60 -7.993 2.537 6.228 345 HA THR 60 HA THR 60 -10.480 0.969 6.259 346 HB THR 60 HB THR 60 -8.728 0.796 8.616 347 HG1 THR 60 1HG THR 60 -7.924 -0.235 6.105 348 1HG2 THR 60 1HG2 THR 60 -10.707 -0.625 8.333 349 2HG2 THR 60 2HG2 THR 60 -9.217 -1.555 8.484 350 3HG2 THR 60 3HG2 THR 60 -9.966 -1.339 6.902 351 H GLU 61 HN GLU 61 -9.041 3.906 7.227 352 HA GLU 61 HA GLU 61 -10.784 4.279 9.508 353 1HB GLU 61 2HB GLU 61 -8.898 6.235 8.189 354 2HB GLU 61 1HB GLU 61 -9.711 6.465 9.732 355 1HG GLU 61 2HG GLU 61 -7.612 4.410 9.087 356 2HG GLU 61 1HG GLU 61 -7.428 5.834 10.111 357 H ARG 62 HN ARG 62 -11.600 4.106 6.511 358 HA ARG 62 HA ARG 62 -13.591 6.207 6.662 359 1HB ARG 62 2HB ARG 62 -11.490 5.852 4.618 360 2HB ARG 62 1HB ARG 62 -13.110 6.062 3.979 361 1HG ARG 62 2HG ARG 62 -13.097 8.059 5.744 362 2HG ARG 62 1HG ARG 62 -11.368 7.965 5.407 363 1HD ARG 62 2HD ARG 62 -11.604 8.757 3.312 364 2HD ARG 62 1HD ARG 62 -13.098 7.862 3.035 365 HE ARG 62 HE ARG 62 -14.219 9.780 3.501 366 1HH1 ARG 62 1HH1 ARG 62 -11.141 9.936 5.155 367 2HH1 ARG 62 2HH1 ARG 62 -11.423 11.523 5.784 368 1HH2 ARG 62 1HH2 ARG 62 -14.582 11.865 4.332 369 2HH2 ARG 62 2HH2 ARG 62 -13.374 12.616 5.319 370 H SER 63 HN SER 63 -15.181 4.757 7.129 371 HA SER 63 HA SER 63 -15.433 2.285 5.686 372 1HB SER 63 2HB SER 63 -17.735 2.393 7.056 373 2HB SER 63 1HB SER 63 -16.210 1.918 7.801 374 HG SER 63 HG SER 63 -17.392 3.557 8.965 375 HA PRO 64 HA PRO 64 -16.438 0.898 4.525 376 1HB PRO 64 2HB PRO 64 -16.606 0.251 1.923 377 2HB PRO 64 1HB PRO 64 -18.024 0.238 2.980 378 1HG PRO 64 2HG PRO 64 -17.142 2.322 1.021 379 2HG PRO 64 1HG PRO 64 -18.767 1.681 1.317 380 1HD PRO 64 2HD PRO 64 -17.869 4.052 2.338 381 2HD PRO 64 1HD PRO 64 -19.117 3.059 3.114 382 HA PRO 65 HA PRO 65 -12.128 1.671 3.669 383 1HB PRO 65 2HB PRO 65 -12.156 -1.062 2.478 384 2HB PRO 65 1HB PRO 65 -11.059 -0.367 3.676 385 1HG PRO 65 2HG PRO 65 -12.968 -2.074 4.412 386 2HG PRO 65 1HG PRO 65 -12.552 -0.678 5.423 387 1HD PRO 65 2HD PRO 65 -14.923 -1.115 3.676 388 2HD PRO 65 1HD PRO 65 -14.791 -0.214 5.198 389 H GLN 66 HN GLN 66 -10.610 1.762 1.885 390 HA GLN 66 HA GLN 66 -11.768 1.553 -0.748 391 1HB GLN 66 2HB GLN 66 -11.485 3.983 0.631 392 2HB GLN 66 1HB GLN 66 -10.192 3.954 -0.552 393 1HG GLN 66 2HG GLN 66 -12.310 3.102 -2.020 394 2HG GLN 66 1HG GLN 66 -13.066 4.238 -0.905 395 1HE2 GLN 66 1HE2 GLN 66 -11.014 6.063 -0.599 396 2HE2 GLN 66 2HE2 GLN 66 -10.751 6.881 -2.098 397 H GLU 67 HN GLU 67 -9.955 1.866 -2.439 398 HA GLU 67 HA GLU 67 -7.392 1.078 -1.327 399 1HB GLU 67 2HB GLU 67 -7.426 -0.498 -3.541 400 2HB GLU 67 1HB GLU 67 -7.732 -1.038 -1.914 401 1HG GLU 67 2HG GLU 67 -9.775 -1.676 -2.441 402 2HG GLU 67 1HG GLU 67 -10.168 -0.090 -3.097 403 H GLY 68 HN GLY 68 -5.620 1.387 -2.655 404 1HA GLY 68 2HA GLY 68 -6.103 3.127 -5.004 405 2HA GLY 68 1HA GLY 68 -5.056 3.676 -3.714 406 H LEU 69 HN LEU 69 -4.114 3.632 -6.222 407 HA LEU 69 HA LEU 69 -2.058 1.573 -6.041 408 1HB LEU 69 2HB LEU 69 -3.982 1.947 -8.262 409 2HB LEU 69 1HB LEU 69 -2.315 1.615 -8.700 410 HG LEU 69 HG LEU 69 -2.508 -0.349 -7.038 411 1HD1 LEU 69 1HD1 LEU 69 -5.235 0.669 -7.083 412 2HD1 LEU 69 2HD1 LEU 69 -4.469 -0.466 -5.975 413 3HD1 LEU 69 3HD1 LEU 69 -5.139 -1.041 -7.498 414 1HD2 LEU 69 1HD2 LEU 69 -2.364 -0.361 -9.583 415 2HD2 LEU 69 2HD2 LEU 69 -4.111 -0.609 -9.561 416 3HD2 LEU 69 3HD2 LEU 69 -3.041 -1.791 -8.804 417 H VAL 70 HN VAL 70 -0.101 2.293 -6.377 418 HA VAL 70 HA VAL 70 0.517 4.463 -8.147 419 HB VAL 70 HB VAL 70 1.822 5.572 -6.086 420 1HG1 VAL 70 1HG1 VAL 70 0.524 7.370 -6.474 421 2HG1 VAL 70 2HG1 VAL 70 -0.977 6.476 -6.231 422 3HG1 VAL 70 3HG1 VAL 70 -0.118 6.358 -7.767 423 1HG2 VAL 70 1HG2 VAL 70 0.286 3.811 -4.675 424 2HG2 VAL 70 2HG2 VAL 70 -0.692 5.276 -4.613 425 3HG2 VAL 70 3HG2 VAL 70 0.971 5.302 -4.028 426 HA PRO 71 HA PRO 71 4.268 2.246 -7.814 427 1HB PRO 71 2HB PRO 71 6.220 4.045 -8.380 428 2HB PRO 71 1HB PRO 71 5.129 3.351 -9.581 429 1HG PRO 71 2HG PRO 71 5.211 6.075 -8.540 430 2HG PRO 71 1HG PRO 71 4.325 5.442 -9.935 431 1HD PRO 71 2HD PRO 71 3.350 6.015 -7.259 432 2HD PRO 71 1HD PRO 71 2.426 5.589 -8.704 433 H SER 72 HN SER 72 6.067 1.727 -6.577 434 HA SER 72 HA SER 72 5.977 2.177 -3.891 435 1HB SER 72 2HB SER 72 7.283 0.378 -5.007 436 2HB SER 72 1HB SER 72 8.497 1.576 -5.455 437 HG SER 72 HG SER 72 8.661 0.241 -3.366 438 H SER 73 HN SER 73 7.401 4.228 -6.318 439 HA SER 73 HA SER 73 9.177 5.710 -4.751 440 1HB SER 73 2HB SER 73 8.760 7.543 -6.435 441 2HB SER 73 1HB SER 73 9.200 5.988 -7.139 442 HG SER 73 HG SER 73 7.253 5.796 -7.969 443 H THR 74 HN THR 74 5.678 5.826 -5.047 444 HA THR 74 HA THR 74 5.550 8.169 -3.306 445 HB THR 74 HB THR 74 3.441 8.544 -4.134 446 HG1 THR 74 1HG THR 74 2.154 6.909 -3.914 447 1HG2 THR 74 1HG2 THR 74 4.890 8.729 -6.025 448 2HG2 THR 74 2HG2 THR 74 3.347 8.048 -6.526 449 3HG2 THR 74 3HG2 THR 74 4.751 7.004 -6.329 450 H LEU 75 HN LEU 75 5.568 4.852 -3.058 451 HA LEU 75 HA LEU 75 3.993 4.883 -0.614 452 1HB LEU 75 2HB LEU 75 4.505 2.600 -2.512 453 2HB LEU 75 1HB LEU 75 3.572 2.507 -1.031 454 HG LEU 75 HG LEU 75 2.417 4.597 -2.492 455 1HD1 LEU 75 1HD1 LEU 75 2.774 4.204 -4.649 456 2HD1 LEU 75 2HD1 LEU 75 1.905 2.684 -4.474 457 3HD1 LEU 75 3HD1 LEU 75 3.654 2.720 -4.292 458 1HD2 LEU 75 1HD2 LEU 75 0.495 3.455 -2.132 459 2HD2 LEU 75 2HD2 LEU 75 1.524 2.521 -1.050 460 3HD2 LEU 75 3HD2 LEU 75 1.166 1.919 -2.667 461 H CYS 76 HN CYS 76 4.745 2.723 0.598 462 HA CYS 76 HA CYS 76 7.233 3.295 1.728 463 1HB CYS 76 2HB CYS 76 5.486 1.983 2.877 464 2HB CYS 76 1HB CYS 76 5.778 0.643 1.773 465 HG CYS 76 HG CYS 76 7.972 1.597 3.763 466 H ILE 77 HN ILE 77 9.275 2.749 1.259 467 HA ILE 77 HA ILE 77 9.715 0.796 -0.908 468 HB ILE 77 HB ILE 77 11.752 2.084 -1.499 469 1HG1 ILE 77 2HG1 ILE 77 10.614 4.198 0.343 470 2HG1 ILE 77 1HG1 ILE 77 12.007 3.191 0.725 471 1HG2 ILE 77 1HG2 ILE 77 10.080 2.566 -2.978 472 2HG2 ILE 77 2HG2 ILE 77 10.359 4.173 -2.306 473 3HG2 ILE 77 3HG2 ILE 77 9.006 3.198 -1.730 474 1HD1 ILE 77 1HD1 ILE 77 11.902 5.630 -0.732 475 2HD1 ILE 77 2HD1 ILE 77 12.505 4.355 -1.789 476 3HD1 ILE 77 3HD1 ILE 77 13.307 4.681 -0.253 477 H SER 78 HN SER 78 11.567 -0.522 -0.772 478 HA SER 78 HA SER 78 13.077 -1.859 0.278 479 1HB SER 78 2HB SER 78 13.511 0.717 1.787 480 2HB SER 78 1HB SER 78 14.461 -0.732 2.112 481 HG SER 78 HG SER 78 14.946 -0.695 -0.206 482 H HIS 79 HN HIS 79 11.766 -3.416 1.135 483 HA HIS 79 HA HIS 79 10.952 -3.037 3.943 484 1HB HIS 79 2HB HIS 79 9.148 -3.281 2.044 485 2HB HIS 79 1HB HIS 79 9.550 -4.991 2.161 486 HD1 HIS 79 1HD HIS 79 8.339 -6.273 3.909 487 HD2 HIS 79 2HD HIS 79 8.258 -2.182 4.636 488 HE1 HIS 79 1HE HIS 79 6.832 -5.974 5.899 489 HE2 HIS 79 2HE HIS 79 6.866 -3.499 6.372 490 H SER 80 HN SER 80 11.188 -4.793 5.349 491 HA SER 80 HA SER 80 13.445 -6.421 4.907 492 1HB SER 80 2HB SER 80 11.443 -7.223 6.965 493 2HB SER 80 1HB SER 80 13.197 -7.091 7.092 494 HG SER 80 HG SER 80 13.008 -4.892 7.287 Start of MODEL 8 1 H SER 14 HN SER 14 -10.698 -9.299 3.506 2 HA SER 14 HA SER 14 -8.758 -9.531 1.488 3 1HB SER 14 2HB SER 14 -9.132 -7.678 3.820 4 2HB SER 14 1HB SER 14 -7.659 -7.595 2.854 5 HG SER 14 HG SER 14 -10.016 -6.538 2.309 6 H GLY 15 HN GLY 15 -7.349 -11.192 1.548 7 1HA GLY 15 2HA GLY 15 -5.897 -11.684 4.066 8 2HA GLY 15 1HA GLY 15 -6.088 -12.851 2.766 9 H GLY 16 HN GLY 16 -4.048 -10.573 4.158 10 1HA GLY 16 2HA GLY 16 -1.726 -10.584 3.492 11 2HA GLY 16 1HA GLY 16 -2.255 -10.747 1.825 12 H CYS 17 HN CYS 17 -2.580 -8.511 4.578 13 HA CYS 17 HA CYS 17 -2.079 -6.300 2.726 14 1HB CYS 17 2HB CYS 17 -3.722 -4.967 4.214 15 2HB CYS 17 1HB CYS 17 -4.383 -6.048 2.995 16 HG CYS 17 HG CYS 17 -4.216 -7.101 5.898 17 H GLU 18 HN GLU 18 -0.698 -4.817 3.443 18 HA GLU 18 HA GLU 18 0.095 -4.888 6.272 19 1HB GLU 18 2HB GLU 18 1.808 -6.040 4.964 20 2HB GLU 18 1HB GLU 18 1.976 -4.637 3.925 21 1HG GLU 18 2HG GLU 18 3.095 -3.423 5.508 22 2HG GLU 18 1HG GLU 18 2.380 -4.315 6.851 23 H LEU 19 HN LEU 19 0.657 -2.970 7.183 24 HA LEU 19 HA LEU 19 -0.497 -0.638 5.970 25 1HB LEU 19 2HB LEU 19 1.106 -0.453 8.449 26 2HB LEU 19 1HB LEU 19 -0.322 0.436 7.987 27 HG LEU 19 HG LEU 19 -0.737 -2.460 8.421 28 1HD1 LEU 19 1HD1 LEU 19 0.629 -2.295 10.277 29 2HD1 LEU 19 2HD1 LEU 19 -0.959 -1.896 10.934 30 3HD1 LEU 19 3HD1 LEU 19 0.195 -0.612 10.574 31 1HD2 LEU 19 1HD2 LEU 19 -2.845 -1.811 8.934 32 2HD2 LEU 19 2HD2 LEU 19 -2.373 -0.401 7.987 33 3HD2 LEU 19 3HD2 LEU 19 -2.312 -0.340 9.748 34 H THR 20 HN THR 20 0.458 1.047 5.045 35 HA THR 20 HA THR 20 3.348 1.379 5.277 36 HB THR 20 HB THR 20 2.868 -0.012 3.248 37 HG1 THR 20 1HG THR 20 4.273 1.190 1.951 38 1HG2 THR 20 1HG2 THR 20 2.206 1.392 1.209 39 2HG2 THR 20 2HG2 THR 20 1.410 2.444 2.376 40 3HG2 THR 20 3HG2 THR 20 0.932 0.753 2.246 41 H VAL 21 HN VAL 21 4.113 3.476 4.735 42 HA VAL 21 HA VAL 21 2.009 5.529 4.805 43 HB VAL 21 HB VAL 21 3.983 7.014 5.563 44 1HG1 VAL 21 1HG1 VAL 21 3.174 6.862 7.659 45 2HG1 VAL 21 2HG1 VAL 21 3.412 5.116 7.737 46 3HG1 VAL 21 3HG1 VAL 21 2.004 5.778 6.905 47 1HG2 VAL 21 1HG2 VAL 21 5.829 5.985 6.624 48 2HG2 VAL 21 2HG2 VAL 21 5.682 5.224 5.040 49 3HG2 VAL 21 3HG2 VAL 21 5.108 4.382 6.479 50 H VAL 22 HN VAL 22 1.768 6.699 2.992 51 HA VAL 22 HA VAL 22 3.361 6.295 0.738 52 HB VAL 22 HB VAL 22 2.212 8.483 -0.039 53 1HG1 VAL 22 1HG1 VAL 22 1.296 5.761 0.216 54 2HG1 VAL 22 2HG1 VAL 22 1.207 6.863 -1.157 55 3HG1 VAL 22 3HG1 VAL 22 -0.039 6.906 0.088 56 1HG2 VAL 22 1HG2 VAL 22 0.379 7.854 2.245 57 2HG2 VAL 22 2HG2 VAL 22 0.264 9.177 1.090 58 3HG2 VAL 22 3HG2 VAL 22 1.564 9.161 2.283 59 H LEU 23 HN LEU 23 4.853 7.608 -0.286 60 HA LEU 23 HA LEU 23 6.285 9.410 1.484 61 1HB LEU 23 2HB LEU 23 7.422 8.635 -1.146 62 2HB LEU 23 1HB LEU 23 8.231 8.896 0.384 63 HG LEU 23 HG LEU 23 6.691 6.436 -0.451 64 1HD1 LEU 23 1HD1 LEU 23 9.502 6.335 0.446 65 2HD1 LEU 23 2HD1 LEU 23 9.201 7.077 -1.125 66 3HD1 LEU 23 3HD1 LEU 23 8.675 5.422 -0.815 67 1HD2 LEU 23 1HD2 LEU 23 6.635 5.693 1.666 68 2HD2 LEU 23 2HD2 LEU 23 6.813 7.390 2.108 69 3HD2 LEU 23 3HD2 LEU 23 8.230 6.345 2.041 70 H GLN 24 HN GLN 24 4.316 9.410 -1.337 71 HA GLN 24 HA GLN 24 4.695 12.272 -1.562 72 1HB GLN 24 2HB GLN 24 5.363 12.307 -3.742 73 2HB GLN 24 1HB GLN 24 6.141 10.839 -3.213 74 1HG GLN 24 2HG GLN 24 4.905 9.531 -4.554 75 2HG GLN 24 1HG GLN 24 3.470 10.541 -4.447 76 1HE2 GLN 24 1HE2 GLN 24 6.780 11.330 -5.398 77 2HE2 GLN 24 2HE2 GLN 24 6.378 11.885 -6.985 78 H ASP 25 HN ASP 25 2.894 13.368 -2.442 79 HA ASP 25 HA ASP 25 0.409 12.073 -1.907 80 1HB ASP 25 2HB ASP 25 0.049 14.468 -3.511 81 2HB ASP 25 1HB ASP 25 -0.493 14.121 -1.890 82 H PHE 26 HN PHE 26 -1.199 11.521 -3.327 83 HA PHE 26 HA PHE 26 -0.634 11.537 -6.181 84 1HB PHE 26 2HB PHE 26 0.240 9.387 -5.278 85 2HB PHE 26 1HB PHE 26 -1.385 8.984 -4.771 86 HD1 PHE 26 1HD PHE 26 -2.996 8.159 -6.283 87 HD2 PHE 26 2HD PHE 26 0.724 9.649 -7.717 88 HE1 PHE 26 1HE PHE 26 -3.485 7.235 -8.508 89 HE2 PHE 26 2HE PHE 26 0.241 8.727 -9.945 90 HZ PHE 26 HZ PHE 26 -1.867 7.517 -10.343 91 H SER 27 HN SER 27 -2.466 11.155 -7.489 92 HA SER 27 HA SER 27 -5.017 11.289 -6.088 93 1HB SER 27 2HB SER 27 -5.537 12.639 -8.336 94 2HB SER 27 1HB SER 27 -4.942 13.429 -6.888 95 HG SER 27 HG SER 27 -3.786 13.192 -9.316 96 H ALA 28 HN ALA 28 -6.570 9.984 -6.942 97 HA ALA 28 HA ALA 28 -5.998 7.722 -8.285 98 1HB ALA 28 1HB ALA 28 -8.251 7.272 -8.286 99 2HB ALA 28 2HB ALA 28 -8.684 8.935 -8.654 100 3HB ALA 28 3HB ALA 28 -8.129 8.510 -7.041 101 H ALA 29 HN ALA 29 -7.443 7.106 -10.304 102 HA ALA 29 HA ALA 29 -7.780 8.763 -12.481 103 1HB ALA 29 1HB ALA 29 -5.071 8.579 -11.997 104 2HB ALA 29 2HB ALA 29 -5.817 9.047 -13.523 105 3HB ALA 29 3HB ALA 29 -5.332 7.374 -13.255 106 H HIS 30 HN HIS 30 -6.858 5.601 -11.266 107 HA HIS 30 HA HIS 30 -8.155 4.349 -13.576 108 1HB HIS 30 2HB HIS 30 -5.759 3.736 -12.456 109 2HB HIS 30 1HB HIS 30 -6.815 2.601 -11.622 110 HD1 HIS 30 1HD HIS 30 -7.040 0.442 -12.789 111 HD2 HIS 30 2HD HIS 30 -6.265 3.547 -15.440 112 HE1 HIS 30 1HE HIS 30 -6.881 -0.634 -15.058 113 HE2 HIS 30 2HE HIS 30 -6.326 1.252 -16.632 114 H SER 31 HN SER 31 -9.083 2.105 -12.863 115 HA SER 31 HA SER 31 -11.560 2.393 -11.875 116 1HB SER 31 2HB SER 31 -9.720 0.023 -11.784 117 2HB SER 31 1HB SER 31 -11.366 -0.085 -11.161 118 HG SER 31 HG SER 31 -12.038 -0.220 -13.136 119 H SER 32 HN SER 32 -9.327 0.627 -9.757 120 HA SER 32 HA SER 32 -10.780 1.688 -7.469 121 1HB SER 32 2HB SER 32 -8.948 -0.636 -7.918 122 2HB SER 32 1HB SER 32 -9.180 -0.025 -6.280 123 HG SER 32 HG SER 32 -11.045 -1.191 -8.028 124 H GLU 33 HN GLU 33 -9.140 3.607 -8.734 125 HA GLU 33 HA GLU 33 -6.754 3.841 -7.093 126 1HB GLU 33 2HB GLU 33 -7.762 5.039 -9.601 127 2HB GLU 33 1HB GLU 33 -6.779 6.075 -8.592 128 1HG GLU 33 2HG GLU 33 -5.393 3.729 -8.619 129 2HG GLU 33 1HG GLU 33 -6.032 3.860 -10.249 130 H LEU 34 HN LEU 34 -6.336 5.778 -5.886 131 HA LEU 34 HA LEU 34 -8.516 7.578 -5.401 132 1HB LEU 34 2HB LEU 34 -8.012 7.163 -2.838 133 2HB LEU 34 1HB LEU 34 -9.287 6.353 -3.718 134 HG LEU 34 HG LEU 34 -7.505 4.462 -4.073 135 1HD1 LEU 34 1HD1 LEU 34 -5.570 5.598 -3.208 136 2HD1 LEU 34 2HD1 LEU 34 -6.013 4.322 -2.072 137 3HD1 LEU 34 3HD1 LEU 34 -6.412 6.003 -1.711 138 1HD2 LEU 34 1HD2 LEU 34 -9.072 5.187 -1.625 139 2HD2 LEU 34 2HD2 LEU 34 -8.119 3.705 -1.669 140 3HD2 LEU 34 3HD2 LEU 34 -9.413 3.960 -2.841 141 H SER 35 HN SER 35 -7.891 9.325 -3.907 142 HA SER 35 HA SER 35 -5.215 10.168 -4.523 143 1HB SER 35 2HB SER 35 -6.250 12.304 -3.293 144 2HB SER 35 1HB SER 35 -6.569 11.954 -4.991 145 HG SER 35 HG SER 35 -8.561 11.277 -4.495 146 H ILE 36 HN ILE 36 -3.658 10.405 -3.172 147 HA ILE 36 HA ILE 36 -4.142 10.163 -0.288 148 HB ILE 36 HB ILE 36 -2.015 8.857 -0.115 149 1HG1 ILE 36 2HG1 ILE 36 -1.628 7.616 -2.459 150 2HG1 ILE 36 1HG1 ILE 36 -2.191 9.160 -3.061 151 1HG2 ILE 36 1HG2 ILE 36 -3.163 6.918 -0.180 152 2HG2 ILE 36 2HG2 ILE 36 -3.702 7.169 -1.840 153 3HG2 ILE 36 3HG2 ILE 36 -4.535 7.976 -0.512 154 1HD1 ILE 36 1HD1 ILE 36 -0.414 10.305 -1.955 155 2HD1 ILE 36 2HD1 ILE 36 0.259 8.986 -2.909 156 3HD1 ILE 36 3HD1 ILE 36 0.103 8.822 -1.160 157 H GLN 37 HN GLN 37 -2.187 10.861 0.951 158 HA GLN 37 HA GLN 37 -0.686 12.960 -0.374 159 1HB GLN 37 2HB GLN 37 -2.519 13.143 1.925 160 2HB GLN 37 1HB GLN 37 -1.015 14.026 2.058 161 1HG GLN 37 2HG GLN 37 -1.725 15.617 0.688 162 2HG GLN 37 1HG GLN 37 -2.230 14.436 -0.518 163 1HE2 GLN 37 1HE2 GLN 37 -3.303 15.239 2.771 164 2HE2 GLN 37 2HE2 GLN 37 -4.969 15.446 2.362 165 H VAL 38 HN VAL 38 1.335 13.333 0.362 166 HA VAL 38 HA VAL 38 2.796 11.191 1.405 167 HB VAL 38 HB VAL 38 3.816 12.942 0.053 168 1HG1 VAL 38 1HG1 VAL 38 4.022 15.159 0.655 169 2HG1 VAL 38 2HG1 VAL 38 3.798 14.824 2.372 170 3HG1 VAL 38 3HG1 VAL 38 2.421 14.756 1.271 171 1HG2 VAL 38 1HG2 VAL 38 5.894 13.093 1.166 172 2HG2 VAL 38 2HG2 VAL 38 5.157 11.598 1.743 173 3HG2 VAL 38 3HG2 VAL 38 5.133 13.041 2.757 174 H GLY 39 HN GLY 39 2.814 10.400 3.430 175 1HA GLY 39 2HA GLY 39 3.614 10.929 5.698 176 2HA GLY 39 1HA GLY 39 2.562 12.328 5.658 177 H GLN 40 HN GLN 40 0.522 10.395 4.310 178 HA GLN 40 HA GLN 40 -0.724 9.709 6.773 179 1HB GLN 40 2HB GLN 40 -2.629 9.216 5.486 180 2HB GLN 40 1HB GLN 40 -1.926 10.678 4.851 181 1HG GLN 40 2HG GLN 40 -0.871 9.362 3.100 182 2HG GLN 40 1HG GLN 40 -1.680 7.929 3.715 183 1HE2 GLN 40 1HE2 GLN 40 -2.873 7.548 1.873 184 2HE2 GLN 40 2HE2 GLN 40 -4.163 8.576 1.359 185 H THR 41 HN THR 41 -1.984 7.509 6.695 186 HA THR 41 HA THR 41 -0.012 5.419 6.055 187 HB THR 41 HB THR 41 -1.808 5.654 8.467 188 HG1 THR 41 1HG THR 41 0.206 5.391 9.533 189 1HG2 THR 41 1HG2 THR 41 -0.465 3.218 7.365 190 2HG2 THR 41 2HG2 THR 41 -2.063 3.386 8.089 191 3HG2 THR 41 3HG2 THR 41 -0.625 3.432 9.109 192 H VAL 42 HN VAL 42 -0.652 4.036 4.624 193 HA VAL 42 HA VAL 42 -3.367 3.052 4.657 194 HB VAL 42 HB VAL 42 -2.188 3.916 2.034 195 1HG1 VAL 42 1HG1 VAL 42 -4.984 3.216 2.888 196 2HG1 VAL 42 2HG1 VAL 42 -3.884 2.187 1.984 197 3HG1 VAL 42 3HG1 VAL 42 -4.489 3.671 1.259 198 1HG2 VAL 42 1HG2 VAL 42 -3.867 5.780 2.139 199 2HG2 VAL 42 2HG2 VAL 42 -2.480 5.955 3.214 200 3HG2 VAL 42 3HG2 VAL 42 -4.035 5.425 3.858 201 H GLU 43 HN GLU 43 -3.374 0.960 4.511 202 HA GLU 43 HA GLU 43 -0.900 -0.412 4.193 203 1HB GLU 43 2HB GLU 43 -2.160 -2.405 4.860 204 2HB GLU 43 1HB GLU 43 -2.485 -1.053 5.933 205 1HG GLU 43 2HG GLU 43 -4.569 -0.619 4.712 206 2HG GLU 43 1HG GLU 43 -4.242 -2.014 3.687 207 H LEU 44 HN LEU 44 -0.080 -1.459 2.436 208 HA LEU 44 HA LEU 44 -1.505 -1.361 0.026 209 1HB LEU 44 2HB LEU 44 0.351 -2.739 -0.895 210 2HB LEU 44 1HB LEU 44 0.789 -1.206 -0.234 211 HG LEU 44 HG LEU 44 2.303 -3.239 0.156 212 1HD1 LEU 44 1HD1 LEU 44 3.300 -2.095 1.792 213 2HD1 LEU 44 2HD1 LEU 44 1.822 -1.946 2.743 214 3HD1 LEU 44 3HD1 LEU 44 2.099 -0.877 1.369 215 1HD2 LEU 44 1HD2 LEU 44 0.398 -4.653 0.981 216 2HD2 LEU 44 2HD2 LEU 44 0.457 -3.692 2.456 217 3HD2 LEU 44 3HD2 LEU 44 1.854 -4.647 1.971 218 H LEU 45 HN LEU 45 -2.211 -2.903 -1.303 219 HA LEU 45 HA LEU 45 -3.592 -5.062 0.026 220 1HB LEU 45 2HB LEU 45 -3.653 -4.791 -2.940 221 2HB LEU 45 1HB LEU 45 -4.936 -5.231 -1.838 222 HG LEU 45 HG LEU 45 -3.921 -2.404 -1.921 223 1HD1 LEU 45 1HD1 LEU 45 -4.544 -2.315 -4.085 224 2HD1 LEU 45 2HD1 LEU 45 -6.177 -2.313 -3.431 225 3HD1 LEU 45 3HD1 LEU 45 -5.450 -3.821 -3.987 226 1HD2 LEU 45 1HD2 LEU 45 -6.660 -3.471 -1.344 227 2HD2 LEU 45 2HD2 LEU 45 -6.028 -1.854 -1.045 228 3HD2 LEU 45 3HD2 LEU 45 -5.431 -3.223 -0.104 229 H GLU 46 HN GLU 46 -1.464 -4.926 -2.868 230 HA GLU 46 HA GLU 46 -0.545 -7.608 -2.170 231 1HB GLU 46 2HB GLU 46 -0.433 -8.140 -4.481 232 2HB GLU 46 1HB GLU 46 -2.012 -7.437 -4.209 233 1HG GLU 46 2HG GLU 46 -0.897 -5.239 -4.981 234 2HG GLU 46 1HG GLU 46 0.346 -6.296 -5.644 235 H ARG 47 HN ARG 47 1.466 -7.646 -4.180 236 HA ARG 47 HA ARG 47 3.286 -5.480 -3.420 237 1HB ARG 47 2HB ARG 47 3.522 -8.338 -2.757 238 2HB ARG 47 1HB ARG 47 4.979 -7.618 -3.426 239 1HG ARG 47 2HG ARG 47 4.697 -5.797 -1.676 240 2HG ARG 47 1HG ARG 47 3.505 -6.860 -0.925 241 1HD ARG 47 2HD ARG 47 5.126 -8.557 -0.558 242 2HD ARG 47 1HD ARG 47 6.310 -7.735 -1.573 243 HE ARG 47 HE ARG 47 5.845 -5.929 0.370 244 1HH1 ARG 47 1HH1 ARG 47 6.652 -9.332 0.477 245 2HH1 ARG 47 2HH1 ARG 47 7.487 -9.208 1.988 246 1HH2 ARG 47 1HH2 ARG 47 6.944 -5.777 2.354 247 2HH2 ARG 47 2HH2 ARG 47 7.653 -7.194 3.053 248 HA PRO 48 HA PRO 48 4.810 -5.489 -7.587 249 1HB PRO 48 2HB PRO 48 7.527 -5.678 -7.325 250 2HB PRO 48 1HB PRO 48 6.610 -4.193 -7.054 251 1HG PRO 48 2HG PRO 48 7.643 -6.177 -5.066 252 2HG PRO 48 1HG PRO 48 7.649 -4.404 -4.988 253 1HD PRO 48 2HD PRO 48 5.847 -5.860 -3.643 254 2HD PRO 48 1HD PRO 48 5.421 -4.298 -4.368 255 H SER 49 HN SER 49 3.783 -7.771 -7.633 256 HA SER 49 HA SER 49 5.666 -9.953 -7.702 257 1HB SER 49 2HB SER 49 3.197 -10.043 -6.923 258 2HB SER 49 1HB SER 49 2.834 -10.152 -8.646 259 HG SER 49 HG SER 49 4.100 -12.022 -8.744 260 H GLU 50 HN GLU 50 3.610 -8.288 -9.987 261 HA GLU 50 HA GLU 50 4.915 -9.589 -12.216 262 1HB GLU 50 2HB GLU 50 3.116 -8.762 -13.520 263 2HB GLU 50 1HB GLU 50 2.443 -9.412 -12.048 264 1HG GLU 50 2HG GLU 50 2.460 -7.062 -11.164 265 2HG GLU 50 1HG GLU 50 2.791 -6.554 -12.819 266 H ARG 51 HN ARG 51 4.416 -6.459 -10.778 267 HA ARG 51 HA ARG 51 6.462 -5.334 -12.575 268 1HB ARG 51 2HB ARG 51 5.338 -3.084 -11.697 269 2HB ARG 51 1HB ARG 51 4.752 -3.930 -13.119 270 1HG ARG 51 2HG ARG 51 3.141 -5.103 -11.496 271 2HG ARG 51 1HG ARG 51 3.570 -3.817 -10.378 272 1HD ARG 51 2HD ARG 51 1.555 -3.233 -11.587 273 2HD ARG 51 1HD ARG 51 2.873 -2.155 -12.045 274 HE ARG 51 HE ARG 51 2.931 -4.160 -13.904 275 1HH1 ARG 51 1HH1 ARG 51 0.515 -1.874 -12.819 276 2HH1 ARG 51 2HH1 ARG 51 -0.285 -1.810 -14.352 277 1HH2 ARG 51 1HH2 ARG 51 1.873 -4.069 -15.914 278 2HH2 ARG 51 2HH2 ARG 51 0.483 -3.054 -16.106 279 HA PRO 52 HA PRO 52 8.545 -4.653 -8.666 280 1HB PRO 52 2HB PRO 52 10.997 -4.307 -9.623 281 2HB PRO 52 1HB PRO 52 10.189 -5.870 -9.796 282 1HG PRO 52 2HG PRO 52 10.711 -3.780 -11.832 283 2HG PRO 52 1HG PRO 52 10.547 -5.532 -12.034 284 1HD PRO 52 2HD PRO 52 8.543 -3.509 -12.435 285 2HD PRO 52 1HD PRO 52 8.378 -5.265 -12.618 286 H GLY 53 HN GLY 53 8.134 -2.807 -7.625 287 1HA GLY 53 2HA GLY 53 9.305 -0.664 -7.154 288 2HA GLY 53 1HA GLY 53 9.086 -0.299 -8.853 289 H TRP 54 HN TRP 54 6.353 -1.800 -8.105 290 HA TRP 54 HA TRP 54 4.963 0.662 -7.512 291 1HB TRP 54 2HB TRP 54 3.270 -0.037 -8.856 292 2HB TRP 54 1HB TRP 54 4.618 -0.832 -9.621 293 HD1 TRP 54 1HD TRP 54 4.763 -3.321 -7.523 294 HE1 TRP 54 1HE TRP 54 2.930 -5.148 -7.679 295 HE3 TRP 54 3HE TRP 54 1.225 -0.646 -9.964 296 HZ2 TRP 54 2HZ TRP 54 0.317 -5.394 -8.748 297 HZ3 TRP 54 3HZ TRP 54 -0.922 -1.726 -10.547 298 HH2 TRP 54 2HH TRP 54 -1.365 -4.051 -9.939 299 H CYS 55 HN CYS 55 2.866 0.503 -6.303 300 HA CYS 55 HA CYS 55 2.447 -1.772 -4.633 301 1HB CYS 55 2HB CYS 55 4.180 0.137 -3.571 302 2HB CYS 55 1HB CYS 55 2.664 0.378 -2.741 303 HG CYS 55 HG CYS 55 3.936 -1.378 -1.389 304 H LEU 56 HN LEU 56 0.581 -1.663 -3.369 305 HA LEU 56 HA LEU 56 -1.421 0.208 -4.415 306 1HB LEU 56 2HB LEU 56 -1.497 -2.571 -3.308 307 2HB LEU 56 1HB LEU 56 -2.935 -1.588 -3.360 308 HG LEU 56 HG LEU 56 -2.995 -1.557 -5.700 309 1HD1 LEU 56 1HD1 LEU 56 -0.624 -1.071 -6.114 310 2HD1 LEU 56 2HD1 LEU 56 -1.178 -2.407 -7.124 311 3HD1 LEU 56 3HD1 LEU 56 -0.204 -2.731 -5.690 312 1HD2 LEU 56 1HD2 LEU 56 -3.835 -3.618 -5.398 313 2HD2 LEU 56 2HD2 LEU 56 -2.484 -4.133 -4.389 314 3HD2 LEU 56 3HD2 LEU 56 -2.333 -4.151 -6.144 315 H VAL 57 HN VAL 57 -3.184 0.894 -2.829 316 HA VAL 57 HA VAL 57 -2.240 0.798 -0.047 317 HB VAL 57 HB VAL 57 -2.981 3.295 0.082 318 1HG1 VAL 57 1HG1 VAL 57 -0.461 1.987 -0.441 319 2HG1 VAL 57 2HG1 VAL 57 -0.854 3.275 0.696 320 3HG1 VAL 57 3HG1 VAL 57 -0.461 3.667 -0.977 321 1HG2 VAL 57 1HG2 VAL 57 -3.685 3.262 -2.362 322 2HG2 VAL 57 2HG2 VAL 57 -1.961 3.311 -2.732 323 3HG2 VAL 57 3HG2 VAL 57 -2.704 4.626 -1.822 324 H ARG 58 HN ARG 58 -3.806 0.160 1.234 325 HA ARG 58 HA ARG 58 -6.583 0.753 0.530 326 1HB ARG 58 2HB ARG 58 -6.932 -1.454 0.590 327 2HB ARG 58 1HB ARG 58 -5.298 -1.738 1.160 328 1HG ARG 58 2HG ARG 58 -6.688 -2.736 2.750 329 2HG ARG 58 1HG ARG 58 -6.197 -1.225 3.488 330 1HD ARG 58 2HD ARG 58 -8.747 -2.144 3.311 331 2HD ARG 58 1HD ARG 58 -8.281 -0.486 3.614 332 HE ARG 58 HE ARG 58 -8.467 -0.165 1.128 333 1HH1 ARG 58 1HH1 ARG 58 -10.369 -2.663 2.779 334 2HH1 ARG 58 2HH1 ARG 58 -11.606 -2.663 1.578 335 1HH2 ARG 58 1HH2 ARG 58 -10.155 -0.224 -0.406 336 2HH2 ARG 58 2HH2 ARG 58 -11.490 -1.297 -0.206 337 H THR 59 HN THR 59 -8.024 1.447 2.208 338 HA THR 59 HA THR 59 -6.677 2.016 4.765 339 HB THR 59 HB THR 59 -6.880 3.965 3.254 340 HG1 THR 59 1HG THR 59 -6.731 4.255 5.497 341 1HG2 THR 59 1HG2 THR 59 -9.821 3.808 3.856 342 2HG2 THR 59 2HG2 THR 59 -9.080 3.522 2.281 343 3HG2 THR 59 3HG2 THR 59 -8.988 5.120 3.022 344 H THR 60 HN THR 60 -7.761 1.611 6.568 345 HA THR 60 HA THR 60 -10.506 0.587 6.318 346 HB THR 60 HB THR 60 -9.005 -1.212 6.864 347 HG1 THR 60 1HG THR 60 -10.086 -1.940 8.581 348 1HG2 THR 60 1HG2 THR 60 -8.075 -0.695 9.429 349 2HG2 THR 60 2HG2 THR 60 -7.683 0.749 8.496 350 3HG2 THR 60 3HG2 THR 60 -7.121 -0.832 7.953 351 H GLU 61 HN GLU 61 -8.577 3.023 7.709 352 HA GLU 61 HA GLU 61 -10.267 3.394 10.023 353 1HB GLU 61 2HB GLU 61 -8.839 5.450 10.365 354 2HB GLU 61 1HB GLU 61 -7.980 3.916 10.392 355 1HG GLU 61 2HG GLU 61 -6.791 4.398 8.553 356 2HG GLU 61 1HG GLU 61 -8.141 5.209 7.762 357 H ARG 62 HN ARG 62 -11.014 3.809 7.009 358 HA ARG 62 HA ARG 62 -12.657 6.141 7.494 359 1HB ARG 62 2HB ARG 62 -11.014 7.172 6.192 360 2HB ARG 62 1HB ARG 62 -10.673 5.712 5.283 361 1HG ARG 62 2HG ARG 62 -12.254 6.132 3.746 362 2HG ARG 62 1HG ARG 62 -13.354 6.864 4.916 363 1HD ARG 62 2HD ARG 62 -10.861 8.346 4.343 364 2HD ARG 62 1HD ARG 62 -12.038 8.266 3.033 365 HE ARG 62 HE ARG 62 -13.328 9.001 5.428 366 1HH1 ARG 62 1HH1 ARG 62 -11.139 10.302 3.029 367 2HH1 ARG 62 2HH1 ARG 62 -11.633 11.940 3.294 368 1HH2 ARG 62 1HH2 ARG 62 -13.971 11.155 5.769 369 2HH2 ARG 62 2HH2 ARG 62 -13.237 12.424 4.846 370 H SER 63 HN SER 63 -14.460 4.894 7.710 371 HA SER 63 HA SER 63 -15.030 2.743 5.887 372 1HB SER 63 2HB SER 63 -17.078 3.822 7.783 373 2HB SER 63 1HB SER 63 -16.749 2.152 7.320 374 HG SER 63 HG SER 63 -14.698 2.458 8.491 375 HA PRO 64 HA PRO 64 -16.284 1.696 4.565 376 1HB PRO 64 2HB PRO 64 -16.483 1.477 1.892 377 2HB PRO 64 1HB PRO 64 -17.911 1.542 2.933 378 1HG PRO 64 2HG PRO 64 -16.645 3.720 1.314 379 2HG PRO 64 1HG PRO 64 -18.361 3.319 1.504 380 1HD PRO 64 2HD PRO 64 -17.133 5.332 2.873 381 2HD PRO 64 1HD PRO 64 -18.532 4.438 3.498 382 HA PRO 65 HA PRO 65 -11.890 1.784 3.843 383 1HB PRO 65 2HB PRO 65 -12.379 -0.625 2.154 384 2HB PRO 65 1HB PRO 65 -11.202 -0.376 3.449 385 1HG PRO 65 2HG PRO 65 -13.409 -1.810 3.873 386 2HG PRO 65 1HG PRO 65 -12.767 -0.729 5.123 387 1HD PRO 65 2HD PRO 65 -15.142 -0.392 3.364 388 2HD PRO 65 1HD PRO 65 -14.870 0.186 5.019 389 H GLN 66 HN GLN 66 -10.316 1.958 2.118 390 HA GLN 66 HA GLN 66 -11.394 2.469 -0.511 391 1HB GLN 66 2HB GLN 66 -10.740 4.475 1.374 392 2HB GLN 66 1HB GLN 66 -9.495 4.513 0.138 393 1HG GLN 66 2HG GLN 66 -11.456 4.499 -1.522 394 2HG GLN 66 1HG GLN 66 -12.437 4.949 -0.128 395 1HE2 GLN 66 1HE2 GLN 66 -10.561 6.565 1.188 396 2HE2 GLN 66 2HE2 GLN 66 -10.327 8.000 0.254 397 H GLU 67 HN GLU 67 -10.065 1.638 -2.051 398 HA GLU 67 HA GLU 67 -7.317 1.078 -1.215 399 1HB GLU 67 2HB GLU 67 -7.561 -0.693 -3.207 400 2HB GLU 67 1HB GLU 67 -7.825 -1.063 -1.527 401 1HG GLU 67 2HG GLU 67 -9.784 -1.894 -2.173 402 2HG GLU 67 1HG GLU 67 -10.319 -0.235 -2.379 403 H GLY 68 HN GLY 68 -5.674 1.247 -2.696 404 1HA GLY 68 2HA GLY 68 -6.318 2.584 -5.235 405 2HA GLY 68 1HA GLY 68 -5.444 3.536 -4.064 406 H LEU 69 HN LEU 69 -4.103 3.612 -6.080 407 HA LEU 69 HA LEU 69 -1.956 1.674 -5.792 408 1HB LEU 69 2HB LEU 69 -3.669 2.035 -8.155 409 2HB LEU 69 1HB LEU 69 -1.953 1.875 -8.467 410 HG LEU 69 HG LEU 69 -2.277 -0.150 -6.766 411 1HD1 LEU 69 1HD1 LEU 69 -4.500 -1.192 -7.896 412 2HD1 LEU 69 2HD1 LEU 69 -4.958 0.507 -7.769 413 3HD1 LEU 69 3HD1 LEU 69 -4.471 -0.385 -6.329 414 1HD2 LEU 69 1HD2 LEU 69 -2.822 -0.235 -9.724 415 2HD2 LEU 69 2HD2 LEU 69 -2.384 -1.620 -8.724 416 3HD2 LEU 69 3HD2 LEU 69 -1.240 -0.296 -8.946 417 H VAL 70 HN VAL 70 0.015 2.382 -6.155 418 HA VAL 70 HA VAL 70 0.660 4.777 -7.595 419 HB VAL 70 HB VAL 70 1.890 5.711 -5.498 420 1HG1 VAL 70 1HG1 VAL 70 -0.090 6.682 -6.785 421 2HG1 VAL 70 2HG1 VAL 70 0.177 7.258 -5.139 422 3HG1 VAL 70 3HG1 VAL 70 -1.086 6.070 -5.463 423 1HG2 VAL 70 1HG2 VAL 70 -0.252 4.999 -3.716 424 2HG2 VAL 70 2HG2 VAL 70 1.486 4.817 -3.499 425 3HG2 VAL 70 3HG2 VAL 70 0.564 3.545 -4.292 426 HA PRO 71 HA PRO 71 4.228 2.234 -7.659 427 1HB PRO 71 2HB PRO 71 6.148 4.287 -8.190 428 2HB PRO 71 1HB PRO 71 5.431 3.136 -9.320 429 1HG PRO 71 2HG PRO 71 4.932 5.863 -9.334 430 2HG PRO 71 1HG PRO 71 3.869 4.636 -10.044 431 1HD PRO 71 2HD PRO 71 3.649 6.056 -7.429 432 2HD PRO 71 1HD PRO 71 2.364 5.557 -8.539 433 H SER 72 HN SER 72 6.181 1.714 -6.507 434 HA SER 72 HA SER 72 6.112 2.011 -3.833 435 1HB SER 72 2HB SER 72 7.581 0.437 -5.057 436 2HB SER 72 1HB SER 72 8.659 1.776 -5.449 437 HG SER 72 HG SER 72 9.457 0.783 -3.632 438 H SER 73 HN SER 73 7.348 4.380 -6.088 439 HA SER 73 HA SER 73 8.988 5.905 -4.447 440 1HB SER 73 2HB SER 73 7.884 7.843 -5.948 441 2HB SER 73 1HB SER 73 9.076 6.710 -6.587 442 HG SER 73 HG SER 73 6.280 6.268 -6.705 443 H THR 74 HN THR 74 5.462 5.858 -4.713 444 HA THR 74 HA THR 74 5.263 7.904 -2.613 445 HB THR 74 HB THR 74 3.408 8.589 -3.647 446 HG1 THR 74 1HG THR 74 1.632 7.479 -3.495 447 1HG2 THR 74 1HG2 THR 74 2.857 7.883 -5.849 448 2HG2 THR 74 2HG2 THR 74 3.767 6.391 -5.612 449 3HG2 THR 74 3HG2 THR 74 4.613 7.934 -5.669 450 H LEU 75 HN LEU 75 6.022 4.971 -2.307 451 HA LEU 75 HA LEU 75 4.199 4.436 -0.120 452 1HB LEU 75 2HB LEU 75 4.969 2.505 -2.295 453 2HB LEU 75 1HB LEU 75 4.238 2.020 -0.783 454 HG LEU 75 HG LEU 75 2.672 4.107 -1.997 455 1HD1 LEU 75 1HD1 LEU 75 1.957 2.195 -3.814 456 2HD1 LEU 75 2HD1 LEU 75 3.715 2.071 -3.818 457 3HD1 LEU 75 3HD1 LEU 75 2.941 3.615 -4.162 458 1HD2 LEU 75 1HD2 LEU 75 0.989 2.108 -1.985 459 2HD2 LEU 75 2HD2 LEU 75 1.538 2.816 -0.466 460 3HD2 LEU 75 3HD2 LEU 75 2.247 1.310 -1.041 461 H CYS 76 HN CYS 76 5.100 3.320 1.561 462 HA CYS 76 HA CYS 76 7.711 3.803 2.254 463 1HB CYS 76 2HB CYS 76 5.773 3.031 3.736 464 2HB CYS 76 1HB CYS 76 6.227 1.393 3.281 465 HG CYS 76 HG CYS 76 7.550 3.013 5.404 466 H ILE 77 HN ILE 77 9.638 2.925 1.868 467 HA ILE 77 HA ILE 77 9.729 0.331 0.467 468 HB ILE 77 HB ILE 77 11.747 1.117 -0.694 469 1HG1 ILE 77 2HG1 ILE 77 11.122 3.857 0.417 470 2HG1 ILE 77 1HG1 ILE 77 12.353 2.801 1.102 471 1HG2 ILE 77 1HG2 ILE 77 9.193 1.637 -1.342 472 2HG2 ILE 77 2HG2 ILE 77 10.563 2.057 -2.369 473 3HG2 ILE 77 3HG2 ILE 77 9.840 3.276 -1.320 474 1HD1 ILE 77 1HD1 ILE 77 13.825 3.367 -0.457 475 2HD1 ILE 77 2HD1 ILE 77 12.709 4.659 -0.898 476 3HD1 ILE 77 3HD1 ILE 77 12.661 3.120 -1.758 477 H SER 78 HN SER 78 12.244 -0.383 0.522 478 HA SER 78 HA SER 78 12.833 -0.662 3.371 479 1HB SER 78 2HB SER 78 13.891 -2.166 0.964 480 2HB SER 78 1HB SER 78 14.340 -2.501 2.637 481 HG SER 78 HG SER 78 12.587 -3.626 2.801 482 H HIS 79 HN HIS 79 14.375 0.305 0.336 483 HA HIS 79 HA HIS 79 16.184 1.605 -0.113 484 1HB HIS 79 2HB HIS 79 15.023 3.146 1.497 485 2HB HIS 79 1HB HIS 79 16.032 2.479 2.777 486 HD1 HIS 79 1HD HIS 79 17.160 4.765 3.194 487 HD2 HIS 79 2HD HIS 79 17.685 3.293 -0.656 488 HE1 HIS 79 1HE HIS 79 18.962 6.188 2.170 489 HE2 HIS 79 2HE HIS 79 19.204 5.334 -0.188 490 H SER 80 HN SER 80 18.366 1.336 -0.184 491 HA SER 80 HA SER 80 19.478 -0.665 1.657 492 1HB SER 80 2HB SER 80 19.513 -1.181 -0.785 493 2HB SER 80 1HB SER 80 20.557 0.218 -1.030 494 HG SER 80 HG SER 80 21.126 -2.079 0.538 Start of MODEL 9 1 H SER 14 HN SER 14 -10.110 -12.000 5.624 2 HA SER 14 HA SER 14 -9.066 -10.736 4.048 3 1HB SER 14 2HB SER 14 -8.863 -8.643 6.224 4 2HB SER 14 1HB SER 14 -8.775 -8.369 4.484 5 HG SER 14 HG SER 14 -10.856 -8.180 4.551 6 H GLY 15 HN GLY 15 -7.234 -12.003 3.816 7 1HA GLY 15 2HA GLY 15 -4.888 -11.221 5.425 8 2HA GLY 15 1HA GLY 15 -5.078 -12.763 4.603 9 H GLY 16 HN GLY 16 -2.853 -10.936 4.410 10 1HA GLY 16 2HA GLY 16 -1.428 -10.594 2.569 11 2HA GLY 16 1HA GLY 16 -2.822 -10.681 1.503 12 H CYS 17 HN CYS 17 -2.457 -8.648 4.363 13 HA CYS 17 HA CYS 17 -2.279 -6.285 2.648 14 1HB CYS 17 2HB CYS 17 -3.829 -5.179 4.428 15 2HB CYS 17 1HB CYS 17 -4.540 -6.136 3.137 16 HG CYS 17 HG CYS 17 -5.635 -6.800 5.414 17 H GLU 18 HN GLU 18 -0.830 -4.846 3.311 18 HA GLU 18 HA GLU 18 0.174 -5.044 6.067 19 1HB GLU 18 2HB GLU 18 1.793 -6.112 4.597 20 2HB GLU 18 1HB GLU 18 1.831 -4.694 3.563 21 1HG GLU 18 2HG GLU 18 3.119 -3.502 5.013 22 2HG GLU 18 1HG GLU 18 2.502 -4.348 6.431 23 H LEU 19 HN LEU 19 0.882 -3.120 6.984 24 HA LEU 19 HA LEU 19 -0.435 -0.785 5.951 25 1HB LEU 19 2HB LEU 19 1.478 -0.467 8.169 26 2HB LEU 19 1HB LEU 19 -0.112 0.223 7.956 27 HG LEU 19 HG LEU 19 0.548 -2.542 8.941 28 1HD1 LEU 19 1HD1 LEU 19 -0.320 -1.859 10.990 29 2HD1 LEU 19 2HD1 LEU 19 -1.129 -0.459 10.286 30 3HD1 LEU 19 3HD1 LEU 19 0.627 -0.472 10.452 31 1HD2 LEU 19 1HD2 LEU 19 -1.325 -3.006 7.677 32 2HD2 LEU 19 2HD2 LEU 19 -2.007 -1.395 7.907 33 3HD2 LEU 19 3HD2 LEU 19 -2.042 -2.564 9.227 34 H THR 20 HN THR 20 0.405 0.829 4.831 35 HA THR 20 HA THR 20 3.309 1.102 4.657 36 HB THR 20 HB THR 20 2.531 -0.321 2.754 37 HG1 THR 20 1HG THR 20 3.796 0.724 1.309 38 1HG2 THR 20 1HG2 THR 20 0.963 2.127 2.044 39 2HG2 THR 20 2HG2 THR 20 0.426 0.450 2.120 40 3HG2 THR 20 3HG2 THR 20 1.503 0.973 0.827 41 H VAL 21 HN VAL 21 4.043 3.164 4.140 42 HA VAL 21 HA VAL 21 1.996 5.261 4.355 43 HB VAL 21 HB VAL 21 4.020 6.700 5.008 44 1HG1 VAL 21 1HG1 VAL 21 2.167 5.505 6.481 45 2HG1 VAL 21 2HG1 VAL 21 3.491 6.421 7.202 46 3HG1 VAL 21 3HG1 VAL 21 3.580 4.661 7.112 47 1HG2 VAL 21 1HG2 VAL 21 6.017 5.762 5.594 48 2HG2 VAL 21 2HG2 VAL 21 5.549 4.671 4.290 49 3HG2 VAL 21 3HG2 VAL 21 5.297 4.197 5.970 50 H VAL 22 HN VAL 22 1.994 6.943 2.878 51 HA VAL 22 HA VAL 22 3.415 6.382 0.439 52 HB VAL 22 HB VAL 22 2.080 8.565 -0.251 53 1HG1 VAL 22 1HG1 VAL 22 1.340 5.716 -0.121 54 2HG1 VAL 22 2HG1 VAL 22 1.630 6.752 -1.519 55 3HG1 VAL 22 3HG1 VAL 22 0.106 6.864 -0.639 56 1HG2 VAL 22 1HG2 VAL 22 1.226 8.749 2.169 57 2HG2 VAL 22 2HG2 VAL 22 0.141 7.434 1.715 58 3HG2 VAL 22 3HG2 VAL 22 0.080 8.968 0.847 59 H LEU 23 HN LEU 23 5.156 7.373 -0.234 60 HA LEU 23 HA LEU 23 6.417 9.331 1.383 61 1HB LEU 23 2HB LEU 23 7.446 8.743 -1.341 62 2HB LEU 23 1HB LEU 23 8.325 8.974 0.156 63 HG LEU 23 HG LEU 23 6.866 6.492 -0.739 64 1HD1 LEU 23 1HD1 LEU 23 9.679 7.373 -0.612 65 2HD1 LEU 23 2HD1 LEU 23 8.885 6.249 -1.716 66 3HD1 LEU 23 3HD1 LEU 23 9.349 5.718 -0.100 67 1HD2 LEU 23 1HD2 LEU 23 7.974 5.619 1.460 68 2HD2 LEU 23 2HD2 LEU 23 6.408 6.429 1.517 69 3HD2 LEU 23 3HD2 LEU 23 7.872 7.310 1.950 70 H GLN 24 HN GLN 24 4.441 9.471 -1.478 71 HA GLN 24 HA GLN 24 4.707 12.364 -1.431 72 1HB GLN 24 2HB GLN 24 5.240 12.580 -3.696 73 2HB GLN 24 1HB GLN 24 6.256 11.275 -3.127 74 1HG GLN 24 2HG GLN 24 5.248 9.730 -4.374 75 2HG GLN 24 1HG GLN 24 3.679 10.525 -4.353 76 1HE2 GLN 24 1HE2 GLN 24 3.268 10.579 -6.493 77 2HE2 GLN 24 2HE2 GLN 24 4.231 11.427 -7.649 78 H ASP 25 HN ASP 25 2.882 13.487 -2.262 79 HA ASP 25 HA ASP 25 0.424 12.131 -1.838 80 1HB ASP 25 2HB ASP 25 0.019 14.564 -3.363 81 2HB ASP 25 1HB ASP 25 -0.512 14.162 -1.752 82 H PHE 26 HN PHE 26 -1.169 11.607 -3.260 83 HA PHE 26 HA PHE 26 -0.624 11.693 -6.116 84 1HB PHE 26 2HB PHE 26 0.287 9.532 -5.266 85 2HB PHE 26 1HB PHE 26 -1.330 9.095 -4.765 86 HD1 PHE 26 1HD PHE 26 0.693 9.968 -7.729 87 HD2 PHE 26 2HD PHE 26 -2.878 8.181 -6.257 88 HE1 PHE 26 1HE PHE 26 0.211 9.095 -9.977 89 HE2 PHE 26 2HE PHE 26 -3.364 7.306 -8.501 90 HZ PHE 26 HZ PHE 26 -1.822 7.760 -10.365 91 H SER 27 HN SER 27 -2.461 11.288 -7.413 92 HA SER 27 HA SER 27 -5.003 11.393 -5.990 93 1HB SER 27 2HB SER 27 -5.559 12.720 -8.243 94 2HB SER 27 1HB SER 27 -4.954 13.528 -6.808 95 HG SER 27 HG SER 27 -3.098 13.880 -7.778 96 H ALA 28 HN ALA 28 -6.552 10.078 -6.815 97 HA ALA 28 HA ALA 28 -5.984 7.804 -8.138 98 1HB ALA 28 1HB ALA 28 -8.684 8.994 -8.471 99 2HB ALA 28 2HB ALA 28 -8.094 8.603 -6.861 100 3HB ALA 28 3HB ALA 28 -8.234 7.339 -8.079 101 H ALA 29 HN ALA 29 -7.532 7.181 -10.106 102 HA ALA 29 HA ALA 29 -7.836 8.847 -12.301 103 1HB ALA 29 1HB ALA 29 -5.486 7.198 -12.981 104 2HB ALA 29 2HB ALA 29 -5.175 8.572 -11.919 105 3HB ALA 29 3HB ALA 29 -5.917 8.828 -13.498 106 H HIS 30 HN HIS 30 -7.039 5.644 -11.110 107 HA HIS 30 HA HIS 30 -8.597 4.444 -13.275 108 1HB HIS 30 2HB HIS 30 -7.101 2.765 -11.307 109 2HB HIS 30 1HB HIS 30 -7.464 2.451 -12.997 110 HD1 HIS 30 1HD HIS 30 -4.595 2.310 -11.569 111 HD2 HIS 30 2HD HIS 30 -6.005 5.338 -14.040 112 HE1 HIS 30 1HE HIS 30 -2.544 3.428 -12.498 113 HE2 HIS 30 2HE HIS 30 -3.423 5.201 -14.059 114 H SER 31 HN SER 31 -9.661 2.318 -12.466 115 HA SER 31 HA SER 31 -11.955 2.969 -11.095 116 1HB SER 31 2HB SER 31 -10.669 0.266 -11.499 117 2HB SER 31 1HB SER 31 -12.301 0.491 -10.871 118 HG SER 31 HG SER 31 -12.979 1.122 -12.799 119 H SER 32 HN SER 32 -9.314 0.953 -9.799 120 HA SER 32 HA SER 32 -10.370 1.370 -7.117 121 1HB SER 32 2HB SER 32 -8.248 -0.459 -8.236 122 2HB SER 32 1HB SER 32 -8.545 -0.296 -6.505 123 HG SER 32 HG SER 32 -10.213 -1.354 -8.509 124 H GLU 33 HN GLU 33 -9.159 3.663 -8.413 125 HA GLU 33 HA GLU 33 -6.659 3.970 -6.933 126 1HB GLU 33 2HB GLU 33 -7.824 5.184 -9.375 127 2HB GLU 33 1HB GLU 33 -6.760 6.173 -8.405 128 1HG GLU 33 2HG GLU 33 -5.482 3.736 -8.636 129 2HG GLU 33 1HG GLU 33 -6.144 4.092 -10.224 130 H LEU 34 HN LEU 34 -6.280 5.931 -5.782 131 HA LEU 34 HA LEU 34 -8.481 7.672 -5.223 132 1HB LEU 34 2HB LEU 34 -7.946 7.260 -2.674 133 2HB LEU 34 1HB LEU 34 -9.209 6.419 -3.540 134 HG LEU 34 HG LEU 34 -7.332 4.597 -3.912 135 1HD1 LEU 34 1HD1 LEU 34 -5.802 4.453 -2.052 136 2HD1 LEU 34 2HD1 LEU 34 -6.442 5.942 -1.359 137 3HD1 LEU 34 3HD1 LEU 34 -5.555 5.987 -2.882 138 1HD2 LEU 34 1HD2 LEU 34 -8.019 3.726 -1.585 139 2HD2 LEU 34 2HD2 LEU 34 -9.291 4.022 -2.772 140 3HD2 LEU 34 3HD2 LEU 34 -8.993 5.190 -1.490 141 H SER 35 HN SER 35 -7.857 9.421 -3.742 142 HA SER 35 HA SER 35 -5.220 10.321 -4.393 143 1HB SER 35 2HB SER 35 -6.228 12.381 -3.027 144 2HB SER 35 1HB SER 35 -6.623 12.101 -4.721 145 HG SER 35 HG SER 35 -8.417 12.454 -3.142 146 H ILE 36 HN ILE 36 -3.608 10.471 -3.104 147 HA ILE 36 HA ILE 36 -3.981 10.093 -0.216 148 HB ILE 36 HB ILE 36 -1.815 8.828 -0.198 149 1HG1 ILE 36 2HG1 ILE 36 -1.712 7.702 -2.717 150 2HG1 ILE 36 1HG1 ILE 36 -2.044 9.388 -3.059 151 1HG2 ILE 36 1HG2 ILE 36 -2.934 6.869 -0.272 152 2HG2 ILE 36 2HG2 ILE 36 -3.596 7.184 -1.877 153 3HG2 ILE 36 3HG2 ILE 36 -4.335 7.925 -0.457 154 1HD1 ILE 36 1HD1 ILE 36 -0.003 9.300 -1.115 155 2HD1 ILE 36 2HD1 ILE 36 0.082 9.862 -2.781 156 3HD1 ILE 36 3HD1 ILE 36 0.413 8.174 -2.405 157 H GLN 37 HN GLN 37 -2.039 10.766 1.002 158 HA GLN 37 HA GLN 37 -0.606 12.964 -0.249 159 1HB GLN 37 2HB GLN 37 -2.351 12.940 2.136 160 2HB GLN 37 1HB GLN 37 -0.868 13.859 2.265 161 1HG GLN 37 2HG GLN 37 -1.698 15.522 1.056 162 2HG GLN 37 1HG GLN 37 -2.194 14.417 -0.223 163 1HE2 GLN 37 1HE2 GLN 37 -4.037 15.811 -0.462 164 2HE2 GLN 37 2HE2 GLN 37 -5.394 15.634 0.593 165 H VAL 38 HN VAL 38 1.418 13.445 0.627 166 HA VAL 38 HA VAL 38 2.958 11.217 1.414 167 HB VAL 38 HB VAL 38 3.943 13.062 0.190 168 1HG1 VAL 38 1HG1 VAL 38 4.079 14.943 2.428 169 2HG1 VAL 38 2HG1 VAL 38 2.464 14.703 1.762 170 3HG1 VAL 38 3HG1 VAL 38 3.781 15.229 0.713 171 1HG2 VAL 38 1HG2 VAL 38 5.246 13.147 2.897 172 2HG2 VAL 38 2HG2 VAL 38 6.004 13.236 1.307 173 3HG2 VAL 38 3HG2 VAL 38 5.317 11.713 1.871 174 H GLY 39 HN GLY 39 3.084 10.296 3.386 175 1HA GLY 39 2HA GLY 39 3.863 10.644 5.672 176 2HA GLY 39 1HA GLY 39 2.839 12.059 5.745 177 H GLN 40 HN GLN 40 0.653 10.457 4.382 178 HA GLN 40 HA GLN 40 -0.572 9.599 6.769 179 1HB GLN 40 2HB GLN 40 -2.482 9.199 5.489 180 2HB GLN 40 1HB GLN 40 -1.731 10.622 4.826 181 1HG GLN 40 2HG GLN 40 -0.749 9.266 3.074 182 2HG GLN 40 1HG GLN 40 -1.554 7.848 3.732 183 1HE2 GLN 40 1HE2 GLN 40 -2.851 7.397 2.012 184 2HE2 GLN 40 2HE2 GLN 40 -4.119 8.433 1.464 185 H THR 41 HN THR 41 -1.826 7.452 6.728 186 HA THR 41 HA THR 41 0.030 5.308 5.950 187 HB THR 41 HB THR 41 -1.624 5.509 8.468 188 HG1 THR 41 1HG THR 41 0.381 5.353 9.458 189 1HG2 THR 41 1HG2 THR 41 -1.878 3.240 7.955 190 2HG2 THR 41 2HG2 THR 41 -0.472 3.280 9.019 191 3HG2 THR 41 3HG2 THR 41 -0.256 3.115 7.277 192 H VAL 42 HN VAL 42 -0.731 3.821 4.713 193 HA VAL 42 HA VAL 42 -3.496 3.007 4.811 194 HB VAL 42 HB VAL 42 -2.342 3.905 2.178 195 1HG1 VAL 42 1HG1 VAL 42 -5.126 3.104 2.980 196 2HG1 VAL 42 2HG1 VAL 42 -3.989 2.133 2.059 197 3HG1 VAL 42 3HG1 VAL 42 -4.624 3.622 1.371 198 1HG2 VAL 42 1HG2 VAL 42 -4.038 5.734 2.323 199 2HG2 VAL 42 2HG2 VAL 42 -2.694 5.887 3.455 200 3HG2 VAL 42 3HG2 VAL 42 -4.261 5.304 4.018 201 H GLU 43 HN GLU 43 -3.583 0.890 4.648 202 HA GLU 43 HA GLU 43 -1.154 -0.524 4.293 203 1HB GLU 43 2HB GLU 43 -2.418 -2.503 4.934 204 2HB GLU 43 1HB GLU 43 -2.747 -1.161 6.020 205 1HG GLU 43 2HG GLU 43 -4.819 -0.702 4.754 206 2HG GLU 43 1HG GLU 43 -4.504 -2.131 3.775 207 H LEU 44 HN LEU 44 -0.322 -1.344 2.543 208 HA LEU 44 HA LEU 44 -1.557 -1.284 0.060 209 1HB LEU 44 2HB LEU 44 0.326 -2.726 -0.675 210 2HB LEU 44 1HB LEU 44 0.771 -1.227 0.075 211 HG LEU 44 HG LEU 44 1.004 -2.710 2.232 212 1HD1 LEU 44 1HD1 LEU 44 0.913 -4.676 -0.009 213 2HD1 LEU 44 2HD1 LEU 44 0.222 -4.784 1.610 214 3HD1 LEU 44 3HD1 LEU 44 1.960 -4.972 1.379 215 1HD2 LEU 44 1HD2 LEU 44 2.803 -1.491 0.996 216 2HD2 LEU 44 2HD2 LEU 44 3.040 -2.946 0.027 217 3HD2 LEU 44 3HD2 LEU 44 3.328 -2.989 1.767 218 H LEU 45 HN LEU 45 -2.212 -2.777 -1.324 219 HA LEU 45 HA LEU 45 -3.736 -4.947 -0.191 220 1HB LEU 45 2HB LEU 45 -3.416 -4.499 -3.135 221 2HB LEU 45 1HB LEU 45 -4.797 -5.117 -2.260 222 HG LEU 45 HG LEU 45 -3.946 -2.249 -1.958 223 1HD1 LEU 45 1HD1 LEU 45 -5.935 -1.960 -3.664 224 2HD1 LEU 45 2HD1 LEU 45 -5.369 -3.532 -4.229 225 3HD1 LEU 45 3HD1 LEU 45 -4.275 -2.152 -4.220 226 1HD2 LEU 45 1HD2 LEU 45 -6.617 -3.596 -1.694 227 2HD2 LEU 45 2HD2 LEU 45 -6.242 -1.908 -1.365 228 3HD2 LEU 45 3HD2 LEU 45 -5.549 -3.176 -0.355 229 H GLU 46 HN GLU 46 -1.147 -4.704 -2.653 230 HA GLU 46 HA GLU 46 -0.230 -7.338 -1.852 231 1HB GLU 46 2HB GLU 46 0.256 -7.557 -4.466 232 2HB GLU 46 1HB GLU 46 -1.235 -8.127 -3.746 233 1HG GLU 46 2HG GLU 46 -2.308 -6.006 -4.405 234 2HG GLU 46 1HG GLU 46 -0.807 -5.524 -5.195 235 H ARG 47 HN ARG 47 1.865 -7.654 -3.430 236 HA ARG 47 HA ARG 47 3.522 -5.259 -3.013 237 1HB ARG 47 2HB ARG 47 3.879 -8.051 -2.182 238 2HB ARG 47 1HB ARG 47 5.301 -7.343 -2.933 239 1HG ARG 47 2HG ARG 47 5.388 -5.603 -1.310 240 2HG ARG 47 1HG ARG 47 3.819 -6.068 -0.647 241 1HD ARG 47 2HD ARG 47 6.388 -7.641 -0.540 242 2HD ARG 47 1HD ARG 47 5.547 -6.881 0.810 243 HE ARG 47 HE ARG 47 4.982 -9.426 -0.354 244 1HH1 ARG 47 1HH1 ARG 47 3.517 -6.711 1.298 245 2HH1 ARG 47 2HH1 ARG 47 2.211 -7.651 1.937 246 1HH2 ARG 47 1HH2 ARG 47 3.263 -10.652 0.490 247 2HH2 ARG 47 2HH2 ARG 47 2.066 -9.884 1.480 248 HA PRO 48 HA PRO 48 5.018 -5.436 -7.172 249 1HB PRO 48 2HB PRO 48 7.724 -5.304 -6.963 250 2HB PRO 48 1HB PRO 48 6.659 -3.922 -6.686 251 1HG PRO 48 2HG PRO 48 7.939 -5.753 -4.694 252 2HG PRO 48 1HG PRO 48 7.788 -3.986 -4.652 253 1HD PRO 48 2HD PRO 48 6.155 -5.586 -3.237 254 2HD PRO 48 1HD PRO 48 5.586 -4.065 -3.950 255 H SER 49 HN SER 49 4.242 -7.875 -6.760 256 HA SER 49 HA SER 49 6.389 -9.789 -6.980 257 1HB SER 49 2HB SER 49 3.448 -9.915 -6.673 258 2HB SER 49 1HB SER 49 4.227 -11.282 -7.470 259 HG SER 49 HG SER 49 4.145 -10.682 -4.859 260 H GLU 50 HN GLU 50 3.988 -8.325 -8.987 261 HA GLU 50 HA GLU 50 5.021 -9.695 -11.349 262 1HB GLU 50 2HB GLU 50 2.924 -8.588 -12.368 263 2HB GLU 50 1HB GLU 50 2.744 -9.995 -11.360 264 1HG GLU 50 2HG GLU 50 2.022 -8.695 -9.526 265 2HG GLU 50 1HG GLU 50 2.422 -7.204 -10.368 266 H ARG 51 HN ARG 51 4.260 -6.611 -9.961 267 HA ARG 51 HA ARG 51 5.733 -5.254 -12.122 268 1HB ARG 51 2HB ARG 51 4.332 -3.409 -10.374 269 2HB ARG 51 1HB ARG 51 4.225 -3.594 -12.115 270 1HG ARG 51 2HG ARG 51 2.714 -5.274 -10.129 271 2HG ARG 51 1HG ARG 51 2.067 -3.845 -10.938 272 1HD ARG 51 2HD ARG 51 2.921 -6.453 -12.177 273 2HD ARG 51 1HD ARG 51 1.308 -5.742 -12.154 274 HE ARG 51 HE ARG 51 2.759 -3.887 -13.467 275 1HH1 ARG 51 1HH1 ARG 51 2.399 -7.339 -13.904 276 2HH1 ARG 51 2HH1 ARG 51 2.669 -7.271 -15.612 277 1HH2 ARG 51 1HH2 ARG 51 3.111 -3.807 -15.712 278 2HH2 ARG 51 2HH2 ARG 51 3.074 -5.271 -16.638 279 HA PRO 52 HA PRO 52 8.625 -4.510 -8.766 280 1HB PRO 52 2HB PRO 52 10.794 -4.033 -10.252 281 2HB PRO 52 1HB PRO 52 10.103 -5.655 -10.139 282 1HG PRO 52 2HG PRO 52 9.992 -3.705 -12.369 283 2HG PRO 52 1HG PRO 52 9.958 -5.474 -12.417 284 1HD PRO 52 2HD PRO 52 7.740 -3.690 -12.567 285 2HD PRO 52 1HD PRO 52 7.694 -5.461 -12.483 286 H GLY 53 HN GLY 53 8.341 -2.672 -7.685 287 1HA GLY 53 2HA GLY 53 9.286 -0.463 -7.345 288 2HA GLY 53 1HA GLY 53 9.043 -0.161 -9.052 289 H TRP 54 HN TRP 54 6.382 -1.755 -8.051 290 HA TRP 54 HA TRP 54 4.911 0.690 -7.651 291 1HB TRP 54 2HB TRP 54 3.207 -0.185 -8.873 292 2HB TRP 54 1HB TRP 54 4.556 -1.003 -9.610 293 HD1 TRP 54 1HD TRP 54 4.897 -3.328 -7.410 294 HE1 TRP 54 1HE TRP 54 3.108 -5.196 -7.283 295 HE3 TRP 54 3HE TRP 54 1.089 -0.902 -9.710 296 HZ2 TRP 54 2HZ TRP 54 0.418 -5.568 -8.087 297 HZ3 TRP 54 3HZ TRP 54 -1.071 -2.062 -10.015 298 HH2 TRP 54 2HH TRP 54 -1.398 -4.346 -9.211 299 H CYS 55 HN CYS 55 2.901 0.572 -6.352 300 HA CYS 55 HA CYS 55 2.648 -1.540 -4.434 301 1HB CYS 55 2HB CYS 55 4.393 0.349 -3.616 302 2HB CYS 55 1HB CYS 55 2.905 0.980 -2.951 303 HG CYS 55 HG CYS 55 4.311 -1.611 -2.075 304 H LEU 56 HN LEU 56 0.820 -1.373 -3.116 305 HA LEU 56 HA LEU 56 -1.263 0.363 -4.246 306 1HB LEU 56 2HB LEU 56 -1.234 -2.432 -3.196 307 2HB LEU 56 1HB LEU 56 -2.712 -1.514 -3.243 308 HG LEU 56 HG LEU 56 -2.798 -1.491 -5.561 309 1HD1 LEU 56 1HD1 LEU 56 0.144 -2.154 -5.505 310 2HD1 LEU 56 2HD1 LEU 56 -0.634 -0.721 -6.175 311 3HD1 LEU 56 3HD1 LEU 56 -0.837 -2.285 -6.965 312 1HD2 LEU 56 1HD2 LEU 56 -1.930 -4.022 -4.345 313 2HD2 LEU 56 2HD2 LEU 56 -1.907 -3.967 -6.106 314 3HD2 LEU 56 3HD2 LEU 56 -3.401 -3.635 -5.233 315 H VAL 57 HN VAL 57 -3.064 0.954 -2.734 316 HA VAL 57 HA VAL 57 -2.244 0.890 0.084 317 HB VAL 57 HB VAL 57 -3.115 3.353 0.166 318 1HG1 VAL 57 1HG1 VAL 57 -0.990 3.159 0.915 319 2HG1 VAL 57 2HG1 VAL 57 -0.662 4.017 -0.590 320 3HG1 VAL 57 3HG1 VAL 57 -0.455 2.267 -0.508 321 1HG2 VAL 57 1HG2 VAL 57 -3.667 3.226 -2.346 322 2HG2 VAL 57 2HG2 VAL 57 -1.934 3.453 -2.582 323 3HG2 VAL 57 3HG2 VAL 57 -2.877 4.678 -1.732 324 H ARG 58 HN ARG 58 -3.861 0.183 1.282 325 HA ARG 58 HA ARG 58 -6.616 0.686 0.445 326 1HB ARG 58 2HB ARG 58 -6.904 -1.529 0.413 327 2HB ARG 58 1HB ARG 58 -5.296 -1.798 1.052 328 1HG ARG 58 2HG ARG 58 -6.757 -2.871 2.537 329 2HG ARG 58 1HG ARG 58 -6.308 -1.383 3.346 330 1HD ARG 58 2HD ARG 58 -8.844 -2.307 3.022 331 2HD ARG 58 1HD ARG 58 -8.400 -0.658 3.408 332 HE ARG 58 HE ARG 58 -8.470 -0.249 0.929 333 1HH1 ARG 58 1HH1 ARG 58 -10.457 -2.776 2.419 334 2HH1 ARG 58 2HH1 ARG 58 -11.618 -2.760 1.144 335 1HH2 ARG 58 1HH2 ARG 58 -10.054 -0.285 -0.709 336 2HH2 ARG 58 2HH2 ARG 58 -11.398 -1.363 -0.605 337 H THR 59 HN THR 59 -8.130 1.322 2.099 338 HA THR 59 HA THR 59 -6.863 1.821 4.710 339 HB THR 59 HB THR 59 -7.046 3.811 3.248 340 HG1 THR 59 1HG THR 59 -7.582 5.096 4.944 341 1HG2 THR 59 1HG2 THR 59 -9.235 3.362 2.230 342 2HG2 THR 59 2HG2 THR 59 -9.144 4.955 2.982 343 3HG2 THR 59 3HG2 THR 59 -9.996 3.642 3.796 344 H THR 60 HN THR 60 -7.958 1.307 6.449 345 HA THR 60 HA THR 60 -10.699 0.287 6.115 346 HB THR 60 HB THR 60 -10.225 -1.258 7.961 347 HG1 THR 60 1HG THR 60 -8.688 -0.480 9.203 348 1HG2 THR 60 1HG2 THR 60 -9.786 -2.269 5.898 349 2HG2 THR 60 2HG2 THR 60 -8.365 -2.602 6.888 350 3HG2 THR 60 3HG2 THR 60 -8.308 -1.337 5.660 351 H GLU 61 HN GLU 61 -8.766 2.637 7.677 352 HA GLU 61 HA GLU 61 -10.572 2.952 9.920 353 1HB GLU 61 2HB GLU 61 -8.022 4.292 9.083 354 2HB GLU 61 1HB GLU 61 -9.041 5.008 10.324 355 1HG GLU 61 2HG GLU 61 -8.542 3.419 11.855 356 2HG GLU 61 1HG GLU 61 -8.353 2.152 10.644 357 H ARG 62 HN ARG 62 -11.189 3.511 6.939 358 HA ARG 62 HA ARG 62 -12.649 5.964 7.421 359 1HB ARG 62 2HB ARG 62 -10.911 6.869 6.154 360 2HB ARG 62 1HB ARG 62 -10.667 5.390 5.243 361 1HG ARG 62 2HG ARG 62 -12.102 5.984 3.645 362 2HG ARG 62 1HG ARG 62 -13.260 6.656 4.793 363 1HD ARG 62 2HD ARG 62 -11.228 8.454 4.969 364 2HD ARG 62 1HD ARG 62 -11.111 7.973 3.277 365 HE ARG 62 HE ARG 62 -13.795 8.567 3.993 366 1HH1 ARG 62 1HH1 ARG 62 -10.746 10.092 3.208 367 2HH1 ARG 62 2HH1 ARG 62 -11.486 11.541 2.618 368 1HH2 ARG 62 1HH2 ARG 62 -14.759 10.474 3.216 369 2HH2 ARG 62 2HH2 ARG 62 -13.760 11.759 2.622 370 H SER 63 HN SER 63 -14.550 4.878 7.597 371 HA SER 63 HA SER 63 -15.268 2.782 5.769 372 1HB SER 63 2HB SER 63 -17.564 3.198 7.076 373 2HB SER 63 1HB SER 63 -16.224 2.304 7.793 374 HG SER 63 HG SER 63 -17.134 4.893 8.329 375 HA PRO 64 HA PRO 64 -16.433 1.873 4.370 376 1HB PRO 64 2HB PRO 64 -16.666 1.661 1.710 377 2HB PRO 64 1HB PRO 64 -18.086 1.834 2.750 378 1HG PRO 64 2HG PRO 64 -16.678 3.901 1.108 379 2HG PRO 64 1HG PRO 64 -18.417 3.629 1.314 380 1HD PRO 64 2HD PRO 64 -16.996 5.548 2.663 381 2HD PRO 64 1HD PRO 64 -18.493 4.813 3.269 382 HA PRO 65 HA PRO 65 -12.034 1.700 3.675 383 1HB PRO 65 2HB PRO 65 -12.136 -0.535 1.912 384 2HB PRO 65 1HB PRO 65 -11.760 -0.537 3.634 385 1HG PRO 65 2HG PRO 65 -14.303 -1.154 2.250 386 2HG PRO 65 1HG PRO 65 -13.698 -1.736 3.811 387 1HD PRO 65 2HD PRO 65 -15.691 0.059 3.645 388 2HD PRO 65 1HD PRO 65 -14.483 0.126 4.947 389 H GLN 66 HN GLN 66 -10.439 1.798 1.943 390 HA GLN 66 HA GLN 66 -11.438 2.462 -0.671 391 1HB GLN 66 2HB GLN 66 -10.909 4.407 1.266 392 2HB GLN 66 1HB GLN 66 -9.520 4.445 0.192 393 1HG GLN 66 2HG GLN 66 -11.177 4.570 -1.707 394 2HG GLN 66 1HG GLN 66 -12.407 4.858 -0.478 395 1HE2 GLN 66 1HE2 GLN 66 -11.067 6.493 -2.700 396 2HE2 GLN 66 2HE2 GLN 66 -10.680 7.985 -1.922 397 H GLU 67 HN GLU 67 -10.022 1.806 -2.246 398 HA GLU 67 HA GLU 67 -7.326 1.121 -1.326 399 1HB GLU 67 2HB GLU 67 -7.467 -0.552 -3.376 400 2HB GLU 67 1HB GLU 67 -7.922 -0.986 -1.753 401 1HG GLU 67 2HG GLU 67 -9.970 -1.489 -2.410 402 2HG GLU 67 1HG GLU 67 -10.191 0.112 -3.101 403 H GLY 68 HN GLY 68 -5.633 1.325 -2.731 404 1HA GLY 68 2HA GLY 68 -6.171 2.932 -5.156 405 2HA GLY 68 1HA GLY 68 -5.133 3.602 -3.923 406 H LEU 69 HN LEU 69 -4.020 3.609 -6.196 407 HA LEU 69 HA LEU 69 -2.000 1.526 -6.053 408 1HB LEU 69 2HB LEU 69 -3.884 1.936 -8.293 409 2HB LEU 69 1HB LEU 69 -2.209 1.642 -8.721 410 HG LEU 69 HG LEU 69 -2.436 -0.346 -7.053 411 1HD1 LEU 69 1HD1 LEU 69 -4.465 -0.648 -6.195 412 2HD1 LEU 69 2HD1 LEU 69 -5.044 -1.024 -7.816 413 3HD1 LEU 69 3HD1 LEU 69 -5.140 0.627 -7.207 414 1HD2 LEU 69 1HD2 LEU 69 -3.778 -0.570 -9.730 415 2HD2 LEU 69 2HD2 LEU 69 -2.826 -1.786 -8.878 416 3HD2 LEU 69 3HD2 LEU 69 -2.036 -0.357 -9.544 417 H VAL 70 HN VAL 70 -0.029 2.243 -6.364 418 HA VAL 70 HA VAL 70 0.605 4.466 -8.062 419 HB VAL 70 HB VAL 70 1.900 5.498 -5.954 420 1HG1 VAL 70 1HG1 VAL 70 -0.928 6.356 -6.220 421 2HG1 VAL 70 2HG1 VAL 70 0.108 6.415 -7.647 422 3HG1 VAL 70 3HG1 VAL 70 0.551 7.316 -6.197 423 1HG2 VAL 70 1HG2 VAL 70 0.357 3.711 -4.607 424 2HG2 VAL 70 2HG2 VAL 70 -0.652 5.156 -4.542 425 3HG2 VAL 70 3HG2 VAL 70 0.997 5.202 -3.916 426 HA PRO 71 HA PRO 71 4.366 2.256 -7.770 427 1HB PRO 71 2HB PRO 71 6.309 4.043 -8.321 428 2HB PRO 71 1HB PRO 71 5.178 3.422 -9.527 429 1HG PRO 71 2HG PRO 71 5.310 6.092 -8.317 430 2HG PRO 71 1HG PRO 71 4.462 5.568 -9.778 431 1HD PRO 71 2HD PRO 71 3.388 6.007 -7.130 432 2HD PRO 71 1HD PRO 71 2.518 5.599 -8.614 433 H SER 72 HN SER 72 6.157 1.723 -6.530 434 HA SER 72 HA SER 72 6.055 2.132 -3.845 435 1HB SER 72 2HB SER 72 7.370 0.355 -4.998 436 2HB SER 72 1HB SER 72 8.592 1.564 -5.393 437 HG SER 72 HG SER 72 7.765 0.799 -2.786 438 H SER 73 HN SER 73 7.498 4.211 -6.236 439 HA SER 73 HA SER 73 9.262 5.675 -4.636 440 1HB SER 73 2HB SER 73 8.721 5.750 -7.236 441 2HB SER 73 1HB SER 73 7.686 7.089 -6.742 442 HG SER 73 HG SER 73 10.419 6.887 -6.025 443 H THR 74 HN THR 74 5.767 5.818 -4.982 444 HA THR 74 HA THR 74 5.632 8.148 -3.224 445 HB THR 74 HB THR 74 3.547 8.553 -4.088 446 HG1 THR 74 1HG THR 74 2.200 6.973 -3.951 447 1HG2 THR 74 1HG2 THR 74 4.846 6.987 -6.271 448 2HG2 THR 74 2HG2 THR 74 5.044 8.705 -5.952 449 3HG2 THR 74 3HG2 THR 74 3.482 8.081 -6.478 450 H LEU 75 HN LEU 75 5.673 4.848 -2.962 451 HA LEU 75 HA LEU 75 4.026 4.871 -0.562 452 1HB LEU 75 2HB LEU 75 4.594 2.597 -2.461 453 2HB LEU 75 1HB LEU 75 3.643 2.481 -0.994 454 HG LEU 75 HG LEU 75 2.486 4.565 -2.485 455 1HD1 LEU 75 1HD1 LEU 75 2.842 4.133 -4.634 456 2HD1 LEU 75 2HD1 LEU 75 1.999 2.601 -4.431 457 3HD1 LEU 75 3HD1 LEU 75 3.748 2.672 -4.247 458 1HD2 LEU 75 1HD2 LEU 75 1.189 1.936 -2.684 459 2HD2 LEU 75 2HD2 LEU 75 0.590 3.453 -2.017 460 3HD2 LEU 75 3HD2 LEU 75 1.636 2.416 -1.046 461 H CYS 76 HN CYS 76 4.770 2.762 0.711 462 HA CYS 76 HA CYS 76 7.313 3.349 1.762 463 1HB CYS 76 2HB CYS 76 5.474 2.173 3.000 464 2HB CYS 76 1HB CYS 76 5.832 0.729 2.060 465 HG CYS 76 HG CYS 76 7.376 1.697 4.474 466 H ILE 77 HN ILE 77 9.280 2.185 1.664 467 HA ILE 77 HA ILE 77 9.520 0.296 -0.573 468 HB ILE 77 HB ILE 77 11.617 1.315 -1.286 469 1HG1 ILE 77 2HG1 ILE 77 12.172 2.319 0.957 470 2HG1 ILE 77 1HG1 ILE 77 12.442 3.388 -0.414 471 1HG2 ILE 77 1HG2 ILE 77 10.211 2.264 -2.729 472 2HG2 ILE 77 2HG2 ILE 77 10.343 3.721 -1.745 473 3HG2 ILE 77 3HG2 ILE 77 9.016 2.593 -1.476 474 1HD1 ILE 77 1HD1 ILE 77 9.817 3.864 0.467 475 2HD1 ILE 77 2HD1 ILE 77 11.222 4.921 0.604 476 3HD1 ILE 77 3HD1 ILE 77 10.836 3.794 1.904 477 H SER 78 HN SER 78 11.292 -1.156 -0.451 478 HA SER 78 HA SER 78 12.351 -1.475 2.281 479 1HB SER 78 2HB SER 78 12.573 -3.931 1.600 480 2HB SER 78 1HB SER 78 10.935 -3.328 1.855 481 HG SER 78 HG SER 78 10.760 -3.084 -0.413 482 H HIS 79 HN HIS 79 14.138 -0.093 1.712 483 HA HIS 79 HA HIS 79 16.087 -1.350 -0.103 484 1HB HIS 79 2HB HIS 79 15.577 1.500 0.673 485 2HB HIS 79 1HB HIS 79 17.184 1.017 0.139 486 HD1 HIS 79 1HD HIS 79 13.855 -0.113 -1.290 487 HD2 HIS 79 2HD HIS 79 17.239 2.038 -2.384 488 HE1 HIS 79 1HE HIS 79 13.578 0.376 -3.743 489 HE2 HIS 79 2HE HIS 79 15.675 1.610 -4.399 490 H SER 80 HN SER 80 15.604 -2.174 2.644 491 HA SER 80 HA SER 80 17.713 -1.142 4.283 492 1HB SER 80 2HB SER 80 15.587 -2.138 5.172 493 2HB SER 80 1HB SER 80 16.170 -3.718 4.650 494 HG SER 80 HG SER 80 17.867 -3.544 6.087 Start of MODEL 10 1 H SER 14 HN SER 14 -3.230 -13.928 8.828 2 HA SER 14 HA SER 14 -1.912 -15.327 6.633 3 1HB SER 14 2HB SER 14 -4.836 -15.400 7.403 4 2HB SER 14 1HB SER 14 -3.980 -16.533 6.358 5 HG SER 14 HG SER 14 -4.266 -17.319 8.508 6 H GLY 15 HN GLY 15 -4.086 -12.655 7.223 7 1HA GLY 15 2HA GLY 15 -5.125 -12.305 4.647 8 2HA GLY 15 1HA GLY 15 -4.920 -11.027 5.837 9 H GLY 16 HN GLY 16 -4.590 -10.765 3.010 10 1HA GLY 16 2HA GLY 16 -1.679 -10.454 2.724 11 2HA GLY 16 1HA GLY 16 -2.836 -10.475 1.402 12 H CYS 17 HN CYS 17 -2.466 -8.594 4.406 13 HA CYS 17 HA CYS 17 -2.443 -6.152 2.798 14 1HB CYS 17 2HB CYS 17 -3.812 -5.135 4.774 15 2HB CYS 17 1HB CYS 17 -4.642 -6.009 3.496 16 HG CYS 17 HG CYS 17 -4.551 -8.095 5.290 17 H GLU 18 HN GLU 18 -0.909 -4.768 3.373 18 HA GLU 18 HA GLU 18 0.317 -5.061 6.030 19 1HB GLU 18 2HB GLU 18 1.798 -6.106 4.403 20 2HB GLU 18 1HB GLU 18 1.777 -4.654 3.414 21 1HG GLU 18 2HG GLU 18 2.910 -3.418 5.165 22 2HG GLU 18 1HG GLU 18 2.875 -4.837 6.211 23 H LEU 19 HN LEU 19 1.105 -3.164 6.943 24 HA LEU 19 HA LEU 19 -0.261 -0.796 6.048 25 1HB LEU 19 2HB LEU 19 1.768 -0.486 8.153 26 2HB LEU 19 1HB LEU 19 0.135 0.130 8.069 27 HG LEU 19 HG LEU 19 0.996 -2.621 8.929 28 1HD1 LEU 19 1HD1 LEU 19 -0.221 -0.251 10.299 29 2HD1 LEU 19 2HD1 LEU 19 1.236 -1.148 10.725 30 3HD1 LEU 19 3HD1 LEU 19 -0.352 -1.878 10.968 31 1HD2 LEU 19 1HD2 LEU 19 -1.605 -2.686 9.413 32 2HD2 LEU 19 2HD2 LEU 19 -0.937 -3.212 7.868 33 3HD2 LEU 19 3HD2 LEU 19 -1.642 -1.603 8.022 34 H THR 20 HN THR 20 0.495 0.818 4.914 35 HA THR 20 HA THR 20 3.376 1.148 4.559 36 HB THR 20 HB THR 20 2.670 -0.221 2.667 37 HG1 THR 20 1HG THR 20 3.077 2.479 1.907 38 1HG2 THR 20 1HG2 THR 20 0.356 0.236 2.436 39 2HG2 THR 20 2HG2 THR 20 1.150 0.767 0.954 40 3HG2 THR 20 3HG2 THR 20 0.658 1.952 2.164 41 H VAL 21 HN VAL 21 4.033 3.229 4.084 42 HA VAL 21 HA VAL 21 1.948 5.289 4.330 43 HB VAL 21 HB VAL 21 3.964 6.751 5.009 44 1HG1 VAL 21 1HG1 VAL 21 2.979 4.582 6.853 45 2HG1 VAL 21 2HG1 VAL 21 2.188 6.128 6.543 46 3HG1 VAL 21 3HG1 VAL 21 3.751 6.086 7.358 47 1HG2 VAL 21 1HG2 VAL 21 5.130 4.030 5.580 48 2HG2 VAL 21 2HG2 VAL 21 5.814 5.577 6.081 49 3HG2 VAL 21 3HG2 VAL 21 5.714 5.171 4.367 50 H VAL 22 HN VAL 22 1.845 6.872 2.775 51 HA VAL 22 HA VAL 22 3.330 6.369 0.382 52 HB VAL 22 HB VAL 22 2.028 8.571 -0.309 53 1HG1 VAL 22 1HG1 VAL 22 1.869 6.039 -0.956 54 2HG1 VAL 22 2HG1 VAL 22 0.648 7.202 -1.472 55 3HG1 VAL 22 3HG1 VAL 22 0.342 6.158 -0.082 56 1HG2 VAL 22 1HG2 VAL 22 0.045 7.460 1.620 57 2HG2 VAL 22 2HG2 VAL 22 0.035 9.008 0.775 58 3HG2 VAL 22 3HG2 VAL 22 1.153 8.741 2.112 59 H LEU 23 HN LEU 23 5.108 7.323 -0.246 60 HA LEU 23 HA LEU 23 6.367 9.270 1.379 61 1HB LEU 23 2HB LEU 23 7.419 8.680 -1.336 62 2HB LEU 23 1HB LEU 23 8.286 8.900 0.170 63 HG LEU 23 HG LEU 23 6.816 6.434 -0.750 64 1HD1 LEU 23 1HD1 LEU 23 9.634 7.285 -0.579 65 2HD1 LEU 23 2HD1 LEU 23 8.847 6.167 -1.692 66 3HD1 LEU 23 3HD1 LEU 23 9.282 5.635 -0.068 67 1HD2 LEU 23 1HD2 LEU 23 6.321 6.337 1.489 68 2HD2 LEU 23 2HD2 LEU 23 7.756 7.248 1.958 69 3HD2 LEU 23 3HD2 LEU 23 7.903 5.559 1.473 70 H GLN 24 HN GLN 24 4.430 9.429 -1.506 71 HA GLN 24 HA GLN 24 4.699 12.321 -1.443 72 1HB GLN 24 2HB GLN 24 5.246 12.546 -3.703 73 2HB GLN 24 1HB GLN 24 6.262 11.242 -3.130 74 1HG GLN 24 2HG GLN 24 5.270 9.701 -4.393 75 2HG GLN 24 1HG GLN 24 3.697 10.487 -4.377 76 1HE2 GLN 24 1HE2 GLN 24 6.984 10.865 -5.628 77 2HE2 GLN 24 2HE2 GLN 24 6.520 11.605 -7.119 78 H ASP 25 HN ASP 25 2.880 13.449 -2.264 79 HA ASP 25 HA ASP 25 0.418 12.086 -1.875 80 1HB ASP 25 2HB ASP 25 0.035 14.551 -3.363 81 2HB ASP 25 1HB ASP 25 -0.522 14.117 -1.768 82 H PHE 26 HN PHE 26 -1.168 11.591 -3.311 83 HA PHE 26 HA PHE 26 -0.629 11.734 -6.166 84 1HB PHE 26 2HB PHE 26 0.271 9.549 -5.341 85 2HB PHE 26 1HB PHE 26 -1.357 9.114 -4.870 86 HD1 PHE 26 1HD PHE 26 0.803 9.879 -7.747 87 HD2 PHE 26 2HD PHE 26 -2.964 8.384 -6.445 88 HE1 PHE 26 1HE PHE 26 0.354 9.048 -10.018 89 HE2 PHE 26 2HE PHE 26 -3.418 7.550 -8.714 90 HZ PHE 26 HZ PHE 26 -1.758 7.880 -10.503 91 H SER 27 HN SER 27 -2.489 11.414 -7.459 92 HA SER 27 HA SER 27 -5.010 11.481 -5.988 93 1HB SER 27 2HB SER 27 -5.598 12.852 -8.208 94 2HB SER 27 1HB SER 27 -4.970 13.632 -6.768 95 HG SER 27 HG SER 27 -3.736 14.338 -8.455 96 H ALA 28 HN ALA 28 -6.553 10.167 -6.783 97 HA ALA 28 HA ALA 28 -6.003 7.927 -8.165 98 1HB ALA 28 1HB ALA 28 -8.719 9.117 -8.381 99 2HB ALA 28 2HB ALA 28 -8.075 8.643 -6.815 100 3HB ALA 28 3HB ALA 28 -8.254 7.445 -8.092 101 H ALA 29 HN ALA 29 -7.548 7.298 -10.109 102 HA ALA 29 HA ALA 29 -7.996 8.958 -12.267 103 1HB ALA 29 1HB ALA 29 -5.277 8.802 -11.921 104 2HB ALA 29 2HB ALA 29 -6.092 9.216 -13.428 105 3HB ALA 29 3HB ALA 29 -5.577 7.556 -13.131 106 H HIS 30 HN HIS 30 -6.988 5.801 -11.109 107 HA HIS 30 HA HIS 30 -8.417 4.538 -13.331 108 1HB HIS 30 2HB HIS 30 -5.955 3.942 -12.394 109 2HB HIS 30 1HB HIS 30 -6.928 2.829 -11.439 110 HD1 HIS 30 1HD HIS 30 -6.814 0.614 -12.520 111 HD2 HIS 30 2HD HIS 30 -7.139 3.675 -15.311 112 HE1 HIS 30 1HE HIS 30 -6.953 -0.527 -14.756 113 HE2 HIS 30 2HE HIS 30 -7.241 1.342 -16.421 114 H SER 31 HN SER 31 -9.300 2.301 -12.570 115 HA SER 31 HA SER 31 -11.695 2.636 -11.352 116 1HB SER 31 2HB SER 31 -9.950 0.263 -11.775 117 2HB SER 31 1HB SER 31 -11.354 0.072 -10.726 118 HG SER 31 HG SER 31 -11.528 1.224 -13.304 119 H SER 32 HN SER 32 -9.161 0.818 -9.638 120 HA SER 32 HA SER 32 -10.393 1.597 -7.123 121 1HB SER 32 2HB SER 32 -9.390 -0.777 -7.945 122 2HB SER 32 1HB SER 32 -7.991 -0.128 -7.089 123 HG SER 32 HG SER 32 -9.776 -1.380 -5.915 124 H GLU 33 HN GLU 33 -9.101 3.754 -8.415 125 HA GLU 33 HA GLU 33 -6.613 4.099 -6.931 126 1HB GLU 33 2HB GLU 33 -7.784 5.256 -9.392 127 2HB GLU 33 1HB GLU 33 -6.754 6.293 -8.434 128 1HG GLU 33 2HG GLU 33 -5.353 3.961 -8.551 129 2HG GLU 33 1HG GLU 33 -6.086 4.093 -10.142 130 H LEU 34 HN LEU 34 -6.251 6.083 -5.761 131 HA LEU 34 HA LEU 34 -8.527 7.753 -5.187 132 1HB LEU 34 2HB LEU 34 -7.914 7.355 -2.653 133 2HB LEU 34 1HB LEU 34 -9.137 6.423 -3.488 134 HG LEU 34 HG LEU 34 -7.221 4.721 -3.926 135 1HD1 LEU 34 1HD1 LEU 34 -6.074 6.516 -1.824 136 2HD1 LEU 34 2HD1 LEU 34 -5.294 5.805 -3.238 137 3HD1 LEU 34 3HD1 LEU 34 -5.690 4.795 -1.848 138 1HD2 LEU 34 1HD2 LEU 34 -7.626 3.778 -1.620 139 2HD2 LEU 34 2HD2 LEU 34 -9.074 4.169 -2.549 140 3HD2 LEU 34 3HD2 LEU 34 -8.527 5.250 -1.266 141 H SER 35 HN SER 35 -7.893 9.541 -3.694 142 HA SER 35 HA SER 35 -5.267 10.446 -4.407 143 1HB SER 35 2HB SER 35 -6.173 12.530 -3.109 144 2HB SER 35 1HB SER 35 -6.740 12.193 -4.743 145 HG SER 35 HG SER 35 -8.627 11.419 -3.931 146 H ILE 36 HN ILE 36 -3.633 10.348 -3.167 147 HA ILE 36 HA ILE 36 -3.991 10.032 -0.270 148 HB ILE 36 HB ILE 36 -1.661 8.851 -0.489 149 1HG1 ILE 36 2HG1 ILE 36 -1.627 9.343 -2.990 150 2HG1 ILE 36 1HG1 ILE 36 -1.222 7.706 -2.514 151 1HG2 ILE 36 1HG2 ILE 36 -4.367 7.935 -0.407 152 2HG2 ILE 36 2HG2 ILE 36 -2.926 7.234 0.331 153 3HG2 ILE 36 3HG2 ILE 36 -3.384 6.782 -1.310 154 1HD1 ILE 36 1HD1 ILE 36 -2.759 6.945 -3.899 155 2HD1 ILE 36 2HD1 ILE 36 -3.201 8.596 -4.331 156 3HD1 ILE 36 3HD1 ILE 36 -4.006 7.792 -2.986 157 H GLN 37 HN GLN 37 -2.076 10.713 0.962 158 HA GLN 37 HA GLN 37 -0.612 12.893 -0.291 159 1HB GLN 37 2HB GLN 37 -2.393 12.900 2.065 160 2HB GLN 37 1HB GLN 37 -0.910 13.817 2.208 161 1HG GLN 37 2HG GLN 37 -1.721 15.469 0.971 162 2HG GLN 37 1HG GLN 37 -2.185 14.352 -0.310 163 1HE2 GLN 37 1HE2 GLN 37 -3.233 16.171 2.417 164 2HE2 GLN 37 2HE2 GLN 37 -4.921 15.831 2.271 165 H VAL 38 HN VAL 38 1.405 13.357 0.543 166 HA VAL 38 HA VAL 38 2.954 11.171 1.398 167 HB VAL 38 HB VAL 38 3.931 13.021 0.170 168 1HG1 VAL 38 1HG1 VAL 38 3.985 14.895 2.429 169 2HG1 VAL 38 2HG1 VAL 38 2.411 14.660 1.670 170 3HG1 VAL 38 3HG1 VAL 38 3.785 15.196 0.703 171 1HG2 VAL 38 1HG2 VAL 38 5.195 13.121 2.896 172 2HG2 VAL 38 2HG2 VAL 38 5.976 13.234 1.319 173 3HG2 VAL 38 3HG2 VAL 38 5.305 11.697 1.862 174 H GLY 39 HN GLY 39 3.200 10.316 3.395 175 1HA GLY 39 2HA GLY 39 3.901 10.728 5.683 176 2HA GLY 39 1HA GLY 39 2.819 12.101 5.717 177 H GLN 40 HN GLN 40 0.694 10.431 4.380 178 HA GLN 40 HA GLN 40 -0.461 9.499 6.784 179 1HB GLN 40 2HB GLN 40 -2.407 9.148 5.562 180 2HB GLN 40 1HB GLN 40 -1.681 10.582 4.907 181 1HG GLN 40 2HG GLN 40 -0.751 9.227 3.098 182 2HG GLN 40 1HG GLN 40 -1.605 7.835 3.744 183 1HE2 GLN 40 1HE2 GLN 40 -3.245 7.390 2.457 184 2HE2 GLN 40 2HE2 GLN 40 -4.359 8.532 1.799 185 H THR 41 HN THR 41 -1.565 7.376 6.897 186 HA THR 41 HA THR 41 0.171 5.265 5.810 187 HB THR 41 HB THR 41 -1.025 5.441 8.572 188 HG1 THR 41 1HG THR 41 1.077 5.204 9.202 189 1HG2 THR 41 1HG2 THR 41 0.263 3.069 8.662 190 2HG2 THR 41 2HG2 THR 41 -0.372 3.006 7.017 191 3HG2 THR 41 3HG2 THR 41 -1.473 3.221 8.377 192 H VAL 42 HN VAL 42 -0.743 3.785 4.691 193 HA VAL 42 HA VAL 42 -3.420 2.933 5.277 194 HB VAL 42 HB VAL 42 -2.933 4.648 2.998 195 1HG1 VAL 42 1HG1 VAL 42 -3.708 1.850 2.410 196 2HG1 VAL 42 2HG1 VAL 42 -2.536 2.846 1.608 197 3HG1 VAL 42 3HG1 VAL 42 -4.257 3.169 1.396 198 1HG2 VAL 42 1HG2 VAL 42 -4.901 5.137 4.042 199 2HG2 VAL 42 2HG2 VAL 42 -5.227 3.454 4.452 200 3HG2 VAL 42 3HG2 VAL 42 -5.532 4.036 2.815 201 H GLU 43 HN GLU 43 -3.779 0.869 4.741 202 HA GLU 43 HA GLU 43 -1.454 -0.733 4.552 203 1HB GLU 43 2HB GLU 43 -2.975 -2.619 4.849 204 2HB GLU 43 1HB GLU 43 -3.314 -1.343 6.010 205 1HG GLU 43 2HG GLU 43 -5.147 -0.561 4.523 206 2HG GLU 43 1HG GLU 43 -4.856 -1.965 3.500 207 H LEU 44 HN LEU 44 -0.521 -1.523 2.776 208 HA LEU 44 HA LEU 44 -1.671 -1.167 0.222 209 1HB LEU 44 2HB LEU 44 0.262 -2.499 -0.578 210 2HB LEU 44 1HB LEU 44 0.657 -1.049 0.282 211 HG LEU 44 HG LEU 44 0.970 -2.633 2.325 212 1HD1 LEU 44 1HD1 LEU 44 0.555 -4.496 0.086 213 2HD1 LEU 44 2HD1 LEU 44 0.301 -4.722 1.815 214 3HD1 LEU 44 3HD1 LEU 44 1.923 -4.854 1.138 215 1HD2 LEU 44 1HD2 LEU 44 2.968 -2.923 0.107 216 2HD2 LEU 44 2HD2 LEU 44 3.257 -2.826 1.844 217 3HD2 LEU 44 3HD2 LEU 44 2.725 -1.397 0.957 218 H LEU 45 HN LEU 45 -2.281 -2.638 -1.245 219 HA LEU 45 HA LEU 45 -3.780 -4.844 -0.189 220 1HB LEU 45 2HB LEU 45 -3.383 -4.320 -3.112 221 2HB LEU 45 1HB LEU 45 -4.761 -5.036 -2.308 222 HG LEU 45 HG LEU 45 -4.037 -2.136 -1.902 223 1HD1 LEU 45 1HD1 LEU 45 -6.013 -1.853 -3.581 224 2HD1 LEU 45 2HD1 LEU 45 -5.501 -3.438 -4.158 225 3HD1 LEU 45 3HD1 LEU 45 -4.375 -2.083 -4.188 226 1HD2 LEU 45 1HD2 LEU 45 -6.416 -3.864 -1.372 227 2HD2 LEU 45 2HD2 LEU 45 -6.577 -2.120 -1.552 228 3HD2 LEU 45 3HD2 LEU 45 -5.554 -2.781 -0.280 229 H GLU 46 HN GLU 46 -1.233 -4.683 -2.730 230 HA GLU 46 HA GLU 46 -0.413 -7.341 -1.876 231 1HB GLU 46 2HB GLU 46 -0.239 -8.078 -4.094 232 2HB GLU 46 1HB GLU 46 -1.784 -7.265 -4.017 233 1HG GLU 46 2HG GLU 46 -0.511 -5.229 -4.934 234 2HG GLU 46 1HG GLU 46 0.745 -6.390 -5.353 235 H ARG 47 HN ARG 47 1.696 -7.456 -3.834 236 HA ARG 47 HA ARG 47 3.466 -5.259 -3.044 237 1HB ARG 47 2HB ARG 47 3.863 -8.185 -2.553 238 2HB ARG 47 1HB ARG 47 5.259 -7.155 -2.834 239 1HG ARG 47 2HG ARG 47 4.638 -5.762 -0.942 240 2HG ARG 47 1HG ARG 47 3.200 -6.747 -0.675 241 1HD ARG 47 2HD ARG 47 5.014 -8.686 -0.615 242 2HD ARG 47 1HD ARG 47 6.053 -7.350 -0.121 243 HE ARG 47 HE ARG 47 3.708 -7.272 1.408 244 1HH1 ARG 47 1HH1 ARG 47 6.549 -9.274 1.010 245 2HH1 ARG 47 2HH1 ARG 47 6.521 -9.845 2.645 246 1HH2 ARG 47 1HH2 ARG 47 3.681 -8.026 3.552 247 2HH2 ARG 47 2HH2 ARG 47 4.896 -9.139 4.086 248 HA PRO 48 HA PRO 48 5.094 -5.388 -7.153 249 1HB PRO 48 2HB PRO 48 7.885 -5.551 -6.270 250 2HB PRO 48 1HB PRO 48 7.042 -4.228 -7.074 251 1HG PRO 48 2HG PRO 48 7.811 -4.087 -4.495 252 2HG PRO 48 1HG PRO 48 6.347 -3.288 -5.097 253 1HD PRO 48 2HD PRO 48 6.622 -5.850 -3.574 254 2HD PRO 48 1HD PRO 48 5.417 -4.557 -3.396 255 H SER 49 HN SER 49 4.229 -7.823 -6.804 256 HA SER 49 HA SER 49 6.331 -9.784 -6.995 257 1HB SER 49 2HB SER 49 3.850 -9.949 -5.997 258 2HB SER 49 1HB SER 49 3.551 -10.546 -7.628 259 HG SER 49 HG SER 49 4.956 -11.696 -5.548 260 H GLU 50 HN GLU 50 3.811 -8.529 -9.061 261 HA GLU 50 HA GLU 50 4.804 -9.932 -11.358 262 1HB GLU 50 2HB GLU 50 2.861 -9.225 -12.422 263 2HB GLU 50 1HB GLU 50 2.374 -9.535 -10.779 264 1HG GLU 50 2HG GLU 50 2.791 -7.010 -10.466 265 2HG GLU 50 1HG GLU 50 2.647 -6.963 -12.221 266 H ARG 51 HN ARG 51 4.701 -6.695 -10.092 267 HA ARG 51 HA ARG 51 6.683 -5.894 -12.107 268 1HB ARG 51 2HB ARG 51 5.616 -3.507 -11.731 269 2HB ARG 51 1HB ARG 51 4.986 -4.607 -12.943 270 1HG ARG 51 2HG ARG 51 3.130 -5.164 -11.614 271 2HG ARG 51 1HG ARG 51 3.846 -4.447 -10.174 272 1HD ARG 51 2HD ARG 51 2.027 -3.103 -11.288 273 2HD ARG 51 1HD ARG 51 3.548 -2.253 -11.012 274 HE ARG 51 HE ARG 51 3.401 -3.449 -13.607 275 1HH1 ARG 51 1HH1 ARG 51 2.467 -0.642 -11.739 276 2HH1 ARG 51 2HH1 ARG 51 2.361 0.391 -13.123 277 1HH2 ARG 51 1HH2 ARG 51 3.261 -2.083 -15.418 278 2HH2 ARG 51 2HH2 ARG 51 2.810 -0.424 -15.209 279 HA PRO 52 HA PRO 52 8.685 -4.509 -8.351 280 1HB PRO 52 2HB PRO 52 11.131 -4.199 -9.340 281 2HB PRO 52 1HB PRO 52 10.393 -5.805 -9.288 282 1HG PRO 52 2HG PRO 52 10.848 -4.013 -11.605 283 2HG PRO 52 1HG PRO 52 10.758 -5.780 -11.550 284 1HD PRO 52 2HD PRO 52 8.678 -3.922 -12.248 285 2HD PRO 52 1HD PRO 52 8.587 -5.691 -12.177 286 H GLY 53 HN GLY 53 8.083 -2.547 -7.658 287 1HA GLY 53 2HA GLY 53 9.227 -0.292 -7.546 288 2HA GLY 53 1HA GLY 53 8.868 -0.201 -9.259 289 H TRP 54 HN TRP 54 6.307 -1.746 -8.227 290 HA TRP 54 HA TRP 54 4.793 0.663 -7.762 291 1HB TRP 54 2HB TRP 54 3.085 -0.241 -8.963 292 2HB TRP 54 1HB TRP 54 4.444 -1.010 -9.733 293 HD1 TRP 54 1HD TRP 54 4.907 -3.365 -7.615 294 HE1 TRP 54 1HE TRP 54 3.178 -5.283 -7.473 295 HE3 TRP 54 3HE TRP 54 0.944 -0.992 -9.709 296 HZ2 TRP 54 2HZ TRP 54 0.470 -5.712 -8.180 297 HZ3 TRP 54 3HZ TRP 54 -1.195 -2.204 -9.955 298 HH2 TRP 54 2HH TRP 54 -1.423 -4.516 -9.199 299 H CYS 55 HN CYS 55 2.814 0.509 -6.438 300 HA CYS 55 HA CYS 55 2.584 -1.612 -4.533 301 1HB CYS 55 2HB CYS 55 4.355 0.299 -3.753 302 2HB CYS 55 1HB CYS 55 2.882 0.867 -3.008 303 HG CYS 55 HG CYS 55 4.419 -0.951 -1.605 304 H LEU 56 HN LEU 56 0.766 -1.388 -3.142 305 HA LEU 56 HA LEU 56 -1.283 0.379 -4.286 306 1HB LEU 56 2HB LEU 56 -1.325 -2.406 -3.218 307 2HB LEU 56 1HB LEU 56 -2.783 -1.453 -3.260 308 HG LEU 56 HG LEU 56 -2.877 -1.436 -5.586 309 1HD1 LEU 56 1HD1 LEU 56 0.049 -2.171 -5.554 310 2HD1 LEU 56 2HD1 LEU 56 -0.690 -0.697 -6.181 311 3HD1 LEU 56 3HD1 LEU 56 -0.950 -2.233 -7.007 312 1HD2 LEU 56 1HD2 LEU 56 -2.101 -3.892 -6.189 313 2HD2 LEU 56 2HD2 LEU 56 -3.506 -3.579 -5.171 314 3HD2 LEU 56 3HD2 LEU 56 -1.962 -4.002 -4.437 315 H VAL 57 HN VAL 57 -3.007 1.107 -2.833 316 HA VAL 57 HA VAL 57 -2.241 1.128 0.006 317 HB VAL 57 HB VAL 57 -3.113 3.624 -0.111 318 1HG1 VAL 57 1HG1 VAL 57 -0.516 4.049 -0.914 319 2HG1 VAL 57 2HG1 VAL 57 -0.488 2.401 -0.290 320 3HG1 VAL 57 3HG1 VAL 57 -1.051 3.723 0.730 321 1HG2 VAL 57 1HG2 VAL 57 -3.360 3.182 -2.709 322 2HG2 VAL 57 2HG2 VAL 57 -1.686 3.740 -2.679 323 3HG2 VAL 57 3HG2 VAL 57 -2.970 4.764 -2.037 324 H ARG 58 HN ARG 58 -3.938 0.504 1.239 325 HA ARG 58 HA ARG 58 -6.642 1.148 0.300 326 1HB ARG 58 2HB ARG 58 -6.830 -1.089 0.096 327 2HB ARG 58 1HB ARG 58 -5.480 -1.412 1.159 328 1HG ARG 58 2HG ARG 58 -6.825 -1.874 2.886 329 2HG ARG 58 1HG ARG 58 -7.840 -0.464 2.599 330 1HD ARG 58 2HD ARG 58 -7.995 -2.949 0.929 331 2HD ARG 58 1HD ARG 58 -8.974 -2.686 2.373 332 HE ARG 58 HE ARG 58 -9.076 -0.561 0.399 333 1HH1 ARG 58 1HH1 ARG 58 -10.525 -3.558 1.563 334 2HH1 ARG 58 2HH1 ARG 58 -12.071 -3.232 0.862 335 1HH2 ARG 58 1HH2 ARG 58 -11.167 -0.179 -0.532 336 2HH2 ARG 58 2HH2 ARG 58 -12.431 -1.335 -0.316 337 H THR 59 HN THR 59 -8.182 1.837 1.876 338 HA THR 59 HA THR 59 -6.968 2.507 4.477 339 HB THR 59 HB THR 59 -7.525 4.497 3.238 340 HG1 THR 59 1HG THR 59 -8.054 5.096 5.180 341 1HG2 THR 59 1HG2 THR 59 -9.247 3.509 1.762 342 2HG2 THR 59 2HG2 THR 59 -9.707 5.057 2.471 343 3HG2 THR 59 3HG2 THR 59 -10.374 3.557 3.117 344 H THR 60 HN THR 60 -7.857 1.732 6.263 345 HA THR 60 HA THR 60 -10.440 0.341 6.029 346 HB THR 60 HB THR 60 -8.687 -0.525 8.216 347 HG1 THR 60 1HG THR 60 -7.901 -0.826 5.521 348 1HG2 THR 60 1HG2 THR 60 -10.593 -1.839 7.809 349 2HG2 THR 60 2HG2 THR 60 -9.216 -2.769 7.216 350 3HG2 THR 60 3HG2 THR 60 -10.259 -1.917 6.078 351 H GLU 61 HN GLU 61 -8.693 2.808 7.659 352 HA GLU 61 HA GLU 61 -10.461 2.791 9.965 353 1HB GLU 61 2HB GLU 61 -7.867 3.461 9.776 354 2HB GLU 61 1HB GLU 61 -8.587 5.045 9.523 355 1HG GLU 61 2HG GLU 61 -8.031 4.673 11.862 356 2HG GLU 61 1HG GLU 61 -9.768 4.871 11.634 357 H ARG 62 HN ARG 62 -11.249 3.452 7.088 358 HA ARG 62 HA ARG 62 -12.838 5.789 7.712 359 1HB ARG 62 2HB ARG 62 -10.846 5.456 5.530 360 2HB ARG 62 1HB ARG 62 -12.374 6.196 5.095 361 1HG ARG 62 2HG ARG 62 -12.043 7.902 6.806 362 2HG ARG 62 1HG ARG 62 -10.511 7.147 7.254 363 1HD ARG 62 2HD ARG 62 -9.801 7.490 4.845 364 2HD ARG 62 1HD ARG 62 -11.224 8.516 4.670 365 HE ARG 62 HE ARG 62 -8.766 9.190 5.956 366 1HH1 ARG 62 1HH1 ARG 62 -12.211 9.803 6.003 367 2HH1 ARG 62 2HH1 ARG 62 -12.043 11.367 6.725 368 1HH2 ARG 62 1HH2 ARG 62 -8.556 11.244 6.905 369 2HH2 ARG 62 2HH2 ARG 62 -9.972 12.185 7.236 370 H SER 63 HN SER 63 -14.670 4.567 7.882 371 HA SER 63 HA SER 63 -15.273 2.497 5.990 372 1HB SER 63 2HB SER 63 -17.391 2.275 7.272 373 2HB SER 63 1HB SER 63 -15.959 2.216 8.300 374 HG SER 63 HG SER 63 -17.597 4.494 7.862 375 HA PRO 64 HA PRO 64 -16.359 1.559 4.569 376 1HB PRO 64 2HB PRO 64 -16.619 1.399 1.911 377 2HB PRO 64 1HB PRO 64 -18.032 1.444 2.973 378 1HG PRO 64 2HG PRO 64 -16.799 3.648 1.366 379 2HG PRO 64 1HG PRO 64 -18.511 3.247 1.589 380 1HD PRO 64 2HD PRO 64 -17.204 5.227 2.970 381 2HD PRO 64 1HD PRO 64 -18.642 4.380 3.570 382 HA PRO 65 HA PRO 65 -11.979 1.952 3.751 383 1HB PRO 65 2HB PRO 65 -11.642 -0.490 2.439 384 2HB PRO 65 1HB PRO 65 -11.534 -0.232 4.182 385 1HG PRO 65 2HG PRO 65 -13.819 -1.251 2.557 386 2HG PRO 65 1HG PRO 65 -13.276 -1.748 4.171 387 1HD PRO 65 2HD PRO 65 -15.428 -0.195 3.861 388 2HD PRO 65 1HD PRO 65 -14.298 0.071 5.206 389 H GLN 66 HN GLN 66 -10.454 1.825 1.879 390 HA GLN 66 HA GLN 66 -11.708 2.014 -0.698 391 1HB GLN 66 2HB GLN 66 -11.209 4.268 0.794 392 2HB GLN 66 1HB GLN 66 -9.778 4.152 -0.215 393 1HG GLN 66 2HG GLN 66 -11.025 4.279 -2.183 394 2HG GLN 66 1HG GLN 66 -12.532 3.946 -1.337 395 1HE2 GLN 66 1HE2 GLN 66 -10.014 6.209 -0.363 396 2HE2 GLN 66 2HE2 GLN 66 -10.979 7.632 -0.513 397 H GLU 67 HN GLU 67 -9.964 2.159 -2.438 398 HA GLU 67 HA GLU 67 -7.457 0.995 -1.508 399 1HB GLU 67 2HB GLU 67 -8.430 -0.165 -4.026 400 2HB GLU 67 1HB GLU 67 -7.550 -0.910 -2.720 401 1HG GLU 67 2HG GLU 67 -9.465 -1.458 -1.565 402 2HG GLU 67 1HG GLU 67 -10.441 -0.242 -2.384 403 H GLY 68 HN GLY 68 -5.709 1.282 -2.882 404 1HA GLY 68 2HA GLY 68 -6.123 3.125 -5.154 405 2HA GLY 68 1HA GLY 68 -5.074 3.623 -3.849 406 H LEU 69 HN LEU 69 -4.030 3.673 -6.251 407 HA LEU 69 HA LEU 69 -2.036 1.566 -6.137 408 1HB LEU 69 2HB LEU 69 -3.942 1.977 -8.359 409 2HB LEU 69 1HB LEU 69 -2.273 1.673 -8.802 410 HG LEU 69 HG LEU 69 -2.501 -0.311 -7.117 411 1HD1 LEU 69 1HD1 LEU 69 -5.216 0.660 -7.323 412 2HD1 LEU 69 2HD1 LEU 69 -4.532 -0.555 -6.245 413 3HD1 LEU 69 3HD1 LEU 69 -5.089 -1.018 -7.851 414 1HD2 LEU 69 1HD2 LEU 69 -3.832 -0.527 -9.801 415 2HD2 LEU 69 2HD2 LEU 69 -2.909 -1.757 -8.939 416 3HD2 LEU 69 3HD2 LEU 69 -2.090 -0.343 -9.601 417 H VAL 70 HN VAL 70 -0.068 2.267 -6.458 418 HA VAL 70 HA VAL 70 0.581 4.482 -8.160 419 HB VAL 70 HB VAL 70 1.883 5.480 -6.010 420 1HG1 VAL 70 1HG1 VAL 70 -0.361 6.981 -5.891 421 2HG1 VAL 70 2HG1 VAL 70 -0.587 6.166 -7.439 422 3HG1 VAL 70 3HG1 VAL 70 0.867 7.122 -7.150 423 1HG2 VAL 70 1HG2 VAL 70 0.366 3.770 -4.658 424 2HG2 VAL 70 2HG2 VAL 70 -0.783 5.104 -4.759 425 3HG2 VAL 70 3HG2 VAL 70 0.795 5.354 -4.012 426 HA PRO 71 HA PRO 71 4.340 2.263 -7.843 427 1HB PRO 71 2HB PRO 71 6.297 4.075 -8.309 428 2HB PRO 71 1HB PRO 71 5.218 3.440 -9.555 429 1HG PRO 71 2HG PRO 71 5.292 6.115 -8.379 430 2HG PRO 71 1HG PRO 71 4.441 5.557 -9.826 431 1HD PRO 71 2HD PRO 71 3.393 6.003 -7.156 432 2HD PRO 71 1HD PRO 71 2.509 5.635 -8.641 433 H SER 72 HN SER 72 6.050 1.664 -6.554 434 HA SER 72 HA SER 72 5.905 2.059 -3.868 435 1HB SER 72 2HB SER 72 7.179 0.233 -4.923 436 2HB SER 72 1HB SER 72 8.415 1.388 -5.423 437 HG SER 72 HG SER 72 7.762 0.491 -2.834 438 H SER 73 HN SER 73 7.473 4.103 -6.212 439 HA SER 73 HA SER 73 9.238 5.508 -4.561 440 1HB SER 73 2HB SER 73 7.801 6.149 -7.111 441 2HB SER 73 1HB SER 73 8.671 7.431 -6.268 442 HG SER 73 HG SER 73 9.633 5.284 -7.685 443 H THR 74 HN THR 74 5.758 5.769 -5.009 444 HA THR 74 HA THR 74 5.642 8.101 -3.252 445 HB THR 74 HB THR 74 3.561 8.521 -4.135 446 HG1 THR 74 1HG THR 74 3.373 5.775 -4.718 447 1HG2 THR 74 1HG2 THR 74 5.111 8.672 -5.967 448 2HG2 THR 74 2HG2 THR 74 3.546 8.089 -6.527 449 3HG2 THR 74 3HG2 THR 74 4.884 6.962 -6.309 450 H LEU 75 HN LEU 75 5.610 4.799 -2.981 451 HA LEU 75 HA LEU 75 3.931 4.850 -0.606 452 1HB LEU 75 2HB LEU 75 4.513 2.563 -2.480 453 2HB LEU 75 1HB LEU 75 3.548 2.458 -1.022 454 HG LEU 75 HG LEU 75 2.443 4.545 -2.576 455 1HD1 LEU 75 1HD1 LEU 75 1.989 2.367 -4.374 456 2HD1 LEU 75 2HD1 LEU 75 3.713 2.685 -4.278 457 3HD1 LEU 75 3HD1 LEU 75 2.602 3.976 -4.721 458 1HD2 LEU 75 1HD2 LEU 75 1.324 1.764 -2.294 459 2HD2 LEU 75 2HD2 LEU 75 0.451 3.283 -2.458 460 3HD2 LEU 75 3HD2 LEU 75 1.336 2.930 -0.973 461 H CYS 76 HN CYS 76 4.610 2.721 0.664 462 HA CYS 76 HA CYS 76 7.097 3.266 1.837 463 1HB CYS 76 2HB CYS 76 5.226 2.081 2.977 464 2HB CYS 76 1HB CYS 76 5.560 0.666 1.986 465 HG CYS 76 HG CYS 76 7.649 0.201 3.313 466 H ILE 77 HN ILE 77 9.103 2.744 1.274 467 HA ILE 77 HA ILE 77 9.480 0.719 -0.818 468 HB ILE 77 HB ILE 77 11.611 1.800 -1.321 469 1HG1 ILE 77 2HG1 ILE 77 10.818 3.770 0.843 470 2HG1 ILE 77 1HG1 ILE 77 12.163 2.636 0.920 471 1HG2 ILE 77 1HG2 ILE 77 9.714 4.081 -1.251 472 2HG2 ILE 77 2HG2 ILE 77 9.223 2.617 -2.103 473 3HG2 ILE 77 3HG2 ILE 77 10.697 3.463 -2.579 474 1HD1 ILE 77 1HD1 ILE 77 13.501 4.064 -0.107 475 2HD1 ILE 77 2HD1 ILE 77 12.216 5.266 0.019 476 3HD1 ILE 77 3HD1 ILE 77 12.357 4.273 -1.432 477 H SER 78 HN SER 78 10.659 1.842 2.270 478 HA SER 78 HA SER 78 11.291 -0.718 3.233 479 1HB SER 78 2HB SER 78 13.731 -0.650 3.251 480 2HB SER 78 1HB SER 78 13.141 -0.561 1.591 481 HG SER 78 HG SER 78 14.278 1.458 3.188 482 H HIS 79 HN HIS 79 11.161 -0.578 5.374 483 HA HIS 79 HA HIS 79 12.002 1.921 6.681 484 1HB HIS 79 2HB HIS 79 9.391 1.298 6.376 485 2HB HIS 79 1HB HIS 79 9.724 0.460 7.889 486 HD1 HIS 79 1HD HIS 79 10.195 3.944 6.429 487 HD2 HIS 79 2HD HIS 79 9.493 2.055 10.062 488 HE1 HIS 79 1HE HIS 79 9.866 5.796 8.097 489 HE2 HIS 79 2HE HIS 79 9.355 4.629 10.270 490 H SER 80 HN SER 80 11.132 -1.487 7.216 491 HA SER 80 HA SER 80 12.575 -1.604 9.702 492 1HB SER 80 2HB SER 80 12.130 -4.198 9.146 493 2HB SER 80 1HB SER 80 10.889 -3.142 9.821 494 HG SER 80 HG SER 80 9.815 -3.732 8.110 Start of MODEL 11 1 H SER 14 HN SER 14 -9.390 -13.872 -0.957 2 HA SER 14 HA SER 14 -7.167 -13.637 -1.377 3 1HB SER 14 2HB SER 14 -8.189 -11.038 -2.522 4 2HB SER 14 1HB SER 14 -6.493 -11.509 -2.615 5 HG SER 14 HG SER 14 -7.628 -12.154 -4.477 6 H GLY 15 HN GLY 15 -6.361 -13.665 0.690 7 1HA GLY 15 2HA GLY 15 -6.377 -11.314 2.352 8 2HA GLY 15 1HA GLY 15 -5.592 -12.843 2.714 9 H GLY 16 HN GLY 16 -4.229 -10.697 3.444 10 1HA GLY 16 2HA GLY 16 -1.813 -10.494 3.110 11 2HA GLY 16 1HA GLY 16 -2.124 -10.474 1.381 12 H CYS 17 HN CYS 17 -2.373 -8.642 4.359 13 HA CYS 17 HA CYS 17 -2.357 -6.184 2.772 14 1HB CYS 17 2HB CYS 17 -3.778 -5.212 4.741 15 2HB CYS 17 1HB CYS 17 -4.568 -6.070 3.428 16 HG CYS 17 HG CYS 17 -5.452 -6.858 5.805 17 H GLU 18 HN GLU 18 -0.841 -4.793 3.377 18 HA GLU 18 HA GLU 18 0.326 -5.081 6.061 19 1HB GLU 18 2HB GLU 18 1.853 -6.105 4.463 20 2HB GLU 18 1HB GLU 18 1.837 -4.650 3.478 21 1HG GLU 18 2HG GLU 18 3.868 -4.740 4.754 22 2HG GLU 18 1HG GLU 18 2.866 -3.414 5.341 23 H LEU 19 HN LEU 19 1.081 -3.184 6.999 24 HA LEU 19 HA LEU 19 -0.279 -0.820 6.082 25 1HB LEU 19 2HB LEU 19 1.698 -0.495 8.233 26 2HB LEU 19 1HB LEU 19 0.060 0.101 8.114 27 HG LEU 19 HG LEU 19 0.944 -2.629 9.003 28 1HD1 LEU 19 1HD1 LEU 19 -0.365 -1.969 11.029 29 2HD1 LEU 19 2HD1 LEU 19 -0.489 -0.350 10.341 30 3HD1 LEU 19 3HD1 LEU 19 1.093 -1.018 10.746 31 1HD2 LEU 19 1HD2 LEU 19 -1.654 -1.707 7.942 32 2HD2 LEU 19 2HD2 LEU 19 -1.700 -2.686 9.410 33 3HD2 LEU 19 3HD2 LEU 19 -0.940 -3.320 7.951 34 H THR 20 HN THR 20 0.495 0.797 4.973 35 HA THR 20 HA THR 20 3.381 1.134 4.670 36 HB THR 20 HB THR 20 2.644 -0.250 2.772 37 HG1 THR 20 1HG THR 20 3.193 2.400 1.937 38 1HG2 THR 20 1HG2 THR 20 0.738 2.009 2.275 39 2HG2 THR 20 2HG2 THR 20 0.396 0.283 2.397 40 3HG2 THR 20 3HG2 THR 20 1.265 0.915 0.997 41 H VAL 21 HN VAL 21 4.009 3.226 3.970 42 HA VAL 21 HA VAL 21 1.916 5.265 4.294 43 HB VAL 21 HB VAL 21 3.885 6.753 4.998 44 1HG1 VAL 21 1HG1 VAL 21 2.538 4.665 6.616 45 2HG1 VAL 21 2HG1 VAL 21 2.407 6.422 6.700 46 3HG1 VAL 21 3HG1 VAL 21 3.821 5.610 7.372 47 1HG2 VAL 21 1HG2 VAL 21 5.698 5.498 6.187 48 2HG2 VAL 21 2HG2 VAL 21 5.751 5.400 4.428 49 3HG2 VAL 21 3HG2 VAL 21 5.132 4.044 5.370 50 H VAL 22 HN VAL 22 1.833 6.866 2.778 51 HA VAL 22 HA VAL 22 3.259 6.381 0.354 52 HB VAL 22 HB VAL 22 2.040 8.634 -0.262 53 1HG1 VAL 22 1HG1 VAL 22 -0.088 6.920 -0.406 54 2HG1 VAL 22 2HG1 VAL 22 1.298 5.836 -0.293 55 3HG1 VAL 22 3HG1 VAL 22 1.226 7.046 -1.574 56 1HG2 VAL 22 1HG2 VAL 22 0.157 7.627 1.834 57 2HG2 VAL 22 2HG2 VAL 22 0.058 9.114 0.894 58 3HG2 VAL 22 3HG2 VAL 22 1.293 8.940 2.141 59 H LEU 23 HN LEU 23 5.001 7.367 -0.391 60 HA LEU 23 HA LEU 23 6.366 9.208 1.310 61 1HB LEU 23 2HB LEU 23 7.371 8.538 -1.415 62 2HB LEU 23 1HB LEU 23 8.270 8.801 0.065 63 HG LEU 23 HG LEU 23 6.715 6.331 -0.697 64 1HD1 LEU 23 1HD1 LEU 23 9.091 6.875 -1.596 65 2HD1 LEU 23 2HD1 LEU 23 8.746 5.269 -0.956 66 3HD1 LEU 23 3HD1 LEU 23 9.607 6.446 0.035 67 1HD2 LEU 23 1HD2 LEU 23 7.216 5.398 1.414 68 2HD2 LEU 23 2HD2 LEU 23 6.532 6.991 1.739 69 3HD2 LEU 23 3HD2 LEU 23 8.275 6.742 1.841 70 H GLN 24 HN GLN 24 4.379 9.446 -1.506 71 HA GLN 24 HA GLN 24 4.764 12.323 -1.484 72 1HB GLN 24 2HB GLN 24 5.262 12.486 -3.771 73 2HB GLN 24 1HB GLN 24 6.262 11.183 -3.177 74 1HG GLN 24 2HG GLN 24 5.180 9.606 -4.338 75 2HG GLN 24 1HG GLN 24 3.655 10.483 -4.386 76 1HE2 GLN 24 1HE2 GLN 24 7.004 10.953 -5.470 77 2HE2 GLN 24 2HE2 GLN 24 6.593 11.508 -7.054 78 H ASP 25 HN ASP 25 2.953 13.498 -2.330 79 HA ASP 25 HA ASP 25 0.463 12.204 -1.877 80 1HB ASP 25 2HB ASP 25 0.104 14.622 -3.438 81 2HB ASP 25 1HB ASP 25 -0.422 14.257 -1.814 82 H PHE 26 HN PHE 26 -1.140 11.697 -3.303 83 HA PHE 26 HA PHE 26 -0.575 11.723 -6.155 84 1HB PHE 26 2HB PHE 26 0.299 9.565 -5.245 85 2HB PHE 26 1HB PHE 26 -1.333 9.157 -4.770 86 HD1 PHE 26 1HD PHE 26 -2.948 8.409 -6.336 87 HD2 PHE 26 2HD PHE 26 0.860 9.778 -7.650 88 HE1 PHE 26 1HE PHE 26 -3.395 7.496 -8.575 89 HE2 PHE 26 2HE PHE 26 0.420 8.869 -9.892 90 HZ PHE 26 HZ PHE 26 -1.710 7.726 -10.357 91 H SER 27 HN SER 27 -2.412 11.341 -7.456 92 HA SER 27 HA SER 27 -4.960 11.477 -6.045 93 1HB SER 27 2HB SER 27 -5.488 12.830 -8.289 94 2HB SER 27 1HB SER 27 -4.884 13.616 -6.842 95 HG SER 27 HG SER 27 -2.960 13.866 -7.761 96 H ALA 28 HN ALA 28 -6.504 10.168 -6.868 97 HA ALA 28 HA ALA 28 -5.940 7.916 -8.243 98 1HB ALA 28 1HB ALA 28 -8.204 7.450 -8.214 99 2HB ALA 28 2HB ALA 28 -8.648 9.135 -8.468 100 3HB ALA 28 3HB ALA 28 -8.020 8.617 -6.909 101 H ALA 29 HN ALA 29 -7.491 7.318 -10.209 102 HA ALA 29 HA ALA 29 -7.921 8.976 -12.360 103 1HB ALA 29 1HB ALA 29 -5.993 9.364 -13.417 104 2HB ALA 29 2HB ALA 29 -5.509 7.672 -13.307 105 3HB ALA 29 3HB ALA 29 -5.168 8.774 -11.975 106 H HIS 30 HN HIS 30 -6.900 5.824 -11.205 107 HA HIS 30 HA HIS 30 -8.253 4.566 -13.478 108 1HB HIS 30 2HB HIS 30 -5.800 4.000 -12.430 109 2HB HIS 30 1HB HIS 30 -6.809 2.810 -11.613 110 HD1 HIS 30 1HD HIS 30 -7.457 0.781 -12.928 111 HD2 HIS 30 2HD HIS 30 -5.908 3.800 -15.326 112 HE1 HIS 30 1HE HIS 30 -7.202 -0.239 -15.212 113 HE2 HIS 30 2HE HIS 30 -6.179 1.579 -16.624 114 H SER 31 HN SER 31 -9.100 2.292 -12.756 115 HA SER 31 HA SER 31 -11.538 2.523 -11.643 116 1HB SER 31 2HB SER 31 -9.654 0.209 -11.813 117 2HB SER 31 1HB SER 31 -11.178 0.013 -10.947 118 HG SER 31 HG SER 31 -12.244 0.714 -12.860 119 H SER 32 HN SER 32 -9.137 0.769 -9.704 120 HA SER 32 HA SER 32 -10.486 1.716 -7.309 121 1HB SER 32 2HB SER 32 -8.859 0.048 -6.206 122 2HB SER 32 1HB SER 32 -10.135 -0.605 -7.233 123 HG SER 32 HG SER 32 -8.680 -1.034 -8.794 124 H GLU 33 HN GLU 33 -9.091 3.780 -8.558 125 HA GLU 33 HA GLU 33 -6.625 4.079 -7.035 126 1HB GLU 33 2HB GLU 33 -7.743 5.263 -9.509 127 2HB GLU 33 1HB GLU 33 -6.700 6.277 -8.539 128 1HG GLU 33 2HG GLU 33 -5.288 4.002 -8.599 129 2HG GLU 33 1HG GLU 33 -6.078 3.970 -10.167 130 H LEU 34 HN LEU 34 -6.237 6.003 -5.830 131 HA LEU 34 HA LEU 34 -8.458 7.749 -5.271 132 1HB LEU 34 2HB LEU 34 -7.873 7.324 -2.736 133 2HB LEU 34 1HB LEU 34 -9.119 6.441 -3.587 134 HG LEU 34 HG LEU 34 -7.263 4.667 -4.010 135 1HD1 LEU 34 1HD1 LEU 34 -6.112 6.317 -1.767 136 2HD1 LEU 34 2HD1 LEU 34 -5.337 5.845 -3.280 137 3HD1 LEU 34 3HD1 LEU 34 -5.681 4.631 -2.048 138 1HD2 LEU 34 1HD2 LEU 34 -8.622 5.273 -1.398 139 2HD2 LEU 34 2HD2 LEU 34 -7.726 3.778 -1.669 140 3HD2 LEU 34 3HD2 LEU 34 -9.134 4.157 -2.662 141 H SER 35 HN SER 35 -7.827 9.509 -3.794 142 HA SER 35 HA SER 35 -5.188 10.420 -4.448 143 1HB SER 35 2HB SER 35 -6.219 12.490 -3.114 144 2HB SER 35 1HB SER 35 -6.592 12.193 -4.811 145 HG SER 35 HG SER 35 -8.152 11.585 -2.531 146 H ILE 36 HN ILE 36 -3.592 10.600 -3.132 147 HA ILE 36 HA ILE 36 -3.999 10.253 -0.246 148 HB ILE 36 HB ILE 36 -1.883 8.930 -0.175 149 1HG1 ILE 36 2HG1 ILE 36 -1.610 7.805 -2.630 150 2HG1 ILE 36 1HG1 ILE 36 -2.068 9.439 -3.074 151 1HG2 ILE 36 1HG2 ILE 36 -4.258 7.868 -1.679 152 2HG2 ILE 36 2HG2 ILE 36 -3.880 7.696 0.034 153 3HG2 ILE 36 3HG2 ILE 36 -2.921 6.837 -1.170 154 1HD1 ILE 36 1HD1 ILE 36 0.083 9.090 -1.075 155 2HD1 ILE 36 2HD1 ILE 36 -0.141 10.346 -2.283 156 3HD1 ILE 36 3HD1 ILE 36 0.439 8.754 -2.766 157 H GLN 37 HN GLN 37 -2.051 10.915 0.987 158 HA GLN 37 HA GLN 37 -0.558 13.055 -0.300 159 1HB GLN 37 2HB GLN 37 -2.323 13.132 2.066 160 2HB GLN 37 1HB GLN 37 -0.814 14.008 2.194 161 1HG GLN 37 2HG GLN 37 -1.578 15.669 0.940 162 2HG GLN 37 1HG GLN 37 -2.092 14.551 -0.323 163 1HE2 GLN 37 1HE2 GLN 37 -3.241 16.979 1.263 164 2HE2 GLN 37 2HE2 GLN 37 -4.866 16.486 1.577 165 H VAL 38 HN VAL 38 1.486 13.454 0.510 166 HA VAL 38 HA VAL 38 2.952 11.218 1.374 167 HB VAL 38 HB VAL 38 3.973 13.037 0.116 168 1HG1 VAL 38 1HG1 VAL 38 4.024 15.212 0.719 169 2HG1 VAL 38 2HG1 VAL 38 4.130 14.848 2.441 170 3HG1 VAL 38 3HG1 VAL 38 2.577 14.742 1.611 171 1HG2 VAL 38 1HG2 VAL 38 5.337 13.063 2.789 172 2HG2 VAL 38 2HG2 VAL 38 6.057 13.077 1.179 173 3HG2 VAL 38 3HG2 VAL 38 5.297 11.608 1.793 174 H GLY 39 HN GLY 39 3.081 10.336 3.361 175 1HA GLY 39 2HA GLY 39 3.882 10.757 5.641 176 2HA GLY 39 1HA GLY 39 2.815 12.142 5.687 177 H GLN 40 HN GLN 40 0.680 10.446 4.351 178 HA GLN 40 HA GLN 40 -0.468 9.542 6.776 179 1HB GLN 40 2HB GLN 40 -2.420 9.153 5.533 180 2HB GLN 40 1HB GLN 40 -1.722 10.637 4.957 181 1HG GLN 40 2HG GLN 40 -0.743 9.401 3.099 182 2HG GLN 40 1HG GLN 40 -1.567 7.956 3.661 183 1HE2 GLN 40 1HE2 GLN 40 -3.171 7.539 2.316 184 2HE2 GLN 40 2HE2 GLN 40 -4.312 8.686 1.711 185 H THR 41 HN THR 41 -1.588 7.412 6.888 186 HA THR 41 HA THR 41 0.142 5.303 5.788 187 HB THR 41 HB THR 41 -1.075 5.443 8.545 188 HG1 THR 41 1HG THR 41 0.905 6.244 8.683 189 1HG2 THR 41 1HG2 THR 41 0.176 3.024 7.224 190 2HG2 THR 41 2HG2 THR 41 -1.498 3.180 7.753 191 3HG2 THR 41 3HG2 THR 41 -0.199 3.163 8.943 192 H VAL 42 HN VAL 42 -0.754 3.764 4.737 193 HA VAL 42 HA VAL 42 -3.431 2.921 5.287 194 HB VAL 42 HB VAL 42 -2.945 4.655 3.021 195 1HG1 VAL 42 1HG1 VAL 42 -2.549 2.856 1.629 196 2HG1 VAL 42 2HG1 VAL 42 -4.266 3.198 1.409 197 3HG1 VAL 42 3HG1 VAL 42 -3.739 1.868 2.421 198 1HG2 VAL 42 1HG2 VAL 42 -5.264 3.415 4.421 199 2HG2 VAL 42 2HG2 VAL 42 -5.529 4.116 2.825 200 3HG2 VAL 42 3HG2 VAL 42 -4.898 5.116 4.135 201 H GLU 43 HN GLU 43 -3.767 0.850 4.754 202 HA GLU 43 HA GLU 43 -1.425 -0.726 4.552 203 1HB GLU 43 2HB GLU 43 -2.919 -2.629 4.854 204 2HB GLU 43 1HB GLU 43 -3.274 -1.357 6.014 205 1HG GLU 43 2HG GLU 43 -5.126 -0.607 4.552 206 2HG GLU 43 1HG GLU 43 -4.809 -1.982 3.499 207 H LEU 44 HN LEU 44 -0.495 -1.546 2.800 208 HA LEU 44 HA LEU 44 -1.626 -1.194 0.234 209 1HB LEU 44 2HB LEU 44 0.331 -2.502 -0.547 210 2HB LEU 44 1HB LEU 44 0.697 -1.048 0.320 211 HG LEU 44 HG LEU 44 1.007 -2.635 2.363 212 1HD1 LEU 44 1HD1 LEU 44 1.970 -4.852 1.358 213 2HD1 LEU 44 2HD1 LEU 44 0.833 -4.504 0.055 214 3HD1 LEU 44 3HD1 LEU 44 0.247 -4.695 1.707 215 1HD2 LEU 44 1HD2 LEU 44 3.041 -2.888 0.176 216 2HD2 LEU 44 2HD2 LEU 44 3.300 -2.781 1.917 217 3HD2 LEU 44 3HD2 LEU 44 2.758 -1.365 1.018 218 H LEU 45 HN LEU 45 -2.206 -2.664 -1.239 219 HA LEU 45 HA LEU 45 -3.700 -4.891 -0.212 220 1HB LEU 45 2HB LEU 45 -3.289 -4.333 -3.126 221 2HB LEU 45 1HB LEU 45 -4.670 -5.057 -2.335 222 HG LEU 45 HG LEU 45 -3.949 -2.162 -1.888 223 1HD1 LEU 45 1HD1 LEU 45 -5.848 -1.783 -3.578 224 2HD1 LEU 45 2HD1 LEU 45 -5.483 -3.412 -4.142 225 3HD1 LEU 45 3HD1 LEU 45 -4.246 -2.162 -4.205 226 1HD2 LEU 45 1HD2 LEU 45 -6.504 -2.171 -1.582 227 2HD2 LEU 45 2HD2 LEU 45 -5.482 -2.796 -0.293 228 3HD2 LEU 45 3HD2 LEU 45 -6.313 -3.909 -1.378 229 H GLU 46 HN GLU 46 -1.059 -4.646 -2.641 230 HA GLU 46 HA GLU 46 -0.174 -7.271 -1.792 231 1HB GLU 46 2HB GLU 46 0.319 -7.545 -4.398 232 2HB GLU 46 1HB GLU 46 -1.180 -8.086 -3.671 233 1HG GLU 46 2HG GLU 46 -2.243 -5.986 -4.380 234 2HG GLU 46 1HG GLU 46 -0.733 -5.503 -5.149 235 H ARG 47 HN ARG 47 1.905 -7.680 -3.308 236 HA ARG 47 HA ARG 47 3.647 -5.349 -2.886 237 1HB ARG 47 2HB ARG 47 4.077 -8.284 -2.496 238 2HB ARG 47 1HB ARG 47 5.450 -7.240 -2.828 239 1HG ARG 47 2HG ARG 47 3.653 -6.300 -0.702 240 2HG ARG 47 1HG ARG 47 4.518 -7.798 -0.357 241 1HD ARG 47 2HD ARG 47 6.453 -6.161 -1.468 242 2HD ARG 47 1HD ARG 47 5.496 -5.063 -0.475 243 HE ARG 47 HE ARG 47 7.348 -6.963 0.455 244 1HH1 ARG 47 1HH1 ARG 47 4.173 -5.708 1.221 245 2HH1 ARG 47 2HH1 ARG 47 4.313 -6.056 2.911 246 1HH2 ARG 47 1HH2 ARG 47 7.522 -7.415 2.676 247 2HH2 ARG 47 2HH2 ARG 47 6.210 -7.022 3.736 248 HA PRO 48 HA PRO 48 5.053 -5.348 -7.080 249 1HB PRO 48 2HB PRO 48 7.879 -5.625 -6.301 250 2HB PRO 48 1HB PRO 48 7.061 -4.274 -7.087 251 1HG PRO 48 2HG PRO 48 7.888 -4.119 -4.546 252 2HG PRO 48 1HG PRO 48 6.387 -3.342 -5.087 253 1HD PRO 48 2HD PRO 48 6.759 -5.920 -3.603 254 2HD PRO 48 1HD PRO 48 5.565 -4.629 -3.338 255 H SER 49 HN SER 49 4.153 -7.792 -6.757 256 HA SER 49 HA SER 49 6.202 -9.775 -7.194 257 1HB SER 49 2HB SER 49 3.813 -9.947 -5.995 258 2HB SER 49 1HB SER 49 3.363 -10.466 -7.619 259 HG SER 49 HG SER 49 4.580 -12.220 -7.419 260 H GLU 50 HN GLU 50 3.535 -8.399 -8.979 261 HA GLU 50 HA GLU 50 4.196 -9.740 -11.410 262 1HB GLU 50 2HB GLU 50 2.293 -8.625 -12.293 263 2HB GLU 50 1HB GLU 50 1.892 -9.140 -10.671 264 1HG GLU 50 2HG GLU 50 2.278 -6.911 -9.843 265 2HG GLU 50 1HG GLU 50 2.733 -6.381 -11.460 266 H ARG 51 HN ARG 51 4.552 -6.573 -10.020 267 HA ARG 51 HA ARG 51 6.519 -5.912 -12.089 268 1HB ARG 51 2HB ARG 51 5.650 -3.474 -11.842 269 2HB ARG 51 1HB ARG 51 4.816 -4.584 -12.916 270 1HG ARG 51 2HG ARG 51 3.563 -4.886 -10.438 271 2HG ARG 51 1HG ARG 51 3.847 -3.158 -10.619 272 1HD ARG 51 2HD ARG 51 2.584 -4.842 -12.766 273 2HD ARG 51 1HD ARG 51 1.651 -4.013 -11.521 274 HE ARG 51 HE ARG 51 3.458 -2.298 -12.959 275 1HH1 ARG 51 1HH1 ARG 51 0.250 -3.693 -12.927 276 2HH1 ARG 51 2HH1 ARG 51 -0.429 -2.452 -13.924 277 1HH2 ARG 51 1HH2 ARG 51 2.557 -0.672 -14.268 278 2HH2 ARG 51 2HH2 ARG 51 0.877 -0.740 -14.684 279 HA PRO 52 HA PRO 52 8.619 -4.593 -8.368 280 1HB PRO 52 2HB PRO 52 11.064 -4.366 -9.389 281 2HB PRO 52 1HB PRO 52 10.272 -5.946 -9.323 282 1HG PRO 52 2HG PRO 52 10.761 -4.178 -11.650 283 2HG PRO 52 1HG PRO 52 10.603 -5.940 -11.589 284 1HD PRO 52 2HD PRO 52 8.588 -4.002 -12.266 285 2HD PRO 52 1HD PRO 52 8.429 -5.767 -12.191 286 H GLY 53 HN GLY 53 8.025 -2.615 -7.704 287 1HA GLY 53 2HA GLY 53 9.276 -0.395 -7.599 288 2HA GLY 53 1HA GLY 53 8.868 -0.292 -9.300 289 H TRP 54 HN TRP 54 6.297 -1.765 -8.219 290 HA TRP 54 HA TRP 54 4.857 0.676 -7.706 291 1HB TRP 54 2HB TRP 54 3.092 -0.192 -8.854 292 2HB TRP 54 1HB TRP 54 4.411 -0.996 -9.661 293 HD1 TRP 54 1HD TRP 54 4.875 -3.324 -7.495 294 HE1 TRP 54 1HE TRP 54 3.123 -5.219 -7.306 295 HE3 TRP 54 3HE TRP 54 0.933 -0.937 -9.607 296 HZ2 TRP 54 2HZ TRP 54 0.404 -5.625 -7.995 297 HZ3 TRP 54 3HZ TRP 54 -1.220 -2.127 -9.825 298 HH2 TRP 54 2HH TRP 54 -1.477 -4.422 -9.027 299 H CYS 55 HN CYS 55 2.882 0.552 -6.347 300 HA CYS 55 HA CYS 55 2.680 -1.554 -4.420 301 1HB CYS 55 2HB CYS 55 4.361 0.543 -3.698 302 2HB CYS 55 1HB CYS 55 2.880 0.834 -2.824 303 HG CYS 55 HG CYS 55 4.340 -1.892 -2.568 304 H LEU 56 HN LEU 56 0.844 -1.353 -3.075 305 HA LEU 56 HA LEU 56 -1.205 0.404 -4.237 306 1HB LEU 56 2HB LEU 56 -1.243 -2.379 -3.164 307 2HB LEU 56 1HB LEU 56 -2.706 -1.436 -3.233 308 HG LEU 56 HG LEU 56 -2.797 -1.469 -5.543 309 1HD1 LEU 56 1HD1 LEU 56 -0.688 -0.618 -6.191 310 2HD1 LEU 56 2HD1 LEU 56 -0.807 -2.207 -6.948 311 3HD1 LEU 56 3HD1 LEU 56 0.168 -1.994 -5.493 312 1HD2 LEU 56 1HD2 LEU 56 -3.319 -3.637 -5.170 313 2HD2 LEU 56 2HD2 LEU 56 -1.788 -3.974 -4.367 314 3HD2 LEU 56 3HD2 LEU 56 -1.858 -3.894 -6.126 315 H VAL 57 HN VAL 57 -2.963 1.114 -2.814 316 HA VAL 57 HA VAL 57 -2.230 1.139 0.034 317 HB VAL 57 HB VAL 57 -3.108 3.632 -0.095 318 1HG1 VAL 57 1HG1 VAL 57 -0.479 4.016 -0.887 319 2HG1 VAL 57 2HG1 VAL 57 -0.497 2.400 -0.184 320 3HG1 VAL 57 3HG1 VAL 57 -1.058 3.778 0.758 321 1HG2 VAL 57 1HG2 VAL 57 -3.495 3.380 -2.589 322 2HG2 VAL 57 2HG2 VAL 57 -1.741 3.503 -2.743 323 3HG2 VAL 57 3HG2 VAL 57 -2.659 4.829 -2.028 324 H ARG 58 HN ARG 58 -3.919 0.504 1.249 325 HA ARG 58 HA ARG 58 -6.631 1.130 0.321 326 1HB ARG 58 2HB ARG 58 -6.750 -1.109 0.048 327 2HB ARG 58 1HB ARG 58 -5.446 -1.434 1.165 328 1HG ARG 58 2HG ARG 58 -6.869 -1.964 2.801 329 2HG ARG 58 1HG ARG 58 -7.847 -0.523 2.540 330 1HD ARG 58 2HD ARG 58 -8.003 -2.876 0.698 331 2HD ARG 58 1HD ARG 58 -8.956 -2.785 2.182 332 HE ARG 58 HE ARG 58 -9.133 -0.465 0.458 333 1HH1 ARG 58 1HH1 ARG 58 -10.492 -3.610 1.262 334 2HH1 ARG 58 2HH1 ARG 58 -12.066 -3.229 0.655 335 1HH2 ARG 58 1HH2 ARG 58 -11.260 0.005 -0.339 336 2HH2 ARG 58 2HH2 ARG 58 -12.497 -1.197 -0.247 337 H THR 59 HN THR 59 -8.166 1.795 1.918 338 HA THR 59 HA THR 59 -6.954 2.368 4.542 339 HB THR 59 HB THR 59 -7.450 4.410 3.383 340 HG1 THR 59 1HG THR 59 -8.475 5.311 5.013 341 1HG2 THR 59 1HG2 THR 59 -9.612 5.042 2.595 342 2HG2 THR 59 2HG2 THR 59 -10.304 3.513 3.139 343 3HG2 THR 59 3HG2 THR 59 -9.138 3.532 1.816 344 H THR 60 HN THR 60 -7.883 1.566 6.298 345 HA THR 60 HA THR 60 -10.496 0.244 6.001 346 HB THR 60 HB THR 60 -8.840 -1.458 6.246 347 HG1 THR 60 1HG THR 60 -9.941 -1.038 8.823 348 1HG2 THR 60 1HG2 THR 60 -7.857 -0.126 8.753 349 2HG2 THR 60 2HG2 THR 60 -7.044 -0.026 7.191 350 3HG2 THR 60 3HG2 THR 60 -7.229 -1.587 7.991 351 H GLU 61 HN GLU 61 -8.708 2.619 7.713 352 HA GLU 61 HA GLU 61 -10.457 2.534 10.032 353 1HB GLU 61 2HB GLU 61 -9.069 4.405 10.867 354 2HB GLU 61 1HB GLU 61 -8.117 2.983 10.460 355 1HG GLU 61 2HG GLU 61 -7.024 4.024 8.792 356 2HG GLU 61 1HG GLU 61 -8.435 4.961 8.306 357 H ARG 62 HN ARG 62 -11.258 3.320 7.190 358 HA ARG 62 HA ARG 62 -12.823 5.631 7.931 359 1HB ARG 62 2HB ARG 62 -11.171 6.759 6.723 360 2HB ARG 62 1HB ARG 62 -10.872 5.397 5.660 361 1HG ARG 62 2HG ARG 62 -12.437 6.023 4.188 362 2HG ARG 62 1HG ARG 62 -13.537 6.605 5.438 363 1HD ARG 62 2HD ARG 62 -11.063 8.166 5.092 364 2HD ARG 62 1HD ARG 62 -12.183 8.213 3.731 365 HE ARG 62 HE ARG 62 -13.412 8.696 6.291 366 1HH1 ARG 62 1HH1 ARG 62 -11.798 10.166 3.556 367 2HH1 ARG 62 2HH1 ARG 62 -12.481 11.731 3.842 368 1HH2 ARG 62 1HH2 ARG 62 -14.303 10.755 6.660 369 2HH2 ARG 62 2HH2 ARG 62 -13.899 12.066 5.602 370 H SER 63 HN SER 63 -14.662 4.424 8.022 371 HA SER 63 HA SER 63 -15.264 2.448 6.031 372 1HB SER 63 2HB SER 63 -17.353 3.419 7.923 373 2HB SER 63 1HB SER 63 -16.980 1.774 7.409 374 HG SER 63 HG SER 63 -15.942 3.258 9.489 375 HA PRO 64 HA PRO 64 -16.372 1.583 4.567 376 1HB PRO 64 2HB PRO 64 -16.612 1.555 1.901 377 2HB PRO 64 1HB PRO 64 -18.032 1.567 2.955 378 1HG PRO 64 2HG PRO 64 -16.757 3.832 1.470 379 2HG PRO 64 1HG PRO 64 -18.476 3.441 1.655 380 1HD PRO 64 2HD PRO 64 -17.168 5.335 3.145 381 2HD PRO 64 1HD PRO 64 -18.615 4.468 3.694 382 HA PRO 65 HA PRO 65 -11.982 1.953 3.777 383 1HB PRO 65 2HB PRO 65 -11.657 -0.443 2.399 384 2HB PRO 65 1HB PRO 65 -11.588 -0.254 4.152 385 1HG PRO 65 2HG PRO 65 -13.851 -1.170 2.431 386 2HG PRO 65 1HG PRO 65 -13.345 -1.753 4.028 387 1HD PRO 65 2HD PRO 65 -15.468 -0.155 3.757 388 2HD PRO 65 1HD PRO 65 -14.359 0.028 5.134 389 H GLN 66 HN GLN 66 -10.455 1.864 1.920 390 HA GLN 66 HA GLN 66 -11.681 2.159 -0.664 391 1HB GLN 66 2HB GLN 66 -11.074 4.347 0.934 392 2HB GLN 66 1HB GLN 66 -9.720 4.240 -0.174 393 1HG GLN 66 2HG GLN 66 -11.533 4.024 -1.988 394 2HG GLN 66 1HG GLN 66 -12.608 4.671 -0.750 395 1HE2 GLN 66 1HE2 GLN 66 -10.760 6.408 0.488 396 2HE2 GLN 66 2HE2 GLN 66 -10.429 7.705 -0.605 397 H GLU 67 HN GLU 67 -10.010 2.136 -2.402 398 HA GLU 67 HA GLU 67 -7.483 1.009 -1.475 399 1HB GLU 67 2HB GLU 67 -8.133 -0.345 -3.883 400 2HB GLU 67 1HB GLU 67 -7.868 -1.010 -2.293 401 1HG GLU 67 2HG GLU 67 -10.087 -1.230 -1.854 402 2HG GLU 67 1HG GLU 67 -10.547 0.104 -2.908 403 H GLY 68 HN GLY 68 -5.734 1.283 -2.835 404 1HA GLY 68 2HA GLY 68 -6.169 3.034 -5.177 405 2HA GLY 68 1HA GLY 68 -5.123 3.587 -3.892 406 H LEU 69 HN LEU 69 -4.090 3.566 -6.302 407 HA LEU 69 HA LEU 69 -2.083 1.462 -6.140 408 1HB LEU 69 2HB LEU 69 -3.981 1.871 -8.377 409 2HB LEU 69 1HB LEU 69 -2.314 1.531 -8.802 410 HG LEU 69 HG LEU 69 -2.538 -0.454 -7.173 411 1HD1 LEU 69 1HD1 LEU 69 -4.503 -0.678 -6.153 412 2HD1 LEU 69 2HD1 LEU 69 -5.221 -1.039 -7.720 413 3HD1 LEU 69 3HD1 LEU 69 -5.213 0.617 -7.115 414 1HD2 LEU 69 1HD2 LEU 69 -2.361 -0.454 -9.703 415 2HD2 LEU 69 2HD2 LEU 69 -4.115 -0.642 -9.722 416 3HD2 LEU 69 3HD2 LEU 69 -3.105 -1.871 -8.962 417 H VAL 70 HN VAL 70 -0.105 2.177 -6.465 418 HA VAL 70 HA VAL 70 0.519 4.361 -8.213 419 HB VAL 70 HB VAL 70 1.813 5.373 -6.010 420 1HG1 VAL 70 1HG1 VAL 70 0.625 7.295 -6.411 421 2HG1 VAL 70 2HG1 VAL 70 -0.884 6.432 -6.703 422 3HG1 VAL 70 3HG1 VAL 70 0.392 6.416 -7.921 423 1HG2 VAL 70 1HG2 VAL 70 -0.945 5.234 -4.944 424 2HG2 VAL 70 2HG2 VAL 70 0.596 5.353 -4.096 425 3HG2 VAL 70 3HG2 VAL 70 0.061 3.801 -4.735 426 HA PRO 71 HA PRO 71 4.317 2.220 -7.850 427 1HB PRO 71 2HB PRO 71 6.234 3.991 -8.445 428 2HB PRO 71 1HB PRO 71 5.049 3.425 -9.628 429 1HG PRO 71 2HG PRO 71 5.245 6.047 -8.290 430 2HG PRO 71 1HG PRO 71 4.422 5.616 -9.797 431 1HD PRO 71 2HD PRO 71 3.279 5.952 -7.175 432 2HD PRO 71 1HD PRO 71 2.448 5.562 -8.684 433 H SER 72 HN SER 72 6.151 1.732 -6.641 434 HA SER 72 HA SER 72 6.109 2.079 -3.958 435 1HB SER 72 2HB SER 72 7.507 0.379 -4.735 436 2HB SER 72 1HB SER 72 8.347 1.447 -5.857 437 HG SER 72 HG SER 72 9.783 1.572 -4.336 438 H SER 73 HN SER 73 7.429 4.308 -6.305 439 HA SER 73 HA SER 73 9.112 5.813 -4.659 440 1HB SER 73 2HB SER 73 7.494 7.284 -6.671 441 2HB SER 73 1HB SER 73 9.236 7.287 -6.405 442 HG SER 73 HG SER 73 8.217 6.161 -8.359 443 H THR 74 HN THR 74 5.628 5.758 -4.958 444 HA THR 74 HA THR 74 5.382 8.002 -3.083 445 HB THR 74 HB THR 74 3.415 8.521 -4.085 446 HG1 THR 74 1HG THR 74 2.009 6.975 -3.899 447 1HG2 THR 74 1HG2 THR 74 4.974 8.573 -5.911 448 2HG2 THR 74 2HG2 THR 74 3.386 8.066 -6.476 449 3HG2 THR 74 3HG2 THR 74 4.664 6.878 -6.240 450 H LEU 75 HN LEU 75 5.707 4.799 -2.829 451 HA LEU 75 HA LEU 75 3.901 4.625 -0.554 452 1HB LEU 75 2HB LEU 75 4.334 2.465 -2.600 453 2HB LEU 75 1HB LEU 75 3.363 2.332 -1.160 454 HG LEU 75 HG LEU 75 2.323 4.548 -2.511 455 1HD1 LEU 75 1HD1 LEU 75 2.798 4.284 -4.667 456 2HD1 LEU 75 2HD1 LEU 75 1.791 2.840 -4.641 457 3HD1 LEU 75 3HD1 LEU 75 3.530 2.706 -4.393 458 1HD2 LEU 75 1HD2 LEU 75 1.163 1.781 -2.697 459 2HD2 LEU 75 2HD2 LEU 75 0.326 3.323 -2.553 460 3HD2 LEU 75 3HD2 LEU 75 1.207 2.666 -1.173 461 H CYS 76 HN CYS 76 4.811 3.762 1.181 462 HA CYS 76 HA CYS 76 7.567 3.430 1.427 463 1HB CYS 76 2HB CYS 76 5.782 3.803 3.260 464 2HB CYS 76 1HB CYS 76 5.636 2.049 3.272 465 HG CYS 76 HG CYS 76 7.567 3.407 4.890 466 H ILE 77 HN ILE 77 8.878 1.862 0.794 467 HA ILE 77 HA ILE 77 7.829 -0.873 0.612 468 HB ILE 77 HB ILE 77 8.961 -1.302 -1.443 469 1HG1 ILE 77 2HG1 ILE 77 10.946 0.163 -1.035 470 2HG1 ILE 77 1HG1 ILE 77 10.282 0.321 -2.655 471 1HG2 ILE 77 1HG2 ILE 77 6.737 0.086 -1.282 472 2HG2 ILE 77 2HG2 ILE 77 7.503 -0.241 -2.836 473 3HG2 ILE 77 3HG2 ILE 77 7.719 1.323 -2.059 474 1HD1 ILE 77 1HD1 ILE 77 10.677 2.321 -0.635 475 2HD1 ILE 77 2HD1 ILE 77 8.991 2.274 -1.148 476 3HD1 ILE 77 3HD1 ILE 77 10.268 2.507 -2.341 477 H SER 78 HN SER 78 10.656 1.161 0.975 478 HA SER 78 HA SER 78 12.631 0.871 2.058 479 1HB SER 78 2HB SER 78 12.668 -0.408 3.999 480 2HB SER 78 1HB SER 78 10.938 -0.146 3.783 481 HG SER 78 HG SER 78 10.687 -2.202 3.153 482 H HIS 79 HN HIS 79 14.269 -1.151 2.606 483 HA HIS 79 HA HIS 79 15.747 -2.614 1.687 484 1HB HIS 79 2HB HIS 79 13.157 -3.502 0.469 485 2HB HIS 79 1HB HIS 79 14.666 -4.231 -0.071 486 HD1 HIS 79 1HD HIS 79 12.784 -3.660 3.182 487 HD2 HIS 79 2HD HIS 79 15.484 -6.310 1.465 488 HE1 HIS 79 1HE HIS 79 13.073 -5.509 4.862 489 HE2 HIS 79 2HE HIS 79 14.787 -7.048 3.843 490 H SER 80 HN SER 80 16.760 -0.703 0.744 491 HA SER 80 HA SER 80 16.235 0.227 -1.848 492 1HB SER 80 2HB SER 80 18.991 0.214 -0.632 493 2HB SER 80 1HB SER 80 18.261 1.423 -1.688 494 HG SER 80 HG SER 80 17.055 2.166 -0.021 Start of MODEL 12 1 H SER 14 HN SER 14 -7.750 -14.339 3.970 2 HA SER 14 HA SER 14 -6.203 -14.752 1.627 3 1HB SER 14 2HB SER 14 -7.830 -13.626 0.047 4 2HB SER 14 1HB SER 14 -8.261 -15.269 0.521 5 HG SER 14 HG SER 14 -10.028 -14.504 1.333 6 H GLY 15 HN GLY 15 -6.049 -13.281 4.088 7 1HA GLY 15 2HA GLY 15 -6.606 -10.542 3.775 8 2HA GLY 15 1HA GLY 15 -5.406 -11.220 4.865 9 H GLY 16 HN GLY 16 -3.262 -11.180 4.309 10 1HA GLY 16 2HA GLY 16 -1.365 -10.589 3.155 11 2HA GLY 16 1HA GLY 16 -2.311 -10.708 1.679 12 H CYS 17 HN CYS 17 -2.160 -8.563 4.523 13 HA CYS 17 HA CYS 17 -1.957 -6.282 2.705 14 1HB CYS 17 2HB CYS 17 -3.406 -5.038 4.449 15 2HB CYS 17 1HB CYS 17 -4.210 -6.085 3.289 16 HG CYS 17 HG CYS 17 -5.107 -7.397 5.148 17 H GLU 18 HN GLU 18 -0.530 -4.764 3.325 18 HA GLU 18 HA GLU 18 0.652 -5.020 6.010 19 1HB GLU 18 2HB GLU 18 2.187 -6.019 4.405 20 2HB GLU 18 1HB GLU 18 2.143 -4.564 3.422 21 1HG GLU 18 2HG GLU 18 4.160 -4.474 4.614 22 2HG GLU 18 1HG GLU 18 3.078 -3.340 5.422 23 H LEU 19 HN LEU 19 1.380 -3.112 6.942 24 HA LEU 19 HA LEU 19 -0.039 -0.775 6.052 25 1HB LEU 19 2HB LEU 19 1.976 -0.456 8.176 26 2HB LEU 19 1HB LEU 19 0.346 0.162 8.076 27 HG LEU 19 HG LEU 19 1.152 -2.630 8.868 28 1HD1 LEU 19 1HD1 LEU 19 -0.421 -0.740 10.548 29 2HD1 LEU 19 2HD1 LEU 19 1.331 -0.561 10.452 30 3HD1 LEU 19 3HD1 LEU 19 0.629 -2.072 11.032 31 1HD2 LEU 19 1HD2 LEU 19 -0.990 -2.363 7.477 32 2HD2 LEU 19 2HD2 LEU 19 -1.642 -1.547 8.897 33 3HD2 LEU 19 3HD2 LEU 19 -1.100 -3.221 9.013 34 H THR 20 HN THR 20 0.685 0.883 4.951 35 HA THR 20 HA THR 20 3.558 1.280 4.615 36 HB THR 20 HB THR 20 3.073 0.008 2.673 37 HG1 THR 20 1HG THR 20 2.858 2.709 1.854 38 1HG2 THR 20 1HG2 THR 20 1.319 0.470 1.098 39 2HG2 THR 20 2HG2 THR 20 0.747 1.815 2.084 40 3HG2 THR 20 3HG2 THR 20 0.626 0.164 2.691 41 H VAL 21 HN VAL 21 4.176 3.370 4.145 42 HA VAL 21 HA VAL 21 2.062 5.395 4.438 43 HB VAL 21 HB VAL 21 4.040 6.874 5.160 44 1HG1 VAL 21 1HG1 VAL 21 2.895 4.663 6.830 45 2HG1 VAL 21 2HG1 VAL 21 2.431 6.364 6.781 46 3HG1 VAL 21 3HG1 VAL 21 3.963 5.889 7.513 47 1HG2 VAL 21 1HG2 VAL 21 5.289 4.181 5.680 48 2HG2 VAL 21 2HG2 VAL 21 5.942 5.748 6.155 49 3HG2 VAL 21 3HG2 VAL 21 5.814 5.328 4.447 50 H VAL 22 HN VAL 22 1.851 6.846 2.800 51 HA VAL 22 HA VAL 22 3.385 6.403 0.458 52 HB VAL 22 HB VAL 22 2.063 8.569 -0.273 53 1HG1 VAL 22 1HG1 VAL 22 1.359 5.725 -0.124 54 2HG1 VAL 22 2HG1 VAL 22 1.565 6.777 -1.526 55 3HG1 VAL 22 3HG1 VAL 22 0.072 6.838 -0.589 56 1HG2 VAL 22 1HG2 VAL 22 1.205 8.778 2.159 57 2HG2 VAL 22 2HG2 VAL 22 0.086 7.502 1.682 58 3HG2 VAL 22 3HG2 VAL 22 0.087 9.040 0.821 59 H LEU 23 HN LEU 23 5.138 7.375 -0.209 60 HA LEU 23 HA LEU 23 6.390 9.350 1.390 61 1HB LEU 23 2HB LEU 23 7.427 8.751 -1.328 62 2HB LEU 23 1HB LEU 23 8.302 8.997 0.169 63 HG LEU 23 HG LEU 23 6.844 6.505 -0.697 64 1HD1 LEU 23 1HD1 LEU 23 9.337 5.735 -0.101 65 2HD1 LEU 23 2HD1 LEU 23 9.659 7.387 -0.623 66 3HD1 LEU 23 3HD1 LEU 23 8.846 6.261 -1.710 67 1HD2 LEU 23 1HD2 LEU 23 7.285 5.522 1.383 68 2HD2 LEU 23 2HD2 LEU 23 6.653 7.118 1.783 69 3HD2 LEU 23 3HD2 LEU 23 8.387 6.813 1.860 70 H GLN 24 HN GLN 24 4.394 9.476 -1.450 71 HA GLN 24 HA GLN 24 4.656 12.368 -1.422 72 1HB GLN 24 2HB GLN 24 5.195 12.578 -3.684 73 2HB GLN 24 1HB GLN 24 6.209 11.271 -3.114 74 1HG GLN 24 2HG GLN 24 5.195 9.727 -4.362 75 2HG GLN 24 1HG GLN 24 3.630 10.527 -4.345 76 1HE2 GLN 24 1HE2 GLN 24 3.106 10.878 -6.387 77 2HE2 GLN 24 2HE2 GLN 24 4.121 11.610 -7.579 78 H ASP 25 HN ASP 25 2.824 13.479 -2.267 79 HA ASP 25 HA ASP 25 0.371 12.112 -1.839 80 1HB ASP 25 2HB ASP 25 -0.030 14.540 -3.381 81 2HB ASP 25 1HB ASP 25 -0.578 14.138 -1.774 82 H PHE 26 HN PHE 26 -1.218 11.583 -3.282 83 HA PHE 26 HA PHE 26 -0.639 11.659 -6.131 84 1HB PHE 26 2HB PHE 26 0.262 9.505 -5.272 85 2HB PHE 26 1HB PHE 26 -1.351 9.070 -4.763 86 HD1 PHE 26 1HD PHE 26 -2.988 8.297 -6.292 87 HD2 PHE 26 2HD PHE 26 0.760 9.750 -7.693 88 HE1 PHE 26 1HE PHE 26 -3.474 7.394 -8.527 89 HE2 PHE 26 2HE PHE 26 0.278 8.849 -9.930 90 HZ PHE 26 HZ PHE 26 -1.841 7.669 -10.349 91 H SER 27 HN SER 27 -2.472 11.285 -7.449 92 HA SER 27 HA SER 27 -5.021 11.367 -6.036 93 1HB SER 27 2HB SER 27 -5.563 12.746 -8.261 94 2HB SER 27 1HB SER 27 -4.967 13.519 -6.803 95 HG SER 27 HG SER 27 -3.605 12.904 -9.181 96 H ALA 28 HN ALA 28 -6.558 10.063 -6.885 97 HA ALA 28 HA ALA 28 -5.985 7.825 -8.272 98 1HB ALA 28 1HB ALA 28 -8.688 9.040 -8.538 99 2HB ALA 28 2HB ALA 28 -8.084 8.540 -6.964 100 3HB ALA 28 3HB ALA 28 -8.243 7.361 -8.262 101 H ALA 29 HN ALA 29 -7.515 7.239 -10.257 102 HA ALA 29 HA ALA 29 -7.931 8.893 -12.408 103 1HB ALA 29 1HB ALA 29 -5.821 9.533 -12.924 104 2HB ALA 29 2HB ALA 29 -5.775 7.966 -13.732 105 3HB ALA 29 3HB ALA 29 -5.088 8.147 -12.117 106 H HIS 30 HN HIS 30 -6.899 5.752 -11.246 107 HA HIS 30 HA HIS 30 -8.193 4.481 -13.546 108 1HB HIS 30 2HB HIS 30 -5.759 3.939 -12.413 109 2HB HIS 30 1HB HIS 30 -6.787 2.719 -11.668 110 HD1 HIS 30 1HD HIS 30 -6.583 0.611 -12.925 111 HD2 HIS 30 2HD HIS 30 -6.524 3.912 -15.447 112 HE1 HIS 30 1HE HIS 30 -6.422 -0.325 -15.253 113 HE2 HIS 30 2HE HIS 30 -6.306 1.693 -16.757 114 H SER 31 HN SER 31 -9.035 2.198 -12.836 115 HA SER 31 HA SER 31 -11.499 2.401 -11.789 116 1HB SER 31 2HB SER 31 -10.918 0.369 -12.837 117 2HB SER 31 1HB SER 31 -9.601 0.065 -11.704 118 HG SER 31 HG SER 31 -11.229 -1.198 -10.997 119 H SER 32 HN SER 32 -9.161 0.671 -9.754 120 HA SER 32 HA SER 32 -10.580 1.659 -7.414 121 1HB SER 32 2HB SER 32 -9.476 -0.087 -6.189 122 2HB SER 32 1HB SER 32 -10.034 -0.779 -7.711 123 HG SER 32 HG SER 32 -8.029 -1.060 -8.329 124 H GLU 33 HN GLU 33 -9.113 3.683 -8.657 125 HA GLU 33 HA GLU 33 -6.682 3.978 -7.083 126 1HB GLU 33 2HB GLU 33 -7.766 5.168 -9.568 127 2HB GLU 33 1HB GLU 33 -6.740 6.183 -8.581 128 1HG GLU 33 2HG GLU 33 -5.295 3.951 -8.613 129 2HG GLU 33 1HG GLU 33 -6.092 3.844 -10.174 130 H LEU 34 HN LEU 34 -6.303 5.881 -5.850 131 HA LEU 34 HA LEU 34 -8.510 7.650 -5.337 132 1HB LEU 34 2HB LEU 34 -7.994 7.207 -2.789 133 2HB LEU 34 1HB LEU 34 -9.244 6.365 -3.675 134 HG LEU 34 HG LEU 34 -7.428 4.531 -4.052 135 1HD1 LEU 34 1HD1 LEU 34 -5.521 5.763 -3.243 136 2HD1 LEU 34 2HD1 LEU 34 -5.853 4.415 -2.157 137 3HD1 LEU 34 3HD1 LEU 34 -6.317 6.052 -1.696 138 1HD2 LEU 34 1HD2 LEU 34 -8.904 5.211 -1.536 139 2HD2 LEU 34 2HD2 LEU 34 -7.974 3.719 -1.665 140 3HD2 LEU 34 3HD2 LEU 34 -9.319 4.023 -2.767 141 H SER 35 HN SER 35 -7.897 9.393 -3.836 142 HA SER 35 HA SER 35 -5.247 10.288 -4.449 143 1HB SER 35 2HB SER 35 -6.270 12.347 -3.091 144 2HB SER 35 1HB SER 35 -6.638 12.073 -4.792 145 HG SER 35 HG SER 35 -8.588 11.229 -4.237 146 H ILE 36 HN ILE 36 -3.652 10.447 -3.131 147 HA ILE 36 HA ILE 36 -4.065 10.066 -0.248 148 HB ILE 36 HB ILE 36 -1.924 8.776 -0.188 149 1HG1 ILE 36 2HG1 ILE 36 -1.629 7.663 -2.636 150 2HG1 ILE 36 1HG1 ILE 36 -2.140 9.275 -3.090 151 1HG2 ILE 36 1HG2 ILE 36 -3.086 6.761 -1.553 152 2HG2 ILE 36 2HG2 ILE 36 -4.463 7.847 -1.357 153 3HG2 ILE 36 3HG2 ILE 36 -3.585 7.271 0.060 154 1HD1 ILE 36 1HD1 ILE 36 -0.270 10.268 -2.158 155 2HD1 ILE 36 2HD1 ILE 36 0.359 8.797 -2.895 156 3HD1 ILE 36 3HD1 ILE 36 0.089 8.867 -1.156 157 H GLN 37 HN GLN 37 -2.118 10.743 0.995 158 HA GLN 37 HA GLN 37 -0.675 12.928 -0.273 159 1HB GLN 37 2HB GLN 37 -2.449 12.942 2.087 160 2HB GLN 37 1HB GLN 37 -0.967 13.861 2.225 161 1HG GLN 37 2HG GLN 37 -1.771 15.505 0.972 162 2HG GLN 37 1HG GLN 37 -2.259 14.379 -0.292 163 1HE2 GLN 37 1HE2 GLN 37 -4.276 14.904 -0.786 164 2HE2 GLN 37 2HE2 GLN 37 -5.574 15.091 0.338 165 H VAL 38 HN VAL 38 1.346 13.401 0.562 166 HA VAL 38 HA VAL 38 2.892 11.213 1.424 167 HB VAL 38 HB VAL 38 3.861 13.076 0.182 168 1HG1 VAL 38 1HG1 VAL 38 3.573 14.761 2.654 169 2HG1 VAL 38 2HG1 VAL 38 2.469 14.843 1.282 170 3HG1 VAL 38 3HG1 VAL 38 4.170 15.256 1.070 171 1HG2 VAL 38 1HG2 VAL 38 5.192 13.113 2.872 172 2HG2 VAL 38 2HG2 VAL 38 5.931 13.185 1.273 173 3HG2 VAL 38 3HG2 VAL 38 5.217 11.678 1.848 174 H GLY 39 HN GLY 39 3.146 10.367 3.421 175 1HA GLY 39 2HA GLY 39 3.865 10.808 5.705 176 2HA GLY 39 1HA GLY 39 2.754 12.158 5.737 177 H GLN 40 HN GLN 40 0.673 10.407 4.406 178 HA GLN 40 HA GLN 40 -0.467 9.481 6.820 179 1HB GLN 40 2HB GLN 40 -2.391 9.024 5.566 180 2HB GLN 40 1HB GLN 40 -1.727 10.507 4.953 181 1HG GLN 40 2HG GLN 40 -0.692 9.237 3.143 182 2HG GLN 40 1HG GLN 40 -1.495 7.794 3.738 183 1HE2 GLN 40 1HE2 GLN 40 -2.996 7.323 2.275 184 2HE2 GLN 40 2HE2 GLN 40 -4.183 8.419 1.666 185 H THR 41 HN THR 41 -1.517 7.326 6.945 186 HA THR 41 HA THR 41 0.283 5.249 5.891 187 HB THR 41 HB THR 41 -0.939 5.431 8.640 188 HG1 THR 41 1HG THR 41 1.093 5.493 9.285 189 1HG2 THR 41 1HG2 THR 41 -1.411 3.169 8.024 190 2HG2 THR 41 2HG2 THR 41 0.027 3.137 9.042 191 3HG2 THR 41 3HG2 THR 41 0.182 2.969 7.294 192 H VAL 42 HN VAL 42 -0.613 3.813 4.687 193 HA VAL 42 HA VAL 42 -3.284 2.900 5.273 194 HB VAL 42 HB VAL 42 -2.694 4.578 2.956 195 1HG1 VAL 42 1HG1 VAL 42 -4.249 3.163 1.487 196 2HG1 VAL 42 2HG1 VAL 42 -3.739 1.845 2.527 197 3HG1 VAL 42 3HG1 VAL 42 -2.551 2.715 1.609 198 1HG2 VAL 42 1HG2 VAL 42 -4.517 5.190 4.293 199 2HG2 VAL 42 2HG2 VAL 42 -5.144 3.543 4.346 200 3HG2 VAL 42 3HG2 VAL 42 -5.252 4.480 2.856 201 H GLU 43 HN GLU 43 -3.577 0.819 4.816 202 HA GLU 43 HA GLU 43 -1.227 -0.737 4.542 203 1HB GLU 43 2HB GLU 43 -2.678 -2.646 4.950 204 2HB GLU 43 1HB GLU 43 -3.026 -1.349 6.084 205 1HG GLU 43 2HG GLU 43 -4.939 -0.677 4.680 206 2HG GLU 43 1HG GLU 43 -4.613 -2.047 3.620 207 H LEU 44 HN LEU 44 -0.384 -1.699 2.796 208 HA LEU 44 HA LEU 44 -1.543 -1.348 0.238 209 1HB LEU 44 2HB LEU 44 0.327 -2.820 -0.503 210 2HB LEU 44 1HB LEU 44 0.777 -1.335 0.279 211 HG LEU 44 HG LEU 44 0.622 -3.365 2.274 212 1HD1 LEU 44 1HD1 LEU 44 2.277 -4.151 -0.116 213 2HD1 LEU 44 2HD1 LEU 44 0.869 -5.005 0.515 214 3HD1 LEU 44 3HD1 LEU 44 2.348 -4.913 1.472 215 1HD2 LEU 44 1HD2 LEU 44 3.235 -2.900 2.098 216 2HD2 LEU 44 2HD2 LEU 44 2.112 -1.742 2.811 217 3HD2 LEU 44 3HD2 LEU 44 2.654 -1.534 1.145 218 H LEU 45 HN LEU 45 -2.239 -2.818 -1.181 219 HA LEU 45 HA LEU 45 -3.783 -4.976 -0.075 220 1HB LEU 45 2HB LEU 45 -3.438 -4.480 -3.007 221 2HB LEU 45 1HB LEU 45 -4.815 -5.151 -2.166 222 HG LEU 45 HG LEU 45 -4.017 -2.274 -1.766 223 1HD1 LEU 45 1HD1 LEU 45 -5.517 -3.517 -4.039 224 2HD1 LEU 45 2HD1 LEU 45 -4.341 -2.207 -4.063 225 3HD1 LEU 45 3HD1 LEU 45 -5.968 -1.917 -3.455 226 1HD2 LEU 45 1HD2 LEU 45 -6.444 -3.948 -1.284 227 2HD2 LEU 45 2HD2 LEU 45 -6.549 -2.198 -1.434 228 3HD2 LEU 45 3HD2 LEU 45 -5.559 -2.911 -0.165 229 H GLU 46 HN GLU 46 -1.202 -4.834 -2.580 230 HA GLU 46 HA GLU 46 -0.491 -7.549 -1.806 231 1HB GLU 46 2HB GLU 46 -0.336 -8.226 -4.066 232 2HB GLU 46 1HB GLU 46 -1.895 -7.456 -3.891 233 1HG GLU 46 2HG GLU 46 -0.479 -5.356 -4.720 234 2HG GLU 46 1HG GLU 46 0.474 -6.642 -5.457 235 H ARG 47 HN ARG 47 1.562 -7.633 -3.909 236 HA ARG 47 HA ARG 47 3.444 -5.575 -3.003 237 1HB ARG 47 2HB ARG 47 3.735 -8.547 -2.819 238 2HB ARG 47 1HB ARG 47 5.161 -7.546 -3.044 239 1HG ARG 47 2HG ARG 47 5.090 -6.730 -0.942 240 2HG ARG 47 1HG ARG 47 3.327 -6.721 -0.888 241 1HD ARG 47 2HD ARG 47 3.201 -8.907 -0.200 242 2HD ARG 47 1HD ARG 47 4.741 -9.340 -0.939 243 HE ARG 47 HE ARG 47 5.815 -8.718 0.991 244 1HH1 ARG 47 1HH1 ARG 47 2.514 -7.564 1.111 245 2HH1 ARG 47 2HH1 ARG 47 2.613 -7.092 2.773 246 1HH2 ARG 47 1HH2 ARG 47 5.936 -8.094 3.173 247 2HH2 ARG 47 2HH2 ARG 47 4.553 -7.390 3.942 248 HA PRO 48 HA PRO 48 4.960 -5.327 -7.150 249 1HB PRO 48 2HB PRO 48 7.743 -5.839 -6.327 250 2HB PRO 48 1HB PRO 48 7.033 -4.392 -7.045 251 1HG PRO 48 2HG PRO 48 7.786 -4.444 -4.480 252 2HG PRO 48 1HG PRO 48 6.342 -3.555 -5.004 253 1HD PRO 48 2HD PRO 48 6.540 -6.241 -3.688 254 2HD PRO 48 1HD PRO 48 5.407 -4.911 -3.366 255 H SER 49 HN SER 49 3.909 -7.720 -7.061 256 HA SER 49 HA SER 49 5.843 -9.787 -7.613 257 1HB SER 49 2HB SER 49 3.395 -9.888 -6.505 258 2HB SER 49 1HB SER 49 2.993 -10.282 -8.176 259 HG SER 49 HG SER 49 4.969 -11.596 -6.615 260 H GLU 50 HN GLU 50 3.319 -8.105 -9.341 261 HA GLU 50 HA GLU 50 3.943 -9.288 -11.856 262 1HB GLU 50 2HB GLU 50 2.159 -7.968 -12.686 263 2HB GLU 50 1HB GLU 50 1.678 -8.540 -11.107 264 1HG GLU 50 2HG GLU 50 2.383 -6.364 -10.173 265 2HG GLU 50 1HG GLU 50 2.658 -5.805 -11.823 266 H ARG 51 HN ARG 51 4.513 -6.272 -10.222 267 HA ARG 51 HA ARG 51 6.608 -5.633 -12.165 268 1HB ARG 51 2HB ARG 51 5.937 -3.219 -12.059 269 2HB ARG 51 1HB ARG 51 4.810 -4.258 -12.920 270 1HG ARG 51 2HG ARG 51 3.919 -4.251 -10.279 271 2HG ARG 51 1HG ARG 51 4.394 -2.587 -10.618 272 1HD ARG 51 2HD ARG 51 2.787 -3.995 -12.673 273 2HD ARG 51 1HD ARG 51 1.968 -3.524 -11.185 274 HE ARG 51 HE ARG 51 3.501 -1.403 -12.365 275 1HH1 ARG 51 1HH1 ARG 51 0.406 -3.038 -12.400 276 2HH1 ARG 51 2HH1 ARG 51 -0.441 -1.671 -13.041 277 1HH2 ARG 51 1HH2 ARG 51 2.378 0.386 -13.205 278 2HH2 ARG 51 2HH2 ARG 51 0.674 0.269 -13.498 279 HA PRO 52 HA PRO 52 8.581 -4.653 -8.279 280 1HB PRO 52 2HB PRO 52 11.087 -4.467 -9.160 281 2HB PRO 52 1HB PRO 52 10.230 -6.012 -9.228 282 1HG PRO 52 2HG PRO 52 10.895 -4.125 -11.417 283 2HG PRO 52 1HG PRO 52 10.693 -5.883 -11.470 284 1HD PRO 52 2HD PRO 52 8.770 -3.872 -12.155 285 2HD PRO 52 1HD PRO 52 8.547 -5.631 -12.143 286 H GLY 53 HN GLY 53 7.950 -2.699 -7.571 287 1HA GLY 53 2HA GLY 53 9.307 -0.546 -7.226 288 2HA GLY 53 1HA GLY 53 8.980 -0.313 -8.932 289 H TRP 54 HN TRP 54 6.317 -1.730 -8.182 290 HA TRP 54 HA TRP 54 4.905 0.693 -7.563 291 1HB TRP 54 2HB TRP 54 3.169 -0.091 -8.811 292 2HB TRP 54 1HB TRP 54 4.506 -0.881 -9.600 293 HD1 TRP 54 1HD TRP 54 4.827 -3.299 -7.486 294 HE1 TRP 54 1HE TRP 54 3.044 -5.175 -7.477 295 HE3 TRP 54 3HE TRP 54 1.050 -0.776 -9.738 296 HZ2 TRP 54 2HZ TRP 54 0.370 -5.515 -8.349 297 HZ3 TRP 54 3HZ TRP 54 -1.098 -1.927 -10.137 298 HH2 TRP 54 2HH TRP 54 -1.430 -4.247 -9.447 299 H CYS 55 HN CYS 55 2.863 0.541 -6.291 300 HA CYS 55 HA CYS 55 2.604 -1.629 -4.430 301 1HB CYS 55 2HB CYS 55 4.382 0.123 -3.564 302 2HB CYS 55 1HB CYS 55 2.948 0.929 -2.988 303 HG CYS 55 HG CYS 55 3.884 -0.709 -1.159 304 H LEU 56 HN LEU 56 0.767 -1.487 -3.090 305 HA LEU 56 HA LEU 56 -1.311 0.250 -4.222 306 1HB LEU 56 2HB LEU 56 -1.285 -2.510 -3.097 307 2HB LEU 56 1HB LEU 56 -2.763 -1.592 -3.132 308 HG LEU 56 HG LEU 56 -2.879 -1.597 -5.459 309 1HD1 LEU 56 1HD1 LEU 56 0.044 -2.354 -5.456 310 2HD1 LEU 56 2HD1 LEU 56 -0.678 -0.863 -6.061 311 3HD1 LEU 56 3HD1 LEU 56 -0.974 -2.388 -6.897 312 1HD2 LEU 56 1HD2 LEU 56 -3.502 -3.733 -5.021 313 2HD2 LEU 56 2HD2 LEU 56 -1.962 -4.141 -4.271 314 3HD2 LEU 56 3HD2 LEU 56 -2.092 -4.065 -6.025 315 H VAL 57 HN VAL 57 -3.056 0.986 -2.766 316 HA VAL 57 HA VAL 57 -2.238 1.074 0.060 317 HB VAL 57 HB VAL 57 -3.177 3.547 -0.095 318 1HG1 VAL 57 1HG1 VAL 57 -0.588 3.997 -0.932 319 2HG1 VAL 57 2HG1 VAL 57 -0.533 2.370 -0.253 320 3HG1 VAL 57 3HG1 VAL 57 -1.114 3.716 0.726 321 1HG2 VAL 57 1HG2 VAL 57 -2.589 4.709 -2.096 322 2HG2 VAL 57 2HG2 VAL 57 -3.701 3.399 -2.493 323 3HG2 VAL 57 3HG2 VAL 57 -1.977 3.224 -2.825 324 H ARG 58 HN ARG 58 -3.874 0.434 1.339 325 HA ARG 58 HA ARG 58 -6.620 0.986 0.484 326 1HB ARG 58 2HB ARG 58 -6.702 -1.254 0.273 327 2HB ARG 58 1HB ARG 58 -5.383 -1.536 1.384 328 1HG ARG 58 2HG ARG 58 -6.816 -2.137 2.979 329 2HG ARG 58 1HG ARG 58 -7.701 -0.624 2.838 330 1HD ARG 58 2HD ARG 58 -8.095 -2.962 0.995 331 2HD ARG 58 1HD ARG 58 -9.066 -2.662 2.439 332 HE ARG 58 HE ARG 58 -8.919 -0.437 0.592 333 1HH1 ARG 58 1HH1 ARG 58 -10.668 -3.347 1.519 334 2HH1 ARG 58 2HH1 ARG 58 -12.146 -2.845 0.775 335 1HH2 ARG 58 1HH2 ARG 58 -10.903 0.186 -0.398 336 2HH2 ARG 58 2HH2 ARG 58 -12.278 -0.855 -0.305 337 H THR 59 HN THR 59 -8.112 1.709 2.090 338 HA THR 59 HA THR 59 -6.881 2.224 4.724 339 HB THR 59 HB THR 59 -7.185 4.292 3.444 340 HG1 THR 59 1HG THR 59 -8.215 5.393 5.062 341 1HG2 THR 59 1HG2 THR 59 -10.140 3.793 3.560 342 2HG2 THR 59 2HG2 THR 59 -9.153 3.527 2.123 343 3HG2 THR 59 3HG2 THR 59 -9.293 5.145 2.808 344 H THR 60 HN THR 60 -7.937 1.538 6.450 345 HA THR 60 HA THR 60 -10.622 0.396 6.068 346 HB THR 60 HB THR 60 -9.934 -1.038 8.103 347 HG1 THR 60 1HG THR 60 -7.982 0.272 8.425 348 1HG2 THR 60 1HG2 THR 60 -8.940 -2.733 6.777 349 2HG2 THR 60 2HG2 THR 60 -8.398 -1.561 5.576 350 3HG2 THR 60 3HG2 THR 60 -10.118 -1.894 5.769 351 H GLU 61 HN GLU 61 -8.812 2.772 7.732 352 HA GLU 61 HA GLU 61 -10.629 2.897 9.985 353 1HB GLU 61 2HB GLU 61 -8.116 3.376 10.099 354 2HB GLU 61 1HB GLU 61 -8.489 4.906 9.319 355 1HG GLU 61 2HG GLU 61 -10.259 4.988 11.330 356 2HG GLU 61 1HG GLU 61 -8.998 4.008 12.078 357 H ARG 62 HN ARG 62 -11.268 3.551 7.022 358 HA ARG 62 HA ARG 62 -12.871 5.890 7.607 359 1HB ARG 62 2HB ARG 62 -11.183 6.952 6.393 360 2HB ARG 62 1HB ARG 62 -10.849 5.534 5.418 361 1HG ARG 62 2HG ARG 62 -12.409 6.049 3.879 362 2HG ARG 62 1HG ARG 62 -13.492 6.788 5.060 363 1HD ARG 62 2HD ARG 62 -11.328 8.481 5.082 364 2HD ARG 62 1HD ARG 62 -11.421 7.999 3.389 365 HE ARG 62 HE ARG 62 -13.326 9.240 3.180 366 1HH1 ARG 62 1HH1 ARG 62 -12.723 8.722 6.587 367 2HH1 ARG 62 2HH1 ARG 62 -13.985 9.792 7.095 368 1HH2 ARG 62 1HH2 ARG 62 -14.981 10.645 3.857 369 2HH2 ARG 62 2HH2 ARG 62 -15.265 10.881 5.549 370 H SER 63 HN SER 63 -14.705 4.676 7.719 371 HA SER 63 HA SER 63 -15.284 2.638 5.777 372 1HB SER 63 2HB SER 63 -17.026 3.774 7.973 373 2HB SER 63 1HB SER 63 -17.366 2.317 7.039 374 HG SER 63 HG SER 63 -15.991 2.477 9.251 375 HA PRO 64 HA PRO 64 -16.435 1.718 4.331 376 1HB PRO 64 2HB PRO 64 -16.538 2.214 1.476 377 2HB PRO 64 1HB PRO 64 -17.625 1.241 2.468 378 1HG PRO 64 2HG PRO 64 -18.361 3.581 1.278 379 2HG PRO 64 1HG PRO 64 -19.102 2.962 2.763 380 1HD PRO 64 2HD PRO 64 -16.996 5.069 2.427 381 2HD PRO 64 1HD PRO 64 -18.403 5.044 3.513 382 HA PRO 65 HA PRO 65 -12.024 1.921 3.703 383 1HB PRO 65 2HB PRO 65 -12.426 -0.465 1.963 384 2HB PRO 65 1HB PRO 65 -11.299 -0.223 3.301 385 1HG PRO 65 2HG PRO 65 -13.487 -1.707 3.624 386 2HG PRO 65 1HG PRO 65 -12.913 -0.634 4.914 387 1HD PRO 65 2HD PRO 65 -15.220 -0.303 3.058 388 2HD PRO 65 1HD PRO 65 -15.043 0.219 4.744 389 H GLN 66 HN GLN 66 -10.423 2.016 1.952 390 HA GLN 66 HA GLN 66 -11.489 2.630 -0.657 391 1HB GLN 66 2HB GLN 66 -10.864 4.597 1.211 392 2HB GLN 66 1HB GLN 66 -9.467 4.551 0.149 393 1HG GLN 66 2HG GLN 66 -11.109 4.700 -1.766 394 2HG GLN 66 1HG GLN 66 -12.328 5.075 -0.550 395 1HE2 GLN 66 1HE2 GLN 66 -11.111 6.651 -2.789 396 2HE2 GLN 66 2HE2 GLN 66 -10.580 8.121 -2.052 397 H GLU 67 HN GLU 67 -10.186 1.835 -2.237 398 HA GLU 67 HA GLU 67 -7.528 0.929 -1.389 399 1HB GLU 67 2HB GLU 67 -8.285 -0.431 -3.785 400 2HB GLU 67 1HB GLU 67 -7.900 -1.089 -2.220 401 1HG GLU 67 2HG GLU 67 -10.015 -1.609 -1.791 402 2HG GLU 67 1HG GLU 67 -10.624 -0.062 -2.359 403 H GLY 68 HN GLY 68 -5.795 1.221 -2.726 404 1HA GLY 68 2HA GLY 68 -6.256 2.862 -5.140 405 2HA GLY 68 1HA GLY 68 -5.236 3.504 -3.876 406 H LEU 69 HN LEU 69 -4.085 3.510 -6.140 407 HA LEU 69 HA LEU 69 -2.073 1.425 -5.962 408 1HB LEU 69 2HB LEU 69 -3.927 1.818 -8.235 409 2HB LEU 69 1HB LEU 69 -2.246 1.505 -8.630 410 HG LEU 69 HG LEU 69 -2.511 -0.456 -6.946 411 1HD1 LEU 69 1HD1 LEU 69 -5.184 0.552 -7.066 412 2HD1 LEU 69 2HD1 LEU 69 -4.546 -0.791 -6.120 413 3HD1 LEU 69 3HD1 LEU 69 -5.146 -1.073 -7.751 414 1HD2 LEU 69 1HD2 LEU 69 -3.944 -0.990 -9.480 415 2HD2 LEU 69 2HD2 LEU 69 -2.580 -1.834 -8.745 416 3HD2 LEU 69 3HD2 LEU 69 -2.321 -0.308 -9.590 417 H VAL 70 HN VAL 70 -0.083 2.147 -6.289 418 HA VAL 70 HA VAL 70 0.511 4.390 -7.978 419 HB VAL 70 HB VAL 70 1.807 5.396 -5.827 420 1HG1 VAL 70 1HG1 VAL 70 0.293 6.494 -7.537 421 2HG1 VAL 70 2HG1 VAL 70 0.335 7.218 -5.929 422 3HG1 VAL 70 3HG1 VAL 70 -1.025 6.198 -6.403 423 1HG2 VAL 70 1HG2 VAL 70 0.812 5.140 -3.823 424 2HG2 VAL 70 2HG2 VAL 70 0.209 3.640 -4.525 425 3HG2 VAL 70 3HG2 VAL 70 -0.808 5.079 -4.517 426 HA PRO 71 HA PRO 71 4.311 2.248 -7.706 427 1HB PRO 71 2HB PRO 71 6.223 4.073 -8.233 428 2HB PRO 71 1HB PRO 71 5.097 3.462 -9.449 429 1HG PRO 71 2HG PRO 71 5.192 6.106 -8.175 430 2HG PRO 71 1HG PRO 71 4.362 5.607 -9.655 431 1HD PRO 71 2HD PRO 71 3.261 5.971 -7.009 432 2HD PRO 71 1HD PRO 71 2.409 5.574 -8.506 433 H SER 72 HN SER 72 6.095 1.723 -6.449 434 HA SER 72 HA SER 72 5.965 2.153 -3.757 435 1HB SER 72 2HB SER 72 7.266 0.342 -4.832 436 2HB SER 72 1HB SER 72 8.480 1.525 -5.321 437 HG SER 72 HG SER 72 8.073 0.335 -2.893 438 H SER 73 HN SER 73 7.413 4.203 -6.166 439 HA SER 73 HA SER 73 9.183 5.675 -4.576 440 1HB SER 73 2HB SER 73 8.833 5.747 -7.137 441 2HB SER 73 1HB SER 73 7.555 6.912 -6.791 442 HG SER 73 HG SER 73 10.298 7.187 -6.627 443 H THR 74 HN THR 74 5.689 5.805 -4.927 444 HA THR 74 HA THR 74 5.552 8.149 -3.188 445 HB THR 74 HB THR 74 3.476 8.562 -4.064 446 HG1 THR 74 1HG THR 74 2.014 7.089 -4.472 447 1HG2 THR 74 1HG2 THR 74 4.984 8.687 -5.925 448 2HG2 THR 74 2HG2 THR 74 3.415 8.083 -6.450 449 3HG2 THR 74 3HG2 THR 74 4.765 6.970 -6.234 450 H LEU 75 HN LEU 75 5.567 4.843 -2.929 451 HA LEU 75 HA LEU 75 3.926 4.869 -0.528 452 1HB LEU 75 2HB LEU 75 4.505 2.593 -2.420 453 2HB LEU 75 1HB LEU 75 3.569 2.469 -0.944 454 HG LEU 75 HG LEU 75 2.391 4.545 -2.431 455 1HD1 LEU 75 1HD1 LEU 75 3.626 2.629 -4.191 456 2HD1 LEU 75 2HD1 LEU 75 2.731 4.096 -4.581 457 3HD1 LEU 75 3HD1 LEU 75 1.874 2.577 -4.357 458 1HD2 LEU 75 1HD2 LEU 75 0.440 3.163 -2.408 459 2HD2 LEU 75 2HD2 LEU 75 1.299 2.909 -0.890 460 3HD2 LEU 75 3HD2 LEU 75 1.399 1.706 -2.171 461 H CYS 76 HN CYS 76 4.684 2.758 0.752 462 HA CYS 76 HA CYS 76 7.076 3.353 1.974 463 1HB CYS 76 2HB CYS 76 6.898 1.213 3.071 464 2HB CYS 76 1HB CYS 76 5.304 1.921 2.938 465 HG CYS 76 HG CYS 76 6.148 -0.731 1.796 466 H ILE 77 HN ILE 77 9.163 2.980 1.560 467 HA ILE 77 HA ILE 77 9.832 1.116 -0.619 468 HB ILE 77 HB ILE 77 11.761 2.512 -1.151 469 1HG1 ILE 77 2HG1 ILE 77 10.677 4.355 0.997 470 2HG1 ILE 77 1HG1 ILE 77 12.198 3.471 1.056 471 1HG2 ILE 77 1HG2 ILE 77 10.533 4.449 -2.065 472 2HG2 ILE 77 2HG2 ILE 77 9.143 4.001 -1.076 473 3HG2 ILE 77 3HG2 ILE 77 9.709 2.916 -2.347 474 1HD1 ILE 77 1HD1 ILE 77 12.824 5.629 0.491 475 2HD1 ILE 77 2HD1 ILE 77 11.466 5.839 -0.614 476 3HD1 ILE 77 3HD1 ILE 77 12.809 4.786 -1.058 477 H SER 78 HN SER 78 10.880 2.489 2.427 478 HA SER 78 HA SER 78 12.073 0.002 3.231 479 1HB SER 78 2HB SER 78 13.752 2.270 2.300 480 2HB SER 78 1HB SER 78 14.274 1.448 3.770 481 HG SER 78 HG SER 78 14.249 -0.508 2.599 482 H HIS 79 HN HIS 79 12.799 0.033 5.467 483 HA HIS 79 HA HIS 79 12.510 0.526 7.667 484 1HB HIS 79 2HB HIS 79 12.887 3.179 6.390 485 2HB HIS 79 1HB HIS 79 12.241 3.175 8.028 486 HD1 HIS 79 1HD HIS 79 15.278 2.053 6.082 487 HD2 HIS 79 2HD HIS 79 14.086 2.711 10.008 488 HE1 HIS 79 1HE HIS 79 17.371 1.857 7.461 489 HE2 HIS 79 2HE HIS 79 16.640 2.346 9.822 490 H SER 80 HN SER 80 10.656 -0.174 8.499 491 HA SER 80 HA SER 80 8.156 1.172 7.759 492 1HB SER 80 2HB SER 80 8.299 -1.300 7.450 493 2HB SER 80 1HB SER 80 8.524 -1.470 9.191 494 HG SER 80 HG SER 80 6.465 -0.356 9.397 Start of MODEL 13 1 H SER 14 HN SER 14 0.754 -16.535 7.557 2 HA SER 14 HA SER 14 -0.571 -13.932 7.857 3 1HB SER 14 2HB SER 14 2.360 -14.226 7.302 4 2HB SER 14 1HB SER 14 1.514 -12.957 8.188 5 HG SER 14 HG SER 14 1.564 -14.137 9.955 6 H GLY 15 HN GLY 15 0.429 -12.268 6.196 7 1HA GLY 15 2HA GLY 15 1.086 -11.855 3.941 8 2HA GLY 15 1HA GLY 15 0.595 -13.491 3.530 9 H GLY 16 HN GLY 16 -0.169 -10.387 3.014 10 1HA GLY 16 2HA GLY 16 -2.495 -10.732 1.660 11 2HA GLY 16 1HA GLY 16 -3.035 -10.513 3.318 12 H CYS 17 HN CYS 17 -2.132 -8.533 4.426 13 HA CYS 17 HA CYS 17 -1.707 -6.322 2.558 14 1HB CYS 17 2HB CYS 17 -3.173 -4.943 4.161 15 2HB CYS 17 1HB CYS 17 -3.988 -6.029 3.044 16 HG CYS 17 HG CYS 17 -5.038 -6.303 5.412 17 H GLU 18 HN GLU 18 -0.309 -4.781 3.256 18 HA GLU 18 HA GLU 18 0.800 -5.100 5.966 19 1HB GLU 18 2HB GLU 18 2.362 -6.091 4.383 20 2HB GLU 18 1HB GLU 18 2.366 -4.618 3.427 21 1HG GLU 18 2HG GLU 18 3.638 -3.467 4.963 22 2HG GLU 18 1HG GLU 18 3.169 -4.522 6.297 23 H LEU 19 HN LEU 19 1.514 -3.222 6.958 24 HA LEU 19 HA LEU 19 0.159 -0.846 6.075 25 1HB LEU 19 2HB LEU 19 2.103 -0.584 8.267 26 2HB LEU 19 1HB LEU 19 0.476 0.033 8.131 27 HG LEU 19 HG LEU 19 1.263 -2.773 8.888 28 1HD1 LEU 19 1HD1 LEU 19 -0.190 -0.669 10.474 29 2HD1 LEU 19 2HD1 LEU 19 1.536 -0.999 10.613 30 3HD1 LEU 19 3HD1 LEU 19 0.363 -2.246 11.038 31 1HD2 LEU 19 1HD2 LEU 19 -1.536 -1.710 8.890 32 2HD2 LEU 19 2HD2 LEU 19 -0.979 -3.384 8.929 33 3HD2 LEU 19 3HD2 LEU 19 -0.851 -2.447 7.441 34 H THR 20 HN THR 20 0.923 0.807 5.011 35 HA THR 20 HA THR 20 3.804 1.226 4.801 36 HB THR 20 HB THR 20 3.194 -0.141 2.860 37 HG1 THR 20 1HG THR 20 4.207 1.128 1.407 38 1HG2 THR 20 1HG2 THR 20 0.931 0.319 2.431 39 2HG2 THR 20 2HG2 THR 20 1.827 0.959 1.054 40 3HG2 THR 20 3HG2 THR 20 1.228 2.052 2.302 41 H VAL 21 HN VAL 21 4.404 3.332 4.147 42 HA VAL 21 HA VAL 21 2.284 5.338 4.484 43 HB VAL 21 HB VAL 21 4.225 6.844 5.187 44 1HG1 VAL 21 1HG1 VAL 21 2.960 4.683 6.762 45 2HG1 VAL 21 2HG1 VAL 21 2.865 6.434 6.955 46 3HG1 VAL 21 3HG1 VAL 21 4.291 5.560 7.516 47 1HG2 VAL 21 1HG2 VAL 21 5.568 4.168 5.522 48 2HG2 VAL 21 2HG2 VAL 21 6.154 5.686 6.202 49 3HG2 VAL 21 3HG2 VAL 21 6.072 5.478 4.453 50 H VAL 22 HN VAL 22 1.972 6.678 2.797 51 HA VAL 22 HA VAL 22 3.437 6.310 0.421 52 HB VAL 22 HB VAL 22 2.162 8.527 -0.203 53 1HG1 VAL 22 1HG1 VAL 22 0.209 6.407 0.025 54 2HG1 VAL 22 2HG1 VAL 22 1.768 5.846 -0.580 55 3HG1 VAL 22 3HG1 VAL 22 0.919 7.150 -1.409 56 1HG2 VAL 22 1HG2 VAL 22 0.198 8.990 0.978 57 2HG2 VAL 22 2HG2 VAL 22 1.448 8.843 2.211 58 3HG2 VAL 22 3HG2 VAL 22 0.329 7.511 1.928 59 H LEU 23 HN LEU 23 5.161 7.289 -0.334 60 HA LEU 23 HA LEU 23 6.532 9.165 1.299 61 1HB LEU 23 2HB LEU 23 7.439 8.512 -1.466 62 2HB LEU 23 1HB LEU 23 8.396 8.810 -0.028 63 HG LEU 23 HG LEU 23 6.866 6.297 -0.702 64 1HD1 LEU 23 1HD1 LEU 23 9.710 7.129 -0.770 65 2HD1 LEU 23 2HD1 LEU 23 8.819 6.040 -1.833 66 3HD1 LEU 23 3HD1 LEU 23 9.350 5.484 -0.246 67 1HD2 LEU 23 1HD2 LEU 23 8.239 7.142 1.837 68 2HD2 LEU 23 2HD2 LEU 23 7.958 5.450 1.426 69 3HD2 LEU 23 3HD2 LEU 23 6.592 6.547 1.627 70 H GLN 24 HN GLN 24 4.429 9.404 -1.443 71 HA GLN 24 HA GLN 24 4.801 12.280 -1.387 72 1HB GLN 24 2HB GLN 24 5.418 12.530 -3.568 73 2HB GLN 24 1HB GLN 24 6.199 11.019 -3.196 74 1HG GLN 24 2HG GLN 24 5.135 9.991 -4.814 75 2HG GLN 24 1HG GLN 24 3.566 10.540 -4.257 76 1HE2 GLN 24 1HE2 GLN 24 3.108 10.592 -6.569 77 2HE2 GLN 24 2HE2 GLN 24 3.534 12.004 -7.470 78 H ASP 25 HN ASP 25 2.979 13.469 -2.291 79 HA ASP 25 HA ASP 25 0.503 12.184 -1.710 80 1HB ASP 25 2HB ASP 25 0.081 14.588 -3.264 81 2HB ASP 25 1HB ASP 25 -0.371 14.233 -1.615 82 H PHE 26 HN PHE 26 -1.145 11.657 -3.091 83 HA PHE 26 HA PHE 26 -0.645 11.689 -5.957 84 1HB PHE 26 2HB PHE 26 0.236 9.525 -5.057 85 2HB PHE 26 1HB PHE 26 -1.396 9.123 -4.569 86 HD1 PHE 26 1HD PHE 26 0.757 9.793 -7.477 87 HD2 PHE 26 2HD PHE 26 -3.007 8.345 -6.118 88 HE1 PHE 26 1HE PHE 26 0.296 8.902 -9.723 89 HE2 PHE 26 2HE PHE 26 -3.473 7.452 -8.360 90 HZ PHE 26 HZ PHE 26 -1.823 7.728 -10.165 91 H SER 27 HN SER 27 -2.507 11.325 -7.226 92 HA SER 27 HA SER 27 -5.026 11.469 -5.769 93 1HB SER 27 2HB SER 27 -5.586 12.823 -8.007 94 2HB SER 27 1HB SER 27 -4.952 13.611 -6.573 95 HG SER 27 HG SER 27 -3.783 13.178 -9.028 96 H ALA 28 HN ALA 28 -6.626 10.195 -6.616 97 HA ALA 28 HA ALA 28 -6.072 7.922 -7.982 98 1HB ALA 28 1HB ALA 28 -8.769 9.115 -8.297 99 2HB ALA 28 2HB ALA 28 -8.181 8.729 -6.685 100 3HB ALA 28 3HB ALA 28 -8.313 7.463 -7.899 101 H ALA 29 HN ALA 29 -7.598 7.353 -9.988 102 HA ALA 29 HA ALA 29 -7.869 9.134 -12.107 103 1HB ALA 29 1HB ALA 29 -5.891 8.135 -13.499 104 2HB ALA 29 2HB ALA 29 -5.177 7.866 -11.909 105 3HB ALA 29 3HB ALA 29 -5.618 9.497 -12.412 106 H HIS 30 HN HIS 30 -7.258 5.844 -11.045 107 HA HIS 30 HA HIS 30 -8.969 4.933 -13.240 108 1HB HIS 30 2HB HIS 30 -7.779 2.917 -13.495 109 2HB HIS 30 1HB HIS 30 -6.585 4.200 -13.468 110 HD1 HIS 30 1HD HIS 30 -8.063 1.741 -10.938 111 HD2 HIS 30 2HD HIS 30 -4.467 3.544 -11.964 112 HE1 HIS 30 1HE HIS 30 -6.346 0.710 -9.427 113 HE2 HIS 30 2HE HIS 30 -4.156 1.706 -10.174 114 H SER 31 HN SER 31 -9.602 2.518 -12.664 115 HA SER 31 HA SER 31 -11.819 2.496 -11.220 116 1HB SER 31 2HB SER 31 -9.832 0.316 -11.705 117 2HB SER 31 1HB SER 31 -11.249 -0.007 -10.705 118 HG SER 31 HG SER 31 -12.326 -0.179 -12.486 119 H SER 32 HN SER 32 -9.175 0.749 -9.619 120 HA SER 32 HA SER 32 -10.318 1.492 -7.061 121 1HB SER 32 2HB SER 32 -8.056 -0.392 -7.753 122 2HB SER 32 1HB SER 32 -8.723 -0.162 -6.136 123 HG SER 32 HG SER 32 -10.723 -0.911 -6.932 124 H GLU 33 HN GLU 33 -9.130 3.731 -8.318 125 HA GLU 33 HA GLU 33 -6.627 4.093 -6.881 126 1HB GLU 33 2HB GLU 33 -7.844 5.223 -9.308 127 2HB GLU 33 1HB GLU 33 -6.874 6.312 -8.350 128 1HG GLU 33 2HG GLU 33 -5.870 3.643 -9.052 129 2HG GLU 33 1HG GLU 33 -5.792 4.964 -10.209 130 H LEU 34 HN LEU 34 -6.273 6.041 -5.738 131 HA LEU 34 HA LEU 34 -8.496 7.721 -5.074 132 1HB LEU 34 2HB LEU 34 -7.894 7.262 -2.552 133 2HB LEU 34 1HB LEU 34 -9.138 6.381 -3.407 134 HG LEU 34 HG LEU 34 -7.235 4.644 -3.867 135 1HD1 LEU 34 1HD1 LEU 34 -5.817 4.654 -1.682 136 2HD1 LEU 34 2HD1 LEU 34 -6.128 6.390 -1.716 137 3HD1 LEU 34 3HD1 LEU 34 -5.308 5.613 -3.072 138 1HD2 LEU 34 1HD2 LEU 34 -8.659 5.128 -1.260 139 2HD2 LEU 34 2HD2 LEU 34 -7.743 3.658 -1.590 140 3HD2 LEU 34 3HD2 LEU 34 -9.139 4.070 -2.586 141 H SER 35 HN SER 35 -7.844 9.448 -3.543 142 HA SER 35 HA SER 35 -5.197 10.347 -4.215 143 1HB SER 35 2HB SER 35 -6.227 12.441 -2.917 144 2HB SER 35 1HB SER 35 -6.580 12.128 -4.615 145 HG SER 35 HG SER 35 -8.174 11.550 -2.349 146 H ILE 36 HN ILE 36 -3.613 10.541 -2.889 147 HA ILE 36 HA ILE 36 -4.047 10.222 -0.003 148 HB ILE 36 HB ILE 36 -1.911 8.928 0.098 149 1HG1 ILE 36 2HG1 ILE 36 -1.553 7.745 -2.274 150 2HG1 ILE 36 1HG1 ILE 36 -2.152 9.291 -2.838 151 1HG2 ILE 36 1HG2 ILE 36 -4.423 8.045 -0.235 152 2HG2 ILE 36 2HG2 ILE 36 -3.041 6.971 -0.020 153 3HG2 ILE 36 3HG2 ILE 36 -3.659 7.301 -1.638 154 1HD1 ILE 36 1HD1 ILE 36 0.301 9.159 -2.744 155 2HD1 ILE 36 2HD1 ILE 36 0.190 8.948 -0.998 156 3HD1 ILE 36 3HD1 ILE 36 -0.366 10.441 -1.738 157 H GLN 37 HN GLN 37 -1.924 10.781 1.166 158 HA GLN 37 HA GLN 37 -0.579 13.026 -0.100 159 1HB GLN 37 2HB GLN 37 -2.231 12.964 2.348 160 2HB GLN 37 1HB GLN 37 -0.744 13.879 2.439 161 1HG GLN 37 2HG GLN 37 -1.621 15.565 1.297 162 2HG GLN 37 1HG GLN 37 -2.145 14.485 0.008 163 1HE2 GLN 37 1HE2 GLN 37 -3.058 16.219 2.837 164 2HE2 GLN 37 2HE2 GLN 37 -4.751 15.881 2.765 165 H VAL 38 HN VAL 38 1.490 13.487 0.693 166 HA VAL 38 HA VAL 38 3.034 11.230 1.425 167 HB VAL 38 HB VAL 38 3.971 13.076 0.142 168 1HG1 VAL 38 1HG1 VAL 38 4.255 14.875 2.450 169 2HG1 VAL 38 2HG1 VAL 38 2.636 14.739 1.762 170 3HG1 VAL 38 3HG1 VAL 38 3.987 15.241 0.746 171 1HG2 VAL 38 1HG2 VAL 38 5.456 13.083 2.747 172 2HG2 VAL 38 2HG2 VAL 38 6.102 13.126 1.107 173 3HG2 VAL 38 3HG2 VAL 38 5.385 11.642 1.734 174 H GLY 39 HN GLY 39 3.180 10.326 3.414 175 1HA GLY 39 2HA GLY 39 4.096 10.763 5.663 176 2HA GLY 39 1HA GLY 39 3.011 12.133 5.751 177 H GLN 40 HN GLN 40 0.916 10.287 4.434 178 HA GLN 40 HA GLN 40 -0.176 9.418 6.907 179 1HB GLN 40 2HB GLN 40 -2.131 8.932 5.678 180 2HB GLN 40 1HB GLN 40 -1.504 10.454 5.119 181 1HG GLN 40 2HG GLN 40 -0.491 9.306 3.238 182 2HG GLN 40 1HG GLN 40 -1.214 7.803 3.786 183 1HE2 GLN 40 1HE2 GLN 40 -2.664 7.362 2.239 184 2HE2 GLN 40 2HE2 GLN 40 -3.938 8.417 1.743 185 H THR 41 HN THR 41 -1.246 7.248 7.034 186 HA THR 41 HA THR 41 0.553 5.189 5.938 187 HB THR 41 HB THR 41 -0.658 5.331 8.695 188 HG1 THR 41 1HG THR 41 1.462 5.134 9.327 189 1HG2 THR 41 1HG2 THR 41 0.215 2.913 7.180 190 2HG2 THR 41 2HG2 THR 41 -1.063 3.089 8.380 191 3HG2 THR 41 3HG2 THR 41 0.622 3.023 8.894 192 H VAL 42 HN VAL 42 -0.369 3.834 4.653 193 HA VAL 42 HA VAL 42 -3.018 2.867 5.283 194 HB VAL 42 HB VAL 42 -2.395 4.464 2.889 195 1HG1 VAL 42 1HG1 VAL 42 -2.470 2.508 1.644 196 2HG1 VAL 42 2HG1 VAL 42 -4.142 3.072 1.598 197 3HG1 VAL 42 3HG1 VAL 42 -3.664 1.783 2.694 198 1HG2 VAL 42 1HG2 VAL 42 -4.932 4.601 2.909 199 2HG2 VAL 42 2HG2 VAL 42 -4.097 5.258 4.317 200 3HG2 VAL 42 3HG2 VAL 42 -4.864 3.672 4.407 201 H GLU 43 HN GLU 43 -3.274 0.786 4.855 202 HA GLU 43 HA GLU 43 -0.909 -0.730 4.504 203 1HB GLU 43 2HB GLU 43 -2.321 -2.665 4.942 204 2HB GLU 43 1HB GLU 43 -2.649 -1.383 6.099 205 1HG GLU 43 2HG GLU 43 -4.566 -0.708 4.566 206 2HG GLU 43 1HG GLU 43 -4.318 -2.257 3.762 207 H LEU 44 HN LEU 44 -0.186 -1.866 2.782 208 HA LEU 44 HA LEU 44 -1.375 -1.400 0.250 209 1HB LEU 44 2HB LEU 44 0.421 -2.986 -0.526 210 2HB LEU 44 1HB LEU 44 0.921 -1.479 0.178 211 HG LEU 44 HG LEU 44 0.799 -3.462 2.242 212 1HD1 LEU 44 1HD1 LEU 44 1.038 -5.139 0.536 213 2HD1 LEU 44 2HD1 LEU 44 2.551 -4.988 1.429 214 3HD1 LEU 44 3HD1 LEU 44 2.399 -4.271 -0.175 215 1HD2 LEU 44 1HD2 LEU 44 2.412 -1.322 1.477 216 2HD2 LEU 44 2HD2 LEU 44 3.471 -2.729 1.432 217 3HD2 LEU 44 3HD2 LEU 44 2.594 -2.333 2.910 218 H LEU 45 HN LEU 45 -2.208 -2.798 -1.150 219 HA LEU 45 HA LEU 45 -3.794 -4.911 -0.028 220 1HB LEU 45 2HB LEU 45 -3.511 -4.358 -2.964 221 2HB LEU 45 1HB LEU 45 -4.884 -5.020 -2.108 222 HG LEU 45 HG LEU 45 -3.994 -2.175 -1.668 223 1HD1 LEU 45 1HD1 LEU 45 -5.832 -3.262 -3.795 224 2HD1 LEU 45 2HD1 LEU 45 -4.383 -2.286 -4.023 225 3HD1 LEU 45 3HD1 LEU 45 -5.816 -1.575 -3.284 226 1HD2 LEU 45 1HD2 LEU 45 -6.632 -3.578 -1.324 227 2HD2 LEU 45 2HD2 LEU 45 -6.301 -1.881 -0.971 228 3HD2 LEU 45 3HD2 LEU 45 -5.513 -3.149 -0.032 229 H GLU 46 HN GLU 46 -1.257 -4.808 -2.569 230 HA GLU 46 HA GLU 46 -0.626 -7.563 -1.873 231 1HB GLU 46 2HB GLU 46 -0.519 -8.206 -4.128 232 2HB GLU 46 1HB GLU 46 -2.021 -7.329 -3.976 233 1HG GLU 46 2HG GLU 46 -0.607 -5.312 -4.808 234 2HG GLU 46 1HG GLU 46 0.495 -6.562 -5.380 235 H ARG 47 HN ARG 47 1.449 -7.609 -3.983 236 HA ARG 47 HA ARG 47 3.349 -5.620 -2.963 237 1HB ARG 47 2HB ARG 47 3.774 -8.601 -3.127 238 2HB ARG 47 1HB ARG 47 5.074 -7.444 -2.891 239 1HG ARG 47 2HG ARG 47 4.729 -7.800 -0.714 240 2HG ARG 47 1HG ARG 47 3.346 -6.722 -0.916 241 1HD ARG 47 2HD ARG 47 2.666 -8.740 0.239 242 2HD ARG 47 1HD ARG 47 1.914 -8.671 -1.354 243 HE ARG 47 HE ARG 47 4.123 -10.139 -1.813 244 1HH1 ARG 47 1HH1 ARG 47 1.600 -10.395 0.598 245 2HH1 ARG 47 2HH1 ARG 47 1.741 -12.115 0.735 246 1HH2 ARG 47 1HH2 ARG 47 4.300 -12.398 -1.627 247 2HH2 ARG 47 2HH2 ARG 47 3.271 -13.250 -0.525 248 HA PRO 48 HA PRO 48 4.788 -5.379 -7.140 249 1HB PRO 48 2HB PRO 48 7.593 -5.237 -6.462 250 2HB PRO 48 1HB PRO 48 6.499 -3.933 -6.914 251 1HG PRO 48 2HG PRO 48 7.570 -4.222 -4.414 252 2HG PRO 48 1HG PRO 48 6.035 -3.399 -4.743 253 1HD PRO 48 2HD PRO 48 6.522 -6.182 -3.749 254 2HD PRO 48 1HD PRO 48 5.290 -5.003 -3.247 255 H SER 49 HN SER 49 4.282 -8.004 -6.724 256 HA SER 49 HA SER 49 6.625 -9.584 -7.305 257 1HB SER 49 2HB SER 49 4.547 -10.296 -5.908 258 2HB SER 49 1HB SER 49 3.826 -10.624 -7.484 259 HG SER 49 HG SER 49 5.107 -12.351 -6.282 260 H GLU 50 HN GLU 50 3.669 -8.651 -8.891 261 HA GLU 50 HA GLU 50 4.446 -9.743 -11.425 262 1HB GLU 50 2HB GLU 50 2.289 -9.031 -12.145 263 2HB GLU 50 1HB GLU 50 2.114 -9.728 -10.552 264 1HG GLU 50 2HG GLU 50 2.141 -7.461 -9.604 265 2HG GLU 50 1HG GLU 50 2.167 -6.818 -11.244 266 H ARG 51 HN ARG 51 4.164 -6.668 -9.835 267 HA ARG 51 HA ARG 51 5.533 -5.364 -12.094 268 1HB ARG 51 2HB ARG 51 3.253 -4.538 -11.874 269 2HB ARG 51 1HB ARG 51 3.514 -4.199 -10.174 270 1HG ARG 51 2HG ARG 51 4.974 -2.413 -10.649 271 2HG ARG 51 1HG ARG 51 5.108 -2.882 -12.346 272 1HD ARG 51 2HD ARG 51 2.452 -2.549 -12.175 273 2HD ARG 51 1HD ARG 51 2.970 -1.402 -10.942 274 HE ARG 51 HE ARG 51 3.719 -0.029 -12.603 275 1HH1 ARG 51 1HH1 ARG 51 3.372 -3.248 -13.930 276 2HH1 ARG 51 2HH1 ARG 51 3.714 -2.746 -15.551 277 1HH2 ARG 51 1HH2 ARG 51 4.166 0.621 -14.735 278 2HH2 ARG 51 2HH2 ARG 51 4.165 -0.553 -16.008 279 HA PRO 52 HA PRO 52 8.412 -4.598 -8.718 280 1HB PRO 52 2HB PRO 52 10.618 -4.263 -10.195 281 2HB PRO 52 1HB PRO 52 9.871 -5.855 -10.009 282 1HG PRO 52 2HG PRO 52 9.878 -4.037 -12.343 283 2HG PRO 52 1HG PRO 52 9.732 -5.800 -12.290 284 1HD PRO 52 2HD PRO 52 7.631 -3.869 -12.542 285 2HD PRO 52 1HD PRO 52 7.479 -5.632 -12.429 286 H GLY 53 HN GLY 53 8.074 -2.699 -7.758 287 1HA GLY 53 2HA GLY 53 9.186 -0.511 -7.538 288 2HA GLY 53 1HA GLY 53 8.845 -0.269 -9.239 289 H TRP 54 HN TRP 54 6.208 -1.762 -8.092 290 HA TRP 54 HA TRP 54 4.839 0.717 -7.568 291 1HB TRP 54 2HB TRP 54 3.070 -0.027 -8.787 292 2HB TRP 54 1HB TRP 54 4.387 -0.804 -9.623 293 HD1 TRP 54 1HD TRP 54 4.723 -3.265 -7.542 294 HE1 TRP 54 1HE TRP 54 2.927 -5.130 -7.563 295 HE3 TRP 54 3HE TRP 54 0.958 -0.673 -9.717 296 HZ2 TRP 54 2HZ TRP 54 0.241 -5.432 -8.423 297 HZ3 TRP 54 3HZ TRP 54 -1.207 -1.795 -10.126 298 HH2 TRP 54 2HH TRP 54 -1.555 -4.127 -9.482 299 H CYS 55 HN CYS 55 2.830 0.587 -6.271 300 HA CYS 55 HA CYS 55 2.575 -1.597 -4.415 301 1HB CYS 55 2HB CYS 55 4.328 0.240 -3.572 302 2HB CYS 55 1HB CYS 55 2.859 0.930 -2.928 303 HG CYS 55 HG CYS 55 4.185 -0.885 -1.346 304 H LEU 56 HN LEU 56 0.741 -1.476 -3.087 305 HA LEU 56 HA LEU 56 -1.349 0.263 -4.189 306 1HB LEU 56 2HB LEU 56 -1.315 -2.514 -3.100 307 2HB LEU 56 1HB LEU 56 -2.796 -1.596 -3.125 308 HG LEU 56 HG LEU 56 -2.904 -1.570 -5.461 309 1HD1 LEU 56 1HD1 LEU 56 -0.677 -0.842 -6.012 310 2HD1 LEU 56 2HD1 LEU 56 -1.009 -2.326 -6.904 311 3HD1 LEU 56 3HD1 LEU 56 0.009 -2.372 -5.465 312 1HD2 LEU 56 1HD2 LEU 56 -2.055 -4.118 -4.249 313 2HD2 LEU 56 2HD2 LEU 56 -2.074 -4.058 -6.010 314 3HD2 LEU 56 3HD2 LEU 56 -3.542 -3.708 -5.098 315 H VAL 57 HN VAL 57 -3.103 0.926 -2.712 316 HA VAL 57 HA VAL 57 -2.273 1.054 0.104 317 HB VAL 57 HB VAL 57 -3.270 3.507 -0.059 318 1HG1 VAL 57 1HG1 VAL 57 -0.692 3.994 -0.934 319 2HG1 VAL 57 2HG1 VAL 57 -0.604 2.383 -0.223 320 3HG1 VAL 57 3HG1 VAL 57 -1.202 3.737 0.733 321 1HG2 VAL 57 1HG2 VAL 57 -3.524 2.964 -2.651 322 2HG2 VAL 57 2HG2 VAL 57 -1.882 3.609 -2.656 323 3HG2 VAL 57 3HG2 VAL 57 -3.213 4.587 -2.034 324 H ARG 58 HN ARG 58 -3.897 0.458 1.444 325 HA ARG 58 HA ARG 58 -6.642 0.470 0.432 326 1HB ARG 58 2HB ARG 58 -6.142 -1.689 1.147 327 2HB ARG 58 1HB ARG 58 -5.183 -1.126 2.490 328 1HG ARG 58 2HG ARG 58 -7.169 -2.177 3.325 329 2HG ARG 58 1HG ARG 58 -7.252 -0.449 3.658 330 1HD ARG 58 2HD ARG 58 -9.311 -1.747 2.682 331 2HD ARG 58 1HD ARG 58 -8.954 -0.110 2.174 332 HE ARG 58 HE ARG 58 -7.930 -1.023 0.171 333 1HH1 ARG 58 1HH1 ARG 58 -10.059 -3.212 1.965 334 2HH1 ARG 58 2HH1 ARG 58 -10.296 -4.257 0.615 335 1HH2 ARG 58 1HH2 ARG 58 -8.276 -2.466 -1.564 336 2HH2 ARG 58 2HH2 ARG 58 -9.302 -3.841 -1.364 337 H THR 59 HN THR 59 -8.305 1.591 1.499 338 HA THR 59 HA THR 59 -7.461 3.501 3.526 339 HB THR 59 HB THR 59 -10.145 3.354 2.252 340 HG1 THR 59 1HG THR 59 -8.661 3.301 0.542 341 1HG2 THR 59 1HG2 THR 59 -9.984 5.003 3.933 342 2HG2 THR 59 2HG2 THR 59 -10.041 5.787 2.353 343 3HG2 THR 59 3HG2 THR 59 -8.507 5.645 3.213 344 H THR 60 HN THR 60 -7.980 3.204 5.611 345 HA THR 60 HA THR 60 -10.100 1.252 6.229 346 HB THR 60 HB THR 60 -8.084 0.218 6.882 347 HG1 THR 60 1HG THR 60 -9.605 0.141 8.543 348 1HG2 THR 60 1HG2 THR 60 -7.208 2.928 7.554 349 2HG2 THR 60 2HG2 THR 60 -6.284 1.534 6.995 350 3HG2 THR 60 3HG2 THR 60 -6.716 1.679 8.698 351 H GLU 61 HN GLU 61 -9.011 4.481 6.666 352 HA GLU 61 HA GLU 61 -10.572 4.869 9.084 353 1HB GLU 61 2HB GLU 61 -8.280 6.017 8.338 354 2HB GLU 61 1HB GLU 61 -9.395 7.176 7.625 355 1HG GLU 61 2HG GLU 61 -9.314 8.163 9.623 356 2HG GLU 61 1HG GLU 61 -10.440 6.898 10.114 357 H ARG 62 HN ARG 62 -11.652 4.290 6.259 358 HA ARG 62 HA ARG 62 -13.839 6.170 6.404 359 1HB ARG 62 2HB ARG 62 -11.853 5.961 4.232 360 2HB ARG 62 1HB ARG 62 -13.527 5.943 3.708 361 1HG ARG 62 2HG ARG 62 -13.530 8.010 5.474 362 2HG ARG 62 1HG ARG 62 -11.910 8.122 4.786 363 1HD ARG 62 2HD ARG 62 -12.725 9.028 2.927 364 2HD ARG 62 1HD ARG 62 -13.793 7.646 2.684 365 HE ARG 62 HE ARG 62 -15.526 8.932 3.406 366 1HH1 ARG 62 1HH1 ARG 62 -12.561 10.383 4.563 367 2HH1 ARG 62 2HH1 ARG 62 -13.356 11.774 5.217 368 1HH2 ARG 62 1HH2 ARG 62 -16.563 10.762 4.268 369 2HH2 ARG 62 2HH2 ARG 62 -15.623 11.990 5.051 370 H SER 63 HN SER 63 -15.219 4.566 7.042 371 HA SER 63 HA SER 63 -15.249 2.013 5.718 372 1HB SER 63 2HB SER 63 -16.731 3.236 8.008 373 2HB SER 63 1HB SER 63 -17.400 1.802 7.231 374 HG SER 63 HG SER 63 -16.059 1.141 8.885 375 HA PRO 64 HA PRO 64 -16.234 0.423 4.741 376 1HB PRO 64 2HB PRO 64 -16.480 -0.379 2.185 377 2HB PRO 64 1HB PRO 64 -17.825 -0.473 3.328 378 1HG PRO 64 2HG PRO 64 -17.270 1.581 1.223 379 2HG PRO 64 1HG PRO 64 -18.802 0.797 1.646 380 1HD PRO 64 2HD PRO 64 -18.113 3.293 2.498 381 2HD PRO 64 1HD PRO 64 -19.185 2.212 3.410 382 HA PRO 65 HA PRO 65 -12.017 1.388 3.656 383 1HB PRO 65 2HB PRO 65 -12.090 -1.272 2.294 384 2HB PRO 65 1HB PRO 65 -10.876 -0.600 3.388 385 1HG PRO 65 2HG PRO 65 -12.651 -2.389 4.258 386 2HG PRO 65 1HG PRO 65 -12.142 -1.032 5.279 387 1HD PRO 65 2HD PRO 65 -14.712 -1.476 3.867 388 2HD PRO 65 1HD PRO 65 -14.378 -0.555 5.345 389 H GLN 66 HN GLN 66 -10.602 1.612 1.816 390 HA GLN 66 HA GLN 66 -11.932 1.686 -0.761 391 1HB GLN 66 2HB GLN 66 -11.161 3.943 0.826 392 2HB GLN 66 1HB GLN 66 -10.172 3.899 -0.612 393 1HG GLN 66 2HG GLN 66 -12.871 3.411 -1.329 394 2HG GLN 66 1HG GLN 66 -12.800 4.831 -0.288 395 1HE2 GLN 66 1HE2 GLN 66 -11.111 6.446 -0.893 396 2HE2 GLN 66 2HE2 GLN 66 -10.889 6.766 -2.575 397 H GLU 67 HN GLU 67 -10.101 2.038 -2.530 398 HA GLU 67 HA GLU 67 -7.623 0.844 -1.563 399 1HB GLU 67 2HB GLU 67 -8.355 -0.247 -4.161 400 2HB GLU 67 1HB GLU 67 -7.719 -1.046 -2.744 401 1HG GLU 67 2HG GLU 67 -9.977 -1.134 -1.788 402 2HG GLU 67 1HG GLU 67 -10.607 -0.352 -3.237 403 H GLY 68 HN GLY 68 -5.821 1.236 -2.764 404 1HA GLY 68 2HA GLY 68 -6.121 3.129 -5.014 405 2HA GLY 68 1HA GLY 68 -5.142 3.591 -3.637 406 H LEU 69 HN LEU 69 -4.149 3.556 -6.187 407 HA LEU 69 HA LEU 69 -2.087 1.509 -5.944 408 1HB LEU 69 2HB LEU 69 -3.962 1.888 -8.201 409 2HB LEU 69 1HB LEU 69 -2.288 1.567 -8.613 410 HG LEU 69 HG LEU 69 -2.508 -0.408 -6.964 411 1HD1 LEU 69 1HD1 LEU 69 -5.255 0.578 -7.122 412 2HD1 LEU 69 2HD1 LEU 69 -4.495 -0.479 -5.935 413 3HD1 LEU 69 3HD1 LEU 69 -5.095 -1.146 -7.450 414 1HD2 LEU 69 1HD2 LEU 69 -2.790 -1.796 -8.757 415 2HD2 LEU 69 2HD2 LEU 69 -2.447 -0.281 -9.592 416 3HD2 LEU 69 3HD2 LEU 69 -4.112 -0.841 -9.428 417 H VAL 70 HN VAL 70 -0.106 2.218 -6.282 418 HA VAL 70 HA VAL 70 0.513 4.417 -8.010 419 HB VAL 70 HB VAL 70 1.837 5.343 -5.743 420 1HG1 VAL 70 1HG1 VAL 70 0.522 7.328 -6.012 421 2HG1 VAL 70 2HG1 VAL 70 -0.735 6.432 -6.864 422 3HG1 VAL 70 3HG1 VAL 70 0.854 6.640 -7.601 423 1HG2 VAL 70 1HG2 VAL 70 -0.031 3.885 -4.542 424 2HG2 VAL 70 2HG2 VAL 70 -0.997 5.327 -4.848 425 3HG2 VAL 70 3HG2 VAL 70 0.488 5.445 -3.906 426 HA PRO 71 HA PRO 71 4.288 2.236 -7.755 427 1HB PRO 71 2HB PRO 71 6.217 3.962 -8.347 428 2HB PRO 71 1HB PRO 71 4.970 3.509 -9.516 429 1HG PRO 71 2HG PRO 71 5.261 6.019 -7.946 430 2HG PRO 71 1HG PRO 71 4.531 5.771 -9.540 431 1HD PRO 71 2HD PRO 71 3.176 5.983 -7.051 432 2HD PRO 71 1HD PRO 71 2.474 5.548 -8.611 433 H SER 72 HN SER 72 6.187 1.745 -6.613 434 HA SER 72 HA SER 72 6.167 2.058 -3.909 435 1HB SER 72 2HB SER 72 7.506 0.322 -4.709 436 2HB SER 72 1HB SER 72 8.340 1.361 -5.861 437 HG SER 72 HG SER 72 9.664 2.037 -4.326 438 H SER 73 HN SER 73 7.427 4.264 -6.294 439 HA SER 73 HA SER 73 9.201 5.740 -4.707 440 1HB SER 73 2HB SER 73 7.547 7.218 -6.689 441 2HB SER 73 1HB SER 73 9.296 7.209 -6.464 442 HG SER 73 HG SER 73 8.995 6.098 -8.308 443 H THR 74 HN THR 74 5.704 5.755 -4.948 444 HA THR 74 HA THR 74 5.553 7.989 -3.046 445 HB THR 74 HB THR 74 3.623 8.600 -4.035 446 HG1 THR 74 1HG THR 74 2.251 7.001 -3.576 447 1HG2 THR 74 1HG2 THR 74 5.131 8.479 -5.909 448 2HG2 THR 74 2HG2 THR 74 3.478 8.120 -6.402 449 3HG2 THR 74 3HG2 THR 74 4.645 6.818 -6.193 450 H LEU 75 HN LEU 75 5.848 4.802 -2.792 451 HA LEU 75 HA LEU 75 4.072 4.634 -0.493 452 1HB LEU 75 2HB LEU 75 4.451 2.509 -2.585 453 2HB LEU 75 1HB LEU 75 3.588 2.297 -1.087 454 HG LEU 75 HG LEU 75 2.458 4.544 -2.423 455 1HD1 LEU 75 1HD1 LEU 75 2.785 4.038 -4.580 456 2HD1 LEU 75 2HD1 LEU 75 1.591 2.770 -4.322 457 3HD1 LEU 75 3HD1 LEU 75 3.308 2.395 -4.217 458 1HD2 LEU 75 1HD2 LEU 75 1.416 1.761 -1.877 459 2HD2 LEU 75 2HD2 LEU 75 0.426 3.124 -2.395 460 3HD2 LEU 75 3HD2 LEU 75 1.254 3.177 -0.839 461 H CYS 76 HN CYS 76 5.040 3.800 1.229 462 HA CYS 76 HA CYS 76 7.801 3.456 1.389 463 1HB CYS 76 2HB CYS 76 6.130 3.865 3.292 464 2HB CYS 76 1HB CYS 76 5.885 2.122 3.293 465 HG CYS 76 HG CYS 76 8.786 2.543 3.590 466 H ILE 77 HN ILE 77 9.131 1.833 0.906 467 HA ILE 77 HA ILE 77 8.041 -0.878 0.697 468 HB ILE 77 HB ILE 77 9.140 -1.309 -1.388 469 1HG1 ILE 77 2HG1 ILE 77 11.113 0.169 -1.035 470 2HG1 ILE 77 1HG1 ILE 77 10.400 0.351 -2.633 471 1HG2 ILE 77 1HG2 ILE 77 7.865 1.296 -2.014 472 2HG2 ILE 77 2HG2 ILE 77 6.903 0.088 -1.172 473 3HG2 ILE 77 3HG2 ILE 77 7.615 -0.289 -2.739 474 1HD1 ILE 77 1HD1 ILE 77 10.701 2.288 -0.475 475 2HD1 ILE 77 2HD1 ILE 77 9.103 2.282 -1.219 476 3HD1 ILE 77 3HD1 ILE 77 10.536 2.535 -2.213 477 H SER 78 HN SER 78 9.887 -2.513 0.416 478 HA SER 78 HA SER 78 12.358 -1.673 1.725 479 1HB SER 78 2HB SER 78 10.803 -4.045 2.764 480 2HB SER 78 1HB SER 78 12.239 -3.303 3.467 481 HG SER 78 HG SER 78 9.609 -2.604 3.717 482 H HIS 79 HN HIS 79 10.597 -4.548 0.559 483 HA HIS 79 HA HIS 79 12.859 -6.055 -0.111 484 1HB HIS 79 2HB HIS 79 10.008 -6.110 -1.073 485 2HB HIS 79 1HB HIS 79 11.213 -7.221 -1.717 486 HD1 HIS 79 1HD HIS 79 8.881 -8.431 -0.260 487 HD2 HIS 79 2HD HIS 79 12.381 -7.286 1.664 488 HE1 HIS 79 1HE HIS 79 8.951 -9.777 1.862 489 HE2 HIS 79 2HE HIS 79 11.034 -9.003 3.052 490 H SER 80 HN SER 80 10.695 -4.290 -2.337 491 HA SER 80 HA SER 80 12.870 -4.230 -4.302 492 1HB SER 80 2HB SER 80 11.199 -3.790 -5.966 493 2HB SER 80 1HB SER 80 10.591 -5.099 -4.952 494 HG SER 80 HG SER 80 9.679 -2.500 -5.243 Start of MODEL 14 1 H SER 14 HN SER 14 -7.060 -14.607 -1.202 2 HA SER 14 HA SER 14 -5.379 -15.311 0.163 3 1HB SER 14 2HB SER 14 -3.924 -16.181 -2.336 4 2HB SER 14 1HB SER 14 -3.779 -16.850 -0.711 5 HG SER 14 HG SER 14 -5.100 -18.215 -1.822 6 H GLY 15 HN GLY 15 -5.353 -12.601 -0.813 7 1HA GLY 15 2HA GLY 15 -2.496 -12.016 -1.121 8 2HA GLY 15 1HA GLY 15 -3.814 -10.885 -1.385 9 H GLY 16 HN GLY 16 -1.384 -10.582 0.229 10 1HA GLY 16 2HA GLY 16 -2.552 -10.375 2.928 11 2HA GLY 16 1HA GLY 16 -0.832 -10.418 2.572 12 H CYS 17 HN CYS 17 -2.640 -8.462 4.012 13 HA CYS 17 HA CYS 17 -1.964 -6.060 2.480 14 1HB CYS 17 2HB CYS 17 -3.628 -4.958 4.116 15 2HB CYS 17 1HB CYS 17 -4.270 -5.945 2.811 16 HG CYS 17 HG CYS 17 -5.536 -6.986 4.649 17 H GLU 18 HN GLU 18 -0.588 -4.669 3.278 18 HA GLU 18 HA GLU 18 0.275 -4.948 6.074 19 1HB GLU 18 2HB GLU 18 1.964 -5.974 4.652 20 2HB GLU 18 1HB GLU 18 2.051 -4.524 3.664 21 1HG GLU 18 2HG GLU 18 3.040 -3.283 5.428 22 2HG GLU 18 1HG GLU 18 2.717 -4.565 6.594 23 H LEU 19 HN LEU 19 0.976 -3.046 7.075 24 HA LEU 19 HA LEU 19 -0.324 -0.688 6.084 25 1HB LEU 19 2HB LEU 19 1.540 -0.343 8.325 26 2HB LEU 19 1HB LEU 19 -0.101 0.224 8.132 27 HG LEU 19 HG LEU 19 0.749 -2.534 8.991 28 1HD1 LEU 19 1HD1 LEU 19 0.205 -1.957 11.117 29 2HD1 LEU 19 2HD1 LEU 19 -1.005 -0.780 10.605 30 3HD1 LEU 19 3HD1 LEU 19 0.709 -0.372 10.528 31 1HD2 LEU 19 1HD2 LEU 19 -1.477 -2.007 7.525 32 2HD2 LEU 19 2HD2 LEU 19 -2.082 -1.786 9.166 33 3HD2 LEU 19 3HD2 LEU 19 -1.337 -3.315 8.697 34 H THR 20 HN THR 20 0.497 0.928 5.001 35 HA THR 20 HA THR 20 3.395 1.274 4.842 36 HB THR 20 HB THR 20 2.738 -0.117 2.914 37 HG1 THR 20 1HG THR 20 4.059 0.961 1.681 38 1HG2 THR 20 1HG2 THR 20 0.500 0.491 2.463 39 2HG2 THR 20 2HG2 THR 20 1.460 0.989 1.069 40 3HG2 THR 20 3HG2 THR 20 0.932 2.188 2.251 41 H VAL 21 HN VAL 21 4.055 3.358 4.144 42 HA VAL 21 HA VAL 21 1.970 5.409 4.440 43 HB VAL 21 HB VAL 21 3.947 6.887 5.136 44 1HG1 VAL 21 1HG1 VAL 21 2.305 6.358 6.743 45 2HG1 VAL 21 2HG1 VAL 21 3.859 6.006 7.499 46 3HG1 VAL 21 3HG1 VAL 21 2.865 4.690 6.873 47 1HG2 VAL 21 1HG2 VAL 21 5.194 4.177 5.543 48 2HG2 VAL 21 2HG2 VAL 21 5.801 5.673 6.248 49 3HG2 VAL 21 3HG2 VAL 21 5.777 5.472 4.498 50 H VAL 22 HN VAL 22 1.692 6.712 2.734 51 HA VAL 22 HA VAL 22 3.192 6.323 0.385 52 HB VAL 22 HB VAL 22 1.948 8.557 -0.259 53 1HG1 VAL 22 1HG1 VAL 22 1.348 6.789 -1.516 54 2HG1 VAL 22 2HG1 VAL 22 -0.132 6.960 -0.571 55 3HG1 VAL 22 3HG1 VAL 22 1.073 5.754 -0.115 56 1HG2 VAL 22 1HG2 VAL 22 -0.047 9.014 0.877 57 2HG2 VAL 22 2HG2 VAL 22 1.174 8.865 2.140 58 3HG2 VAL 22 3HG2 VAL 22 0.063 7.533 1.826 59 H LEU 23 HN LEU 23 4.970 7.230 -0.284 60 HA LEU 23 HA LEU 23 6.319 9.118 1.341 61 1HB LEU 23 2HB LEU 23 7.289 8.399 -1.387 62 2HB LEU 23 1HB LEU 23 8.213 8.716 0.067 63 HG LEU 23 HG LEU 23 6.649 6.211 -0.563 64 1HD1 LEU 23 1HD1 LEU 23 9.193 5.452 -0.046 65 2HD1 LEU 23 2HD1 LEU 23 9.462 7.023 -0.803 66 3HD1 LEU 23 3HD1 LEU 23 8.557 5.774 -1.659 67 1HD2 LEU 23 1HD2 LEU 23 6.811 5.526 1.569 68 2HD2 LEU 23 2HD2 LEU 23 6.982 7.240 1.943 69 3HD2 LEU 23 3HD2 LEU 23 8.415 6.228 1.777 70 H GLN 24 HN GLN 24 4.268 9.369 -1.431 71 HA GLN 24 HA GLN 24 4.723 12.239 -1.420 72 1HB GLN 24 2HB GLN 24 5.404 12.423 -3.585 73 2HB GLN 24 1HB GLN 24 6.074 10.860 -3.222 74 1HG GLN 24 2HG GLN 24 5.062 10.072 -5.003 75 2HG GLN 24 1HG GLN 24 3.511 10.355 -4.230 76 1HE2 GLN 24 1HE2 GLN 24 4.404 10.516 -7.054 77 2HE2 GLN 24 2HE2 GLN 24 3.944 12.095 -7.582 78 H ASP 25 HN ASP 25 2.933 13.447 -2.419 79 HA ASP 25 HA ASP 25 0.420 12.215 -1.842 80 1HB ASP 25 2HB ASP 25 0.059 14.594 -3.443 81 2HB ASP 25 1HB ASP 25 -0.416 14.278 -1.793 82 H PHE 26 HN PHE 26 -1.205 11.682 -3.259 83 HA PHE 26 HA PHE 26 -0.627 11.656 -6.111 84 1HB PHE 26 2HB PHE 26 0.220 9.508 -5.150 85 2HB PHE 26 1HB PHE 26 -1.422 9.121 -4.692 86 HD1 PHE 26 1HD PHE 26 -2.891 8.120 -6.193 87 HD2 PHE 26 2HD PHE 26 0.693 9.915 -7.627 88 HE1 PHE 26 1HE PHE 26 -3.311 7.174 -8.424 89 HE2 PHE 26 2HE PHE 26 0.278 8.972 -9.860 90 HZ PHE 26 HZ PHE 26 -1.727 7.600 -10.261 91 H SER 27 HN SER 27 -2.454 11.289 -7.427 92 HA SER 27 HA SER 27 -5.014 11.450 -6.041 93 1HB SER 27 2HB SER 27 -5.509 12.788 -8.302 94 2HB SER 27 1HB SER 27 -4.916 13.583 -6.856 95 HG SER 27 HG SER 27 -3.454 14.253 -8.245 96 H ALA 28 HN ALA 28 -6.557 10.142 -6.874 97 HA ALA 28 HA ALA 28 -5.979 7.879 -8.225 98 1HB ALA 28 1HB ALA 28 -8.247 7.418 -8.236 99 2HB ALA 28 2HB ALA 28 -8.682 9.107 -8.471 100 3HB ALA 28 3HB ALA 28 -8.066 8.567 -6.915 101 H ALA 29 HN ALA 29 -7.518 7.271 -10.203 102 HA ALA 29 HA ALA 29 -7.927 8.905 -12.372 103 1HB ALA 29 1HB ALA 29 -5.765 9.533 -12.787 104 2HB ALA 29 2HB ALA 29 -5.822 8.044 -13.731 105 3HB ALA 29 3HB ALA 29 -5.089 8.043 -12.127 106 H HIS 30 HN HIS 30 -6.902 5.774 -11.180 107 HA HIS 30 HA HIS 30 -8.205 4.479 -13.460 108 1HB HIS 30 2HB HIS 30 -5.764 3.954 -12.328 109 2HB HIS 30 1HB HIS 30 -6.788 2.737 -11.573 110 HD1 HIS 30 1HD HIS 30 -7.631 0.829 -13.040 111 HD2 HIS 30 2HD HIS 30 -5.474 3.696 -15.135 112 HE1 HIS 30 1HE HIS 30 -7.201 -0.176 -15.304 113 HE2 HIS 30 2HE HIS 30 -5.969 1.612 -16.584 114 H SER 31 HN SER 31 -9.046 2.207 -12.725 115 HA SER 31 HA SER 31 -11.500 2.435 -11.641 116 1HB SER 31 2HB SER 31 -10.848 0.408 -12.740 117 2HB SER 31 1HB SER 31 -9.648 0.053 -11.498 118 HG SER 31 HG SER 31 -12.470 0.039 -11.250 119 H SER 32 HN SER 32 -9.097 0.713 -9.674 120 HA SER 32 HA SER 32 -10.475 1.653 -7.292 121 1HB SER 32 2HB SER 32 -8.152 -0.268 -7.356 122 2HB SER 32 1HB SER 32 -9.403 -0.105 -6.124 123 HG SER 32 HG SER 32 -9.394 -1.664 -8.288 124 H GLU 33 HN GLU 33 -9.106 3.732 -8.536 125 HA GLU 33 HA GLU 33 -6.657 4.074 -6.993 126 1HB GLU 33 2HB GLU 33 -7.758 5.217 -9.495 127 2HB GLU 33 1HB GLU 33 -6.726 6.244 -8.528 128 1HG GLU 33 2HG GLU 33 -5.281 4.014 -8.535 129 2HG GLU 33 1HG GLU 33 -6.092 3.876 -10.087 130 H LEU 34 HN LEU 34 -6.310 5.973 -5.780 131 HA LEU 34 HA LEU 34 -8.544 7.728 -5.277 132 1HB LEU 34 2HB LEU 34 -7.972 7.340 -2.732 133 2HB LEU 34 1HB LEU 34 -9.203 6.430 -3.577 134 HG LEU 34 HG LEU 34 -7.307 4.681 -3.973 135 1HD1 LEU 34 1HD1 LEU 34 -6.165 6.514 -1.910 136 2HD1 LEU 34 2HD1 LEU 34 -5.363 5.654 -3.225 137 3HD1 LEU 34 3HD1 LEU 34 -5.874 4.779 -1.781 138 1HD2 LEU 34 1HD2 LEU 34 -8.723 5.275 -1.388 139 2HD2 LEU 34 2HD2 LEU 34 -7.803 3.792 -1.639 140 3HD2 LEU 34 3HD2 LEU 34 -9.198 4.149 -2.657 141 H SER 35 HN SER 35 -7.917 9.514 -3.811 142 HA SER 35 HA SER 35 -5.256 10.391 -4.451 143 1HB SER 35 2HB SER 35 -6.298 12.513 -3.214 144 2HB SER 35 1HB SER 35 -6.634 12.166 -4.908 145 HG SER 35 HG SER 35 -8.315 12.172 -2.771 146 H ILE 36 HN ILE 36 -3.693 10.583 -3.101 147 HA ILE 36 HA ILE 36 -4.191 10.314 -0.220 148 HB ILE 36 HB ILE 36 -2.068 9.004 -0.058 149 1HG1 ILE 36 2HG1 ILE 36 -1.665 7.796 -2.411 150 2HG1 ILE 36 1HG1 ILE 36 -2.238 9.342 -3.002 151 1HG2 ILE 36 1HG2 ILE 36 -3.718 7.498 0.191 152 2HG2 ILE 36 2HG2 ILE 36 -3.249 6.975 -1.426 153 3HG2 ILE 36 3HG2 ILE 36 -4.603 8.085 -1.217 154 1HD1 ILE 36 1HD1 ILE 36 0.212 9.193 -2.848 155 2HD1 ILE 36 2HD1 ILE 36 0.055 8.998 -1.106 156 3HD1 ILE 36 3HD1 ILE 36 -0.470 10.488 -1.871 157 H GLN 37 HN GLN 37 -2.074 10.852 0.979 158 HA GLN 37 HA GLN 37 -0.683 13.078 -0.272 159 1HB GLN 37 2HB GLN 37 -2.389 13.052 2.140 160 2HB GLN 37 1HB GLN 37 -0.893 13.952 2.257 161 1HG GLN 37 2HG GLN 37 -1.727 15.640 1.086 162 2HG GLN 37 1HG GLN 37 -2.237 14.556 -0.208 163 1HE2 GLN 37 1HE2 GLN 37 -4.087 15.912 -0.444 164 2HE2 GLN 37 2HE2 GLN 37 -5.435 15.748 0.626 165 H VAL 38 HN VAL 38 1.368 13.531 0.589 166 HA VAL 38 HA VAL 38 2.860 11.251 1.368 167 HB VAL 38 HB VAL 38 3.841 13.064 0.066 168 1HG1 VAL 38 1HG1 VAL 38 4.133 14.873 2.372 169 2HG1 VAL 38 2HG1 VAL 38 2.530 14.775 1.645 170 3HG1 VAL 38 3HG1 VAL 38 3.918 15.235 0.660 171 1HG2 VAL 38 1HG2 VAL 38 5.963 13.056 1.037 172 2HG2 VAL 38 2HG2 VAL 38 5.200 11.612 1.703 173 3HG2 VAL 38 3HG2 VAL 38 5.314 13.078 2.676 174 H GLY 39 HN GLY 39 2.895 10.365 3.371 175 1HA GLY 39 2HA GLY 39 3.806 10.799 5.627 176 2HA GLY 39 1HA GLY 39 2.773 12.211 5.678 177 H GLN 40 HN GLN 40 0.667 10.340 4.328 178 HA GLN 40 HA GLN 40 -0.527 9.610 6.803 179 1HB GLN 40 2HB GLN 40 -2.458 9.136 5.536 180 2HB GLN 40 1HB GLN 40 -1.764 10.614 4.937 181 1HG GLN 40 2HG GLN 40 -0.787 9.420 3.101 182 2HG GLN 40 1HG GLN 40 -1.443 7.918 3.713 183 1HE2 GLN 40 1HE2 GLN 40 -2.878 11.119 3.383 184 2HE2 GLN 40 2HE2 GLN 40 -4.192 10.602 2.400 185 H THR 41 HN THR 41 -1.712 7.462 6.914 186 HA THR 41 HA THR 41 0.103 5.319 6.018 187 HB THR 41 HB THR 41 -1.324 5.575 8.662 188 HG1 THR 41 1HG THR 41 1.368 4.877 8.193 189 1HG2 THR 41 1HG2 THR 41 -1.746 3.341 8.454 190 2HG2 THR 41 2HG2 THR 41 -0.067 3.230 8.982 191 3HG2 THR 41 3HG2 THR 41 -0.463 3.095 7.270 192 H VAL 42 HN VAL 42 -0.759 3.958 4.698 193 HA VAL 42 HA VAL 42 -3.436 3.016 5.188 194 HB VAL 42 HB VAL 42 -2.838 4.758 2.929 195 1HG1 VAL 42 1HG1 VAL 42 -2.546 2.931 1.558 196 2HG1 VAL 42 2HG1 VAL 42 -4.250 3.334 1.350 197 3HG1 VAL 42 3HG1 VAL 42 -3.760 2.005 2.379 198 1HG2 VAL 42 1HG2 VAL 42 -5.281 3.577 4.211 199 2HG2 VAL 42 2HG2 VAL 42 -5.396 4.509 2.719 200 3HG2 VAL 42 3HG2 VAL 42 -4.751 5.259 4.179 201 H GLU 43 HN GLU 43 -3.685 0.945 4.738 202 HA GLU 43 HA GLU 43 -1.314 -0.581 4.491 203 1HB GLU 43 2HB GLU 43 -2.758 -2.512 4.862 204 2HB GLU 43 1HB GLU 43 -3.107 -1.229 6.013 205 1HG GLU 43 2HG GLU 43 -5.014 -0.537 4.592 206 2HG GLU 43 1HG GLU 43 -4.697 -1.920 3.549 207 H LEU 44 HN LEU 44 -0.409 -1.431 2.739 208 HA LEU 44 HA LEU 44 -1.580 -1.134 0.193 209 1HB LEU 44 2HB LEU 44 0.335 -2.515 -0.589 210 2HB LEU 44 1HB LEU 44 0.743 -1.036 0.217 211 HG LEU 44 HG LEU 44 1.033 -2.592 2.311 212 1HD1 LEU 44 1HD1 LEU 44 2.026 -4.701 0.616 213 2HD1 LEU 44 2HD1 LEU 44 0.288 -4.491 0.410 214 3HD1 LEU 44 3HD1 LEU 44 0.955 -4.790 2.013 215 1HD2 LEU 44 1HD2 LEU 44 2.744 -1.347 0.714 216 2HD2 LEU 44 2HD2 LEU 44 3.176 -3.009 0.313 217 3HD2 LEU 44 3HD2 LEU 44 3.274 -2.451 1.983 218 H LEU 45 HN LEU 45 -2.224 -2.614 -1.244 219 HA LEU 45 HA LEU 45 -3.749 -4.783 -0.159 220 1HB LEU 45 2HB LEU 45 -3.316 -4.289 -3.084 221 2HB LEU 45 1HB LEU 45 -4.699 -5.014 -2.297 222 HG LEU 45 HG LEU 45 -3.994 -2.109 -1.891 223 1HD1 LEU 45 1HD1 LEU 45 -4.327 -2.084 -4.186 224 2HD1 LEU 45 2HD1 LEU 45 -5.957 -1.827 -3.572 225 3HD1 LEU 45 3HD1 LEU 45 -5.470 -3.423 -4.138 226 1HD2 LEU 45 1HD2 LEU 45 -6.367 -3.849 -1.371 227 2HD2 LEU 45 2HD2 LEU 45 -6.524 -2.105 -1.536 228 3HD2 LEU 45 3HD2 LEU 45 -5.504 -2.778 -0.270 229 H GLU 46 HN GLU 46 -1.202 -4.703 -2.703 230 HA GLU 46 HA GLU 46 -0.403 -7.352 -1.792 231 1HB GLU 46 2HB GLU 46 -0.215 -8.116 -4.024 232 2HB GLU 46 1HB GLU 46 -1.797 -7.388 -3.884 233 1HG GLU 46 2HG GLU 46 -0.464 -5.278 -4.795 234 2HG GLU 46 1HG GLU 46 0.556 -6.550 -5.465 235 H ARG 47 HN ARG 47 1.669 -7.492 -3.846 236 HA ARG 47 HA ARG 47 3.478 -5.322 -3.065 237 1HB ARG 47 2HB ARG 47 3.902 -8.273 -2.711 238 2HB ARG 47 1HB ARG 47 5.267 -7.183 -2.890 239 1HG ARG 47 2HG ARG 47 3.145 -6.831 -0.790 240 2HG ARG 47 1HG ARG 47 4.631 -7.747 -0.531 241 1HD ARG 47 2HD ARG 47 4.809 -4.968 -1.594 242 2HD ARG 47 1HD ARG 47 4.475 -5.206 0.121 243 HE ARG 47 HE ARG 47 6.965 -5.623 -1.227 244 1HH1 ARG 47 1HH1 ARG 47 5.030 -6.634 1.508 245 2HH1 ARG 47 2HH1 ARG 47 6.397 -7.152 2.436 246 1HH2 ARG 47 1HH2 ARG 47 8.754 -6.307 -0.001 247 2HH2 ARG 47 2HH2 ARG 47 8.507 -6.967 1.582 248 HA PRO 48 HA PRO 48 5.008 -5.358 -7.215 249 1HB PRO 48 2HB PRO 48 7.812 -5.622 -6.372 250 2HB PRO 48 1HB PRO 48 7.004 -4.272 -7.168 251 1HG PRO 48 2HG PRO 48 7.786 -4.139 -4.605 252 2HG PRO 48 1HG PRO 48 6.312 -3.337 -5.179 253 1HD PRO 48 2HD PRO 48 6.608 -5.916 -3.685 254 2HD PRO 48 1HD PRO 48 5.418 -4.616 -3.464 255 H SER 49 HN SER 49 4.108 -7.814 -6.877 256 HA SER 49 HA SER 49 6.182 -9.780 -7.264 257 1HB SER 49 2HB SER 49 3.238 -9.849 -6.889 258 2HB SER 49 1HB SER 49 4.003 -11.218 -7.696 259 HG SER 49 HG SER 49 4.345 -11.844 -5.710 260 H GLU 50 HN GLU 50 3.532 -8.434 -9.093 261 HA GLU 50 HA GLU 50 4.232 -9.784 -11.508 262 1HB GLU 50 2HB GLU 50 2.334 -8.673 -12.421 263 2HB GLU 50 1HB GLU 50 1.917 -9.199 -10.808 264 1HG GLU 50 2HG GLU 50 2.338 -6.953 -9.973 265 2HG GLU 50 1HG GLU 50 2.702 -6.430 -11.615 266 H ARG 51 HN ARG 51 4.553 -6.604 -10.134 267 HA ARG 51 HA ARG 51 6.531 -5.943 -12.191 268 1HB ARG 51 2HB ARG 51 5.638 -3.511 -11.973 269 2HB ARG 51 1HB ARG 51 4.823 -4.639 -13.043 270 1HG ARG 51 2HG ARG 51 3.544 -4.942 -10.585 271 2HG ARG 51 1HG ARG 51 3.830 -3.213 -10.750 272 1HD ARG 51 2HD ARG 51 2.669 -4.797 -13.008 273 2HD ARG 51 1HD ARG 51 1.647 -4.203 -11.699 274 HE ARG 51 HE ARG 51 3.225 -2.095 -12.700 275 1HH1 ARG 51 1HH1 ARG 51 0.491 -4.083 -13.606 276 2HH1 ARG 51 2HH1 ARG 51 -0.205 -2.870 -14.625 277 1HH2 ARG 51 1HH2 ARG 51 2.302 -0.508 -14.041 278 2HH2 ARG 51 2HH2 ARG 51 0.820 -0.844 -14.873 279 HA PRO 52 HA PRO 52 8.604 -4.554 -8.481 280 1HB PRO 52 2HB PRO 52 11.047 -4.302 -9.501 281 2HB PRO 52 1HB PRO 52 10.277 -5.891 -9.420 282 1HG PRO 52 2HG PRO 52 10.746 -4.139 -11.764 283 2HG PRO 52 1HG PRO 52 10.608 -5.903 -11.688 284 1HD PRO 52 2HD PRO 52 8.571 -3.990 -12.379 285 2HD PRO 52 1HD PRO 52 8.434 -5.757 -12.298 286 H GLY 53 HN GLY 53 7.979 -2.576 -7.838 287 1HA GLY 53 2HA GLY 53 9.206 -0.337 -7.763 288 2HA GLY 53 1HA GLY 53 8.780 -0.258 -9.462 289 H TRP 54 HN TRP 54 6.239 -1.756 -8.362 290 HA TRP 54 HA TRP 54 4.774 0.666 -7.827 291 1HB TRP 54 2HB TRP 54 3.020 -0.203 -8.985 292 2HB TRP 54 1HB TRP 54 4.346 -0.983 -9.803 293 HD1 TRP 54 1HD TRP 54 4.833 -3.361 -7.704 294 HE1 TRP 54 1HE TRP 54 3.086 -5.262 -7.538 295 HE3 TRP 54 3HE TRP 54 0.859 -0.931 -9.709 296 HZ2 TRP 54 2HZ TRP 54 0.362 -5.655 -8.202 297 HZ3 TRP 54 3HZ TRP 54 -1.294 -2.121 -9.927 298 HH2 TRP 54 2HH TRP 54 -1.535 -4.435 -9.181 299 H CYS 55 HN CYS 55 2.835 0.527 -6.460 300 HA CYS 55 HA CYS 55 2.612 -1.606 -4.568 301 1HB CYS 55 2HB CYS 55 4.408 0.275 -3.793 302 2HB CYS 55 1HB CYS 55 2.948 0.869 -3.042 303 HG CYS 55 HG CYS 55 2.779 -1.410 -1.769 304 H LEU 56 HN LEU 56 0.799 -1.400 -3.189 305 HA LEU 56 HA LEU 56 -1.246 0.386 -4.311 306 1HB LEU 56 2HB LEU 56 -1.293 -2.390 -3.223 307 2HB LEU 56 1HB LEU 56 -2.747 -1.432 -3.261 308 HG LEU 56 HG LEU 56 -2.869 -1.443 -5.582 309 1HD1 LEU 56 1HD1 LEU 56 0.073 -2.081 -5.553 310 2HD1 LEU 56 2HD1 LEU 56 -0.739 -0.686 -6.265 311 3HD1 LEU 56 3HD1 LEU 56 -0.920 -2.280 -6.997 312 1HD2 LEU 56 1HD2 LEU 56 -2.071 -3.896 -6.182 313 2HD2 LEU 56 2HD2 LEU 56 -3.468 -3.592 -5.152 314 3HD2 LEU 56 3HD2 LEU 56 -1.911 -3.995 -4.430 315 H VAL 57 HN VAL 57 -2.974 1.124 -2.855 316 HA VAL 57 HA VAL 57 -2.177 1.173 -0.024 317 HB VAL 57 HB VAL 57 -3.096 3.664 -0.182 318 1HG1 VAL 57 1HG1 VAL 57 -1.059 3.842 0.690 319 2HG1 VAL 57 2HG1 VAL 57 -0.464 4.056 -0.951 320 3HG1 VAL 57 3HG1 VAL 57 -0.476 2.451 -0.221 321 1HG2 VAL 57 1HG2 VAL 57 -1.599 3.783 -2.700 322 2HG2 VAL 57 2HG2 VAL 57 -2.942 4.768 -2.119 323 3HG2 VAL 57 3HG2 VAL 57 -3.248 3.165 -2.788 324 H ARG 58 HN ARG 58 -3.842 0.547 1.240 325 HA ARG 58 HA ARG 58 -6.568 1.169 0.364 326 1HB ARG 58 2HB ARG 58 -6.720 -1.061 0.098 327 2HB ARG 58 1HB ARG 58 -5.387 -1.402 1.175 328 1HG ARG 58 2HG ARG 58 -6.768 -1.937 2.844 329 2HG ARG 58 1HG ARG 58 -7.739 -0.485 2.625 330 1HD ARG 58 2HD ARG 58 -7.964 -2.856 0.805 331 2HD ARG 58 1HD ARG 58 -8.909 -2.693 2.287 332 HE ARG 58 HE ARG 58 -9.030 -0.428 0.470 333 1HH1 ARG 58 1HH1 ARG 58 -10.491 -3.481 1.462 334 2HH1 ARG 58 2HH1 ARG 58 -12.055 -3.079 0.845 335 1HH2 ARG 58 1HH2 ARG 58 -11.149 0.055 -0.350 336 2HH2 ARG 58 2HH2 ARG 58 -12.423 -1.095 -0.173 337 H THR 59 HN THR 59 -8.099 1.806 2.003 338 HA THR 59 HA THR 59 -6.825 2.373 4.608 339 HB THR 59 HB THR 59 -7.293 4.426 3.394 340 HG1 THR 59 1HG THR 59 -9.199 4.048 5.457 341 1HG2 THR 59 1HG2 THR 59 -9.234 3.432 2.079 342 2HG2 THR 59 2HG2 THR 59 -9.365 5.108 2.608 343 3HG2 THR 59 3HG2 THR 59 -10.220 3.836 3.481 344 H THR 60 HN THR 60 -7.769 1.622 6.379 345 HA THR 60 HA THR 60 -10.392 0.321 6.096 346 HB THR 60 HB THR 60 -9.432 -0.973 8.206 347 HG1 THR 60 1HG THR 60 -7.091 -0.315 6.748 348 1HG2 THR 60 1HG2 THR 60 -9.347 -2.747 6.876 349 2HG2 THR 60 2HG2 THR 60 -8.084 -2.041 5.868 350 3HG2 THR 60 3HG2 THR 60 -9.776 -1.643 5.571 351 H GLU 61 HN GLU 61 -8.657 2.794 7.703 352 HA GLU 61 HA GLU 61 -10.402 2.808 10.018 353 1HB GLU 61 2HB GLU 61 -7.931 4.232 9.214 354 2HB GLU 61 1HB GLU 61 -9.029 5.104 10.275 355 1HG GLU 61 2HG GLU 61 -8.975 3.085 11.785 356 2HG GLU 61 1HG GLU 61 -7.649 2.488 10.789 357 H ARG 62 HN ARG 62 -11.184 3.432 7.094 358 HA ARG 62 HA ARG 62 -12.871 5.699 7.733 359 1HB ARG 62 2HB ARG 62 -10.808 5.522 5.627 360 2HB ARG 62 1HB ARG 62 -12.376 6.092 5.082 361 1HG ARG 62 2HG ARG 62 -12.120 7.631 7.233 362 2HG ARG 62 1HG ARG 62 -10.411 7.363 6.883 363 1HD ARG 62 2HD ARG 62 -10.498 8.498 4.902 364 2HD ARG 62 1HD ARG 62 -12.194 8.106 4.626 365 HE ARG 62 HE ARG 62 -11.140 10.384 6.035 366 1HH1 ARG 62 1HH1 ARG 62 -13.935 8.329 5.588 367 2HH1 ARG 62 2HH1 ARG 62 -15.056 9.529 6.136 368 1HH2 ARG 62 1HH2 ARG 62 -12.619 11.955 6.755 369 2HH2 ARG 62 2HH2 ARG 62 -14.310 11.584 6.797 370 H SER 63 HN SER 63 -14.651 4.420 7.890 371 HA SER 63 HA SER 63 -15.206 2.369 5.960 372 1HB SER 63 2HB SER 63 -16.902 3.457 8.215 373 2HB SER 63 1HB SER 63 -17.283 2.025 7.259 374 HG SER 63 HG SER 63 -16.069 1.850 9.396 375 HA PRO 64 HA PRO 64 -16.334 1.416 4.540 376 1HB PRO 64 2HB PRO 64 -16.570 1.331 1.870 377 2HB PRO 64 1HB PRO 64 -17.987 1.307 2.927 378 1HG PRO 64 2HG PRO 64 -16.802 3.592 1.400 379 2HG PRO 64 1HG PRO 64 -18.504 3.140 1.596 380 1HD PRO 64 2HD PRO 64 -17.275 5.110 3.048 381 2HD PRO 64 1HD PRO 64 -18.674 4.185 3.626 382 HA PRO 65 HA PRO 65 -11.945 1.809 3.785 383 1HB PRO 65 2HB PRO 65 -12.308 -0.659 2.157 384 2HB PRO 65 1HB PRO 65 -11.144 -0.322 3.439 385 1HG PRO 65 2HG PRO 65 -13.255 -1.876 3.903 386 2HG PRO 65 1HG PRO 65 -12.679 -0.732 5.128 387 1HD PRO 65 2HD PRO 65 -15.068 -0.571 3.355 388 2HD PRO 65 1HD PRO 65 -14.844 0.033 5.010 389 H GLN 66 HN GLN 66 -10.403 1.829 1.949 390 HA GLN 66 HA GLN 66 -11.596 2.301 -0.627 391 1HB GLN 66 2HB GLN 66 -10.969 4.381 1.090 392 2HB GLN 66 1HB GLN 66 -9.573 4.290 0.028 393 1HG GLN 66 2HG GLN 66 -11.207 4.304 -1.888 394 2HG GLN 66 1HG GLN 66 -12.440 4.723 -0.701 395 1HE2 GLN 66 1HE2 GLN 66 -10.889 6.394 0.931 396 2HE2 GLN 66 2HE2 GLN 66 -10.529 7.836 0.051 397 H GLU 67 HN GLU 67 -10.031 2.119 -2.358 398 HA GLU 67 HA GLU 67 -7.475 0.993 -1.483 399 1HB GLU 67 2HB GLU 67 -8.272 -0.260 -3.941 400 2HB GLU 67 1HB GLU 67 -7.809 -0.987 -2.429 401 1HG GLU 67 2HG GLU 67 -9.963 -1.290 -1.750 402 2HG GLU 67 1HG GLU 67 -10.578 0.055 -2.707 403 H GLY 68 HN GLY 68 -5.741 1.316 -2.823 404 1HA GLY 68 2HA GLY 68 -6.180 3.078 -5.156 405 2HA GLY 68 1HA GLY 68 -5.139 3.631 -3.864 406 H LEU 69 HN LEU 69 -4.025 3.677 -6.191 407 HA LEU 69 HA LEU 69 -2.052 1.547 -6.075 408 1HB LEU 69 2HB LEU 69 -3.918 2.036 -8.323 409 2HB LEU 69 1HB LEU 69 -2.250 1.688 -8.741 410 HG LEU 69 HG LEU 69 -2.535 -0.328 -7.138 411 1HD1 LEU 69 1HD1 LEU 69 -4.542 -0.611 -6.230 412 2HD1 LEU 69 2HD1 LEU 69 -5.217 -0.837 -7.841 413 3HD1 LEU 69 3HD1 LEU 69 -5.180 0.771 -7.117 414 1HD2 LEU 69 1HD2 LEU 69 -3.014 -1.702 -8.977 415 2HD2 LEU 69 2HD2 LEU 69 -2.260 -0.265 -9.666 416 3HD2 LEU 69 3HD2 LEU 69 -4.009 -0.466 -9.747 417 H VAL 70 HN VAL 70 -0.052 2.231 -6.410 418 HA VAL 70 HA VAL 70 0.598 4.479 -8.065 419 HB VAL 70 HB VAL 70 1.946 5.296 -5.767 420 1HG1 VAL 70 1HG1 VAL 70 1.138 6.791 -7.447 421 2HG1 VAL 70 2HG1 VAL 70 0.461 7.280 -5.893 422 3HG1 VAL 70 3HG1 VAL 70 -0.538 6.406 -7.054 423 1HG2 VAL 70 1HG2 VAL 70 0.080 3.834 -4.605 424 2HG2 VAL 70 2HG2 VAL 70 -0.901 5.272 -4.889 425 3HG2 VAL 70 3HG2 VAL 70 0.577 5.387 -3.934 426 HA PRO 71 HA PRO 71 4.371 2.264 -7.843 427 1HB PRO 71 2HB PRO 71 6.313 4.017 -8.345 428 2HB PRO 71 1HB PRO 71 5.094 3.579 -9.548 429 1HG PRO 71 2HG PRO 71 5.371 6.077 -7.984 430 2HG PRO 71 1HG PRO 71 4.570 5.811 -9.539 431 1HD PRO 71 2HD PRO 71 3.362 5.969 -6.940 432 2HD PRO 71 1HD PRO 71 2.566 5.673 -8.488 433 H SER 72 HN SER 72 6.095 1.605 -6.615 434 HA SER 72 HA SER 72 6.075 1.864 -3.930 435 1HB SER 72 2HB SER 72 7.364 0.105 -4.747 436 2HB SER 72 1HB SER 72 8.256 1.140 -5.859 437 HG SER 72 HG SER 72 9.714 1.040 -4.337 438 H SER 73 HN SER 73 7.568 4.069 -6.200 439 HA SER 73 HA SER 73 9.326 5.412 -4.491 440 1HB SER 73 2HB SER 73 7.828 7.007 -6.513 441 2HB SER 73 1HB SER 73 9.560 6.948 -6.185 442 HG SER 73 HG SER 73 8.665 5.918 -8.203 443 H THR 74 HN THR 74 5.856 5.642 -4.893 444 HA THR 74 HA THR 74 5.712 7.846 -2.960 445 HB THR 74 HB THR 74 3.802 8.482 -3.990 446 HG1 THR 74 1HG THR 74 2.258 7.088 -3.973 447 1HG2 THR 74 1HG2 THR 74 4.894 6.779 -6.180 448 2HG2 THR 74 2HG2 THR 74 5.475 8.380 -5.762 449 3HG2 THR 74 3HG2 THR 74 3.829 8.171 -6.365 450 H LEU 75 HN LEU 75 5.917 4.656 -2.712 451 HA LEU 75 HA LEU 75 4.013 4.505 -0.513 452 1HB LEU 75 2HB LEU 75 4.488 2.396 -2.595 453 2HB LEU 75 1HB LEU 75 3.547 2.172 -1.149 454 HG LEU 75 HG LEU 75 2.495 4.441 -2.494 455 1HD1 LEU 75 1HD1 LEU 75 1.738 2.738 -4.493 456 2HD1 LEU 75 2HD1 LEU 75 3.446 2.351 -4.302 457 3HD1 LEU 75 3HD1 LEU 75 2.949 4.008 -4.638 458 1HD2 LEU 75 1HD2 LEU 75 0.454 3.189 -2.472 459 2HD2 LEU 75 2HD2 LEU 75 1.325 2.836 -0.979 460 3HD2 LEU 75 3HD2 LEU 75 1.325 1.667 -2.297 461 H CYS 76 HN CYS 76 4.885 3.745 1.260 462 HA CYS 76 HA CYS 76 7.626 3.243 1.546 463 1HB CYS 76 2HB CYS 76 5.802 3.870 3.324 464 2HB CYS 76 1HB CYS 76 5.659 2.127 3.511 465 HG CYS 76 HG CYS 76 7.634 2.195 4.937 466 H ILE 77 HN ILE 77 8.704 1.574 0.752 467 HA ILE 77 HA ILE 77 7.384 -1.059 0.704 468 HB ILE 77 HB ILE 77 8.772 -1.654 -1.182 469 1HG1 ILE 77 2HG1 ILE 77 10.084 0.379 -2.230 470 2HG1 ILE 77 1HG1 ILE 77 10.112 0.959 -0.568 471 1HG2 ILE 77 1HG2 ILE 77 7.801 1.062 -1.938 472 2HG2 ILE 77 2HG2 ILE 77 6.643 -0.122 -1.331 473 3HG2 ILE 77 3HG2 ILE 77 7.598 -0.479 -2.770 474 1HD1 ILE 77 1HD1 ILE 77 11.635 -0.556 0.062 475 2HD1 ILE 77 2HD1 ILE 77 11.986 -0.637 -1.664 476 3HD1 ILE 77 3HD1 ILE 77 10.927 -1.835 -0.922 477 H SER 78 HN SER 78 8.869 -2.937 0.885 478 HA SER 78 HA SER 78 10.961 -2.383 2.880 479 1HB SER 78 2HB SER 78 8.985 -4.600 2.568 480 2HB SER 78 1HB SER 78 10.544 -4.966 3.308 481 HG SER 78 HG SER 78 8.928 -2.806 4.162 482 H HIS 79 HN HIS 79 10.246 -3.948 -0.151 483 HA HIS 79 HA HIS 79 11.569 -4.876 -1.747 484 1HB HIS 79 2HB HIS 79 13.273 -2.976 -0.370 485 2HB HIS 79 1HB HIS 79 14.213 -4.335 -0.976 486 HD1 HIS 79 1HD HIS 79 14.648 -1.592 -2.202 487 HD2 HIS 79 2HD HIS 79 11.902 -4.343 -3.673 488 HE1 HIS 79 1HE HIS 79 14.286 -0.960 -4.609 489 HE2 HIS 79 2HE HIS 79 12.559 -2.588 -5.455 490 H SER 80 HN SER 80 13.097 -6.628 -2.149 491 HA SER 80 HA SER 80 12.769 -8.764 -0.371 492 1HB SER 80 2HB SER 80 14.837 -9.648 -1.833 493 2HB SER 80 1HB SER 80 13.196 -9.564 -2.472 494 HG SER 80 HG SER 80 13.876 -8.157 -3.859 Start of MODEL 15 1 H SER 14 HN SER 14 4.012 -11.569 2.600 2 HA SER 14 HA SER 14 4.164 -11.128 5.485 3 1HB SER 14 2HB SER 14 4.294 -9.126 4.132 4 2HB SER 14 1HB SER 14 2.813 -9.557 3.278 5 HG SER 14 HG SER 14 1.659 -8.864 4.912 6 H GLY 15 HN GLY 15 1.489 -11.197 3.120 7 1HA GLY 15 2HA GLY 15 0.048 -13.314 4.105 8 2HA GLY 15 1HA GLY 15 -0.408 -11.959 5.126 9 H GLY 16 HN GLY 16 -1.622 -10.263 4.262 10 1HA GLY 16 2HA GLY 16 -2.540 -10.607 1.486 11 2HA GLY 16 1HA GLY 16 -3.721 -10.499 2.784 12 H CYS 17 HN CYS 17 -2.590 -8.514 4.348 13 HA CYS 17 HA CYS 17 -2.342 -6.204 2.575 14 1HB CYS 17 2HB CYS 17 -3.787 -4.968 4.331 15 2HB CYS 17 1HB CYS 17 -4.596 -5.978 3.143 16 HG CYS 17 HG CYS 17 -4.072 -7.212 5.927 17 H GLU 18 HN GLU 18 -0.893 -4.721 3.235 18 HA GLU 18 HA GLU 18 0.254 -5.032 5.925 19 1HB GLU 18 2HB GLU 18 1.792 -6.035 4.326 20 2HB GLU 18 1HB GLU 18 1.782 -4.569 3.359 21 1HG GLU 18 2HG GLU 18 2.922 -3.353 5.059 22 2HG GLU 18 1HG GLU 18 2.739 -4.679 6.207 23 H LEU 19 HN LEU 19 0.990 -3.150 6.893 24 HA LEU 19 HA LEU 19 -0.362 -0.771 6.002 25 1HB LEU 19 2HB LEU 19 1.608 -0.532 8.179 26 2HB LEU 19 1HB LEU 19 0.001 0.139 8.045 27 HG LEU 19 HG LEU 19 0.690 -2.690 8.812 28 1HD1 LEU 19 1HD1 LEU 19 -0.277 -2.086 10.962 29 2HD1 LEU 19 2HD1 LEU 19 -0.561 -0.445 10.383 30 3HD1 LEU 19 3HD1 LEU 19 1.089 -1.041 10.568 31 1HD2 LEU 19 1HD2 LEU 19 -1.723 -2.971 9.165 32 2HD2 LEU 19 2HD2 LEU 19 -1.337 -2.657 7.473 33 3HD2 LEU 19 3HD2 LEU 19 -2.000 -1.369 8.480 34 H THR 20 HN THR 20 0.417 0.852 4.911 35 HA THR 20 HA THR 20 3.301 1.232 4.672 36 HB THR 20 HB THR 20 2.634 -0.161 2.756 37 HG1 THR 20 1HG THR 20 4.050 0.938 1.700 38 1HG2 THR 20 1HG2 THR 20 0.737 2.089 2.172 39 2HG2 THR 20 2HG2 THR 20 0.377 0.371 2.349 40 3HG2 THR 20 3HG2 THR 20 1.283 0.944 0.947 41 H VAL 21 HN VAL 21 3.919 3.330 4.009 42 HA VAL 21 HA VAL 21 1.800 5.351 4.272 43 HB VAL 21 HB VAL 21 3.743 6.849 5.028 44 1HG1 VAL 21 1HG1 VAL 21 2.318 6.547 6.753 45 2HG1 VAL 21 2HG1 VAL 21 3.644 5.570 7.383 46 3HG1 VAL 21 3HG1 VAL 21 2.290 4.794 6.561 47 1HG2 VAL 21 1HG2 VAL 21 4.994 4.148 5.473 48 2HG2 VAL 21 2HG2 VAL 21 5.569 5.647 6.200 49 3HG2 VAL 21 3HG2 VAL 21 5.603 5.447 4.449 50 H VAL 22 HN VAL 22 1.608 6.758 2.604 51 HA VAL 22 HA VAL 22 3.139 6.313 0.278 52 HB VAL 22 HB VAL 22 1.942 8.569 -0.406 53 1HG1 VAL 22 1HG1 VAL 22 0.974 5.781 -0.257 54 2HG1 VAL 22 2HG1 VAL 22 1.430 6.748 -1.660 55 3HG1 VAL 22 3HG1 VAL 22 -0.115 7.032 -0.858 56 1HG2 VAL 22 1HG2 VAL 22 -0.007 9.121 0.693 57 2HG2 VAL 22 2HG2 VAL 22 1.091 8.767 2.029 58 3HG2 VAL 22 3HG2 VAL 22 -0.095 7.565 1.520 59 H LEU 23 HN LEU 23 4.978 7.120 -0.302 60 HA LEU 23 HA LEU 23 6.355 8.984 1.288 61 1HB LEU 23 2HB LEU 23 7.238 8.293 -1.482 62 2HB LEU 23 1HB LEU 23 8.215 8.605 -0.061 63 HG LEU 23 HG LEU 23 6.643 6.104 -0.674 64 1HD1 LEU 23 1HD1 LEU 23 9.509 6.040 0.000 65 2HD1 LEU 23 2HD1 LEU 23 9.095 6.782 -1.545 66 3HD1 LEU 23 3HD1 LEU 23 8.600 5.125 -1.202 67 1HD2 LEU 23 1HD2 LEU 23 6.354 6.188 1.602 68 2HD2 LEU 23 2HD2 LEU 23 7.839 7.102 1.868 69 3HD2 LEU 23 3HD2 LEU 23 7.918 5.379 1.502 70 H GLN 24 HN GLN 24 4.327 9.309 -1.507 71 HA GLN 24 HA GLN 24 4.757 12.179 -1.393 72 1HB GLN 24 2HB GLN 24 5.451 12.445 -3.545 73 2HB GLN 24 1HB GLN 24 6.142 10.881 -3.222 74 1HG GLN 24 2HG GLN 24 5.140 10.095 -5.009 75 2HG GLN 24 1HG GLN 24 3.573 10.413 -4.285 76 1HE2 GLN 24 1HE2 GLN 24 4.932 10.696 -7.054 77 2HE2 GLN 24 2HE2 GLN 24 4.384 12.244 -7.591 78 H ASP 25 HN ASP 25 2.965 13.404 -2.367 79 HA ASP 25 HA ASP 25 0.455 12.131 -1.843 80 1HB ASP 25 2HB ASP 25 0.120 14.573 -3.373 81 2HB ASP 25 1HB ASP 25 -0.407 14.191 -1.754 82 H PHE 26 HN PHE 26 -1.151 11.642 -3.277 83 HA PHE 26 HA PHE 26 -0.583 11.724 -6.129 84 1HB PHE 26 2HB PHE 26 0.269 9.538 -5.244 85 2HB PHE 26 1HB PHE 26 -1.377 9.136 -4.810 86 HD1 PHE 26 1HD PHE 26 -2.967 8.444 -6.427 87 HD2 PHE 26 2HD PHE 26 0.884 9.797 -7.630 88 HE1 PHE 26 1HE PHE 26 -3.376 7.589 -8.697 89 HE2 PHE 26 2HE PHE 26 0.481 8.945 -9.902 90 HZ PHE 26 HZ PHE 26 -1.652 7.838 -10.437 91 H SER 27 HN SER 27 -2.421 11.411 -7.442 92 HA SER 27 HA SER 27 -4.967 11.534 -6.023 93 1HB SER 27 2HB SER 27 -5.491 12.900 -8.260 94 2HB SER 27 1HB SER 27 -4.882 13.678 -6.811 95 HG SER 27 HG SER 27 -3.309 12.771 -8.987 96 H ALA 28 HN ALA 28 -6.508 10.230 -6.837 97 HA ALA 28 HA ALA 28 -5.950 7.982 -8.209 98 1HB ALA 28 1HB ALA 28 -8.199 7.508 -8.161 99 2HB ALA 28 2HB ALA 28 -8.657 9.180 -8.471 100 3HB ALA 28 3HB ALA 28 -8.039 8.715 -6.891 101 H ALA 29 HN ALA 29 -7.479 7.365 -10.176 102 HA ALA 29 HA ALA 29 -7.941 8.974 -12.342 103 1HB ALA 29 1HB ALA 29 -6.000 9.535 -13.278 104 2HB ALA 29 2HB ALA 29 -5.524 7.840 -13.376 105 3HB ALA 29 3HB ALA 29 -5.145 8.780 -11.935 106 H HIS 30 HN HIS 30 -6.834 5.879 -11.130 107 HA HIS 30 HA HIS 30 -8.054 4.547 -13.434 108 1HB HIS 30 2HB HIS 30 -5.630 4.081 -12.205 109 2HB HIS 30 1HB HIS 30 -6.656 2.815 -11.541 110 HD1 HIS 30 1HD HIS 30 -7.272 0.893 -13.069 111 HD2 HIS 30 2HD HIS 30 -5.298 3.971 -15.042 112 HE1 HIS 30 1HE HIS 30 -6.729 -0.011 -15.352 113 HE2 HIS 30 2HE HIS 30 -5.606 1.896 -16.555 114 H SER 31 HN SER 31 -8.873 2.271 -12.730 115 HA SER 31 HA SER 31 -11.351 2.424 -11.715 116 1HB SER 31 2HB SER 31 -10.982 -0.053 -10.990 117 2HB SER 31 1HB SER 31 -10.834 0.383 -12.693 118 HG SER 31 HG SER 31 -8.860 -0.292 -12.603 119 H SER 32 HN SER 32 -8.977 0.790 -9.641 120 HA SER 32 HA SER 32 -10.451 1.775 -7.328 121 1HB SER 32 2HB SER 32 -8.413 -0.415 -7.701 122 2HB SER 32 1HB SER 32 -8.933 0.117 -6.102 123 HG SER 32 HG SER 32 -10.179 -1.523 -7.827 124 H GLU 33 HN GLU 33 -9.049 3.828 -8.502 125 HA GLU 33 HA GLU 33 -6.609 4.149 -6.940 126 1HB GLU 33 2HB GLU 33 -7.691 5.292 -9.450 127 2HB GLU 33 1HB GLU 33 -6.673 6.328 -8.474 128 1HG GLU 33 2HG GLU 33 -5.210 4.115 -8.461 129 2HG GLU 33 1HG GLU 33 -6.011 3.954 -10.015 130 H LEU 34 HN LEU 34 -6.249 6.131 -5.761 131 HA LEU 34 HA LEU 34 -8.519 7.838 -5.271 132 1HB LEU 34 2HB LEU 34 -7.966 7.463 -2.719 133 2HB LEU 34 1HB LEU 34 -9.179 6.536 -3.572 134 HG LEU 34 HG LEU 34 -7.256 4.809 -3.946 135 1HD1 LEU 34 1HD1 LEU 34 -5.855 4.932 -1.730 136 2HD1 LEU 34 2HD1 LEU 34 -6.156 6.663 -1.881 137 3HD1 LEU 34 3HD1 LEU 34 -5.330 5.795 -3.176 138 1HD2 LEU 34 1HD2 LEU 34 -7.775 3.886 -1.651 139 2HD2 LEU 34 2HD2 LEU 34 -9.178 4.293 -2.641 140 3HD2 LEU 34 3HD2 LEU 34 -8.666 5.376 -1.346 141 H SER 35 HN SER 35 -7.899 9.633 -3.769 142 HA SER 35 HA SER 35 -5.251 10.511 -4.439 143 1HB SER 35 2HB SER 35 -6.181 12.619 -3.186 144 2HB SER 35 1HB SER 35 -6.690 12.269 -4.835 145 HG SER 35 HG SER 35 -8.172 12.397 -2.589 146 H ILE 36 HN ILE 36 -3.648 10.441 -3.161 147 HA ILE 36 HA ILE 36 -4.063 10.174 -0.267 148 HB ILE 36 HB ILE 36 -1.749 8.953 -0.425 149 1HG1 ILE 36 2HG1 ILE 36 -1.666 9.400 -2.934 150 2HG1 ILE 36 1HG1 ILE 36 -1.293 7.767 -2.421 151 1HG2 ILE 36 1HG2 ILE 36 -4.462 8.087 -0.346 152 2HG2 ILE 36 2HG2 ILE 36 -3.038 7.354 0.390 153 3HG2 ILE 36 3HG2 ILE 36 -3.511 6.905 -1.246 154 1HD1 ILE 36 1HD1 ILE 36 -4.065 7.874 -2.941 155 2HD1 ILE 36 2HD1 ILE 36 -2.813 7.005 -3.826 156 3HD1 ILE 36 3HD1 ILE 36 -3.233 8.655 -4.284 157 H GLN 37 HN GLN 37 -2.113 10.806 0.972 158 HA GLN 37 HA GLN 37 -0.619 12.967 -0.278 159 1HB GLN 37 2HB GLN 37 -2.378 12.994 2.091 160 2HB GLN 37 1HB GLN 37 -0.873 13.875 2.230 161 1HG GLN 37 2HG GLN 37 -1.641 15.551 0.997 162 2HG GLN 37 1HG GLN 37 -2.173 14.449 -0.272 163 1HE2 GLN 37 1HE2 GLN 37 -3.516 16.803 0.572 164 2HE2 GLN 37 2HE2 GLN 37 -5.053 16.332 1.204 165 H VAL 38 HN VAL 38 1.419 13.365 0.519 166 HA VAL 38 HA VAL 38 2.918 11.136 1.353 167 HB VAL 38 HB VAL 38 3.893 12.986 0.096 168 1HG1 VAL 38 1HG1 VAL 38 3.892 15.146 0.703 169 2HG1 VAL 38 2HG1 VAL 38 4.137 14.779 2.410 170 3HG1 VAL 38 3HG1 VAL 38 2.527 14.648 1.703 171 1HG2 VAL 38 1HG2 VAL 38 5.996 13.014 1.114 172 2HG2 VAL 38 2HG2 VAL 38 5.253 11.537 1.726 173 3HG2 VAL 38 3HG2 VAL 38 5.311 12.981 2.738 174 H GLY 39 HN GLY 39 3.086 10.253 3.343 175 1HA GLY 39 2HA GLY 39 3.887 10.652 5.616 176 2HA GLY 39 1HA GLY 39 2.850 12.059 5.671 177 H GLN 40 HN GLN 40 0.695 10.347 4.331 178 HA GLN 40 HA GLN 40 -0.475 9.507 6.771 179 1HB GLN 40 2HB GLN 40 -2.430 9.148 5.543 180 2HB GLN 40 1HB GLN 40 -1.695 10.587 4.904 181 1HG GLN 40 2HG GLN 40 -0.758 9.245 3.091 182 2HG GLN 40 1HG GLN 40 -1.624 7.851 3.718 183 1HE2 GLN 40 1HE2 GLN 40 -3.401 7.429 2.644 184 2HE2 GLN 40 2HE2 GLN 40 -4.445 8.583 1.899 185 H THR 41 HN THR 41 -1.654 7.390 6.866 186 HA THR 41 HA THR 41 0.078 5.246 5.835 187 HB THR 41 HB THR 41 -1.201 5.439 8.560 188 HG1 THR 41 1HG THR 41 0.916 5.122 9.236 189 1HG2 THR 41 1HG2 THR 41 -0.422 3.002 7.045 190 2HG2 THR 41 2HG2 THR 41 -1.644 3.213 8.297 191 3HG2 THR 41 3HG2 THR 41 0.058 3.086 8.741 192 H VAL 42 HN VAL 42 -0.832 3.820 4.653 193 HA VAL 42 HA VAL 42 -3.521 2.964 5.162 194 HB VAL 42 HB VAL 42 -2.932 4.717 2.915 195 1HG1 VAL 42 1HG1 VAL 42 -4.332 3.341 1.305 196 2HG1 VAL 42 2HG1 VAL 42 -3.895 1.985 2.326 197 3HG1 VAL 42 3HG1 VAL 42 -2.645 2.886 1.530 198 1HG2 VAL 42 1HG2 VAL 42 -5.204 5.132 2.979 199 2HG2 VAL 42 2HG2 VAL 42 -4.901 4.605 4.635 200 3HG2 VAL 42 3HG2 VAL 42 -5.596 3.483 3.466 201 H GLU 43 HN GLU 43 -3.808 0.883 4.684 202 HA GLU 43 HA GLU 43 -1.447 -0.647 4.426 203 1HB GLU 43 2HB GLU 43 -2.871 -2.578 4.799 204 2HB GLU 43 1HB GLU 43 -3.259 -1.295 5.935 205 1HG GLU 43 2HG GLU 43 -5.176 -0.660 4.533 206 2HG GLU 43 1HG GLU 43 -4.802 -1.987 3.439 207 H LEU 44 HN LEU 44 -0.532 -1.463 2.663 208 HA LEU 44 HA LEU 44 -1.687 -1.134 0.117 209 1HB LEU 44 2HB LEU 44 0.219 -2.505 -0.678 210 2HB LEU 44 1HB LEU 44 0.645 -1.059 0.176 211 HG LEU 44 HG LEU 44 0.894 -2.668 2.226 212 1HD1 LEU 44 1HD1 LEU 44 0.474 -4.808 1.804 213 2HD1 LEU 44 2HD1 LEU 44 1.897 -4.828 0.766 214 3HD1 LEU 44 3HD1 LEU 44 0.308 -4.498 0.077 215 1HD2 LEU 44 1HD2 LEU 44 3.140 -2.579 1.903 216 2HD2 LEU 44 2HD2 LEU 44 2.643 -1.442 0.650 217 3HD2 LEU 44 3HD2 LEU 44 3.031 -3.110 0.225 218 H LEU 45 HN LEU 45 -2.325 -2.587 -1.342 219 HA LEU 45 HA LEU 45 -3.901 -4.740 -0.320 220 1HB LEU 45 2HB LEU 45 -3.347 -4.201 -3.221 221 2HB LEU 45 1HB LEU 45 -4.753 -4.966 -2.514 222 HG LEU 45 HG LEU 45 -4.094 -2.062 -2.023 223 1HD1 LEU 45 1HD1 LEU 45 -6.027 -1.762 -3.730 224 2HD1 LEU 45 2HD1 LEU 45 -5.535 -3.354 -4.309 225 3HD1 LEU 45 3HD1 LEU 45 -4.390 -2.016 -4.328 226 1HD2 LEU 45 1HD2 LEU 45 -5.620 -2.786 -0.437 227 2HD2 LEU 45 2HD2 LEU 45 -6.462 -3.832 -1.579 228 3HD2 LEU 45 3HD2 LEU 45 -6.623 -2.084 -1.700 229 H GLU 46 HN GLU 46 -1.282 -4.704 -2.793 230 HA GLU 46 HA GLU 46 -0.563 -7.367 -1.852 231 1HB GLU 46 2HB GLU 46 -0.226 -8.073 -4.128 232 2HB GLU 46 1HB GLU 46 -1.855 -7.464 -3.953 233 1HG GLU 46 2HG GLU 46 -0.443 -5.248 -4.754 234 2HG GLU 46 1HG GLU 46 0.311 -6.556 -5.662 235 H ARG 47 HN ARG 47 1.602 -7.489 -3.870 236 HA ARG 47 HA ARG 47 3.413 -5.422 -2.835 237 1HB ARG 47 2HB ARG 47 3.752 -8.398 -2.840 238 2HB ARG 47 1HB ARG 47 5.158 -7.348 -2.907 239 1HG ARG 47 2HG ARG 47 4.567 -6.337 -0.804 240 2HG ARG 47 1HG ARG 47 3.055 -7.246 -0.755 241 1HD ARG 47 2HD ARG 47 5.865 -8.295 -0.517 242 2HD ARG 47 1HD ARG 47 4.569 -8.375 0.677 243 HE ARG 47 HE ARG 47 5.001 -10.154 -1.537 244 1HH1 ARG 47 1HH1 ARG 47 2.604 -8.879 0.670 245 2HH1 ARG 47 2HH1 ARG 47 1.549 -10.240 0.497 246 1HH2 ARG 47 1HH2 ARG 47 3.608 -11.937 -1.757 247 2HH2 ARG 47 2HH2 ARG 47 2.117 -11.974 -0.877 248 HA PRO 48 HA PRO 48 4.976 -5.227 -6.977 249 1HB PRO 48 2HB PRO 48 7.683 -4.691 -6.313 250 2HB PRO 48 1HB PRO 48 6.395 -3.523 -6.601 251 1HG PRO 48 2HG PRO 48 7.662 -3.967 -4.163 252 2HG PRO 48 1HG PRO 48 6.115 -3.136 -4.384 253 1HD PRO 48 2HD PRO 48 6.656 -5.954 -3.557 254 2HD PRO 48 1HD PRO 48 5.375 -4.843 -3.024 255 H SER 49 HN SER 49 5.000 -7.979 -6.011 256 HA SER 49 HA SER 49 7.509 -9.137 -6.741 257 1HB SER 49 2HB SER 49 5.521 -10.033 -5.189 258 2HB SER 49 1HB SER 49 5.072 -10.812 -6.706 259 HG SER 49 HG SER 49 7.644 -10.976 -5.520 260 H GLU 50 HN GLU 50 4.333 -8.906 -8.147 261 HA GLU 50 HA GLU 50 5.068 -10.133 -10.615 262 1HB GLU 50 2HB GLU 50 2.801 -9.725 -11.234 263 2HB GLU 50 1HB GLU 50 2.815 -10.259 -9.571 264 1HG GLU 50 2HG GLU 50 2.607 -7.955 -8.830 265 2HG GLU 50 1HG GLU 50 2.555 -7.430 -10.512 266 H ARG 51 HN ARG 51 4.559 -6.935 -9.350 267 HA ARG 51 HA ARG 51 5.606 -5.778 -11.850 268 1HB ARG 51 2HB ARG 51 3.269 -5.092 -10.245 269 2HB ARG 51 1HB ARG 51 4.322 -3.709 -10.510 270 1HG ARG 51 2HG ARG 51 2.671 -3.762 -12.226 271 2HG ARG 51 1HG ARG 51 4.237 -4.161 -12.935 272 1HD ARG 51 2HD ARG 51 3.689 -6.489 -13.000 273 2HD ARG 51 1HD ARG 51 2.218 -6.222 -12.066 274 HE ARG 51 HE ARG 51 1.151 -5.644 -13.996 275 1HH1 ARG 51 1HH1 ARG 51 4.598 -5.408 -14.548 276 2HH1 ARG 51 2HH1 ARG 51 4.426 -5.100 -16.243 277 1HH2 ARG 51 1HH2 ARG 51 0.936 -5.238 -16.223 278 2HH2 ARG 51 2HH2 ARG 51 2.351 -5.003 -17.193 279 HA PRO 52 HA PRO 52 8.681 -4.350 -8.905 280 1HB PRO 52 2HB PRO 52 10.660 -3.875 -10.632 281 2HB PRO 52 1HB PRO 52 10.131 -5.526 -10.288 282 1HG PRO 52 2HG PRO 52 9.647 -3.847 -12.685 283 2HG PRO 52 1HG PRO 52 9.778 -5.608 -12.552 284 1HD PRO 52 2HD PRO 52 7.394 -4.047 -12.664 285 2HD PRO 52 1HD PRO 52 7.527 -5.797 -12.404 286 H GLY 53 HN GLY 53 8.270 -2.429 -8.020 287 1HA GLY 53 2HA GLY 53 9.066 -0.127 -8.028 288 2HA GLY 53 1HA GLY 53 8.620 -0.046 -9.719 289 H TRP 54 HN TRP 54 6.196 -1.702 -8.379 290 HA TRP 54 HA TRP 54 4.633 0.677 -7.899 291 1HB TRP 54 2HB TRP 54 2.901 -0.245 -9.033 292 2HB TRP 54 1HB TRP 54 4.240 -0.970 -9.877 293 HD1 TRP 54 1HD TRP 54 4.835 -3.351 -7.818 294 HE1 TRP 54 1HE TRP 54 3.157 -5.314 -7.654 295 HE3 TRP 54 3HE TRP 54 0.758 -1.022 -9.711 296 HZ2 TRP 54 2HZ TRP 54 0.434 -5.783 -8.272 297 HZ3 TRP 54 3HZ TRP 54 -1.368 -2.271 -9.904 298 HH2 TRP 54 2HH TRP 54 -1.521 -4.605 -9.191 299 H CYS 55 HN CYS 55 2.755 0.508 -6.518 300 HA CYS 55 HA CYS 55 2.552 -1.617 -4.618 301 1HB CYS 55 2HB CYS 55 4.330 0.321 -3.859 302 2HB CYS 55 1HB CYS 55 2.861 0.840 -3.067 303 HG CYS 55 HG CYS 55 3.940 -0.735 -1.407 304 H LEU 56 HN LEU 56 0.734 -1.397 -3.244 305 HA LEU 56 HA LEU 56 -1.289 0.413 -4.367 306 1HB LEU 56 2HB LEU 56 -1.367 -2.383 -3.335 307 2HB LEU 56 1HB LEU 56 -2.813 -1.413 -3.364 308 HG LEU 56 HG LEU 56 -2.925 -1.379 -5.682 309 1HD1 LEU 56 1HD1 LEU 56 0.019 -2.020 -5.657 310 2HD1 LEU 56 2HD1 LEU 56 -0.788 -0.606 -6.334 311 3HD1 LEU 56 3HD1 LEU 56 -0.969 -2.178 -7.110 312 1HD2 LEU 56 1HD2 LEU 56 -2.150 -3.802 -6.353 313 2HD2 LEU 56 2HD2 LEU 56 -3.521 -3.539 -5.278 314 3HD2 LEU 56 3HD2 LEU 56 -1.945 -3.964 -4.610 315 H VAL 57 HN VAL 57 -3.021 1.139 -2.911 316 HA VAL 57 HA VAL 57 -2.237 1.141 -0.076 317 HB VAL 57 HB VAL 57 -3.138 3.642 -0.207 318 1HG1 VAL 57 1HG1 VAL 57 -0.509 4.049 -0.931 319 2HG1 VAL 57 2HG1 VAL 57 -0.516 2.409 -0.284 320 3HG1 VAL 57 3HG1 VAL 57 -1.105 3.748 0.698 321 1HG2 VAL 57 1HG2 VAL 57 -1.880 3.298 -2.906 322 2HG2 VAL 57 2HG2 VAL 57 -2.382 4.819 -2.166 323 3HG2 VAL 57 3HG2 VAL 57 -3.589 3.607 -2.596 324 H ARG 58 HN ARG 58 -3.913 0.518 1.174 325 HA ARG 58 HA ARG 58 -6.631 1.177 0.296 326 1HB ARG 58 2HB ARG 58 -6.787 -1.040 -0.060 327 2HB ARG 58 1HB ARG 58 -5.476 -1.431 1.027 328 1HG ARG 58 2HG ARG 58 -6.893 -2.000 2.658 329 2HG ARG 58 1HG ARG 58 -7.850 -0.535 2.461 330 1HD ARG 58 2HD ARG 58 -8.060 -2.812 0.530 331 2HD ARG 58 1HD ARG 58 -8.998 -2.764 2.025 332 HE ARG 58 HE ARG 58 -9.156 -0.376 0.391 333 1HH1 ARG 58 1HH1 ARG 58 -10.559 -3.527 1.098 334 2HH1 ARG 58 2HH1 ARG 58 -12.133 -3.097 0.527 335 1HH2 ARG 58 1HH2 ARG 58 -11.283 0.158 -0.357 336 2HH2 ARG 58 2HH2 ARG 58 -12.539 -1.025 -0.293 337 H THR 59 HN THR 59 -8.131 1.822 1.917 338 HA THR 59 HA THR 59 -6.898 2.275 4.558 339 HB THR 59 HB THR 59 -7.390 4.363 3.459 340 HG1 THR 59 1HG THR 59 -7.836 4.367 5.653 341 1HG2 THR 59 1HG2 THR 59 -10.268 3.536 3.280 342 2HG2 THR 59 2HG2 THR 59 -9.142 3.527 1.925 343 3HG2 THR 59 3HG2 THR 59 -9.542 5.045 2.725 344 H THR 60 HN THR 60 -7.817 1.382 6.275 345 HA THR 60 HA THR 60 -10.456 0.125 5.938 346 HB THR 60 HB THR 60 -8.732 -1.007 8.026 347 HG1 THR 60 1HG THR 60 -7.092 -0.765 6.591 348 1HG2 THR 60 1HG2 THR 60 -10.020 -2.764 7.691 349 2HG2 THR 60 2HG2 THR 60 -9.529 -2.850 5.999 350 3HG2 THR 60 3HG2 THR 60 -10.899 -1.844 6.469 351 H GLU 61 HN GLU 61 -8.610 2.374 7.756 352 HA GLU 61 HA GLU 61 -10.364 2.220 10.068 353 1HB GLU 61 2HB GLU 61 -8.004 4.007 9.465 354 2HB GLU 61 1HB GLU 61 -8.928 4.056 10.960 355 1HG GLU 61 2HG GLU 61 -7.829 1.435 10.150 356 2HG GLU 61 1HG GLU 61 -6.679 2.660 10.686 357 H ARG 62 HN ARG 62 -11.150 3.153 7.273 358 HA ARG 62 HA ARG 62 -12.642 5.479 8.116 359 1HB ARG 62 2HB ARG 62 -10.973 6.607 6.936 360 2HB ARG 62 1HB ARG 62 -10.707 5.272 5.831 361 1HG ARG 62 2HG ARG 62 -12.378 5.907 4.431 362 2HG ARG 62 1HG ARG 62 -13.309 6.684 5.711 363 1HD ARG 62 2HD ARG 62 -10.936 8.143 5.564 364 2HD ARG 62 1HD ARG 62 -11.370 7.818 3.887 365 HE ARG 62 HE ARG 62 -13.130 9.259 4.099 366 1HH1 ARG 62 1HH1 ARG 62 -12.008 8.413 7.305 367 2HH1 ARG 62 2HH1 ARG 62 -13.031 9.564 8.096 368 1HH2 ARG 62 1HH2 ARG 62 -14.469 10.767 5.149 369 2HH2 ARG 62 2HH2 ARG 62 -14.425 10.897 6.875 370 H SER 63 HN SER 63 -14.515 4.318 8.179 371 HA SER 63 HA SER 63 -15.192 2.443 6.114 372 1HB SER 63 2HB SER 63 -17.399 2.344 7.403 373 2HB SER 63 1HB SER 63 -15.948 1.847 8.276 374 HG SER 63 HG SER 63 -16.024 3.643 9.466 375 HA PRO 64 HA PRO 64 -16.323 1.676 4.622 376 1HB PRO 64 2HB PRO 64 -16.593 1.771 1.960 377 2HB PRO 64 1HB PRO 64 -18.000 1.770 3.030 378 1HG PRO 64 2HG PRO 64 -16.690 4.065 1.627 379 2HG PRO 64 1HG PRO 64 -18.415 3.709 1.820 380 1HD PRO 64 2HD PRO 64 -17.036 5.504 3.371 381 2HD PRO 64 1HD PRO 64 -18.501 4.656 3.899 382 HA PRO 65 HA PRO 65 -11.932 1.983 3.811 383 1HB PRO 65 2HB PRO 65 -11.676 -0.362 2.333 384 2HB PRO 65 1HB PRO 65 -11.583 -0.244 4.092 385 1HG PRO 65 2HG PRO 65 -13.885 -1.040 2.364 386 2HG PRO 65 1HG PRO 65 -13.375 -1.697 3.931 387 1HD PRO 65 2HD PRO 65 -15.463 -0.043 3.750 388 2HD PRO 65 1HD PRO 65 -14.332 0.063 5.117 389 H GLN 66 HN GLN 66 -10.422 1.913 1.928 390 HA GLN 66 HA GLN 66 -11.660 2.353 -0.628 391 1HB GLN 66 2HB GLN 66 -11.012 4.462 1.033 392 2HB GLN 66 1HB GLN 66 -9.619 4.345 -0.028 393 1HG GLN 66 2HG GLN 66 -11.237 4.342 -1.945 394 2HG GLN 66 1HG GLN 66 -12.485 4.758 -0.773 395 1HE2 GLN 66 1HE2 GLN 66 -10.966 6.458 0.858 396 2HE2 GLN 66 2HE2 GLN 66 -10.612 7.896 -0.031 397 H GLU 67 HN GLU 67 -10.027 2.305 -2.386 398 HA GLU 67 HA GLU 67 -7.509 1.100 -1.526 399 1HB GLU 67 2HB GLU 67 -8.223 -0.171 -3.962 400 2HB GLU 67 1HB GLU 67 -7.953 -0.885 -2.394 401 1HG GLU 67 2HG GLU 67 -10.166 -1.078 -1.938 402 2HG GLU 67 1HG GLU 67 -10.612 0.308 -2.929 403 H GLY 68 HN GLY 68 -5.774 1.371 -2.896 404 1HA GLY 68 2HA GLY 68 -6.181 3.186 -5.196 405 2HA GLY 68 1HA GLY 68 -5.121 3.689 -3.904 406 H LEU 69 HN LEU 69 -4.057 3.732 -6.272 407 HA LEU 69 HA LEU 69 -2.097 1.586 -6.184 408 1HB LEU 69 2HB LEU 69 -3.976 2.084 -8.420 409 2HB LEU 69 1HB LEU 69 -2.307 1.753 -8.851 410 HG LEU 69 HG LEU 69 -2.594 -0.272 -7.233 411 1HD1 LEU 69 1HD1 LEU 69 -5.148 0.785 -7.052 412 2HD1 LEU 69 2HD1 LEU 69 -4.637 -0.825 -6.547 413 3HD1 LEU 69 3HD1 LEU 69 -5.324 -0.583 -8.151 414 1HD2 LEU 69 1HD2 LEU 69 -3.904 -0.330 -9.941 415 2HD2 LEU 69 2HD2 LEU 69 -3.105 -1.660 -9.102 416 3HD2 LEU 69 3HD2 LEU 69 -2.159 -0.293 -9.690 417 H VAL 70 HN VAL 70 -0.103 2.264 -6.508 418 HA VAL 70 HA VAL 70 0.561 4.515 -8.153 419 HB VAL 70 HB VAL 70 1.906 5.340 -5.870 420 1HG1 VAL 70 1HG1 VAL 70 0.491 6.504 -7.803 421 2HG1 VAL 70 2HG1 VAL 70 0.980 7.348 -6.333 422 3HG1 VAL 70 3HG1 VAL 70 -0.652 6.694 -6.473 423 1HG2 VAL 70 1HG2 VAL 70 0.592 5.369 -4.009 424 2HG2 VAL 70 2HG2 VAL 70 0.043 3.846 -4.705 425 3HG2 VAL 70 3HG2 VAL 70 -0.911 5.311 -4.928 426 HA PRO 71 HA PRO 71 4.328 2.289 -7.953 427 1HB PRO 71 2HB PRO 71 6.274 4.060 -8.422 428 2HB PRO 71 1HB PRO 71 5.083 3.599 -9.643 429 1HG PRO 71 2HG PRO 71 5.319 6.116 -8.119 430 2HG PRO 71 1HG PRO 71 4.508 5.811 -9.662 431 1HD PRO 71 2HD PRO 71 3.328 5.995 -7.047 432 2HD PRO 71 1HD PRO 71 2.518 5.696 -8.587 433 H SER 72 HN SER 72 6.074 1.635 -6.737 434 HA SER 72 HA SER 72 6.027 1.890 -4.041 435 1HB SER 72 2HB SER 72 7.288 0.105 -4.879 436 2HB SER 72 1HB SER 72 8.241 1.146 -5.934 437 HG SER 72 HG SER 72 9.400 1.850 -4.202 438 H SER 73 HN SER 73 7.513 4.071 -6.324 439 HA SER 73 HA SER 73 9.299 5.403 -4.628 440 1HB SER 73 2HB SER 73 9.430 5.825 -6.980 441 2HB SER 73 1HB SER 73 7.749 6.353 -7.044 442 HG SER 73 HG SER 73 9.864 7.851 -6.684 443 H THR 74 HN THR 74 5.823 5.645 -5.010 444 HA THR 74 HA THR 74 5.722 7.885 -3.114 445 HB THR 74 HB THR 74 3.792 8.518 -4.118 446 HG1 THR 74 1HG THR 74 2.384 6.937 -3.818 447 1HG2 THR 74 1HG2 THR 74 3.783 8.167 -6.498 448 2HG2 THR 74 2HG2 THR 74 4.893 6.811 -6.300 449 3HG2 THR 74 3HG2 THR 74 5.423 8.438 -5.911 450 H LEU 75 HN LEU 75 5.813 4.651 -2.891 451 HA LEU 75 HA LEU 75 3.957 4.585 -0.642 452 1HB LEU 75 2HB LEU 75 4.412 2.420 -2.677 453 2HB LEU 75 1HB LEU 75 3.465 2.243 -1.225 454 HG LEU 75 HG LEU 75 2.435 4.486 -2.621 455 1HD1 LEU 75 1HD1 LEU 75 1.683 2.739 -4.591 456 2HD1 LEU 75 2HD1 LEU 75 3.394 2.375 -4.392 457 3HD1 LEU 75 3HD1 LEU 75 2.876 4.019 -4.756 458 1HD2 LEU 75 1HD2 LEU 75 1.210 1.740 -2.442 459 2HD2 LEU 75 2HD2 LEU 75 0.386 3.293 -2.538 460 3HD2 LEU 75 3HD2 LEU 75 1.276 2.857 -1.080 461 H CYS 76 HN CYS 76 4.806 3.793 1.141 462 HA CYS 76 HA CYS 76 7.532 3.418 1.513 463 1HB CYS 76 2HB CYS 76 5.699 3.847 3.268 464 2HB CYS 76 1HB CYS 76 5.488 2.101 3.285 465 HG CYS 76 HG CYS 76 7.244 2.178 4.996 466 H ILE 77 HN ILE 77 8.873 1.817 1.024 467 HA ILE 77 HA ILE 77 7.828 -0.915 0.868 468 HB ILE 77 HB ILE 77 8.966 -1.377 -1.194 469 1HG1 ILE 77 2HG1 ILE 77 10.893 0.166 -0.857 470 2HG1 ILE 77 1HG1 ILE 77 10.195 0.282 -2.467 471 1HG2 ILE 77 1HG2 ILE 77 7.679 1.135 -2.022 472 2HG2 ILE 77 2HG2 ILE 77 6.708 0.089 -0.990 473 3HG2 ILE 77 3HG2 ILE 77 7.353 -0.526 -2.511 474 1HD1 ILE 77 1HD1 ILE 77 10.217 2.477 -2.129 475 2HD1 ILE 77 2HD1 ILE 77 10.458 2.294 -0.392 476 3HD1 ILE 77 3HD1 ILE 77 8.832 2.209 -1.070 477 H SER 78 HN SER 78 9.988 -2.338 0.231 478 HA SER 78 HA SER 78 11.807 -1.797 2.467 479 1HB SER 78 2HB SER 78 12.475 -4.208 2.145 480 2HB SER 78 1HB SER 78 10.789 -3.969 2.603 481 HG SER 78 HG SER 78 10.289 -4.993 0.852 482 H HIS 79 HN HIS 79 13.586 -0.729 1.918 483 HA HIS 79 HA HIS 79 14.631 -0.711 -0.740 484 1HB HIS 79 2HB HIS 79 16.437 0.675 0.216 485 2HB HIS 79 1HB HIS 79 14.842 1.256 0.681 486 HD1 HIS 79 1HD HIS 79 18.048 0.184 2.062 487 HD2 HIS 79 2HD HIS 79 14.144 0.584 3.427 488 HE1 HIS 79 1HE HIS 79 18.208 0.154 4.572 489 HE2 HIS 79 2HE HIS 79 15.824 0.308 5.374 490 H SER 80 HN SER 80 15.104 -2.879 -1.216 491 HA SER 80 HA SER 80 17.232 -4.142 0.355 492 1HB SER 80 2HB SER 80 15.387 -5.263 -1.766 493 2HB SER 80 1HB SER 80 16.662 -6.185 -0.968 494 HG SER 80 HG SER 80 14.181 -5.664 -0.108 Start of MODEL 16 1 H SER 14 HN SER 14 -4.775 -17.687 1.343 2 HA SER 14 HA SER 14 -5.370 -15.996 -0.057 3 1HB SER 14 2HB SER 14 -7.556 -17.485 0.062 4 2HB SER 14 1HB SER 14 -8.206 -16.070 0.890 5 HG SER 14 HG SER 14 -7.429 -14.849 -0.973 6 H GLY 15 HN GLY 15 -4.665 -14.025 0.408 7 1HA GLY 15 2HA GLY 15 -5.714 -11.841 1.249 8 2HA GLY 15 1HA GLY 15 -5.737 -12.673 2.797 9 H GLY 16 HN GLY 16 -4.385 -10.207 2.160 10 1HA GLY 16 2HA GLY 16 -1.981 -10.567 3.493 11 2HA GLY 16 1HA GLY 16 -1.605 -10.663 1.780 12 H CYS 17 HN CYS 17 -2.127 -8.612 4.411 13 HA CYS 17 HA CYS 17 -1.913 -6.278 2.661 14 1HB CYS 17 2HB CYS 17 -3.316 -5.067 4.470 15 2HB CYS 17 1HB CYS 17 -4.150 -6.054 3.279 16 HG CYS 17 HG CYS 17 -4.392 -7.908 5.150 17 H GLU 18 HN GLU 18 -0.433 -4.824 3.284 18 HA GLU 18 HA GLU 18 0.768 -5.142 5.953 19 1HB GLU 18 2HB GLU 18 2.262 -6.160 4.322 20 2HB GLU 18 1HB GLU 18 2.246 -4.694 3.354 21 1HG GLU 18 2HG GLU 18 3.385 -3.483 5.101 22 2HG GLU 18 1HG GLU 18 3.306 -4.888 6.165 23 H LEU 19 HN LEU 19 1.565 -3.258 6.897 24 HA LEU 19 HA LEU 19 0.192 -0.878 6.050 25 1HB LEU 19 2HB LEU 19 2.250 -0.628 8.139 26 2HB LEU 19 1HB LEU 19 0.635 0.035 8.071 27 HG LEU 19 HG LEU 19 1.413 -2.759 8.882 28 1HD1 LEU 19 1HD1 LEU 19 -0.055 -1.864 10.888 29 2HD1 LEU 19 2HD1 LEU 19 0.502 -0.304 10.280 30 3HD1 LEU 19 3HD1 LEU 19 1.672 -1.526 10.780 31 1HD2 LEU 19 1HD2 LEU 19 -1.223 -1.605 8.091 32 2HD2 LEU 19 2HD2 LEU 19 -1.155 -2.812 9.376 33 3HD2 LEU 19 3HD2 LEU 19 -0.552 -3.204 7.765 34 H THR 20 HN THR 20 0.929 0.738 4.915 35 HA THR 20 HA THR 20 3.804 1.096 4.538 36 HB THR 20 HB THR 20 3.149 -0.266 2.653 37 HG1 THR 20 1HG THR 20 4.101 0.966 1.223 38 1HG2 THR 20 1HG2 THR 20 0.765 0.150 2.576 39 2HG2 THR 20 2HG2 THR 20 1.511 0.462 1.008 40 3HG2 THR 20 3HG2 THR 20 1.060 1.809 2.054 41 H VAL 21 HN VAL 21 4.445 3.187 4.123 42 HA VAL 21 HA VAL 21 2.351 5.226 4.413 43 HB VAL 21 HB VAL 21 4.362 6.714 5.001 44 1HG1 VAL 21 1HG1 VAL 21 4.449 5.505 7.364 45 2HG1 VAL 21 2HG1 VAL 21 3.083 4.629 6.673 46 3HG1 VAL 21 3HG1 VAL 21 3.026 6.387 6.811 47 1HG2 VAL 21 1HG2 VAL 21 5.689 4.139 5.759 48 2HG2 VAL 21 2HG2 VAL 21 6.378 5.760 5.668 49 3HG2 VAL 21 3HG2 VAL 21 5.979 4.887 4.189 50 H VAL 22 HN VAL 22 2.142 6.803 2.871 51 HA VAL 22 HA VAL 22 3.491 6.330 0.391 52 HB VAL 22 HB VAL 22 2.135 8.522 -0.208 53 1HG1 VAL 22 1HG1 VAL 22 1.640 6.674 -1.435 54 2HG1 VAL 22 2HG1 VAL 22 0.133 6.891 -0.545 55 3HG1 VAL 22 3HG1 VAL 22 1.309 5.690 -0.012 56 1HG2 VAL 22 1HG2 VAL 22 0.178 8.910 0.989 57 2HG2 VAL 22 2HG2 VAL 22 1.418 8.746 2.232 58 3HG2 VAL 22 3HG2 VAL 22 0.328 7.402 1.891 59 H LEU 23 HN LEU 23 5.231 7.288 -0.310 60 HA LEU 23 HA LEU 23 6.556 9.243 1.239 61 1HB LEU 23 2HB LEU 23 7.458 8.631 -1.529 62 2HB LEU 23 1HB LEU 23 8.410 8.897 -0.082 63 HG LEU 23 HG LEU 23 6.919 6.390 -0.846 64 1HD1 LEU 23 1HD1 LEU 23 9.769 6.357 -0.119 65 2HD1 LEU 23 2HD1 LEU 23 9.374 7.184 -1.625 66 3HD1 LEU 23 3HD1 LEU 23 8.910 5.498 -1.397 67 1HD2 LEU 23 1HD2 LEU 23 8.003 5.498 1.279 68 2HD2 LEU 23 2HD2 LEU 23 6.590 6.534 1.475 69 3HD2 LEU 23 3HD2 LEU 23 8.205 7.186 1.750 70 H GLN 24 HN GLN 24 4.436 9.414 -1.521 71 HA GLN 24 HA GLN 24 4.751 12.302 -1.454 72 1HB GLN 24 2HB GLN 24 5.338 12.577 -3.634 73 2HB GLN 24 1HB GLN 24 6.132 11.062 -3.303 74 1HG GLN 24 2HG GLN 24 5.088 10.121 -4.987 75 2HG GLN 24 1HG GLN 24 3.521 10.498 -4.290 76 1HE2 GLN 24 1HE2 GLN 24 4.792 10.559 -7.076 77 2HE2 GLN 24 2HE2 GLN 24 4.302 12.091 -7.705 78 H ASP 25 HN ASP 25 2.910 13.473 -2.260 79 HA ASP 25 HA ASP 25 0.450 12.165 -1.675 80 1HB ASP 25 2HB ASP 25 0.017 14.590 -3.207 81 2HB ASP 25 1HB ASP 25 -0.447 14.210 -1.569 82 H PHE 26 HN PHE 26 -1.215 11.646 -3.042 83 HA PHE 26 HA PHE 26 -0.759 11.724 -5.914 84 1HB PHE 26 2HB PHE 26 0.148 9.549 -5.052 85 2HB PHE 26 1HB PHE 26 -1.479 9.129 -4.568 86 HD1 PHE 26 1HD PHE 26 -2.934 8.110 -6.055 87 HD2 PHE 26 2HD PHE 26 0.506 10.129 -7.537 88 HE1 PHE 26 1HE PHE 26 -3.406 7.253 -8.311 89 HE2 PHE 26 2HE PHE 26 0.040 9.275 -9.796 90 HZ PHE 26 HZ PHE 26 -1.919 7.835 -10.186 91 H SER 27 HN SER 27 -2.637 11.383 -7.155 92 HA SER 27 HA SER 27 -5.134 11.472 -5.650 93 1HB SER 27 2HB SER 27 -5.747 12.865 -7.848 94 2HB SER 27 1HB SER 27 -5.096 13.628 -6.409 95 HG SER 27 HG SER 27 -4.112 13.915 -8.705 96 H ALA 28 HN ALA 28 -6.693 10.170 -6.439 97 HA ALA 28 HA ALA 28 -6.150 7.952 -7.870 98 1HB ALA 28 1HB ALA 28 -8.884 9.123 -7.967 99 2HB ALA 28 2HB ALA 28 -8.183 8.590 -6.446 100 3HB ALA 28 3HB ALA 28 -8.397 7.443 -7.764 101 H ALA 29 HN ALA 29 -7.790 7.357 -9.771 102 HA ALA 29 HA ALA 29 -8.318 9.033 -11.889 103 1HB ALA 29 1HB ALA 29 -5.502 7.976 -11.957 104 2HB ALA 29 2HB ALA 29 -6.064 9.630 -12.203 105 3HB ALA 29 3HB ALA 29 -6.377 8.401 -13.428 106 H HIS 30 HN HIS 30 -7.213 5.887 -10.814 107 HA HIS 30 HA HIS 30 -8.669 4.621 -13.013 108 1HB HIS 30 2HB HIS 30 -6.149 4.094 -12.094 109 2HB HIS 30 1HB HIS 30 -7.097 2.871 -11.255 110 HD1 HIS 30 1HD HIS 30 -6.355 0.863 -12.589 111 HD2 HIS 30 2HD HIS 30 -7.812 3.937 -14.973 112 HE1 HIS 30 1HE HIS 30 -6.552 -0.114 -14.898 113 HE2 HIS 30 2HE HIS 30 -7.520 1.739 -16.304 114 H SER 31 HN SER 31 -9.453 2.343 -12.265 115 HA SER 31 HA SER 31 -11.802 2.600 -10.915 116 1HB SER 31 2HB SER 31 -11.180 0.648 -12.295 117 2HB SER 31 1HB SER 31 -10.115 0.092 -11.004 118 HG SER 31 HG SER 31 -12.872 0.576 -10.596 119 H SER 32 HN SER 32 -9.075 0.834 -9.452 120 HA SER 32 HA SER 32 -10.190 1.404 -6.828 121 1HB SER 32 2HB SER 32 -7.678 -0.151 -7.060 122 2HB SER 32 1HB SER 32 -9.118 -0.467 -6.091 123 HG SER 32 HG SER 32 -10.114 -1.335 -7.856 124 H GLU 33 HN GLU 33 -9.171 3.718 -8.055 125 HA GLU 33 HA GLU 33 -6.631 4.158 -6.675 126 1HB GLU 33 2HB GLU 33 -7.930 5.309 -9.085 127 2HB GLU 33 1HB GLU 33 -6.846 6.321 -8.161 128 1HG GLU 33 2HG GLU 33 -5.373 4.122 -8.330 129 2HG GLU 33 1HG GLU 33 -6.294 4.000 -9.820 130 H LEU 34 HN LEU 34 -6.337 6.027 -5.442 131 HA LEU 34 HA LEU 34 -8.586 7.714 -4.830 132 1HB LEU 34 2HB LEU 34 -7.974 7.271 -2.307 133 2HB LEU 34 1HB LEU 34 -9.206 6.364 -3.155 134 HG LEU 34 HG LEU 34 -7.198 4.698 -3.623 135 1HD1 LEU 34 1HD1 LEU 34 -5.590 6.271 -2.503 136 2HD1 LEU 34 2HD1 LEU 34 -5.606 4.623 -1.872 137 3HD1 LEU 34 3HD1 LEU 34 -6.418 5.914 -0.987 138 1HD2 LEU 34 1HD2 LEU 34 -8.751 5.017 -1.064 139 2HD2 LEU 34 2HD2 LEU 34 -7.806 3.582 -1.463 140 3HD2 LEU 34 3HD2 LEU 34 -9.176 4.045 -2.473 141 H SER 35 HN SER 35 -7.939 9.467 -3.324 142 HA SER 35 HA SER 35 -5.332 10.415 -4.040 143 1HB SER 35 2HB SER 35 -6.322 12.440 -2.616 144 2HB SER 35 1HB SER 35 -6.764 12.182 -4.302 145 HG SER 35 HG SER 35 -8.619 12.473 -3.048 146 H ILE 36 HN ILE 36 -3.682 10.537 -2.797 147 HA ILE 36 HA ILE 36 -3.967 10.162 0.098 148 HB ILE 36 HB ILE 36 -1.886 8.805 0.080 149 1HG1 ILE 36 2HG1 ILE 36 -1.613 7.724 -2.359 150 2HG1 ILE 36 1HG1 ILE 36 -2.178 9.317 -2.825 151 1HG2 ILE 36 1HG2 ILE 36 -4.319 7.917 -0.041 152 2HG2 ILE 36 2HG2 ILE 36 -2.982 6.798 -0.308 153 3HG2 ILE 36 3HG2 ILE 36 -3.884 7.439 -1.681 154 1HD1 ILE 36 1HD1 ILE 36 0.162 8.872 -1.008 155 2HD1 ILE 36 2HD1 ILE 36 -0.334 10.369 -1.791 156 3HD1 ILE 36 3HD1 ILE 36 0.298 9.038 -2.758 157 H GLN 37 HN GLN 37 -1.952 10.799 1.245 158 HA GLN 37 HA GLN 37 -0.554 12.987 -0.076 159 1HB GLN 37 2HB GLN 37 -2.150 12.952 2.411 160 2HB GLN 37 1HB GLN 37 -0.656 13.861 2.455 161 1HG GLN 37 2HG GLN 37 -1.555 15.542 1.321 162 2HG GLN 37 1HG GLN 37 -2.126 14.453 0.057 163 1HE2 GLN 37 1HE2 GLN 37 -2.929 16.151 2.959 164 2HE2 GLN 37 2HE2 GLN 37 -4.629 15.847 2.919 165 H VAL 38 HN VAL 38 1.518 13.478 0.740 166 HA VAL 38 HA VAL 38 3.084 11.214 1.404 167 HB VAL 38 HB VAL 38 4.019 13.063 0.143 168 1HG1 VAL 38 1HG1 VAL 38 2.654 14.702 1.826 169 2HG1 VAL 38 2HG1 VAL 38 3.899 15.223 0.692 170 3HG1 VAL 38 3HG1 VAL 38 4.314 14.921 2.379 171 1HG2 VAL 38 1HG2 VAL 38 6.140 13.159 1.118 172 2HG2 VAL 38 2HG2 VAL 38 5.447 11.676 1.777 173 3HG2 VAL 38 3HG2 VAL 38 5.488 13.141 2.758 174 H GLY 39 HN GLY 39 3.330 10.289 3.366 175 1HA GLY 39 2HA GLY 39 4.235 10.671 5.612 176 2HA GLY 39 1HA GLY 39 3.154 12.040 5.742 177 H GLN 40 HN GLN 40 0.973 10.358 4.477 178 HA GLN 40 HA GLN 40 -0.060 9.392 6.923 179 1HB GLN 40 2HB GLN 40 -2.045 8.963 5.746 180 2HB GLN 40 1HB GLN 40 -1.406 10.468 5.159 181 1HG GLN 40 2HG GLN 40 -0.469 9.288 3.252 182 2HG GLN 40 1HG GLN 40 -1.203 7.803 3.835 183 1HE2 GLN 40 1HE2 GLN 40 -2.703 7.376 2.335 184 2HE2 GLN 40 2HE2 GLN 40 -3.976 8.448 1.870 185 H THR 41 HN THR 41 -1.141 7.238 7.042 186 HA THR 41 HA THR 41 0.602 5.177 5.867 187 HB THR 41 HB THR 41 -0.496 5.313 8.668 188 HG1 THR 41 1HG THR 41 1.544 5.437 9.202 189 1HG2 THR 41 1HG2 THR 41 -0.942 3.093 8.469 190 2HG2 THR 41 2HG2 THR 41 0.800 2.955 8.707 191 3HG2 THR 41 3HG2 THR 41 0.125 2.892 7.079 192 H VAL 42 HN VAL 42 -0.351 3.796 4.647 193 HA VAL 42 HA VAL 42 -3.014 2.882 5.305 194 HB VAL 42 HB VAL 42 -2.391 4.470 2.910 195 1HG1 VAL 42 1HG1 VAL 42 -3.658 1.789 2.694 196 2HG1 VAL 42 2HG1 VAL 42 -2.455 2.516 1.656 197 3HG1 VAL 42 3HG1 VAL 42 -4.126 3.084 1.602 198 1HG2 VAL 42 1HG2 VAL 42 -4.111 5.324 4.205 199 2HG2 VAL 42 2HG2 VAL 42 -4.794 3.730 4.525 200 3HG2 VAL 42 3HG2 VAL 42 -4.987 4.469 2.935 201 H GLU 43 HN GLU 43 -3.302 0.792 4.865 202 HA GLU 43 HA GLU 43 -0.947 -0.742 4.522 203 1HB GLU 43 2HB GLU 43 -2.380 -2.669 4.933 204 2HB GLU 43 1HB GLU 43 -2.708 -1.392 6.097 205 1HG GLU 43 2HG GLU 43 -4.600 -0.691 4.539 206 2HG GLU 43 1HG GLU 43 -4.364 -2.249 3.748 207 H LEU 44 HN LEU 44 -0.193 -1.800 2.771 208 HA LEU 44 HA LEU 44 -1.419 -1.329 0.257 209 1HB LEU 44 2HB LEU 44 0.410 -2.749 -0.624 210 2HB LEU 44 1HB LEU 44 0.908 -1.325 0.231 211 HG LEU 44 HG LEU 44 0.955 -3.242 2.209 212 1HD1 LEU 44 1HD1 LEU 44 2.377 -4.622 0.021 213 2HD1 LEU 44 2HD1 LEU 44 0.623 -4.790 0.069 214 3HD1 LEU 44 3HD1 LEU 44 1.593 -5.275 1.460 215 1HD2 LEU 44 1HD2 LEU 44 2.693 -1.469 1.126 216 2HD2 LEU 44 2HD2 LEU 44 3.448 -2.999 0.681 217 3HD2 LEU 44 3HD2 LEU 44 3.113 -2.640 2.375 218 H LEU 45 HN LEU 45 -2.185 -2.724 -1.172 219 HA LEU 45 HA LEU 45 -3.753 -4.869 -0.103 220 1HB LEU 45 2HB LEU 45 -3.407 -4.274 -3.024 221 2HB LEU 45 1HB LEU 45 -4.788 -4.978 -2.216 222 HG LEU 45 HG LEU 45 -3.956 -2.121 -1.718 223 1HD1 LEU 45 1HD1 LEU 45 -4.321 -2.206 -4.071 224 2HD1 LEU 45 2HD1 LEU 45 -5.777 -1.538 -3.342 225 3HD1 LEU 45 3HD1 LEU 45 -5.750 -3.217 -3.875 226 1HD2 LEU 45 1HD2 LEU 45 -6.267 -1.867 -1.034 227 2HD2 LEU 45 2HD2 LEU 45 -5.474 -3.137 -0.103 228 3HD2 LEU 45 3HD2 LEU 45 -6.580 -3.561 -1.409 229 H GLU 46 HN GLU 46 -1.127 -4.726 -2.548 230 HA GLU 46 HA GLU 46 -0.412 -7.429 -1.784 231 1HB GLU 46 2HB GLU 46 0.105 -7.646 -4.390 232 2HB GLU 46 1HB GLU 46 -1.432 -8.126 -3.700 233 1HG GLU 46 2HG GLU 46 -2.397 -5.996 -4.380 234 2HG GLU 46 1HG GLU 46 -0.840 -5.497 -5.041 235 H ARG 47 HN ARG 47 1.668 -7.905 -3.287 236 HA ARG 47 HA ARG 47 3.554 -5.752 -2.637 237 1HB ARG 47 2HB ARG 47 3.643 -8.692 -2.482 238 2HB ARG 47 1HB ARG 47 5.120 -7.936 -3.056 239 1HG ARG 47 2HG ARG 47 5.602 -7.030 -1.047 240 2HG ARG 47 1HG ARG 47 3.906 -6.747 -0.645 241 1HD ARG 47 2HD ARG 47 4.736 -9.571 -0.814 242 2HD ARG 47 1HD ARG 47 5.436 -8.645 0.513 243 HE ARG 47 HE ARG 47 2.739 -9.542 0.282 244 1HH1 ARG 47 1HH1 ARG 47 4.728 -6.978 1.592 245 2HH1 ARG 47 2HH1 ARG 47 3.601 -6.579 2.842 246 1HH2 ARG 47 1HH2 ARG 47 1.263 -9.011 1.928 247 2HH2 ARG 47 2HH2 ARG 47 1.637 -7.730 3.035 248 HA PRO 48 HA PRO 48 4.846 -5.349 -6.850 249 1HB PRO 48 2HB PRO 48 7.511 -5.067 -6.738 250 2HB PRO 48 1HB PRO 48 6.410 -3.843 -6.092 251 1HG PRO 48 2HG PRO 48 7.930 -5.977 -4.645 252 2HG PRO 48 1HG PRO 48 7.691 -4.277 -4.200 253 1HD PRO 48 2HD PRO 48 6.246 -6.328 -3.132 254 2HD PRO 48 1HD PRO 48 5.622 -4.676 -3.297 255 H SER 49 HN SER 49 4.242 -7.939 -6.583 256 HA SER 49 HA SER 49 6.484 -9.595 -7.322 257 1HB SER 49 2HB SER 49 3.637 -10.054 -6.640 258 2HB SER 49 1HB SER 49 4.423 -11.242 -7.680 259 HG SER 49 HG SER 49 4.830 -11.941 -5.656 260 H GLU 50 HN GLU 50 3.524 -8.442 -8.754 261 HA GLU 50 HA GLU 50 4.116 -9.495 -11.337 262 1HB GLU 50 2HB GLU 50 2.009 -8.622 -11.956 263 2HB GLU 50 1HB GLU 50 1.845 -9.302 -10.360 264 1HG GLU 50 2HG GLU 50 2.347 -6.832 -9.645 265 2HG GLU 50 1HG GLU 50 1.697 -6.506 -11.249 266 H ARG 51 HN ARG 51 4.242 -6.427 -9.713 267 HA ARG 51 HA ARG 51 5.727 -5.319 -12.007 268 1HB ARG 51 2HB ARG 51 4.381 -3.331 -10.287 269 2HB ARG 51 1HB ARG 51 4.604 -3.347 -12.026 270 1HG ARG 51 2HG ARG 51 2.787 -5.103 -12.091 271 2HG ARG 51 1HG ARG 51 2.466 -4.678 -10.408 272 1HD ARG 51 2HD ARG 51 1.022 -3.233 -11.402 273 2HD ARG 51 1HD ARG 51 2.471 -2.230 -11.451 274 HE ARG 51 HE ARG 51 2.318 -2.292 -13.715 275 1HH1 ARG 51 1HH1 ARG 51 0.796 -5.190 -12.478 276 2HH1 ARG 51 2HH1 ARG 51 0.333 -5.759 -14.045 277 1HH2 ARG 51 1HH2 ARG 51 1.707 -3.050 -15.769 278 2HH2 ARG 51 2HH2 ARG 51 0.850 -4.548 -15.911 279 HA PRO 52 HA PRO 52 8.585 -4.688 -8.607 280 1HB PRO 52 2HB PRO 52 10.831 -4.425 -10.037 281 2HB PRO 52 1HB PRO 52 10.028 -5.992 -9.891 282 1HG PRO 52 2HG PRO 52 10.085 -4.102 -12.181 283 2HG PRO 52 1HG PRO 52 9.991 -5.871 -12.183 284 1HD PRO 52 2HD PRO 52 7.843 -4.052 -12.495 285 2HD PRO 52 1HD PRO 52 7.726 -5.807 -12.261 286 H GLY 53 HN GLY 53 7.892 -2.755 -7.833 287 1HA GLY 53 2HA GLY 53 9.148 -0.577 -7.524 288 2HA GLY 53 1HA GLY 53 8.825 -0.340 -9.229 289 H TRP 54 HN TRP 54 6.181 -1.861 -8.194 290 HA TRP 54 HA TRP 54 4.758 0.600 -7.732 291 1HB TRP 54 2HB TRP 54 2.993 -0.275 -8.875 292 2HB TRP 54 1HB TRP 54 4.306 -1.110 -9.658 293 HD1 TRP 54 1HD TRP 54 4.729 -3.408 -7.454 294 HE1 TRP 54 1HE TRP 54 2.946 -5.274 -7.228 295 HE3 TRP 54 3HE TRP 54 0.827 -0.998 -9.611 296 HZ2 TRP 54 2HZ TRP 54 0.222 -5.647 -7.913 297 HZ3 TRP 54 3HZ TRP 54 -1.345 -2.158 -9.809 298 HH2 TRP 54 2HH TRP 54 -1.639 -4.435 -8.969 299 H CYS 55 HN CYS 55 2.790 0.511 -6.358 300 HA CYS 55 HA CYS 55 2.614 -1.568 -4.390 301 1HB CYS 55 2HB CYS 55 4.277 0.565 -3.735 302 2HB CYS 55 1HB CYS 55 2.800 0.864 -2.852 303 HG CYS 55 HG CYS 55 3.128 -1.560 -1.798 304 H LEU 56 HN LEU 56 0.797 -1.365 -3.022 305 HA LEU 56 HA LEU 56 -1.286 0.361 -4.161 306 1HB LEU 56 2HB LEU 56 -1.276 -2.433 -3.129 307 2HB LEU 56 1HB LEU 56 -2.749 -1.503 -3.136 308 HG LEU 56 HG LEU 56 -2.885 -1.460 -5.458 309 1HD1 LEU 56 1HD1 LEU 56 0.065 -2.087 -5.477 310 2HD1 LEU 56 2HD1 LEU 56 -0.743 -0.646 -6.093 311 3HD1 LEU 56 3HD1 LEU 56 -0.948 -2.192 -6.917 312 1HD2 LEU 56 1HD2 LEU 56 -1.937 -3.997 -4.306 313 2HD2 LEU 56 2HD2 LEU 56 -1.972 -3.910 -6.066 314 3HD2 LEU 56 3HD2 LEU 56 -3.445 -3.625 -5.139 315 H VAL 57 HN VAL 57 -3.048 0.993 -2.706 316 HA VAL 57 HA VAL 57 -2.255 1.108 0.121 317 HB VAL 57 HB VAL 57 -3.288 3.544 -0.047 318 1HG1 VAL 57 1HG1 VAL 57 -1.228 3.795 0.765 319 2HG1 VAL 57 2HG1 VAL 57 -0.723 4.096 -0.896 320 3HG1 VAL 57 3HG1 VAL 57 -0.596 2.474 -0.215 321 1HG2 VAL 57 1HG2 VAL 57 -1.876 3.776 -2.598 322 2HG2 VAL 57 2HG2 VAL 57 -3.334 4.584 -2.024 323 3HG2 VAL 57 3HG2 VAL 57 -3.432 2.950 -2.679 324 H ARG 58 HN ARG 58 -3.898 0.482 1.438 325 HA ARG 58 HA ARG 58 -6.619 0.480 0.373 326 1HB ARG 58 2HB ARG 58 -6.123 -1.686 1.094 327 2HB ARG 58 1HB ARG 58 -5.214 -1.115 2.469 328 1HG ARG 58 2HG ARG 58 -7.234 -2.184 3.215 329 2HG ARG 58 1HG ARG 58 -7.306 -0.462 3.579 330 1HD ARG 58 2HD ARG 58 -9.352 -1.718 2.522 331 2HD ARG 58 1HD ARG 58 -8.967 -0.074 2.061 332 HE ARG 58 HE ARG 58 -7.903 -0.956 0.062 333 1HH1 ARG 58 1HH1 ARG 58 -10.127 -3.136 1.744 334 2HH1 ARG 58 2HH1 ARG 58 -10.327 -4.160 0.371 335 1HH2 ARG 58 1HH2 ARG 58 -8.196 -2.372 -1.702 336 2HH2 ARG 58 2HH2 ARG 58 -9.251 -3.733 -1.562 337 H THR 59 HN THR 59 -8.302 1.607 1.396 338 HA THR 59 HA THR 59 -7.444 3.509 3.430 339 HB THR 59 HB THR 59 -9.677 3.375 1.459 340 HG1 THR 59 1HG THR 59 -7.722 4.242 0.759 341 1HG2 THR 59 1HG2 THR 59 -10.227 5.742 2.315 342 2HG2 THR 59 2HG2 THR 59 -9.545 5.155 3.833 343 3HG2 THR 59 3HG2 THR 59 -10.935 4.339 3.117 344 H THR 60 HN THR 60 -8.021 3.242 5.485 345 HA THR 60 HA THR 60 -10.240 1.391 6.070 346 HB THR 60 HB THR 60 -8.876 1.236 8.345 347 HG1 THR 60 1HG THR 60 -7.167 2.495 7.987 348 1HG2 THR 60 1HG2 THR 60 -7.350 -0.511 6.962 349 2HG2 THR 60 2HG2 THR 60 -8.704 -0.293 5.853 350 3HG2 THR 60 3HG2 THR 60 -8.995 -0.832 7.507 351 H GLU 61 HN GLU 61 -9.117 4.602 6.413 352 HA GLU 61 HA GLU 61 -10.649 5.112 8.816 353 1HB GLU 61 2HB GLU 61 -9.263 7.125 7.050 354 2HB GLU 61 1HB GLU 61 -9.801 7.358 8.708 355 1HG GLU 61 2HG GLU 61 -8.165 5.649 9.431 356 2HG GLU 61 1HG GLU 61 -7.582 5.555 7.770 357 H ARG 62 HN ARG 62 -11.732 4.418 5.972 358 HA ARG 62 HA ARG 62 -13.991 6.206 6.136 359 1HB ARG 62 2HB ARG 62 -12.833 7.366 4.474 360 2HB ARG 62 1HB ARG 62 -12.100 5.913 3.824 361 1HG ARG 62 2HG ARG 62 -13.754 5.571 2.383 362 2HG ARG 62 1HG ARG 62 -14.999 5.967 3.566 363 1HD ARG 62 2HD ARG 62 -13.423 8.274 2.707 364 2HD ARG 62 1HD ARG 62 -14.310 7.501 1.394 365 HE ARG 62 HE ARG 62 -16.035 7.829 3.580 366 1HH1 ARG 62 1HH1 ARG 62 -14.359 9.770 1.199 367 2HH1 ARG 62 2HH1 ARG 62 -15.540 11.036 1.226 368 1HH2 ARG 62 1HH2 ARG 62 -17.579 9.497 3.608 369 2HH2 ARG 62 2HH2 ARG 62 -17.364 10.882 2.591 370 H SER 63 HN SER 63 -15.285 4.542 6.807 371 HA SER 63 HA SER 63 -15.224 1.978 5.493 372 1HB SER 63 2HB SER 63 -15.627 2.210 7.942 373 2HB SER 63 1HB SER 63 -17.169 2.986 7.578 374 HG SER 63 HG SER 63 -17.937 1.042 7.485 375 HA PRO 64 HA PRO 64 -16.263 0.285 4.629 376 1HB PRO 64 2HB PRO 64 -16.506 -0.550 2.076 377 2HB PRO 64 1HB PRO 64 -17.833 -0.675 3.238 378 1HG PRO 64 2HG PRO 64 -17.365 1.383 1.114 379 2HG PRO 64 1HG PRO 64 -18.867 0.554 1.558 380 1HD PRO 64 2HD PRO 64 -18.273 3.070 2.385 381 2HD PRO 64 1HD PRO 64 -19.263 1.949 3.340 382 HA PRO 65 HA PRO 65 -12.088 1.317 3.480 383 1HB PRO 65 2HB PRO 65 -12.060 -1.362 2.170 384 2HB PRO 65 1HB PRO 65 -10.889 -0.632 3.275 385 1HG PRO 65 2HG PRO 65 -12.622 -2.478 4.131 386 2HG PRO 65 1HG PRO 65 -12.157 -1.105 5.151 387 1HD PRO 65 2HD PRO 65 -14.704 -1.621 3.720 388 2HD PRO 65 1HD PRO 65 -14.406 -0.689 5.200 389 H GLN 66 HN GLN 66 -10.753 1.709 1.694 390 HA GLN 66 HA GLN 66 -12.039 1.627 -0.906 391 1HB GLN 66 2HB GLN 66 -11.358 3.941 0.673 392 2HB GLN 66 1HB GLN 66 -10.431 3.931 -0.808 393 1HG GLN 66 2HG GLN 66 -12.595 3.612 -2.032 394 2HG GLN 66 1HG GLN 66 -13.403 3.918 -0.495 395 1HE2 GLN 66 1HE2 GLN 66 -10.628 5.383 -2.158 396 2HE2 GLN 66 2HE2 GLN 66 -11.221 7.004 -2.083 397 H GLU 67 HN GLU 67 -10.178 2.053 -2.653 398 HA GLU 67 HA GLU 67 -7.697 0.905 -1.615 399 1HB GLU 67 2HB GLU 67 -8.373 -0.124 -4.268 400 2HB GLU 67 1HB GLU 67 -7.695 -0.944 -2.885 401 1HG GLU 67 2HG GLU 67 -9.703 -2.034 -3.177 402 2HG GLU 67 1HG GLU 67 -10.101 -0.843 -1.939 403 H GLY 68 HN GLY 68 -5.853 1.290 -2.792 404 1HA GLY 68 2HA GLY 68 -6.101 3.306 -4.945 405 2HA GLY 68 1HA GLY 68 -5.084 3.635 -3.558 406 H LEU 69 HN LEU 69 -4.034 3.766 -6.034 407 HA LEU 69 HA LEU 69 -2.063 1.646 -5.944 408 1HB LEU 69 2HB LEU 69 -3.987 2.065 -8.150 409 2HB LEU 69 1HB LEU 69 -2.324 1.739 -8.606 410 HG LEU 69 HG LEU 69 -2.559 -0.224 -6.899 411 1HD1 LEU 69 1HD1 LEU 69 -4.589 -0.722 -6.139 412 2HD1 LEU 69 2HD1 LEU 69 -5.276 -0.662 -7.761 413 3HD1 LEU 69 3HD1 LEU 69 -5.154 0.810 -6.800 414 1HD2 LEU 69 1HD2 LEU 69 -3.111 -1.692 -8.716 415 2HD2 LEU 69 2HD2 LEU 69 -2.120 -0.369 -9.330 416 3HD2 LEU 69 3HD2 LEU 69 -3.861 -0.369 -9.609 417 H VAL 70 HN VAL 70 -0.095 2.319 -6.306 418 HA VAL 70 HA VAL 70 0.558 4.532 -8.008 419 HB VAL 70 HB VAL 70 1.908 5.548 -5.939 420 1HG1 VAL 70 1HG1 VAL 70 -0.897 6.470 -6.016 421 2HG1 VAL 70 2HG1 VAL 70 -0.025 6.439 -7.549 422 3HG1 VAL 70 3HG1 VAL 70 0.606 7.376 -6.194 423 1HG2 VAL 70 1HG2 VAL 70 1.109 5.202 -3.873 424 2HG2 VAL 70 2HG2 VAL 70 0.369 3.758 -4.560 425 3HG2 VAL 70 3HG2 VAL 70 -0.570 5.241 -4.410 426 HA PRO 71 HA PRO 71 4.252 2.210 -7.797 427 1HB PRO 71 2HB PRO 71 6.246 3.914 -8.380 428 2HB PRO 71 1HB PRO 71 5.050 3.378 -9.565 429 1HG PRO 71 2HG PRO 71 5.319 5.999 -8.237 430 2HG PRO 71 1HG PRO 71 4.503 5.589 -9.753 431 1HD PRO 71 2HD PRO 71 3.326 6.007 -7.174 432 2HD PRO 71 1HD PRO 71 2.511 5.568 -8.677 433 H SER 72 HN SER 72 6.049 1.616 -6.603 434 HA SER 72 HA SER 72 6.020 2.005 -3.910 435 1HB SER 72 2HB SER 72 7.248 0.189 -5.068 436 2HB SER 72 1HB SER 72 8.482 1.355 -5.546 437 HG SER 72 HG SER 72 8.471 -0.024 -3.369 438 H SER 73 HN SER 73 7.470 4.053 -6.323 439 HA SER 73 HA SER 73 9.312 5.456 -4.756 440 1HB SER 73 2HB SER 73 8.612 5.561 -7.362 441 2HB SER 73 1HB SER 73 7.791 7.006 -6.777 442 HG SER 73 HG SER 73 10.533 6.418 -6.347 443 H THR 74 HN THR 74 5.814 5.757 -5.087 444 HA THR 74 HA THR 74 5.794 8.067 -3.285 445 HB THR 74 HB THR 74 3.749 8.583 -4.146 446 HG1 THR 74 1HG THR 74 3.350 5.836 -4.585 447 1HG2 THR 74 1HG2 THR 74 5.254 8.541 -6.036 448 2HG2 THR 74 2HG2 THR 74 3.604 8.140 -6.508 449 3HG2 THR 74 3HG2 THR 74 4.813 6.869 -6.339 450 H LEU 75 HN LEU 75 5.812 4.796 -3.002 451 HA LEU 75 HA LEU 75 4.157 4.817 -0.609 452 1HB LEU 75 2HB LEU 75 4.680 2.573 -2.555 453 2HB LEU 75 1HB LEU 75 3.813 2.399 -1.045 454 HG LEU 75 HG LEU 75 2.586 4.511 -2.504 455 1HD1 LEU 75 1HD1 LEU 75 3.635 2.438 -4.229 456 2HD1 LEU 75 2HD1 LEU 75 2.816 3.940 -4.646 457 3HD1 LEU 75 3HD1 LEU 75 1.876 2.496 -4.296 458 1HD2 LEU 75 1HD2 LEU 75 0.753 2.586 -2.605 459 2HD2 LEU 75 2HD2 LEU 75 1.143 3.436 -1.111 460 3HD2 LEU 75 3HD2 LEU 75 1.837 1.847 -1.426 461 H CYS 76 HN CYS 76 4.882 2.707 0.657 462 HA CYS 76 HA CYS 76 7.424 3.255 1.715 463 1HB CYS 76 2HB CYS 76 5.571 2.081 2.928 464 2HB CYS 76 1HB CYS 76 5.924 0.645 1.976 465 HG CYS 76 HG CYS 76 8.266 0.544 3.164 466 H ILE 77 HN ILE 77 9.394 2.741 1.033 467 HA ILE 77 HA ILE 77 9.659 0.714 -1.069 468 HB ILE 77 HB ILE 77 11.780 1.743 -1.639 469 1HG1 ILE 77 2HG1 ILE 77 12.046 4.115 -0.378 470 2HG1 ILE 77 1HG1 ILE 77 11.345 3.171 0.930 471 1HG2 ILE 77 1HG2 ILE 77 9.409 3.554 -1.375 472 2HG2 ILE 77 2HG2 ILE 77 9.994 2.694 -2.799 473 3HG2 ILE 77 3HG2 ILE 77 10.891 4.079 -2.174 474 1HD1 ILE 77 1HD1 ILE 77 13.145 1.572 0.787 475 2HD1 ILE 77 2HD1 ILE 77 13.797 3.199 0.973 476 3HD1 ILE 77 3HD1 ILE 77 13.817 2.417 -0.606 477 H SER 78 HN SER 78 10.812 1.646 2.072 478 HA SER 78 HA SER 78 12.673 -0.585 2.216 479 1HB SER 78 2HB SER 78 13.153 1.721 3.185 480 2HB SER 78 1HB SER 78 11.976 1.334 4.441 481 HG SER 78 HG SER 78 14.191 0.832 4.985 482 H HIS 79 HN HIS 79 11.717 -2.510 2.478 483 HA HIS 79 HA HIS 79 9.353 -2.786 4.138 484 1HB HIS 79 2HB HIS 79 10.925 -4.905 2.658 485 2HB HIS 79 1HB HIS 79 9.333 -5.106 3.383 486 HD1 HIS 79 1HD HIS 79 7.357 -4.528 1.957 487 HD2 HIS 79 2HD HIS 79 10.930 -3.123 0.367 488 HE1 HIS 79 1HE HIS 79 6.777 -3.654 -0.328 489 HE2 HIS 79 2HE HIS 79 8.938 -2.732 -1.237 490 H SER 80 HN SER 80 9.230 -3.864 6.073 491 HA SER 80 HA SER 80 11.665 -4.015 7.599 492 1HB SER 80 2HB SER 80 8.829 -4.736 8.377 493 2HB SER 80 1HB SER 80 10.192 -4.579 9.485 494 HG SER 80 HG SER 80 9.676 -2.552 9.569 Start of MODEL 17 1 H SER 14 HN SER 14 -0.373 -12.890 -4.683 2 HA SER 14 HA SER 14 0.009 -14.590 -2.314 3 1HB SER 14 2HB SER 14 0.286 -11.593 -2.328 4 2HB SER 14 1HB SER 14 0.984 -12.759 -1.204 5 HG SER 14 HG SER 14 2.671 -12.645 -2.441 6 H GLY 15 HN GLY 15 -0.950 -13.100 -0.310 7 1HA GLY 15 2HA GLY 15 -3.532 -11.983 -0.866 8 2HA GLY 15 1HA GLY 15 -3.639 -13.606 -0.203 9 H GLY 16 HN GLY 16 -2.363 -10.364 0.414 10 1HA GLY 16 2HA GLY 16 -3.163 -10.508 3.163 11 2HA GLY 16 1HA GLY 16 -1.420 -10.614 2.974 12 H CYS 17 HN CYS 17 -2.158 -8.569 4.411 13 HA CYS 17 HA CYS 17 -1.827 -6.272 2.629 14 1HB CYS 17 2HB CYS 17 -3.238 -4.985 4.365 15 2HB CYS 17 1HB CYS 17 -4.079 -5.998 3.201 16 HG CYS 17 HG CYS 17 -3.937 -7.777 5.403 17 H GLU 18 HN GLU 18 -0.365 -4.805 3.295 18 HA GLU 18 HA GLU 18 0.805 -5.159 5.974 19 1HB GLU 18 2HB GLU 18 2.316 -6.162 4.350 20 2HB GLU 18 1HB GLU 18 2.311 -4.689 3.395 21 1HG GLU 18 2HG GLU 18 4.345 -4.963 4.749 22 2HG GLU 18 1HG GLU 18 3.450 -3.495 5.139 23 H LEU 19 HN LEU 19 1.587 -3.288 6.952 24 HA LEU 19 HA LEU 19 0.228 -0.898 6.112 25 1HB LEU 19 2HB LEU 19 2.245 -0.659 8.240 26 2HB LEU 19 1HB LEU 19 0.625 -0.014 8.152 27 HG LEU 19 HG LEU 19 1.428 -2.800 8.950 28 1HD1 LEU 19 1HD1 LEU 19 0.243 -2.178 11.034 29 2HD1 LEU 19 2HD1 LEU 19 0.057 -0.544 10.396 30 3HD1 LEU 19 3HD1 LEU 19 1.667 -1.189 10.715 31 1HD2 LEU 19 1HD2 LEU 19 -0.502 -3.362 7.893 32 2HD2 LEU 19 2HD2 LEU 19 -1.160 -1.729 7.993 33 3HD2 LEU 19 3HD2 LEU 19 -1.201 -2.783 9.405 34 H THR 20 HN THR 20 0.967 0.736 5.026 35 HA THR 20 HA THR 20 3.840 1.138 4.696 36 HB THR 20 HB THR 20 3.118 -0.229 2.782 37 HG1 THR 20 1HG THR 20 4.712 1.071 2.164 38 1HG2 THR 20 1HG2 THR 20 1.708 0.938 1.033 39 2HG2 THR 20 2HG2 THR 20 1.165 1.998 2.334 40 3HG2 THR 20 3HG2 THR 20 0.860 0.263 2.423 41 H VAL 21 HN VAL 21 4.412 3.258 4.005 42 HA VAL 21 HA VAL 21 2.288 5.248 4.412 43 HB VAL 21 HB VAL 21 4.215 6.764 5.114 44 1HG1 VAL 21 1HG1 VAL 21 3.612 6.418 7.249 45 2HG1 VAL 21 2HG1 VAL 21 4.051 4.710 7.201 46 3HG1 VAL 21 3HG1 VAL 21 2.500 5.240 6.553 47 1HG2 VAL 21 1HG2 VAL 21 6.098 5.491 4.393 48 2HG2 VAL 21 2HG2 VAL 21 5.590 4.097 5.348 49 3HG2 VAL 21 3HG2 VAL 21 6.141 5.565 6.153 50 H VAL 22 HN VAL 22 2.034 6.749 2.829 51 HA VAL 22 HA VAL 22 3.454 6.344 0.410 52 HB VAL 22 HB VAL 22 2.166 8.566 -0.194 53 1HG1 VAL 22 1HG1 VAL 22 1.396 6.948 -1.497 54 2HG1 VAL 22 2HG1 VAL 22 0.088 6.802 -0.324 55 3HG1 VAL 22 3HG1 VAL 22 1.497 5.746 -0.211 56 1HG2 VAL 22 1HG2 VAL 22 0.208 9.011 0.988 57 2HG2 VAL 22 2HG2 VAL 22 1.441 8.818 2.236 58 3HG2 VAL 22 3HG2 VAL 22 0.315 7.504 1.898 59 H LEU 23 HN LEU 23 5.157 7.342 -0.369 60 HA LEU 23 HA LEU 23 6.536 9.221 1.267 61 1HB LEU 23 2HB LEU 23 7.441 8.602 -1.504 62 2HB LEU 23 1HB LEU 23 8.395 8.861 -0.057 63 HG LEU 23 HG LEU 23 6.857 6.371 -0.793 64 1HD1 LEU 23 1HD1 LEU 23 9.238 7.049 -1.717 65 2HD1 LEU 23 2HD1 LEU 23 8.860 5.389 -1.257 66 3HD1 LEU 23 3HD1 LEU 23 9.755 6.429 -0.150 67 1HD2 LEU 23 1HD2 LEU 23 8.014 7.284 1.791 68 2HD2 LEU 23 2HD2 LEU 23 8.168 5.582 1.354 69 3HD2 LEU 23 3HD2 LEU 23 6.571 6.321 1.475 70 H GLN 24 HN GLN 24 4.435 9.413 -1.475 71 HA GLN 24 HA GLN 24 4.741 12.300 -1.450 72 1HB GLN 24 2HB GLN 24 5.118 12.484 -3.757 73 2HB GLN 24 1HB GLN 24 6.188 11.215 -3.215 74 1HG GLN 24 2HG GLN 24 5.114 9.610 -4.341 75 2HG GLN 24 1HG GLN 24 3.554 10.419 -4.291 76 1HE2 GLN 24 1HE2 GLN 24 6.548 10.068 -5.969 77 2HE2 GLN 24 2HE2 GLN 24 6.123 10.996 -7.363 78 H ASP 25 HN ASP 25 2.868 13.432 -2.157 79 HA ASP 25 HA ASP 25 0.425 12.067 -1.635 80 1HB ASP 25 2HB ASP 25 -0.011 14.541 -3.103 81 2HB ASP 25 1HB ASP 25 -0.513 14.099 -1.492 82 H PHE 26 HN PHE 26 -1.231 11.586 -3.025 83 HA PHE 26 HA PHE 26 -0.762 11.732 -5.891 84 1HB PHE 26 2HB PHE 26 0.148 9.546 -5.074 85 2HB PHE 26 1HB PHE 26 -1.474 9.115 -4.580 86 HD1 PHE 26 1HD PHE 26 0.470 10.186 -7.558 87 HD2 PHE 26 2HD PHE 26 -2.915 8.081 -6.066 88 HE1 PHE 26 1HE PHE 26 -0.008 9.359 -9.824 89 HE2 PHE 26 2HE PHE 26 -3.398 7.250 -8.330 90 HZ PHE 26 HZ PHE 26 -1.944 7.888 -10.214 91 H SER 27 HN SER 27 -2.642 11.434 -7.143 92 HA SER 27 HA SER 27 -5.139 11.491 -5.633 93 1HB SER 27 2HB SER 27 -5.756 12.901 -7.819 94 2HB SER 27 1HB SER 27 -5.104 13.654 -6.375 95 HG SER 27 HG SER 27 -3.334 14.109 -7.423 96 H ALA 28 HN ALA 28 -6.697 10.194 -6.433 97 HA ALA 28 HA ALA 28 -6.143 7.988 -7.876 98 1HB ALA 28 1HB ALA 28 -8.201 8.655 -6.466 99 2HB ALA 28 2HB ALA 28 -8.370 7.458 -7.746 100 3HB ALA 28 3HB ALA 28 -8.885 9.118 -8.018 101 H ALA 29 HN ALA 29 -7.748 7.388 -9.791 102 HA ALA 29 HA ALA 29 -8.298 9.051 -11.906 103 1HB ALA 29 1HB ALA 29 -6.148 9.760 -12.341 104 2HB ALA 29 2HB ALA 29 -6.254 8.348 -13.392 105 3HB ALA 29 3HB ALA 29 -5.426 8.231 -11.838 106 H HIS 30 HN HIS 30 -7.117 5.937 -10.819 107 HA HIS 30 HA HIS 30 -8.481 4.639 -13.060 108 1HB HIS 30 2HB HIS 30 -5.966 4.184 -12.040 109 2HB HIS 30 1HB HIS 30 -6.916 2.897 -11.306 110 HD1 HIS 30 1HD HIS 30 -7.082 0.855 -12.682 111 HD2 HIS 30 2HD HIS 30 -6.425 4.232 -15.012 112 HE1 HIS 30 1HE HIS 30 -6.859 0.011 -15.041 113 HE2 HIS 30 2HE HIS 30 -6.544 2.081 -16.442 114 H SER 31 HN SER 31 -9.220 2.339 -12.345 115 HA SER 31 HA SER 31 -11.604 2.500 -11.067 116 1HB SER 31 2HB SER 31 -9.726 0.228 -11.540 117 2HB SER 31 1HB SER 31 -11.153 -0.045 -10.540 118 HG SER 31 HG SER 31 -11.243 -0.317 -12.982 119 H SER 32 HN SER 32 -8.926 0.794 -9.466 120 HA SER 32 HA SER 32 -10.134 1.437 -6.901 121 1HB SER 32 2HB SER 32 -8.822 -0.809 -7.906 122 2HB SER 32 1HB SER 32 -7.682 -0.120 -6.753 123 HG SER 32 HG SER 32 -10.327 -1.003 -6.312 124 H GLU 33 HN GLU 33 -9.074 3.723 -8.098 125 HA GLU 33 HA GLU 33 -6.556 4.173 -6.686 126 1HB GLU 33 2HB GLU 33 -7.843 5.311 -9.104 127 2HB GLU 33 1HB GLU 33 -6.799 6.349 -8.166 128 1HG GLU 33 2HG GLU 33 -5.269 4.188 -8.314 129 2HG GLU 33 1HG GLU 33 -6.166 4.041 -9.817 130 H LEU 34 HN LEU 34 -6.287 6.096 -5.456 131 HA LEU 34 HA LEU 34 -8.592 7.717 -4.875 132 1HB LEU 34 2HB LEU 34 -7.995 7.304 -2.342 133 2HB LEU 34 1HB LEU 34 -9.194 6.358 -3.197 134 HG LEU 34 HG LEU 34 -7.147 4.734 -3.630 135 1HD1 LEU 34 1HD1 LEU 34 -6.394 6.011 -1.013 136 2HD1 LEU 34 2HD1 LEU 34 -5.573 6.359 -2.535 137 3HD1 LEU 34 3HD1 LEU 34 -5.554 4.723 -1.874 138 1HD2 LEU 34 1HD2 LEU 34 -9.112 4.059 -2.464 139 2HD2 LEU 34 2HD2 LEU 34 -8.701 5.056 -1.070 140 3HD2 LEU 34 3HD2 LEU 34 -7.729 3.636 -1.455 141 H SER 35 HN SER 35 -7.972 9.490 -3.323 142 HA SER 35 HA SER 35 -5.365 10.444 -4.048 143 1HB SER 35 2HB SER 35 -6.301 12.494 -2.703 144 2HB SER 35 1HB SER 35 -6.850 12.181 -4.347 145 HG SER 35 HG SER 35 -8.274 12.227 -2.068 146 H ILE 36 HN ILE 36 -3.716 10.382 -2.824 147 HA ILE 36 HA ILE 36 -4.033 10.059 0.078 148 HB ILE 36 HB ILE 36 -1.747 8.819 -0.157 149 1HG1 ILE 36 2HG1 ILE 36 -1.710 9.341 -2.663 150 2HG1 ILE 36 1HG1 ILE 36 -1.314 7.701 -2.193 151 1HG2 ILE 36 1HG2 ILE 36 -3.064 7.231 0.651 152 2HG2 ILE 36 2HG2 ILE 36 -3.506 6.790 -0.996 153 3HG2 ILE 36 3HG2 ILE 36 -4.479 7.960 -0.106 154 1HD1 ILE 36 1HD1 ILE 36 -2.847 6.959 -3.595 155 2HD1 ILE 36 2HD1 ILE 36 -3.298 8.615 -3.999 156 3HD1 ILE 36 3HD1 ILE 36 -4.094 7.788 -2.664 157 H GLN 37 HN GLN 37 -2.040 10.693 1.264 158 HA GLN 37 HA GLN 37 -0.579 12.845 -0.040 159 1HB GLN 37 2HB GLN 37 -2.285 12.902 2.365 160 2HB GLN 37 1HB GLN 37 -0.778 13.785 2.459 161 1HG GLN 37 2HG GLN 37 -1.569 15.443 1.217 162 2HG GLN 37 1HG GLN 37 -2.137 14.324 -0.020 163 1HE2 GLN 37 1HE2 GLN 37 -3.045 14.821 3.372 164 2HE2 GLN 37 2HE2 GLN 37 -4.723 15.090 3.065 165 H VAL 38 HN VAL 38 1.474 13.236 0.666 166 HA VAL 38 HA VAL 38 3.013 11.045 1.500 167 HB VAL 38 HB VAL 38 3.957 12.888 0.220 168 1HG1 VAL 38 1HG1 VAL 38 3.915 15.060 0.797 169 2HG1 VAL 38 2HG1 VAL 38 4.185 14.721 2.507 170 3HG1 VAL 38 3HG1 VAL 38 2.570 14.550 1.818 171 1HG2 VAL 38 1HG2 VAL 38 5.370 11.492 1.827 172 2HG2 VAL 38 2HG2 VAL 38 5.377 12.916 2.867 173 3HG2 VAL 38 3HG2 VAL 38 6.066 13.004 1.246 174 H GLY 39 HN GLY 39 3.407 10.225 3.494 175 1HA GLY 39 2HA GLY 39 4.187 10.666 5.748 176 2HA GLY 39 1HA GLY 39 3.088 12.024 5.814 177 H GLN 40 HN GLN 40 0.944 10.291 4.572 178 HA GLN 40 HA GLN 40 -0.109 9.374 7.029 179 1HB GLN 40 2HB GLN 40 -2.091 8.971 5.862 180 2HB GLN 40 1HB GLN 40 -1.417 10.426 5.199 181 1HG GLN 40 2HG GLN 40 -0.490 9.090 3.368 182 2HG GLN 40 1HG GLN 40 -1.333 7.692 4.015 183 1HE2 GLN 40 1HE2 GLN 40 -3.139 7.259 2.996 184 2HE2 GLN 40 2HE2 GLN 40 -4.202 8.406 2.266 185 H THR 41 HN THR 41 -1.210 7.214 7.138 186 HA THR 41 HA THR 41 0.573 5.143 6.041 187 HB THR 41 HB THR 41 -0.639 5.278 8.798 188 HG1 THR 41 1HG THR 41 1.330 5.993 9.043 189 1HG2 THR 41 1HG2 THR 41 0.524 2.965 9.053 190 2HG2 THR 41 2HG2 THR 41 0.319 2.856 7.305 191 3HG2 THR 41 3HG2 THR 41 -1.092 3.037 8.346 192 H VAL 42 HN VAL 42 -0.336 3.752 4.804 193 HA VAL 42 HA VAL 42 -3.008 2.831 5.382 194 HB VAL 42 HB VAL 42 -2.352 4.466 3.031 195 1HG1 VAL 42 1HG1 VAL 42 -3.599 1.781 2.737 196 2HG1 VAL 42 2HG1 VAL 42 -2.366 2.526 1.749 197 3HG1 VAL 42 3HG1 VAL 42 -4.035 3.094 1.652 198 1HG2 VAL 42 1HG2 VAL 42 -4.763 3.692 4.609 199 2HG2 VAL 42 2HG2 VAL 42 -4.965 4.404 3.009 200 3HG2 VAL 42 3HG2 VAL 42 -4.113 5.295 4.270 201 H GLU 43 HN GLU 43 -3.281 0.755 4.913 202 HA GLU 43 HA GLU 43 -0.926 -0.779 4.580 203 1HB GLU 43 2HB GLU 43 -2.368 -2.707 4.948 204 2HB GLU 43 1HB GLU 43 -2.706 -1.445 6.125 205 1HG GLU 43 2HG GLU 43 -4.584 -0.717 4.570 206 2HG GLU 43 1HG GLU 43 -4.336 -2.251 3.737 207 H LEU 44 HN LEU 44 -0.170 -1.852 2.831 208 HA LEU 44 HA LEU 44 -1.363 -1.332 0.305 209 1HB LEU 44 2HB LEU 44 0.469 -2.762 -0.566 210 2HB LEU 44 1HB LEU 44 0.962 -1.343 0.301 211 HG LEU 44 HG LEU 44 0.948 -3.315 2.254 212 1HD1 LEU 44 1HD1 LEU 44 1.904 -5.261 1.446 213 2HD1 LEU 44 2HD1 LEU 44 2.362 -4.518 -0.086 214 3HD1 LEU 44 3HD1 LEU 44 0.669 -4.889 0.242 215 1HD2 LEU 44 1HD2 LEU 44 3.057 -2.626 2.554 216 2HD2 LEU 44 2HD2 LEU 44 2.696 -1.464 1.277 217 3HD2 LEU 44 3HD2 LEU 44 3.511 -2.979 0.887 218 H LEU 45 HN LEU 45 -2.131 -2.708 -1.142 219 HA LEU 45 HA LEU 45 -3.703 -4.871 -0.100 220 1HB LEU 45 2HB LEU 45 -3.372 -4.249 -3.017 221 2HB LEU 45 1HB LEU 45 -4.756 -4.935 -2.199 222 HG LEU 45 HG LEU 45 -3.879 -2.091 -1.701 223 1HD1 LEU 45 1HD1 LEU 45 -5.684 -1.463 -3.309 224 2HD1 LEU 45 2HD1 LEU 45 -5.728 -3.144 -3.834 225 3HD1 LEU 45 3HD1 LEU 45 -4.265 -2.189 -4.060 226 1HD2 LEU 45 1HD2 LEU 45 -6.494 -3.531 -1.345 227 2HD2 LEU 45 2HD2 LEU 45 -6.213 -1.817 -1.035 228 3HD2 LEU 45 3HD2 LEU 45 -5.387 -3.039 -0.066 229 H GLU 46 HN GLU 46 -1.120 -4.692 -2.591 230 HA GLU 46 HA GLU 46 -0.332 -7.375 -1.833 231 1HB GLU 46 2HB GLU 46 0.117 -7.600 -4.452 232 2HB GLU 46 1HB GLU 46 -1.389 -8.110 -3.717 233 1HG GLU 46 2HG GLU 46 -2.369 -5.930 -4.348 234 2HG GLU 46 1HG GLU 46 -0.862 -5.530 -5.170 235 H ARG 47 HN ARG 47 1.727 -7.788 -3.421 236 HA ARG 47 HA ARG 47 3.533 -5.530 -2.883 237 1HB ARG 47 2HB ARG 47 3.754 -8.441 -2.485 238 2HB ARG 47 1HB ARG 47 5.197 -7.663 -3.115 239 1HG ARG 47 2HG ARG 47 5.070 -6.057 -1.207 240 2HG ARG 47 1HG ARG 47 3.757 -7.036 -0.548 241 1HD ARG 47 2HD ARG 47 6.361 -8.311 -1.275 242 2HD ARG 47 1HD ARG 47 6.203 -7.439 0.248 243 HE ARG 47 HE ARG 47 4.079 -9.286 -0.081 244 1HH1 ARG 47 1HH1 ARG 47 7.479 -9.124 0.730 245 2HH1 ARG 47 2HH1 ARG 47 7.443 -10.571 1.680 246 1HH2 ARG 47 1HH2 ARG 47 4.042 -11.185 1.168 247 2HH2 ARG 47 2HH2 ARG 47 5.497 -11.740 1.928 248 HA PRO 48 HA PRO 48 4.822 -5.441 -7.117 249 1HB PRO 48 2HB PRO 48 7.461 -5.006 -7.024 250 2HB PRO 48 1HB PRO 48 6.295 -3.793 -6.486 251 1HG PRO 48 2HG PRO 48 7.922 -5.708 -4.860 252 2HG PRO 48 1HG PRO 48 7.590 -3.991 -4.563 253 1HD PRO 48 2HD PRO 48 6.250 -6.022 -3.325 254 2HD PRO 48 1HD PRO 48 5.543 -4.425 -3.624 255 H SER 49 HN SER 49 4.373 -8.045 -6.597 256 HA SER 49 HA SER 49 6.724 -9.619 -7.159 257 1HB SER 49 2HB SER 49 4.705 -10.314 -5.689 258 2HB SER 49 1HB SER 49 3.925 -10.682 -7.226 259 HG SER 49 HG SER 49 5.346 -12.274 -7.590 260 H GLU 50 HN GLU 50 3.729 -8.783 -8.724 261 HA GLU 50 HA GLU 50 4.498 -9.948 -11.234 262 1HB GLU 50 2HB GLU 50 2.301 -9.350 -11.933 263 2HB GLU 50 1HB GLU 50 2.183 -10.002 -10.317 264 1HG GLU 50 2HG GLU 50 2.149 -7.693 -9.451 265 2HG GLU 50 1HG GLU 50 2.082 -7.121 -11.115 266 H ARG 51 HN ARG 51 4.111 -6.836 -9.736 267 HA ARG 51 HA ARG 51 5.354 -5.542 -12.073 268 1HB ARG 51 2HB ARG 51 3.056 -4.793 -11.755 269 2HB ARG 51 1HB ARG 51 3.395 -4.397 -10.080 270 1HG ARG 51 2HG ARG 51 4.775 -2.585 -10.683 271 2HG ARG 51 1HG ARG 51 4.823 -3.094 -12.373 272 1HD ARG 51 2HD ARG 51 2.199 -2.823 -12.141 273 2HD ARG 51 1HD ARG 51 2.674 -1.705 -10.863 274 HE ARG 51 HE ARG 51 4.083 -1.255 -13.315 275 1HH1 ARG 51 1HH1 ARG 51 1.103 -0.589 -11.607 276 2HH1 ARG 51 2HH1 ARG 51 0.780 0.864 -12.492 277 1HH2 ARG 51 1HH2 ARG 51 3.651 0.653 -14.472 278 2HH2 ARG 51 2HH2 ARG 51 2.223 1.568 -14.116 279 HA PRO 52 HA PRO 52 8.363 -4.623 -8.850 280 1HB PRO 52 2HB PRO 52 10.493 -4.277 -10.433 281 2HB PRO 52 1HB PRO 52 9.800 -5.881 -10.164 282 1HG PRO 52 2HG PRO 52 9.646 -4.135 -12.550 283 2HG PRO 52 1HG PRO 52 9.572 -5.900 -12.439 284 1HD PRO 52 2HD PRO 52 7.390 -4.069 -12.669 285 2HD PRO 52 1HD PRO 52 7.309 -5.829 -12.465 286 H GLY 53 HN GLY 53 8.063 -2.708 -7.920 287 1HA GLY 53 2HA GLY 53 9.113 -0.489 -7.818 288 2HA GLY 53 1HA GLY 53 8.691 -0.302 -9.507 289 H TRP 54 HN TRP 54 6.128 -1.810 -8.260 290 HA TRP 54 HA TRP 54 4.739 0.661 -7.733 291 1HB TRP 54 2HB TRP 54 2.925 -0.163 -8.832 292 2HB TRP 54 1HB TRP 54 4.209 -0.958 -9.699 293 HD1 TRP 54 1HD TRP 54 4.704 -3.331 -7.571 294 HE1 TRP 54 1HE TRP 54 2.938 -5.215 -7.387 295 HE3 TRP 54 3HE TRP 54 0.756 -0.871 -9.567 296 HZ2 TRP 54 2HZ TRP 54 0.202 -5.582 -8.034 297 HZ3 TRP 54 3HZ TRP 54 -1.416 -2.033 -9.770 298 HH2 TRP 54 2HH TRP 54 -1.683 -4.340 -9.010 299 H CYS 55 HN CYS 55 2.810 0.561 -6.315 300 HA CYS 55 HA CYS 55 2.684 -1.550 -4.378 301 1HB CYS 55 2HB CYS 55 4.056 0.946 -3.773 302 2HB CYS 55 1HB CYS 55 2.812 0.539 -2.625 303 HG CYS 55 HG CYS 55 4.610 -0.796 -1.611 304 H LEU 56 HN LEU 56 0.849 -1.371 -3.024 305 HA LEU 56 HA LEU 56 -1.224 0.385 -4.128 306 1HB LEU 56 2HB LEU 56 -1.237 -2.416 -3.106 307 2HB LEU 56 1HB LEU 56 -2.701 -1.472 -3.129 308 HG LEU 56 HG LEU 56 -2.820 -1.436 -5.449 309 1HD1 LEU 56 1HD1 LEU 56 -0.675 -0.632 -6.078 310 2HD1 LEU 56 2HD1 LEU 56 -0.870 -2.186 -6.889 311 3HD1 LEU 56 3HD1 LEU 56 0.130 -2.065 -5.441 312 1HD2 LEU 56 1HD2 LEU 56 -3.392 -3.597 -5.134 313 2HD2 LEU 56 2HD2 LEU 56 -1.891 -3.979 -4.293 314 3HD2 LEU 56 3HD2 LEU 56 -1.916 -3.888 -6.053 315 H VAL 57 HN VAL 57 -2.968 1.026 -2.661 316 HA VAL 57 HA VAL 57 -2.182 1.066 0.165 317 HB VAL 57 HB VAL 57 -3.101 3.552 0.051 318 1HG1 VAL 57 1HG1 VAL 57 -1.035 3.686 0.877 319 2HG1 VAL 57 2HG1 VAL 57 -0.507 3.999 -0.773 320 3HG1 VAL 57 3HG1 VAL 57 -0.462 2.358 -0.131 321 1HG2 VAL 57 1HG2 VAL 57 -2.211 4.671 -2.004 322 2HG2 VAL 57 2HG2 VAL 57 -3.675 3.717 -2.225 323 3HG2 VAL 57 3HG2 VAL 57 -2.118 3.072 -2.741 324 H ARG 58 HN ARG 58 -3.847 0.491 1.470 325 HA ARG 58 HA ARG 58 -6.565 0.532 0.390 326 1HB ARG 58 2HB ARG 58 -6.104 -1.629 1.128 327 2HB ARG 58 1HB ARG 58 -5.169 -1.065 2.488 328 1HG ARG 58 2HG ARG 58 -7.177 -2.094 3.291 329 2HG ARG 58 1HG ARG 58 -7.254 -0.361 3.608 330 1HD ARG 58 2HD ARG 58 -9.300 -1.667 2.591 331 2HD ARG 58 1HD ARG 58 -8.934 -0.025 2.104 332 HE ARG 58 HE ARG 58 -7.892 -0.908 0.109 333 1HH1 ARG 58 1HH1 ARG 58 -9.975 -3.165 1.865 334 2HH1 ARG 58 2HH1 ARG 58 -10.150 -4.220 0.512 335 1HH2 ARG 58 1HH2 ARG 58 -8.147 -2.363 -1.630 336 2HH2 ARG 58 2HH2 ARG 58 -9.131 -3.772 -1.448 337 H THR 59 HN THR 59 -8.257 1.655 1.429 338 HA THR 59 HA THR 59 -7.386 3.558 3.463 339 HB THR 59 HB THR 59 -9.571 3.465 1.441 340 HG1 THR 59 1HG THR 59 -7.467 4.351 0.984 341 1HG2 THR 59 1HG2 THR 59 -10.104 5.845 2.364 342 2HG2 THR 59 2HG2 THR 59 -9.570 5.134 3.887 343 3HG2 THR 59 3HG2 THR 59 -10.919 4.420 3.004 344 H THR 60 HN THR 60 -8.001 3.319 5.511 345 HA THR 60 HA THR 60 -10.229 1.478 6.081 346 HB THR 60 HB THR 60 -8.220 0.435 6.815 347 HG1 THR 60 1HG THR 60 -9.318 1.690 9.104 348 1HG2 THR 60 1HG2 THR 60 -7.534 2.997 8.230 349 2HG2 THR 60 2HG2 THR 60 -6.692 2.296 6.846 350 3HG2 THR 60 3HG2 THR 60 -6.670 1.469 8.404 351 H GLU 61 HN GLU 61 -9.106 4.687 6.419 352 HA GLU 61 HA GLU 61 -10.653 5.211 8.808 353 1HB GLU 61 2HB GLU 61 -8.448 6.335 8.315 354 2HB GLU 61 1HB GLU 61 -9.271 7.225 7.042 355 1HG GLU 61 2HG GLU 61 -10.474 8.500 8.516 356 2HG GLU 61 1HG GLU 61 -10.389 7.294 9.797 357 H ARG 62 HN ARG 62 -11.716 4.502 5.960 358 HA ARG 62 HA ARG 62 -13.982 6.282 6.103 359 1HB ARG 62 2HB ARG 62 -12.816 7.442 4.446 360 2HB ARG 62 1HB ARG 62 -12.077 5.988 3.803 361 1HG ARG 62 2HG ARG 62 -13.734 5.625 2.364 362 2HG ARG 62 1HG ARG 62 -14.980 6.055 3.535 363 1HD ARG 62 2HD ARG 62 -13.819 8.473 3.054 364 2HD ARG 62 1HD ARG 62 -13.670 7.694 1.481 365 HE ARG 62 HE ARG 62 -16.268 7.271 2.262 366 1HH1 ARG 62 1HH1 ARG 62 -14.253 10.075 1.699 367 2HH1 ARG 62 2HH1 ARG 62 -15.578 11.080 1.221 368 1HH2 ARG 62 1HH2 ARG 62 -18.003 8.599 1.631 369 2HH2 ARG 62 2HH2 ARG 62 -17.704 10.244 1.181 370 H SER 63 HN SER 63 -15.277 4.616 6.768 371 HA SER 63 HA SER 63 -15.194 2.047 5.465 372 1HB SER 63 2HB SER 63 -16.829 3.197 7.714 373 2HB SER 63 1HB SER 63 -17.208 1.621 7.020 374 HG SER 63 HG SER 63 -15.435 2.136 8.865 375 HA PRO 64 HA PRO 64 -16.231 0.342 4.613 376 1HB PRO 64 2HB PRO 64 -16.453 -0.520 2.067 377 2HB PRO 64 1HB PRO 64 -17.789 -0.633 3.219 378 1HG PRO 64 2HG PRO 64 -17.303 1.402 1.076 379 2HG PRO 64 1HG PRO 64 -18.809 0.579 1.518 380 1HD PRO 64 2HD PRO 64 -18.217 3.104 2.322 381 2HD PRO 64 1HD PRO 64 -19.218 1.996 3.280 382 HA PRO 65 HA PRO 65 -12.047 1.345 3.482 383 1HB PRO 65 2HB PRO 65 -12.017 -1.332 2.169 384 2HB PRO 65 1HB PRO 65 -10.852 -0.608 3.285 385 1HG PRO 65 2HG PRO 65 -12.599 -2.450 4.124 386 2HG PRO 65 1HG PRO 65 -12.136 -1.081 5.149 387 1HD PRO 65 2HD PRO 65 -14.674 -1.584 3.698 388 2HD PRO 65 1HD PRO 65 -14.384 -0.657 5.184 389 H GLN 66 HN GLN 66 -10.699 1.734 1.709 390 HA GLN 66 HA GLN 66 -11.960 1.661 -0.902 391 1HB GLN 66 2HB GLN 66 -11.301 3.967 0.693 392 2HB GLN 66 1HB GLN 66 -10.348 3.964 -0.769 393 1HG GLN 66 2HG GLN 66 -12.441 3.712 -2.065 394 2HG GLN 66 1HG GLN 66 -13.330 3.884 -0.553 395 1HE2 GLN 66 1HE2 GLN 66 -10.522 5.565 -1.931 396 2HE2 GLN 66 2HE2 GLN 66 -11.190 7.151 -1.797 397 H GLU 67 HN GLU 67 -10.087 2.089 -2.628 398 HA GLU 67 HA GLU 67 -7.603 0.968 -1.575 399 1HB GLU 67 2HB GLU 67 -8.241 -0.117 -4.208 400 2HB GLU 67 1HB GLU 67 -7.603 -0.912 -2.790 401 1HG GLU 67 2HG GLU 67 -9.874 -1.073 -1.872 402 2HG GLU 67 1HG GLU 67 -10.501 -0.299 -3.324 403 H GLY 68 HN GLY 68 -5.761 1.366 -2.760 404 1HA GLY 68 2HA GLY 68 -6.046 3.314 -4.967 405 2HA GLY 68 1HA GLY 68 -5.076 3.737 -3.577 406 H LEU 69 HN LEU 69 -4.247 3.583 -6.310 407 HA LEU 69 HA LEU 69 -2.124 1.589 -6.013 408 1HB LEU 69 2HB LEU 69 -4.034 1.926 -8.247 409 2HB LEU 69 1HB LEU 69 -2.365 1.593 -8.678 410 HG LEU 69 HG LEU 69 -2.506 -0.371 -7.067 411 1HD1 LEU 69 1HD1 LEU 69 -5.291 0.610 -7.032 412 2HD1 LEU 69 2HD1 LEU 69 -4.374 -0.252 -5.798 413 3HD1 LEU 69 3HD1 LEU 69 -5.071 -1.136 -7.154 414 1HD2 LEU 69 1HD2 LEU 69 -4.345 -0.610 -9.425 415 2HD2 LEU 69 2HD2 LEU 69 -3.227 -1.806 -8.770 416 3HD2 LEU 69 3HD2 LEU 69 -2.605 -0.390 -9.617 417 H VAL 70 HN VAL 70 -0.152 2.270 -6.397 418 HA VAL 70 HA VAL 70 0.467 4.459 -8.148 419 HB VAL 70 HB VAL 70 1.813 5.499 -6.060 420 1HG1 VAL 70 1HG1 VAL 70 0.733 7.146 -7.110 421 2HG1 VAL 70 2HG1 VAL 70 -0.502 6.929 -5.870 422 3HG1 VAL 70 3HG1 VAL 70 -0.679 6.143 -7.438 423 1HG2 VAL 70 1HG2 VAL 70 0.265 3.766 -4.675 424 2HG2 VAL 70 2HG2 VAL 70 -0.752 5.206 -4.646 425 3HG2 VAL 70 3HG2 VAL 70 0.893 5.276 -4.015 426 HA PRO 71 HA PRO 71 4.211 2.210 -7.890 427 1HB PRO 71 2HB PRO 71 6.156 3.961 -8.529 428 2HB PRO 71 1HB PRO 71 4.972 3.351 -9.688 429 1HG PRO 71 2HG PRO 71 5.191 6.024 -8.497 430 2HG PRO 71 1HG PRO 71 4.291 5.509 -9.930 431 1HD PRO 71 2HD PRO 71 3.305 5.974 -7.254 432 2HD PRO 71 1HD PRO 71 2.385 5.578 -8.707 433 H SER 72 HN SER 72 6.107 1.715 -6.763 434 HA SER 72 HA SER 72 6.147 2.026 -4.076 435 1HB SER 72 2HB SER 72 7.525 0.341 -4.907 436 2HB SER 72 1HB SER 72 8.308 1.412 -6.065 437 HG SER 72 HG SER 72 9.610 2.164 -4.524 438 H SER 73 HN SER 73 7.401 4.277 -6.434 439 HA SER 73 HA SER 73 9.134 5.767 -4.832 440 1HB SER 73 2HB SER 73 8.381 5.920 -7.421 441 2HB SER 73 1HB SER 73 7.470 7.280 -6.765 442 HG SER 73 HG SER 73 9.262 8.353 -6.626 443 H THR 74 HN THR 74 5.638 5.727 -5.009 444 HA THR 74 HA THR 74 5.471 7.985 -3.143 445 HB THR 74 HB THR 74 3.422 8.445 -4.023 446 HG1 THR 74 1HG THR 74 2.315 6.601 -3.559 447 1HG2 THR 74 1HG2 THR 74 4.649 6.878 -6.245 448 2HG2 THR 74 2HG2 THR 74 4.893 8.582 -5.910 449 3HG2 THR 74 3HG2 THR 74 3.309 8.004 -6.418 450 H LEU 75 HN LEU 75 5.786 4.757 -2.894 451 HA LEU 75 HA LEU 75 4.109 4.631 -0.515 452 1HB LEU 75 2HB LEU 75 4.443 2.437 -2.538 453 2HB LEU 75 1HB LEU 75 3.519 2.343 -1.065 454 HG LEU 75 HG LEU 75 2.447 4.536 -2.415 455 1HD1 LEU 75 1HD1 LEU 75 2.707 4.262 -4.597 456 2HD1 LEU 75 2HD1 LEU 75 1.929 2.686 -4.494 457 3HD1 LEU 75 3HD1 LEU 75 3.677 2.816 -4.325 458 1HD2 LEU 75 1HD2 LEU 75 1.372 2.654 -1.032 459 2HD2 LEU 75 2HD2 LEU 75 1.270 1.777 -2.559 460 3HD2 LEU 75 3HD2 LEU 75 0.447 3.324 -2.376 461 H CYS 76 HN CYS 76 5.115 3.836 1.187 462 HA CYS 76 HA CYS 76 7.871 3.463 1.309 463 1HB CYS 76 2HB CYS 76 6.194 3.896 3.223 464 2HB CYS 76 1HB CYS 76 5.999 2.149 3.266 465 HG CYS 76 HG CYS 76 8.643 3.625 3.968 466 H ILE 77 HN ILE 77 9.083 1.895 0.501 467 HA ILE 77 HA ILE 77 7.969 -0.831 0.392 468 HB ILE 77 HB ILE 77 9.242 -1.225 -1.655 469 1HG1 ILE 77 2HG1 ILE 77 9.797 1.664 -2.063 470 2HG1 ILE 77 1HG1 ILE 77 10.844 0.825 -0.926 471 1HG2 ILE 77 1HG2 ILE 77 7.778 1.279 -2.281 472 2HG2 ILE 77 2HG2 ILE 77 6.887 -0.010 -1.476 473 3HG2 ILE 77 3HG2 ILE 77 7.666 -0.314 -3.028 474 1HD1 ILE 77 1HD1 ILE 77 11.768 -0.499 -2.544 475 2HD1 ILE 77 2HD1 ILE 77 11.459 0.979 -3.455 476 3HD1 ILE 77 3HD1 ILE 77 10.356 -0.390 -3.595 477 H SER 78 HN SER 78 9.805 -2.493 0.078 478 HA SER 78 HA SER 78 12.131 -1.754 1.720 479 1HB SER 78 2HB SER 78 10.856 -4.464 1.978 480 2HB SER 78 1HB SER 78 11.928 -3.630 3.104 481 HG SER 78 HG SER 78 10.204 -2.159 3.502 482 H HIS 79 HN HIS 79 13.880 -1.988 0.503 483 HA HIS 79 HA HIS 79 13.901 -3.834 -1.731 484 1HB HIS 79 2HB HIS 79 15.593 -1.575 -0.805 485 2HB HIS 79 1HB HIS 79 16.391 -2.826 -1.753 486 HD1 HIS 79 1HD HIS 79 15.347 -3.250 -4.190 487 HD2 HIS 79 2HD HIS 79 14.141 0.226 -2.259 488 HE1 HIS 79 1HE HIS 79 14.359 -1.794 -5.985 489 HE2 HIS 79 2HE HIS 79 13.556 0.268 -4.779 490 H SER 80 HN SER 80 15.300 -5.574 -1.985 491 HA SER 80 HA SER 80 15.951 -6.983 0.406 492 1HB SER 80 2HB SER 80 16.868 -8.699 -1.140 493 2HB SER 80 1HB SER 80 15.235 -8.200 -1.577 494 HG SER 80 HG SER 80 16.085 -6.944 -3.219 Start of MODEL 18 1 H SER 14 HN SER 14 -10.622 -10.219 2.449 2 HA SER 14 HA SER 14 -8.835 -7.925 2.408 3 1HB SER 14 2HB SER 14 -10.786 -7.619 4.126 4 2HB SER 14 1HB SER 14 -9.873 -8.780 5.088 5 HG SER 14 HG SER 14 -9.413 -6.158 4.710 6 H GLY 15 HN GLY 15 -7.250 -9.346 1.666 7 1HA GLY 15 2HA GLY 15 -6.129 -11.064 3.763 8 2HA GLY 15 1HA GLY 15 -6.435 -11.768 2.183 9 H GLY 16 HN GLY 16 -3.956 -11.035 3.887 10 1HA GLY 16 2HA GLY 16 -1.779 -10.481 3.418 11 2HA GLY 16 1HA GLY 16 -2.213 -10.584 1.719 12 H CYS 17 HN CYS 17 -2.283 -8.445 4.532 13 HA CYS 17 HA CYS 17 -1.904 -6.178 2.725 14 1HB CYS 17 2HB CYS 17 -3.307 -4.845 4.438 15 2HB CYS 17 1HB CYS 17 -4.154 -5.851 3.271 16 HG CYS 17 HG CYS 17 -4.721 -7.516 5.136 17 H GLU 18 HN GLU 18 -0.414 -4.737 3.379 18 HA GLU 18 HA GLU 18 0.720 -5.071 6.076 19 1HB GLU 18 2HB GLU 18 2.218 -6.139 4.481 20 2HB GLU 18 1HB GLU 18 2.267 -4.677 3.510 21 1HG GLU 18 2HG GLU 18 3.696 -3.625 4.921 22 2HG GLU 18 1HG GLU 18 3.071 -4.450 6.347 23 H LEU 19 HN LEU 19 1.523 -3.210 7.036 24 HA LEU 19 HA LEU 19 0.252 -0.797 6.128 25 1HB LEU 19 2HB LEU 19 2.229 -0.653 8.316 26 2HB LEU 19 1HB LEU 19 0.681 0.138 8.155 27 HG LEU 19 HG LEU 19 1.160 -2.717 8.984 28 1HD1 LEU 19 1HD1 LEU 19 -0.241 -1.744 10.966 29 2HD1 LEU 19 2HD1 LEU 19 0.385 -0.203 10.380 30 3HD1 LEU 19 3HD1 LEU 19 1.500 -1.474 10.882 31 1HD2 LEU 19 1HD2 LEU 19 -1.509 -1.354 8.776 32 2HD2 LEU 19 2HD2 LEU 19 -1.168 -3.064 9.040 33 3HD2 LEU 19 3HD2 LEU 19 -0.847 -2.332 7.467 34 H THR 20 HN THR 20 1.069 0.814 5.065 35 HA THR 20 HA THR 20 3.956 1.128 4.796 36 HB THR 20 HB THR 20 3.452 -0.160 2.854 37 HG1 THR 20 1HG THR 20 4.771 1.422 2.203 38 1HG2 THR 20 1HG2 THR 20 1.774 0.434 1.214 39 2HG2 THR 20 2HG2 THR 20 1.237 1.774 2.229 40 3HG2 THR 20 3HG2 THR 20 1.031 0.111 2.780 41 H VAL 21 HN VAL 21 4.603 3.232 4.108 42 HA VAL 21 HA VAL 21 2.524 5.273 4.527 43 HB VAL 21 HB VAL 21 4.587 6.754 5.049 44 1HG1 VAL 21 1HG1 VAL 21 2.765 5.882 6.615 45 2HG1 VAL 21 2HG1 VAL 21 4.278 6.425 7.339 46 3HG1 VAL 21 3HG1 VAL 21 3.965 4.702 7.140 47 1HG2 VAL 21 1HG2 VAL 21 5.744 4.017 5.536 48 2HG2 VAL 21 2HG2 VAL 21 6.434 5.521 6.145 49 3HG2 VAL 21 3HG2 VAL 21 6.336 5.237 4.408 50 H VAL 22 HN VAL 22 2.247 6.790 2.964 51 HA VAL 22 HA VAL 22 3.551 6.331 0.478 52 HB VAL 22 HB VAL 22 2.232 8.535 -0.103 53 1HG1 VAL 22 1HG1 VAL 22 1.403 6.891 -1.338 54 2HG1 VAL 22 2HG1 VAL 22 0.143 6.785 -0.111 55 3HG1 VAL 22 3HG1 VAL 22 1.546 5.719 -0.030 56 1HG2 VAL 22 1HG2 VAL 22 0.261 8.914 1.144 57 2HG2 VAL 22 2HG2 VAL 22 1.607 8.931 2.284 58 3HG2 VAL 22 3HG2 VAL 22 0.567 7.511 2.168 59 H LEU 23 HN LEU 23 5.191 7.375 -0.410 60 HA LEU 23 HA LEU 23 6.585 9.305 1.182 61 1HB LEU 23 2HB LEU 23 7.533 8.600 -1.542 62 2HB LEU 23 1HB LEU 23 8.454 8.872 -0.079 63 HG LEU 23 HG LEU 23 6.931 6.379 -0.835 64 1HD1 LEU 23 1HD1 LEU 23 9.785 6.373 -0.060 65 2HD1 LEU 23 2HD1 LEU 23 9.382 7.079 -1.625 66 3HD1 LEU 23 3HD1 LEU 23 8.931 5.412 -1.269 67 1HD2 LEU 23 1HD2 LEU 23 8.087 7.260 1.781 68 2HD2 LEU 23 2HD2 LEU 23 8.057 5.550 1.348 69 3HD2 LEU 23 3HD2 LEU 23 6.551 6.462 1.448 70 H GLN 24 HN GLN 24 4.411 9.384 -1.491 71 HA GLN 24 HA GLN 24 4.774 12.255 -1.619 72 1HB GLN 24 2HB GLN 24 5.306 12.395 -3.826 73 2HB GLN 24 1HB GLN 24 6.112 10.905 -3.416 74 1HG GLN 24 2HG GLN 24 4.879 9.703 -4.827 75 2HG GLN 24 1HG GLN 24 3.388 10.549 -4.443 76 1HE2 GLN 24 1HE2 GLN 24 4.327 9.752 -7.026 77 2HE2 GLN 24 2HE2 GLN 24 4.512 11.190 -7.966 78 H ASP 25 HN ASP 25 2.928 13.396 -2.345 79 HA ASP 25 HA ASP 25 0.468 12.096 -1.707 80 1HB ASP 25 2HB ASP 25 0.025 14.545 -3.200 81 2HB ASP 25 1HB ASP 25 -0.410 14.147 -1.559 82 H PHE 26 HN PHE 26 -1.230 11.612 -3.057 83 HA PHE 26 HA PHE 26 -0.802 11.723 -5.932 84 1HB PHE 26 2HB PHE 26 0.092 9.529 -5.097 85 2HB PHE 26 1HB PHE 26 -1.541 9.118 -4.616 86 HD1 PHE 26 1HD PHE 26 0.636 9.817 -7.491 87 HD2 PHE 26 2HD PHE 26 -3.190 8.471 -6.199 88 HE1 PHE 26 1HE PHE 26 0.160 9.006 -9.764 89 HE2 PHE 26 2HE PHE 26 -3.671 7.659 -8.469 90 HZ PHE 26 HZ PHE 26 -1.997 7.924 -10.256 91 H SER 27 HN SER 27 -2.679 11.411 -7.162 92 HA SER 27 HA SER 27 -5.174 11.483 -5.658 93 1HB SER 27 2HB SER 27 -5.777 12.942 -7.815 94 2HB SER 27 1HB SER 27 -5.124 13.660 -6.355 95 HG SER 27 HG SER 27 -4.088 14.244 -8.415 96 H ALA 28 HN ALA 28 -6.747 10.214 -6.505 97 HA ALA 28 HA ALA 28 -6.212 8.030 -7.983 98 1HB ALA 28 1HB ALA 28 -8.445 7.531 -7.865 99 2HB ALA 28 2HB ALA 28 -8.934 9.195 -8.161 100 3HB ALA 28 3HB ALA 28 -8.287 8.735 -6.592 101 H ALA 29 HN ALA 29 -7.813 7.504 -9.930 102 HA ALA 29 HA ALA 29 -8.224 9.279 -12.014 103 1HB ALA 29 1HB ALA 29 -5.878 9.664 -12.198 104 2HB ALA 29 2HB ALA 29 -6.333 8.612 -13.539 105 3HB ALA 29 3HB ALA 29 -5.526 7.936 -12.124 106 H HIS 30 HN HIS 30 -7.297 6.041 -11.027 107 HA HIS 30 HA HIS 30 -8.878 4.916 -13.215 108 1HB HIS 30 2HB HIS 30 -6.412 4.184 -12.465 109 2HB HIS 30 1HB HIS 30 -7.347 3.120 -11.418 110 HD1 HIS 30 1HD HIS 30 -8.310 1.055 -12.462 111 HD2 HIS 30 2HD HIS 30 -6.937 3.776 -15.287 112 HE1 HIS 30 1HE HIS 30 -8.445 -0.142 -14.669 113 HE2 HIS 30 2HE HIS 30 -7.689 1.553 -16.373 114 H SER 31 HN SER 31 -9.859 2.720 -12.501 115 HA SER 31 HA SER 31 -12.124 3.227 -11.016 116 1HB SER 31 2HB SER 31 -11.029 0.440 -11.180 117 2HB SER 31 1HB SER 31 -12.697 0.992 -11.327 118 HG SER 31 HG SER 31 -12.379 1.056 -13.390 119 H SER 32 HN SER 32 -9.368 1.233 -9.953 120 HA SER 32 HA SER 32 -10.346 1.406 -7.215 121 1HB SER 32 2HB SER 32 -8.193 -0.131 -6.939 122 2HB SER 32 1HB SER 32 -9.713 -0.776 -7.559 123 HG SER 32 HG SER 32 -8.817 -1.062 -9.443 124 H GLU 33 HN GLU 33 -9.283 3.841 -8.390 125 HA GLU 33 HA GLU 33 -6.754 4.149 -6.955 126 1HB GLU 33 2HB GLU 33 -8.016 5.456 -9.299 127 2HB GLU 33 1HB GLU 33 -6.942 6.411 -8.307 128 1HG GLU 33 2HG GLU 33 -5.600 4.048 -8.680 129 2HG GLU 33 1HG GLU 33 -6.353 4.394 -10.228 130 H LEU 34 HN LEU 34 -6.409 6.032 -5.706 131 HA LEU 34 HA LEU 34 -8.610 7.714 -5.007 132 1HB LEU 34 2HB LEU 34 -8.012 7.166 -2.494 133 2HB LEU 34 1HB LEU 34 -9.295 6.373 -3.376 134 HG LEU 34 HG LEU 34 -7.436 4.583 -3.899 135 1HD1 LEU 34 1HD1 LEU 34 -5.857 4.333 -2.081 136 2HD1 LEU 34 2HD1 LEU 34 -6.448 5.815 -1.330 137 3HD1 LEU 34 3HD1 LEU 34 -5.615 5.885 -2.883 138 1HD2 LEU 34 1HD2 LEU 34 -9.334 3.909 -2.740 139 2HD2 LEU 34 2HD2 LEU 34 -9.041 5.025 -1.407 140 3HD2 LEU 34 3HD2 LEU 34 -8.038 3.586 -1.588 141 H SER 35 HN SER 35 -7.951 9.390 -3.432 142 HA SER 35 HA SER 35 -5.320 10.324 -4.104 143 1HB SER 35 2HB SER 35 -6.339 12.354 -2.694 144 2HB SER 35 1HB SER 35 -6.727 12.104 -4.394 145 HG SER 35 HG SER 35 -8.716 11.846 -3.804 146 H ILE 36 HN ILE 36 -3.705 10.520 -2.813 147 HA ILE 36 HA ILE 36 -4.038 10.118 0.073 148 HB ILE 36 HB ILE 36 -1.935 8.779 0.078 149 1HG1 ILE 36 2HG1 ILE 36 -1.649 7.679 -2.350 150 2HG1 ILE 36 1HG1 ILE 36 -2.226 9.261 -2.837 151 1HG2 ILE 36 1HG2 ILE 36 -4.523 7.927 -1.026 152 2HG2 ILE 36 2HG2 ILE 36 -3.602 7.285 0.334 153 3HG2 ILE 36 3HG2 ILE 36 -3.185 6.814 -1.313 154 1HD1 ILE 36 1HD1 ILE 36 -0.393 10.336 -1.782 155 2HD1 ILE 36 2HD1 ILE 36 0.242 9.026 -2.774 156 3HD1 ILE 36 3HD1 ILE 36 0.125 8.832 -1.026 157 H GLN 37 HN GLN 37 -1.981 10.736 1.235 158 HA GLN 37 HA GLN 37 -0.578 12.916 -0.082 159 1HB GLN 37 2HB GLN 37 -2.231 12.944 2.361 160 2HB GLN 37 1HB GLN 37 -0.726 13.832 2.431 161 1HG GLN 37 2HG GLN 37 -1.560 15.503 1.237 162 2HG GLN 37 1HG GLN 37 -2.120 14.397 -0.016 163 1HE2 GLN 37 1HE2 GLN 37 -3.994 15.648 -0.288 164 2HE2 GLN 37 2HE2 GLN 37 -5.299 15.580 0.842 165 H VAL 38 HN VAL 38 1.500 13.304 0.602 166 HA VAL 38 HA VAL 38 3.010 11.071 1.416 167 HB VAL 38 HB VAL 38 3.959 12.858 0.055 168 1HG1 VAL 38 1HG1 VAL 38 2.702 14.597 1.675 169 2HG1 VAL 38 2HG1 VAL 38 4.031 15.040 0.604 170 3HG1 VAL 38 3HG1 VAL 38 4.345 14.712 2.308 171 1HG2 VAL 38 1HG2 VAL 38 5.461 12.820 2.662 172 2HG2 VAL 38 2HG2 VAL 38 6.113 12.948 1.029 173 3HG2 VAL 38 3HG2 VAL 38 5.397 11.432 1.576 174 H GLY 39 HN GLY 39 3.272 10.237 3.408 175 1HA GLY 39 2HA GLY 39 4.203 10.718 5.630 176 2HA GLY 39 1HA GLY 39 3.119 12.090 5.709 177 H GLN 40 HN GLN 40 0.944 10.342 4.519 178 HA GLN 40 HA GLN 40 -0.088 9.477 7.003 179 1HB GLN 40 2HB GLN 40 -2.070 8.989 5.825 180 2HB GLN 40 1HB GLN 40 -1.435 10.478 5.189 181 1HG GLN 40 2HG GLN 40 -0.454 9.208 3.351 182 2HG GLN 40 1HG GLN 40 -1.240 7.765 3.966 183 1HE2 GLN 40 1HE2 GLN 40 -2.754 7.313 2.498 184 2HE2 GLN 40 2HE2 GLN 40 -3.968 8.409 1.945 185 H THR 41 HN THR 41 -1.221 7.285 7.095 186 HA THR 41 HA THR 41 0.640 5.227 6.097 187 HB THR 41 HB THR 41 -0.688 5.414 8.794 188 HG1 THR 41 1HG THR 41 1.966 4.737 8.086 189 1HG2 THR 41 1HG2 THR 41 -1.178 3.190 8.511 190 2HG2 THR 41 2HG2 THR 41 0.493 3.050 9.053 191 3HG2 THR 41 3HG2 THR 41 0.112 2.939 7.336 192 H VAL 42 HN VAL 42 -0.229 3.932 4.708 193 HA VAL 42 HA VAL 42 -2.963 3.020 5.161 194 HB VAL 42 HB VAL 42 -1.933 4.405 2.751 195 1HG1 VAL 42 1HG1 VAL 42 -2.211 2.459 1.580 196 2HG1 VAL 42 2HG1 VAL 42 -3.852 3.100 1.516 197 3HG1 VAL 42 3HG1 VAL 42 -3.429 1.853 2.675 198 1HG2 VAL 42 1HG2 VAL 42 -4.453 4.209 4.314 199 2HG2 VAL 42 2HG2 VAL 42 -4.551 4.692 2.621 200 3HG2 VAL 42 3HG2 VAL 42 -3.582 5.637 3.753 201 H GLU 43 HN GLU 43 -3.257 0.949 4.783 202 HA GLU 43 HA GLU 43 -0.953 -0.704 4.623 203 1HB GLU 43 2HB GLU 43 -2.503 -2.547 4.994 204 2HB GLU 43 1HB GLU 43 -2.829 -1.234 6.117 205 1HG GLU 43 2HG GLU 43 -4.635 -0.470 4.553 206 2HG GLU 43 1HG GLU 43 -4.380 -1.957 3.642 207 H LEU 44 HN LEU 44 -0.204 -1.867 2.909 208 HA LEU 44 HA LEU 44 -1.294 -1.339 0.334 209 1HB LEU 44 2HB LEU 44 0.498 -2.947 -0.394 210 2HB LEU 44 1HB LEU 44 1.005 -1.458 0.341 211 HG LEU 44 HG LEU 44 0.758 -3.500 2.356 212 1HD1 LEU 44 1HD1 LEU 44 1.140 -5.141 0.678 213 2HD1 LEU 44 2HD1 LEU 44 2.649 -4.921 1.564 214 3HD1 LEU 44 3HD1 LEU 44 2.450 -4.195 -0.032 215 1HD2 LEU 44 1HD2 LEU 44 2.140 -1.766 2.934 216 2HD2 LEU 44 2HD2 LEU 44 2.858 -1.657 1.326 217 3HD2 LEU 44 3HD2 LEU 44 3.321 -2.969 2.411 218 H LEU 45 HN LEU 45 -2.100 -2.737 -1.096 219 HA LEU 45 HA LEU 45 -3.712 -4.864 0.001 220 1HB LEU 45 2HB LEU 45 -3.481 -4.367 -2.934 221 2HB LEU 45 1HB LEU 45 -4.869 -4.878 -2.007 222 HG LEU 45 HG LEU 45 -3.765 -2.083 -1.763 223 1HD1 LEU 45 1HD1 LEU 45 -6.140 -2.503 -3.444 224 2HD1 LEU 45 2HD1 LEU 45 -4.614 -3.039 -4.142 225 3HD1 LEU 45 3HD1 LEU 45 -4.804 -1.366 -3.623 226 1HD2 LEU 45 1HD2 LEU 45 -6.545 -3.134 -1.331 227 2HD2 LEU 45 2HD2 LEU 45 -5.908 -1.545 -0.910 228 3HD2 LEU 45 3HD2 LEU 45 -5.344 -2.976 -0.048 229 H GLU 46 HN GLU 46 -1.230 -4.681 -2.569 230 HA GLU 46 HA GLU 46 -0.479 -7.419 -1.924 231 1HB GLU 46 2HB GLU 46 0.039 -7.455 -4.542 232 2HB GLU 46 1HB GLU 46 -1.511 -7.953 -3.895 233 1HG GLU 46 2HG GLU 46 -2.475 -5.825 -4.454 234 2HG GLU 46 1HG GLU 46 -0.903 -5.206 -4.959 235 H ARG 47 HN ARG 47 1.616 -7.744 -3.520 236 HA ARG 47 HA ARG 47 3.445 -5.545 -2.823 237 1HB ARG 47 2HB ARG 47 3.613 -8.466 -2.437 238 2HB ARG 47 1HB ARG 47 5.093 -7.688 -2.974 239 1HG ARG 47 2HG ARG 47 4.515 -6.020 -1.011 240 2HG ARG 47 1HG ARG 47 3.631 -7.422 -0.405 241 1HD ARG 47 2HD ARG 47 6.107 -8.419 -1.235 242 2HD ARG 47 1HD ARG 47 6.469 -6.900 -0.417 243 HE ARG 47 HE ARG 47 5.638 -9.326 0.795 244 1HH1 ARG 47 1HH1 ARG 47 5.325 -5.854 1.084 245 2HH1 ARG 47 2HH1 ARG 47 5.032 -5.902 2.789 246 1HH2 ARG 47 1HH2 ARG 47 5.251 -9.380 3.035 247 2HH2 ARG 47 2HH2 ARG 47 4.990 -7.899 3.895 248 HA PRO 48 HA PRO 48 4.884 -5.500 -7.010 249 1HB PRO 48 2HB PRO 48 7.510 -5.038 -6.827 250 2HB PRO 48 1HB PRO 48 6.315 -3.834 -6.334 251 1HG PRO 48 2HG PRO 48 7.914 -5.717 -4.646 252 2HG PRO 48 1HG PRO 48 7.537 -4.007 -4.366 253 1HD PRO 48 2HD PRO 48 6.197 -6.080 -3.182 254 2HD PRO 48 1HD PRO 48 5.486 -4.482 -3.471 255 H SER 49 HN SER 49 4.439 -8.104 -6.463 256 HA SER 49 HA SER 49 6.820 -9.661 -6.943 257 1HB SER 49 2HB SER 49 3.924 -10.362 -6.567 258 2HB SER 49 1HB SER 49 5.106 -11.567 -7.075 259 HG SER 49 HG SER 49 4.659 -10.512 -4.612 260 H GLU 50 HN GLU 50 3.859 -8.870 -8.597 261 HA GLU 50 HA GLU 50 4.703 -10.057 -11.071 262 1HB GLU 50 2HB GLU 50 2.523 -9.486 -11.836 263 2HB GLU 50 1HB GLU 50 2.366 -10.118 -10.215 264 1HG GLU 50 2HG GLU 50 2.295 -7.795 -9.382 265 2HG GLU 50 1HG GLU 50 2.260 -7.249 -11.058 266 H ARG 51 HN ARG 51 4.255 -6.930 -9.624 267 HA ARG 51 HA ARG 51 5.551 -5.658 -11.944 268 1HB ARG 51 2HB ARG 51 3.238 -4.922 -11.687 269 2HB ARG 51 1HB ARG 51 3.542 -4.492 -10.014 270 1HG ARG 51 2HG ARG 51 4.901 -2.671 -10.618 271 2HG ARG 51 1HG ARG 51 5.031 -3.226 -12.289 272 1HD ARG 51 2HD ARG 51 2.294 -2.961 -11.847 273 2HD ARG 51 1HD ARG 51 3.011 -1.567 -11.041 274 HE ARG 51 HE ARG 51 2.713 -1.916 -13.816 275 1HH1 ARG 51 1HH1 ARG 51 5.056 -0.750 -11.494 276 2HH1 ARG 51 2HH1 ARG 51 5.790 0.351 -12.609 277 1HH2 ARG 51 1HH2 ARG 51 3.684 -0.468 -15.273 278 2HH2 ARG 51 2HH2 ARG 51 5.013 0.512 -14.751 279 HA PRO 52 HA PRO 52 8.466 -4.685 -8.647 280 1HB PRO 52 2HB PRO 52 10.647 -4.405 -10.179 281 2HB PRO 52 1HB PRO 52 9.938 -5.993 -9.869 282 1HG PRO 52 2HG PRO 52 9.887 -4.357 -12.329 283 2HG PRO 52 1HG PRO 52 9.750 -6.111 -12.141 284 1HD PRO 52 2HD PRO 52 7.639 -4.201 -12.496 285 2HD PRO 52 1HD PRO 52 7.496 -5.955 -12.278 286 H GLY 53 HN GLY 53 8.053 -2.738 -7.822 287 1HA GLY 53 2HA GLY 53 9.164 -0.521 -7.757 288 2HA GLY 53 1HA GLY 53 8.757 -0.387 -9.455 289 H TRP 54 HN TRP 54 6.199 -1.873 -8.135 290 HA TRP 54 HA TRP 54 4.789 0.612 -7.689 291 1HB TRP 54 2HB TRP 54 3.007 -0.226 -8.831 292 2HB TRP 54 1HB TRP 54 4.318 -1.017 -9.660 293 HD1 TRP 54 1HD TRP 54 4.771 -3.369 -7.498 294 HE1 TRP 54 1HE TRP 54 3.014 -5.270 -7.354 295 HE3 TRP 54 3HE TRP 54 0.867 -0.961 -9.633 296 HZ2 TRP 54 2HZ TRP 54 0.306 -5.667 -8.086 297 HZ3 TRP 54 3HZ TRP 54 -1.288 -2.147 -9.899 298 HH2 TRP 54 2HH TRP 54 -1.559 -4.450 -9.130 299 H CYS 55 HN CYS 55 2.824 0.514 -6.310 300 HA CYS 55 HA CYS 55 2.597 -1.609 -4.409 301 1HB CYS 55 2HB CYS 55 3.931 0.912 -3.683 302 2HB CYS 55 1HB CYS 55 2.755 0.304 -2.556 303 HG CYS 55 HG CYS 55 5.525 -0.678 -2.756 304 H LEU 56 HN LEU 56 0.714 -1.375 -3.088 305 HA LEU 56 HA LEU 56 -1.234 0.498 -4.231 306 1HB LEU 56 2HB LEU 56 -1.424 -2.318 -3.258 307 2HB LEU 56 1HB LEU 56 -2.838 -1.303 -3.329 308 HG LEU 56 HG LEU 56 -2.859 -1.231 -5.646 309 1HD1 LEU 56 1HD1 LEU 56 0.056 -1.998 -5.564 310 2HD1 LEU 56 2HD1 LEU 56 -0.651 -0.490 -6.143 311 3HD1 LEU 56 3HD1 LEU 56 -0.903 -1.984 -7.045 312 1HD2 LEU 56 1HD2 LEU 56 -3.480 -3.357 -5.719 313 2HD2 LEU 56 2HD2 LEU 56 -2.363 -3.789 -4.428 314 3HD2 LEU 56 3HD2 LEU 56 -1.814 -3.782 -6.101 315 H VAL 57 HN VAL 57 -2.985 1.230 -2.801 316 HA VAL 57 HA VAL 57 -2.194 1.236 0.042 317 HB VAL 57 HB VAL 57 -3.206 3.696 -0.083 318 1HG1 VAL 57 1HG1 VAL 57 -0.621 4.228 -0.892 319 2HG1 VAL 57 2HG1 VAL 57 -0.525 2.601 -0.220 320 3HG1 VAL 57 3HG1 VAL 57 -1.158 3.922 0.759 321 1HG2 VAL 57 1HG2 VAL 57 -2.029 3.357 -2.824 322 2HG2 VAL 57 2HG2 VAL 57 -2.537 4.879 -2.090 323 3HG2 VAL 57 3HG2 VAL 57 -3.731 3.632 -2.450 324 H ARG 58 HN ARG 58 -3.830 0.574 1.345 325 HA ARG 58 HA ARG 58 -6.573 0.741 0.327 326 1HB ARG 58 2HB ARG 58 -6.599 -1.420 0.944 327 2HB ARG 58 1HB ARG 58 -5.084 -1.271 1.793 328 1HG ARG 58 2HG ARG 58 -6.522 -2.018 3.429 329 2HG ARG 58 1HG ARG 58 -6.511 -0.289 3.720 330 1HD ARG 58 2HD ARG 58 -8.721 -1.923 3.367 331 2HD ARG 58 1HD ARG 58 -8.708 -0.170 3.409 332 HE ARG 58 HE ARG 58 -8.344 -0.360 0.896 333 1HH1 ARG 58 1HH1 ARG 58 -10.215 -2.741 2.718 334 2HH1 ARG 58 2HH1 ARG 58 -11.154 -3.199 1.345 335 1HH2 ARG 58 1HH2 ARG 58 -9.609 -0.994 -0.854 336 2HH2 ARG 58 2HH2 ARG 58 -10.819 -2.217 -0.668 337 H THR 59 HN THR 59 -8.318 1.288 1.992 338 HA THR 59 HA THR 59 -7.237 2.944 4.162 339 HB THR 59 HB THR 59 -7.820 4.376 2.258 340 HG1 THR 59 1HG THR 59 -8.037 5.214 4.346 341 1HG2 THR 59 1HG2 THR 59 -10.130 4.782 1.658 342 2HG2 THR 59 2HG2 THR 59 -10.645 3.469 2.716 343 3HG2 THR 59 3HG2 THR 59 -9.656 3.124 1.298 344 H THR 60 HN THR 60 -7.991 2.365 6.008 345 HA THR 60 HA THR 60 -10.532 0.887 6.113 346 HB THR 60 HB THR 60 -8.806 0.824 8.492 347 HG1 THR 60 1HG THR 60 -7.939 -0.282 6.035 348 1HG2 THR 60 1HG2 THR 60 -10.268 -1.206 6.850 349 2HG2 THR 60 2HG2 THR 60 -10.574 -0.699 8.511 350 3HG2 THR 60 3HG2 THR 60 -9.146 -1.663 8.130 351 H GLU 61 HN GLU 61 -9.068 3.851 7.000 352 HA GLU 61 HA GLU 61 -10.834 4.329 9.231 353 1HB GLU 61 2HB GLU 61 -8.845 6.114 7.831 354 2HB GLU 61 1HB GLU 61 -9.798 6.609 9.224 355 1HG GLU 61 2HG GLU 61 -8.769 4.773 10.524 356 2HG GLU 61 1HG GLU 61 -7.748 4.409 9.133 357 H ARG 62 HN ARG 62 -11.574 4.077 6.181 358 HA ARG 62 HA ARG 62 -13.617 6.132 6.287 359 1HB ARG 62 2HB ARG 62 -12.186 7.179 4.777 360 2HB ARG 62 1HB ARG 62 -11.560 5.663 4.157 361 1HG ARG 62 2HG ARG 62 -13.186 5.461 2.609 362 2HG ARG 62 1HG ARG 62 -14.401 6.249 3.616 363 1HD ARG 62 2HD ARG 62 -12.538 8.245 3.093 364 2HD ARG 62 1HD ARG 62 -12.673 7.366 1.570 365 HE ARG 62 HE ARG 62 -14.734 8.288 1.290 366 1HH1 ARG 62 1HH1 ARG 62 -13.951 8.435 4.697 367 2HH1 ARG 62 2HH1 ARG 62 -15.372 9.333 5.107 368 1HH2 ARG 62 1HH2 ARG 62 -16.598 9.467 1.838 369 2HH2 ARG 62 2HH2 ARG 62 -16.874 9.919 3.488 370 H SER 63 HN SER 63 -15.168 4.646 6.782 371 HA SER 63 HA SER 63 -15.381 2.158 5.345 372 1HB SER 63 2HB SER 63 -15.930 2.435 7.796 373 2HB SER 63 1HB SER 63 -17.376 3.310 7.296 374 HG SER 63 HG SER 63 -17.587 0.966 7.684 375 HA PRO 64 HA PRO 64 -16.566 0.681 4.315 376 1HB PRO 64 2HB PRO 64 -16.798 0.539 1.412 377 2HB PRO 64 1HB PRO 64 -17.657 -0.390 2.642 378 1HG PRO 64 2HG PRO 64 -18.870 1.468 1.088 379 2HG PRO 64 1HG PRO 64 -19.398 1.100 2.740 380 1HD PRO 64 2HD PRO 64 -17.723 3.378 1.743 381 2HD PRO 64 1HD PRO 64 -19.043 3.388 2.934 382 HA PRO 65 HA PRO 65 -12.244 1.266 3.465 383 1HB PRO 65 2HB PRO 65 -12.373 -1.426 2.196 384 2HB PRO 65 1HB PRO 65 -11.243 -0.804 3.406 385 1HG PRO 65 2HG PRO 65 -13.213 -2.455 4.112 386 2HG PRO 65 1HG PRO 65 -12.743 -1.098 5.152 387 1HD PRO 65 2HD PRO 65 -15.134 -1.408 3.405 388 2HD PRO 65 1HD PRO 65 -14.963 -0.541 4.945 389 H GLN 66 HN GLN 66 -10.763 1.545 1.726 390 HA GLN 66 HA GLN 66 -11.809 1.309 -0.954 391 1HB GLN 66 2HB GLN 66 -11.774 3.719 0.499 392 2HB GLN 66 1HB GLN 66 -10.457 3.831 -0.653 393 1HG GLN 66 2HG GLN 66 -12.528 2.826 -2.148 394 2HG GLN 66 1HG GLN 66 -13.316 3.967 -1.061 395 1HE2 GLN 66 1HE2 GLN 66 -11.150 5.786 -0.819 396 2HE2 GLN 66 2HE2 GLN 66 -10.973 6.598 -2.333 397 H GLU 67 HN GLU 67 -10.014 1.584 -2.591 398 HA GLU 67 HA GLU 67 -7.396 1.226 -1.378 399 1HB GLU 67 2HB GLU 67 -7.060 -0.517 -3.344 400 2HB GLU 67 1HB GLU 67 -7.618 -0.976 -1.757 401 1HG GLU 67 2HG GLU 67 -9.070 -2.107 -3.126 402 2HG GLU 67 1HG GLU 67 -9.983 -0.645 -2.768 403 H GLY 68 HN GLY 68 -5.620 1.517 -2.782 404 1HA GLY 68 2HA GLY 68 -6.241 3.098 -5.203 405 2HA GLY 68 1HA GLY 68 -5.230 3.793 -3.956 406 H LEU 69 HN LEU 69 -4.108 3.834 -6.273 407 HA LEU 69 HA LEU 69 -2.059 1.768 -6.108 408 1HB LEU 69 2HB LEU 69 -3.904 2.218 -8.363 409 2HB LEU 69 1HB LEU 69 -2.222 1.963 -8.783 410 HG LEU 69 HG LEU 69 -2.436 -0.081 -7.169 411 1HD1 LEU 69 1HD1 LEU 69 -5.187 0.832 -7.452 412 2HD1 LEU 69 2HD1 LEU 69 -4.482 -0.303 -6.303 413 3HD1 LEU 69 3HD1 LEU 69 -4.972 -0.860 -7.902 414 1HD2 LEU 69 1HD2 LEU 69 -3.029 -1.476 -9.082 415 2HD2 LEU 69 2HD2 LEU 69 -1.904 -0.198 -9.539 416 3HD2 LEU 69 3HD2 LEU 69 -3.615 -0.052 -9.941 417 H VAL 70 HN VAL 70 -0.072 2.421 -6.438 418 HA VAL 70 HA VAL 70 0.635 4.714 -8.011 419 HB VAL 70 HB VAL 70 1.950 5.596 -5.838 420 1HG1 VAL 70 1HG1 VAL 70 0.325 7.382 -5.684 421 2HG1 VAL 70 2HG1 VAL 70 -0.876 6.389 -6.509 422 3HG1 VAL 70 3HG1 VAL 70 0.569 6.919 -7.368 423 1HG2 VAL 70 1HG2 VAL 70 1.009 5.214 -3.824 424 2HG2 VAL 70 2HG2 VAL 70 0.330 3.788 -4.603 425 3HG2 VAL 70 3HG2 VAL 70 -0.631 5.260 -4.468 426 HA PRO 71 HA PRO 71 4.197 2.193 -7.914 427 1HB PRO 71 2HB PRO 71 6.143 4.134 -8.576 428 2HB PRO 71 1HB PRO 71 5.279 3.050 -9.670 429 1HG PRO 71 2HG PRO 71 4.970 5.831 -9.564 430 2HG PRO 71 1HG PRO 71 3.855 4.694 -10.337 431 1HD PRO 71 2HD PRO 71 3.677 6.008 -7.670 432 2HD PRO 71 1HD PRO 71 2.378 5.575 -8.791 433 H SER 72 HN SER 72 6.187 1.725 -6.845 434 HA SER 72 HA SER 72 6.254 2.036 -4.175 435 1HB SER 72 2HB SER 72 7.707 0.430 -5.038 436 2HB SER 72 1HB SER 72 8.444 1.561 -6.170 437 HG SER 72 HG SER 72 9.869 2.015 -4.707 438 H SER 73 HN SER 73 7.369 4.404 -6.503 439 HA SER 73 HA SER 73 9.064 5.950 -4.943 440 1HB SER 73 2HB SER 73 7.090 6.879 -7.044 441 2HB SER 73 1HB SER 73 8.437 7.833 -6.423 442 HG SER 73 HG SER 73 8.556 5.420 -7.903 443 H THR 74 HN THR 74 5.536 5.843 -5.019 444 HA THR 74 HA THR 74 5.423 7.916 -2.936 445 HB THR 74 HB THR 74 3.519 8.598 -3.877 446 HG1 THR 74 1HG THR 74 1.746 7.430 -3.859 447 1HG2 THR 74 1HG2 THR 74 4.682 8.074 -5.947 448 2HG2 THR 74 2HG2 THR 74 2.928 7.936 -6.096 449 3HG2 THR 74 3HG2 THR 74 3.918 6.490 -5.929 450 H LEU 75 HN LEU 75 5.998 4.811 -2.798 451 HA LEU 75 HA LEU 75 4.304 4.416 -0.472 452 1HB LEU 75 2HB LEU 75 4.714 2.423 -2.674 453 2HB LEU 75 1HB LEU 75 3.900 2.102 -1.169 454 HG LEU 75 HG LEU 75 2.610 4.347 -2.254 455 1HD1 LEU 75 1HD1 LEU 75 3.719 2.746 -4.359 456 2HD1 LEU 75 2HD1 LEU 75 2.766 4.223 -4.457 457 3HD1 LEU 75 3HD1 LEU 75 1.959 2.660 -4.392 458 1HD2 LEU 75 1HD2 LEU 75 1.359 1.704 -2.649 459 2HD2 LEU 75 2HD2 LEU 75 0.745 3.143 -1.847 460 3HD2 LEU 75 3HD2 LEU 75 1.874 2.083 -1.006 461 H CYS 76 HN CYS 76 5.351 3.637 1.178 462 HA CYS 76 HA CYS 76 8.142 3.329 1.217 463 1HB CYS 76 2HB CYS 76 6.282 3.703 3.136 464 2HB CYS 76 1HB CYS 76 6.585 1.983 3.352 465 HG CYS 76 HG CYS 76 9.031 2.514 3.957 466 H ILE 77 HN ILE 77 9.251 1.736 0.301 467 HA ILE 77 HA ILE 77 8.090 -0.967 0.322 468 HB ILE 77 HB ILE 77 9.237 -1.462 -1.716 469 1HG1 ILE 77 2HG1 ILE 77 10.449 0.621 -2.825 470 2HG1 ILE 77 1HG1 ILE 77 10.689 1.095 -1.147 471 1HG2 ILE 77 1HG2 ILE 77 8.209 1.294 -2.237 472 2HG2 ILE 77 2HG2 ILE 77 7.118 0.046 -1.641 473 3HG2 ILE 77 3HG2 ILE 77 7.972 -0.184 -3.167 474 1HD1 ILE 77 1HD1 ILE 77 12.024 -0.939 -2.723 475 2HD1 ILE 77 2HD1 ILE 77 11.457 -1.541 -1.166 476 3HD1 ILE 77 3HD1 ILE 77 12.529 -0.143 -1.233 477 H SER 78 HN SER 78 10.989 0.912 0.818 478 HA SER 78 HA SER 78 12.310 -1.458 1.962 479 1HB SER 78 2HB SER 78 13.317 0.868 0.417 480 2HB SER 78 1HB SER 78 14.351 0.282 1.720 481 HG SER 78 HG SER 78 14.741 -0.751 -0.318 482 H HIS 79 HN HIS 79 11.524 1.933 2.490 483 HA HIS 79 HA HIS 79 11.429 3.209 4.369 484 1HB HIS 79 2HB HIS 79 10.041 1.256 5.138 485 2HB HIS 79 1HB HIS 79 11.490 0.592 5.884 486 HD1 HIS 79 1HD HIS 79 9.560 0.945 7.938 487 HD2 HIS 79 2HD HIS 79 11.698 4.234 6.566 488 HE1 HIS 79 1HE HIS 79 9.395 2.665 9.764 489 HE2 HIS 79 2HE HIS 79 10.763 4.615 8.946 490 H SER 80 HN SER 80 13.656 3.798 3.705 491 HA SER 80 HA SER 80 15.953 2.651 4.820 492 1HB SER 80 2HB SER 80 15.561 5.559 4.078 493 2HB SER 80 1HB SER 80 17.095 4.698 4.192 494 HG SER 80 HG SER 80 15.829 4.988 2.042 Start of MODEL 19 1 H SER 14 HN SER 14 -2.053 -10.424 11.152 2 HA SER 14 HA SER 14 -1.364 -9.319 9.287 3 1HB SER 14 2HB SER 14 0.855 -9.458 10.258 4 2HB SER 14 1HB SER 14 1.060 -11.098 9.643 5 HG SER 14 HG SER 14 1.790 -8.946 8.441 6 H GLY 15 HN GLY 15 -2.921 -10.008 7.854 7 1HA GLY 15 2HA GLY 15 -2.700 -12.541 6.495 8 2HA GLY 15 1HA GLY 15 -3.896 -11.291 6.187 9 H GLY 16 HN GLY 16 -3.807 -10.640 4.149 10 1HA GLY 16 2HA GLY 16 -1.203 -10.633 2.781 11 2HA GLY 16 1HA GLY 16 -2.772 -10.651 1.991 12 H CYS 17 HN CYS 17 -2.065 -8.511 4.651 13 HA CYS 17 HA CYS 17 -1.769 -6.260 2.810 14 1HB CYS 17 2HB CYS 17 -3.204 -4.949 4.513 15 2HB CYS 17 1HB CYS 17 -4.027 -6.002 3.369 16 HG CYS 17 HG CYS 17 -4.792 -7.461 5.224 17 H GLU 18 HN GLU 18 -0.337 -4.741 3.453 18 HA GLU 18 HA GLU 18 0.837 -5.036 6.137 19 1HB GLU 18 2HB GLU 18 2.360 -6.040 4.525 20 2HB GLU 18 1HB GLU 18 2.337 -4.578 3.553 21 1HG GLU 18 2HG GLU 18 4.375 -4.744 4.867 22 2HG GLU 18 1HG GLU 18 3.413 -3.349 5.353 23 H LEU 19 HN LEU 19 1.595 -3.144 7.088 24 HA LEU 19 HA LEU 19 0.213 -0.780 6.212 25 1HB LEU 19 2HB LEU 19 2.228 -0.522 8.345 26 2HB LEU 19 1HB LEU 19 0.622 0.154 8.235 27 HG LEU 19 HG LEU 19 1.359 -2.638 9.080 28 1HD1 LEU 19 1HD1 LEU 19 0.191 -0.245 10.455 29 2HD1 LEU 19 2HD1 LEU 19 1.620 -1.181 10.893 30 3HD1 LEU 19 3HD1 LEU 19 0.011 -1.876 11.102 31 1HD2 LEU 19 1HD2 LEU 19 -1.242 -1.489 8.188 32 2HD2 LEU 19 2HD2 LEU 19 -1.229 -2.665 9.503 33 3HD2 LEU 19 3HD2 LEU 19 -0.573 -3.099 7.924 34 H THR 20 HN THR 20 0.951 0.855 5.114 35 HA THR 20 HA THR 20 3.825 1.245 4.780 36 HB THR 20 HB THR 20 3.083 -0.144 2.880 37 HG1 THR 20 1HG THR 20 4.186 1.019 1.453 38 1HG2 THR 20 1HG2 THR 20 1.716 1.036 1.105 39 2HG2 THR 20 2HG2 THR 20 1.180 2.117 2.391 40 3HG2 THR 20 3HG2 THR 20 0.839 0.390 2.493 41 H VAL 21 HN VAL 21 4.405 3.348 4.060 42 HA VAL 21 HA VAL 21 2.298 5.359 4.460 43 HB VAL 21 HB VAL 21 4.291 6.866 5.088 44 1HG1 VAL 21 1HG1 VAL 21 3.818 4.778 7.160 45 2HG1 VAL 21 2HG1 VAL 21 2.468 5.754 6.580 46 3HG1 VAL 21 3HG1 VAL 21 3.866 6.534 7.322 47 1HG2 VAL 21 1HG2 VAL 21 6.144 5.628 6.219 48 2HG2 VAL 21 2HG2 VAL 21 6.130 5.488 4.462 49 3HG2 VAL 21 3HG2 VAL 21 5.544 4.155 5.458 50 H VAL 22 HN VAL 22 2.016 6.799 2.833 51 HA VAL 22 HA VAL 22 3.439 6.371 0.424 52 HB VAL 22 HB VAL 22 2.151 8.576 -0.214 53 1HG1 VAL 22 1HG1 VAL 22 0.914 7.184 -1.405 54 2HG1 VAL 22 2HG1 VAL 22 0.210 6.448 0.036 55 3HG1 VAL 22 3HG1 VAL 22 1.769 5.889 -0.568 56 1HG2 VAL 22 1HG2 VAL 22 0.301 7.572 1.903 57 2HG2 VAL 22 2HG2 VAL 22 0.211 9.065 0.970 58 3HG2 VAL 22 3HG2 VAL 22 1.443 8.878 2.217 59 H LEU 23 HN LEU 23 5.180 7.326 -0.321 60 HA LEU 23 HA LEU 23 6.535 9.232 1.288 61 1HB LEU 23 2HB LEU 23 7.448 8.577 -1.473 62 2HB LEU 23 1HB LEU 23 8.400 8.876 -0.034 63 HG LEU 23 HG LEU 23 6.884 6.360 -0.716 64 1HD1 LEU 23 1HD1 LEU 23 9.297 5.475 -0.344 65 2HD1 LEU 23 2HD1 LEU 23 9.762 7.149 -0.643 66 3HD1 LEU 23 3HD1 LEU 23 8.876 6.248 -1.873 67 1HD2 LEU 23 1HD2 LEU 23 7.485 5.457 1.379 68 2HD2 LEU 23 2HD2 LEU 23 6.783 7.038 1.723 69 3HD2 LEU 23 3HD2 LEU 23 8.534 6.825 1.754 70 H GLN 24 HN GLN 24 4.452 9.419 -1.466 71 HA GLN 24 HA GLN 24 4.760 12.305 -1.447 72 1HB GLN 24 2HB GLN 24 5.167 12.488 -3.748 73 2HB GLN 24 1HB GLN 24 6.227 11.212 -3.196 74 1HG GLN 24 2HG GLN 24 5.149 9.610 -4.328 75 2HG GLN 24 1HG GLN 24 3.597 10.439 -4.310 76 1HE2 GLN 24 1HE2 GLN 24 6.880 10.832 -5.594 77 2HE2 GLN 24 2HE2 GLN 24 6.390 11.455 -7.129 78 H ASP 25 HN ASP 25 2.892 13.433 -2.192 79 HA ASP 25 HA ASP 25 0.449 12.066 -1.679 80 1HB ASP 25 2HB ASP 25 0.014 14.515 -3.188 81 2HB ASP 25 1HB ASP 25 -0.496 14.097 -1.574 82 H PHE 26 HN PHE 26 -1.187 11.556 -3.080 83 HA PHE 26 HA PHE 26 -0.685 11.656 -5.943 84 1HB PHE 26 2HB PHE 26 0.225 9.489 -5.080 85 2HB PHE 26 1HB PHE 26 -1.398 9.059 -4.591 86 HD1 PHE 26 1HD PHE 26 0.771 9.729 -7.480 87 HD2 PHE 26 2HD PHE 26 -3.031 8.345 -6.160 88 HE1 PHE 26 1HE PHE 26 0.312 8.859 -9.734 89 HE2 PHE 26 2HE PHE 26 -3.497 7.472 -8.412 90 HZ PHE 26 HZ PHE 26 -1.825 7.727 -10.203 91 H SER 27 HN SER 27 -2.548 11.328 -7.212 92 HA SER 27 HA SER 27 -5.063 11.406 -5.731 93 1HB SER 27 2HB SER 27 -5.661 12.768 -7.952 94 2HB SER 27 1HB SER 27 -5.026 13.553 -6.517 95 HG SER 27 HG SER 27 -3.473 14.198 -7.765 96 H ALA 28 HN ALA 28 -6.607 10.088 -6.515 97 HA ALA 28 HA ALA 28 -6.037 7.853 -7.903 98 1HB ALA 28 1HB ALA 28 -8.780 8.978 -8.088 99 2HB ALA 28 2HB ALA 28 -8.105 8.542 -6.523 100 3HB ALA 28 3HB ALA 28 -8.268 7.322 -7.782 101 H ALA 29 HN ALA 29 -7.642 7.211 -9.812 102 HA ALA 29 HA ALA 29 -8.171 8.825 -11.968 103 1HB ALA 29 1HB ALA 29 -6.040 7.900 -13.351 104 2HB ALA 29 2HB ALA 29 -5.304 8.154 -11.770 105 3HB ALA 29 3HB ALA 29 -6.102 9.492 -12.594 106 H HIS 30 HN HIS 30 -7.002 5.727 -10.808 107 HA HIS 30 HA HIS 30 -8.402 4.390 -13.007 108 1HB HIS 30 2HB HIS 30 -5.885 3.927 -12.076 109 2HB HIS 30 1HB HIS 30 -6.806 2.721 -11.183 110 HD1 HIS 30 1HD HIS 30 -6.721 0.559 -12.357 111 HD2 HIS 30 2HD HIS 30 -6.868 3.743 -15.022 112 HE1 HIS 30 1HE HIS 30 -6.737 -0.482 -14.646 113 HE2 HIS 30 2HE HIS 30 -6.927 1.462 -16.239 114 H SER 31 HN SER 31 -9.155 2.113 -12.232 115 HA SER 31 HA SER 31 -11.526 2.346 -10.924 116 1HB SER 31 2HB SER 31 -9.712 -0.043 -11.205 117 2HB SER 31 1HB SER 31 -11.323 -0.159 -10.497 118 HG SER 31 HG SER 31 -12.184 0.066 -12.413 119 H SER 32 HN SER 32 -8.797 0.662 -9.376 120 HA SER 32 HA SER 32 -9.970 1.265 -6.784 121 1HB SER 32 2HB SER 32 -7.430 -0.244 -6.900 122 2HB SER 32 1HB SER 32 -8.911 -0.589 -6.008 123 HG SER 32 HG SER 32 -9.530 -1.841 -7.572 124 H GLU 33 HN GLU 33 -8.959 3.571 -8.041 125 HA GLU 33 HA GLU 33 -6.457 4.082 -6.622 126 1HB GLU 33 2HB GLU 33 -7.725 5.151 -9.080 127 2HB GLU 33 1HB GLU 33 -6.694 6.213 -8.156 128 1HG GLU 33 2HG GLU 33 -5.203 3.978 -8.262 129 2HG GLU 33 1HG GLU 33 -6.032 3.946 -9.810 130 H LEU 34 HN LEU 34 -6.212 6.029 -5.451 131 HA LEU 34 HA LEU 34 -8.527 7.653 -4.919 132 1HB LEU 34 2HB LEU 34 -7.953 7.295 -2.375 133 2HB LEU 34 1HB LEU 34 -9.140 6.328 -3.220 134 HG LEU 34 HG LEU 34 -7.072 4.706 -3.598 135 1HD1 LEU 34 1HD1 LEU 34 -6.346 6.346 -1.183 136 2HD1 LEU 34 2HD1 LEU 34 -5.370 6.042 -2.622 137 3HD1 LEU 34 3HD1 LEU 34 -5.714 4.729 -1.494 138 1HD2 LEU 34 1HD2 LEU 34 -9.068 4.052 -2.458 139 2HD2 LEU 34 2HD2 LEU 34 -8.665 5.053 -1.064 140 3HD2 LEU 34 3HD2 LEU 34 -7.696 3.627 -1.434 141 H SER 35 HN SER 35 -7.922 9.460 -3.402 142 HA SER 35 HA SER 35 -5.309 10.398 -4.123 143 1HB SER 35 2HB SER 35 -6.248 12.475 -2.827 144 2HB SER 35 1HB SER 35 -6.790 12.129 -4.468 145 HG SER 35 HG SER 35 -8.351 12.485 -2.507 146 H ILE 36 HN ILE 36 -3.669 10.343 -2.886 147 HA ILE 36 HA ILE 36 -4.013 10.073 0.017 148 HB ILE 36 HB ILE 36 -1.717 8.843 -0.175 149 1HG1 ILE 36 2HG1 ILE 36 -1.657 9.318 -2.687 150 2HG1 ILE 36 1HG1 ILE 36 -1.263 7.687 -2.186 151 1HG2 ILE 36 1HG2 ILE 36 -4.438 7.974 -0.109 152 2HG2 ILE 36 2HG2 ILE 36 -3.017 7.248 0.641 153 3HG2 ILE 36 3HG2 ILE 36 -3.472 6.797 -0.999 154 1HD1 ILE 36 1HD1 ILE 36 -4.039 7.762 -2.683 155 2HD1 ILE 36 2HD1 ILE 36 -2.783 6.919 -3.589 156 3HD1 ILE 36 3HD1 ILE 36 -3.232 8.568 -4.026 157 H GLN 37 HN GLN 37 -2.040 10.728 1.213 158 HA GLN 37 HA GLN 37 -0.565 12.862 -0.102 159 1HB GLN 37 2HB GLN 37 -2.302 12.954 2.279 160 2HB GLN 37 1HB GLN 37 -0.795 13.838 2.380 161 1HG GLN 37 2HG GLN 37 -1.568 15.478 1.104 162 2HG GLN 37 1HG GLN 37 -2.119 14.342 -0.126 163 1HE2 GLN 37 1HE2 GLN 37 -4.238 13.648 -0.117 164 2HE2 GLN 37 2HE2 GLN 37 -5.462 14.392 0.848 165 H VAL 38 HN VAL 38 1.481 13.252 0.616 166 HA VAL 38 HA VAL 38 3.004 11.072 1.499 167 HB VAL 38 HB VAL 38 3.957 12.904 0.204 168 1HG1 VAL 38 1HG1 VAL 38 2.564 14.617 1.627 169 2HG1 VAL 38 2HG1 VAL 38 4.072 15.092 0.848 170 3HG1 VAL 38 3HG1 VAL 38 4.053 14.703 2.568 171 1HG2 VAL 38 1HG2 VAL 38 5.379 11.511 1.770 172 2HG2 VAL 38 2HG2 VAL 38 5.341 12.884 2.877 173 3HG2 VAL 38 3HG2 VAL 38 6.063 13.061 1.278 174 H GLY 39 HN GLY 39 3.336 10.263 3.508 175 1HA GLY 39 2HA GLY 39 4.109 10.732 5.764 176 2HA GLY 39 1HA GLY 39 3.017 12.097 5.801 177 H GLN 40 HN GLN 40 0.888 10.334 4.551 178 HA GLN 40 HA GLN 40 -0.209 9.478 7.011 179 1HB GLN 40 2HB GLN 40 -2.165 9.018 5.807 180 2HB GLN 40 1HB GLN 40 -1.495 10.479 5.146 181 1HG GLN 40 2HG GLN 40 -0.508 9.139 3.350 182 2HG GLN 40 1HG GLN 40 -1.345 7.734 3.991 183 1HE2 GLN 40 1HE2 GLN 40 -3.179 7.278 3.028 184 2HE2 GLN 40 2HE2 GLN 40 -4.216 8.398 2.226 185 H THR 41 HN THR 41 -1.326 7.313 7.133 186 HA THR 41 HA THR 41 0.508 5.220 6.162 187 HB THR 41 HB THR 41 -0.833 5.432 8.854 188 HG1 THR 41 1HG THR 41 1.849 4.782 8.254 189 1HG2 THR 41 1HG2 THR 41 0.025 2.968 7.423 190 2HG2 THR 41 2HG2 THR 41 -1.245 3.194 8.624 191 3HG2 THR 41 3HG2 THR 41 0.441 3.104 9.132 192 H VAL 42 HN VAL 42 -0.376 3.880 4.828 193 HA VAL 42 HA VAL 42 -3.058 2.929 5.366 194 HB VAL 42 HB VAL 42 -2.305 4.458 2.955 195 1HG1 VAL 42 1HG1 VAL 42 -3.651 1.811 2.821 196 2HG1 VAL 42 2HG1 VAL 42 -2.431 2.474 1.765 197 3HG1 VAL 42 3HG1 VAL 42 -4.089 3.076 1.680 198 1HG2 VAL 42 1HG2 VAL 42 -4.901 4.559 2.929 199 2HG2 VAL 42 2HG2 VAL 42 -4.014 5.431 4.178 200 3HG2 VAL 42 3HG2 VAL 42 -4.765 3.880 4.551 201 H GLU 43 HN GLU 43 -3.305 0.847 4.977 202 HA GLU 43 HA GLU 43 -0.943 -0.691 4.694 203 1HB GLU 43 2HB GLU 43 -2.379 -2.611 5.118 204 2HB GLU 43 1HB GLU 43 -2.731 -1.316 6.253 205 1HG GLU 43 2HG GLU 43 -4.604 -0.644 4.670 206 2HG GLU 43 1HG GLU 43 -4.341 -2.197 3.878 207 H LEU 44 HN LEU 44 -0.144 -1.696 2.929 208 HA LEU 44 HA LEU 44 -1.375 -1.270 0.414 209 1HB LEU 44 2HB LEU 44 0.459 -2.707 -0.445 210 2HB LEU 44 1HB LEU 44 0.953 -1.267 0.385 211 HG LEU 44 HG LEU 44 0.973 -3.181 2.386 212 1HD1 LEU 44 1HD1 LEU 44 2.410 -4.490 0.136 213 2HD1 LEU 44 2HD1 LEU 44 0.681 -4.775 0.339 214 3HD1 LEU 44 3HD1 LEU 44 1.800 -5.177 1.641 215 1HD2 LEU 44 1HD2 LEU 44 3.503 -2.882 0.937 216 2HD2 LEU 44 2HD2 LEU 44 3.105 -2.523 2.617 217 3HD2 LEU 44 3HD2 LEU 44 2.702 -1.365 1.348 218 H LEU 45 HN LEU 45 -2.151 -2.683 -0.999 219 HA LEU 45 HA LEU 45 -3.693 -4.832 0.102 220 1HB LEU 45 2HB LEU 45 -3.353 -4.329 -2.835 221 2HB LEU 45 1HB LEU 45 -4.735 -4.996 -1.996 222 HG LEU 45 HG LEU 45 -3.910 -2.122 -1.614 223 1HD1 LEU 45 1HD1 LEU 45 -5.194 -3.396 -3.935 224 2HD1 LEU 45 2HD1 LEU 45 -4.362 -1.848 -3.810 225 3HD1 LEU 45 3HD1 LEU 45 -6.037 -1.990 -3.292 226 1HD2 LEU 45 1HD2 LEU 45 -6.201 -1.834 -0.935 227 2HD2 LEU 45 2HD2 LEU 45 -5.462 -3.129 0.006 228 3HD2 LEU 45 3HD2 LEU 45 -6.559 -3.517 -1.318 229 H GLU 46 HN GLU 46 -1.157 -4.726 -2.444 230 HA GLU 46 HA GLU 46 -0.329 -7.369 -1.586 231 1HB GLU 46 2HB GLU 46 -0.250 -8.154 -3.857 232 2HB GLU 46 1HB GLU 46 -1.867 -7.590 -3.515 233 1HG GLU 46 2HG GLU 46 -1.765 -5.967 -5.045 234 2HG GLU 46 1HG GLU 46 -0.077 -5.593 -4.700 235 H ARG 47 HN ARG 47 1.597 -7.566 -3.758 236 HA ARG 47 HA ARG 47 3.374 -5.295 -3.245 237 1HB ARG 47 2HB ARG 47 3.738 -8.087 -2.402 238 2HB ARG 47 1HB ARG 47 5.126 -7.403 -3.235 239 1HG ARG 47 2HG ARG 47 5.597 -5.958 -1.558 240 2HG ARG 47 1HG ARG 47 3.903 -5.752 -1.110 241 1HD ARG 47 2HD ARG 47 4.811 -6.922 0.689 242 2HD ARG 47 1HD ARG 47 4.038 -8.177 -0.278 243 HE ARG 47 HE ARG 47 6.669 -8.010 -1.133 244 1HH1 ARG 47 1HH1 ARG 47 4.974 -8.824 1.817 245 2HH1 ARG 47 2HH1 ARG 47 6.205 -9.911 2.365 246 1HH2 ARG 47 1HH2 ARG 47 8.280 -9.439 -0.406 247 2HH2 ARG 47 2HH2 ARG 47 8.078 -10.259 1.107 248 HA PRO 48 HA PRO 48 4.644 -5.461 -7.481 249 1HB PRO 48 2HB PRO 48 7.382 -5.658 -7.387 250 2HB PRO 48 1HB PRO 48 6.480 -4.159 -7.150 251 1HG PRO 48 2HG PRO 48 7.641 -6.018 -5.115 252 2HG PRO 48 1HG PRO 48 7.632 -4.244 -5.139 253 1HD PRO 48 2HD PRO 48 5.932 -5.626 -3.604 254 2HD PRO 48 1HD PRO 48 5.440 -4.119 -4.400 255 H SER 49 HN SER 49 3.615 -7.721 -7.418 256 HA SER 49 HA SER 49 5.476 -9.922 -7.551 257 1HB SER 49 2HB SER 49 2.491 -9.729 -7.836 258 2HB SER 49 1HB SER 49 3.367 -11.231 -8.130 259 HG SER 49 HG SER 49 4.152 -11.095 -5.983 260 H GLU 50 HN GLU 50 3.287 -8.281 -9.726 261 HA GLU 50 HA GLU 50 4.455 -9.616 -12.015 262 1HB GLU 50 2HB GLU 50 2.561 -8.839 -13.212 263 2HB GLU 50 1HB GLU 50 1.996 -9.479 -11.691 264 1HG GLU 50 2HG GLU 50 2.034 -7.113 -10.843 265 2HG GLU 50 1HG GLU 50 2.238 -6.628 -12.526 266 H ARG 51 HN ARG 51 3.983 -6.466 -10.607 267 HA ARG 51 HA ARG 51 5.862 -5.328 -12.571 268 1HB ARG 51 2HB ARG 51 4.802 -3.093 -11.568 269 2HB ARG 51 1HB ARG 51 4.099 -3.934 -12.940 270 1HG ARG 51 2HG ARG 51 2.608 -5.117 -11.277 271 2HG ARG 51 1HG ARG 51 3.190 -3.965 -10.083 272 1HD ARG 51 2HD ARG 51 1.032 -3.328 -11.164 273 2HD ARG 51 1HD ARG 51 2.310 -2.124 -11.319 274 HE ARG 51 HE ARG 51 2.154 -3.937 -13.544 275 1HH1 ARG 51 1HH1 ARG 51 0.917 -0.953 -12.199 276 2HH1 ARG 51 2HH1 ARG 51 0.446 -0.316 -13.739 277 1HH2 ARG 51 1HH2 ARG 51 1.531 -3.091 -15.562 278 2HH2 ARG 51 2HH2 ARG 51 0.794 -1.527 -15.643 279 HA PRO 52 HA PRO 52 8.296 -4.688 -8.855 280 1HB PRO 52 2HB PRO 52 10.664 -4.385 -10.029 281 2HB PRO 52 1HB PRO 52 9.829 -5.942 -10.084 282 1HG PRO 52 2HG PRO 52 10.202 -3.927 -12.221 283 2HG PRO 52 1HG PRO 52 9.983 -5.679 -12.352 284 1HD PRO 52 2HD PRO 52 7.998 -3.619 -12.640 285 2HD PRO 52 1HD PRO 52 7.779 -5.375 -12.757 286 H GLY 53 HN GLY 53 8.033 -2.828 -7.797 287 1HA GLY 53 2HA GLY 53 9.229 -0.693 -7.438 288 2HA GLY 53 1HA GLY 53 8.930 -0.353 -9.129 289 H TRP 54 HN TRP 54 6.222 -1.814 -8.133 290 HA TRP 54 HA TRP 54 4.914 0.684 -7.573 291 1HB TRP 54 2HB TRP 54 3.121 -0.034 -8.765 292 2HB TRP 54 1HB TRP 54 4.390 -0.907 -9.577 293 HD1 TRP 54 1HD TRP 54 4.638 -3.297 -7.408 294 HE1 TRP 54 1HE TRP 54 2.748 -5.068 -7.320 295 HE3 TRP 54 3HE TRP 54 0.967 -0.612 -9.636 296 HZ2 TRP 54 2HZ TRP 54 0.034 -5.269 -8.124 297 HZ3 TRP 54 3HZ TRP 54 -1.256 -1.638 -9.961 298 HH2 TRP 54 2HH TRP 54 -1.711 -3.920 -9.211 299 H CYS 55 HN CYS 55 2.903 0.598 -6.226 300 HA CYS 55 HA CYS 55 2.706 -1.553 -4.324 301 1HB CYS 55 2HB CYS 55 4.400 0.486 -3.589 302 2HB CYS 55 1HB CYS 55 2.917 0.884 -2.755 303 HG CYS 55 HG CYS 55 4.577 -1.692 -2.285 304 H LEU 56 HN LEU 56 0.894 -1.430 -2.977 305 HA LEU 56 HA LEU 56 -1.223 0.284 -4.063 306 1HB LEU 56 2HB LEU 56 -1.136 -2.498 -3.006 307 2HB LEU 56 1HB LEU 56 -2.628 -1.602 -2.975 308 HG LEU 56 HG LEU 56 -2.793 -1.530 -5.313 309 1HD1 LEU 56 1HD1 LEU 56 -0.859 -2.435 -6.739 310 2HD1 LEU 56 2HD1 LEU 56 0.143 -2.179 -5.310 311 3HD1 LEU 56 3HD1 LEU 56 -0.687 -0.816 -6.060 312 1HD2 LEU 56 1HD2 LEU 56 -1.795 -4.117 -4.238 313 2HD2 LEU 56 2HD2 LEU 56 -2.134 -3.968 -5.963 314 3HD2 LEU 56 3HD2 LEU 56 -3.410 -3.670 -4.783 315 H VAL 57 HN VAL 57 -2.971 0.921 -2.588 316 HA VAL 57 HA VAL 57 -2.178 1.038 0.235 317 HB VAL 57 HB VAL 57 -3.157 3.503 0.057 318 1HG1 VAL 57 1HG1 VAL 57 -1.102 3.654 0.924 319 2HG1 VAL 57 2HG1 VAL 57 -0.580 4.021 -0.717 320 3HG1 VAL 57 3HG1 VAL 57 -0.478 2.369 -0.110 321 1HG2 VAL 57 1HG2 VAL 57 -1.702 3.617 -2.498 322 2HG2 VAL 57 2HG2 VAL 57 -3.058 4.581 -1.913 323 3HG2 VAL 57 3HG2 VAL 57 -3.338 2.961 -2.547 324 H ARG 58 HN ARG 58 -3.852 0.463 1.553 325 HA ARG 58 HA ARG 58 -6.561 0.495 0.455 326 1HB ARG 58 2HB ARG 58 -6.108 -1.672 1.198 327 2HB ARG 58 1HB ARG 58 -5.209 -1.104 2.581 328 1HG ARG 58 2HG ARG 58 -7.249 -2.139 3.313 329 2HG ARG 58 1HG ARG 58 -7.306 -0.411 3.658 330 1HD ARG 58 2HD ARG 58 -9.351 -1.661 2.587 331 2HD ARG 58 1HD ARG 58 -8.948 -0.023 2.120 332 HE ARG 58 HE ARG 58 -7.853 -0.938 0.145 333 1HH1 ARG 58 1HH1 ARG 58 -10.171 -3.044 1.796 334 2HH1 ARG 58 2HH1 ARG 58 -10.374 -4.068 0.425 335 1HH2 ARG 58 1HH2 ARG 58 -8.156 -2.355 -1.618 336 2HH2 ARG 58 2HH2 ARG 58 -9.252 -3.684 -1.490 337 H THR 59 HN THR 59 -8.253 1.638 1.444 338 HA THR 59 HA THR 59 -7.419 3.546 3.484 339 HB THR 59 HB THR 59 -9.617 3.416 1.472 340 HG1 THR 59 1HG THR 59 -7.566 4.263 0.889 341 1HG2 THR 59 1HG2 THR 59 -9.485 5.278 3.797 342 2HG2 THR 59 2HG2 THR 59 -10.865 4.367 3.180 343 3HG2 THR 59 3HG2 THR 59 -10.240 5.745 2.273 344 H THR 60 HN THR 60 -8.043 3.300 5.530 345 HA THR 60 HA THR 60 -10.284 1.471 6.084 346 HB THR 60 HB THR 60 -8.334 1.853 8.245 347 HG1 THR 60 1HG THR 60 -6.676 1.535 7.003 348 1HG2 THR 60 1HG2 THR 60 -9.898 0.170 8.622 349 2HG2 THR 60 2HG2 THR 60 -8.424 -0.684 8.166 350 3HG2 THR 60 3HG2 THR 60 -9.724 -0.479 6.992 351 H GLU 61 HN GLU 61 -9.142 4.668 6.437 352 HA GLU 61 HA GLU 61 -10.690 5.196 8.824 353 1HB GLU 61 2HB GLU 61 -8.434 6.336 7.883 354 2HB GLU 61 1HB GLU 61 -9.629 7.459 7.247 355 1HG GLU 61 2HG GLU 61 -9.434 8.475 9.219 356 2HG GLU 61 1HG GLU 61 -10.463 7.177 9.819 357 H ARG 62 HN ARG 62 -11.744 4.500 5.965 358 HA ARG 62 HA ARG 62 -14.019 6.274 6.112 359 1HB ARG 62 2HB ARG 62 -12.030 6.140 3.932 360 2HB ARG 62 1HB ARG 62 -13.706 6.066 3.420 361 1HG ARG 62 2HG ARG 62 -13.879 8.132 5.091 362 2HG ARG 62 1HG ARG 62 -12.184 8.284 4.626 363 1HD ARG 62 2HD ARG 62 -12.682 8.746 2.438 364 2HD ARG 62 1HD ARG 62 -14.203 7.857 2.484 365 HE ARG 62 HE ARG 62 -13.785 10.629 3.145 366 1HH1 ARG 62 1HH1 ARG 62 -15.891 7.864 3.551 367 2HH1 ARG 62 2HH1 ARG 62 -17.283 8.828 3.912 368 1HH2 ARG 62 1HH2 ARG 62 -15.620 11.885 3.620 369 2HH2 ARG 62 2HH2 ARG 62 -17.130 11.106 3.950 370 H SER 63 HN SER 63 -15.311 4.601 6.763 371 HA SER 63 HA SER 63 -15.236 2.052 5.425 372 1HB SER 63 2HB SER 63 -17.323 2.935 7.411 373 2HB SER 63 1HB SER 63 -16.770 1.297 7.064 374 HG SER 63 HG SER 63 -15.940 2.466 9.031 375 HA PRO 64 HA PRO 64 -16.281 0.357 4.547 376 1HB PRO 64 2HB PRO 64 -16.641 0.049 1.666 377 2HB PRO 64 1HB PRO 64 -17.290 -0.933 2.981 378 1HG PRO 64 2HG PRO 64 -18.842 0.659 1.441 379 2HG PRO 64 1HG PRO 64 -19.214 0.310 3.138 380 1HD PRO 64 2HD PRO 64 -17.932 2.740 1.935 381 2HD PRO 64 1HD PRO 64 -19.171 2.633 3.204 382 HA PRO 65 HA PRO 65 -12.084 1.374 3.467 383 1HB PRO 65 2HB PRO 65 -12.045 -1.303 2.153 384 2HB PRO 65 1HB PRO 65 -10.891 -0.581 3.282 385 1HG PRO 65 2HG PRO 65 -12.646 -2.422 4.102 386 2HG PRO 65 1HG PRO 65 -12.198 -1.051 5.132 387 1HD PRO 65 2HD PRO 65 -14.715 -1.556 3.645 388 2HD PRO 65 1HD PRO 65 -14.449 -0.635 5.137 389 H GLN 66 HN GLN 66 -10.723 1.768 1.708 390 HA GLN 66 HA GLN 66 -11.962 1.695 -0.915 391 1HB GLN 66 2HB GLN 66 -11.295 4.000 0.678 392 2HB GLN 66 1HB GLN 66 -10.327 3.982 -0.775 393 1HG GLN 66 2HG GLN 66 -12.408 3.743 -2.092 394 2HG GLN 66 1HG GLN 66 -13.312 3.929 -0.590 395 1HE2 GLN 66 1HE2 GLN 66 -10.474 5.581 -1.939 396 2HE2 GLN 66 2HE2 GLN 66 -11.132 7.174 -1.822 397 H GLU 67 HN GLU 67 -10.066 2.102 -2.629 398 HA GLU 67 HA GLU 67 -7.612 0.941 -1.547 399 1HB GLU 67 2HB GLU 67 -8.240 -0.123 -4.191 400 2HB GLU 67 1HB GLU 67 -7.617 -0.927 -2.774 401 1HG GLU 67 2HG GLU 67 -9.633 -1.993 -3.122 402 2HG GLU 67 1HG GLU 67 -10.041 -0.790 -1.901 403 H GLY 68 HN GLY 68 -5.749 1.307 -2.693 404 1HA GLY 68 2HA GLY 68 -5.950 3.287 -4.881 405 2HA GLY 68 1HA GLY 68 -4.967 3.643 -3.477 406 H LEU 69 HN LEU 69 -4.152 3.501 -6.227 407 HA LEU 69 HA LEU 69 -2.062 1.474 -5.938 408 1HB LEU 69 2HB LEU 69 -3.982 1.797 -8.172 409 2HB LEU 69 1HB LEU 69 -2.318 1.436 -8.596 410 HG LEU 69 HG LEU 69 -2.489 -0.498 -6.946 411 1HD1 LEU 69 1HD1 LEU 69 -5.085 -1.217 -7.082 412 2HD1 LEU 69 2HD1 LEU 69 -5.247 0.532 -6.925 413 3HD1 LEU 69 3HD1 LEU 69 -4.367 -0.385 -5.704 414 1HD2 LEU 69 1HD2 LEU 69 -4.370 -1.015 -9.166 415 2HD2 LEU 69 2HD2 LEU 69 -2.913 -1.884 -8.687 416 3HD2 LEU 69 3HD2 LEU 69 -2.783 -0.380 -9.600 417 H VAL 70 HN VAL 70 -0.093 2.170 -6.311 418 HA VAL 70 HA VAL 70 0.520 4.311 -8.117 419 HB VAL 70 HB VAL 70 1.838 5.365 -5.951 420 1HG1 VAL 70 1HG1 VAL 70 0.447 6.410 -7.846 421 2HG1 VAL 70 2HG1 VAL 70 0.586 7.281 -6.317 422 3HG1 VAL 70 3HG1 VAL 70 -0.880 6.371 -6.685 423 1HG2 VAL 70 1HG2 VAL 70 -0.902 5.243 -4.839 424 2HG2 VAL 70 2HG2 VAL 70 0.653 5.378 -4.019 425 3HG2 VAL 70 3HG2 VAL 70 0.109 3.815 -4.622 426 HA PRO 71 HA PRO 71 4.313 2.163 -7.757 427 1HB PRO 71 2HB PRO 71 6.234 3.928 -8.384 428 2HB PRO 71 1HB PRO 71 5.052 3.332 -9.553 429 1HG PRO 71 2HG PRO 71 5.247 5.984 -8.288 430 2HG PRO 71 1HG PRO 71 4.402 5.508 -9.768 431 1HD PRO 71 2HD PRO 71 3.303 5.909 -7.134 432 2HD PRO 71 1HD PRO 71 2.448 5.495 -8.622 433 H SER 72 HN SER 72 6.220 1.720 -6.593 434 HA SER 72 HA SER 72 6.188 2.094 -3.897 435 1HB SER 72 2HB SER 72 7.580 0.379 -4.690 436 2HB SER 72 1HB SER 72 8.434 1.455 -5.794 437 HG SER 72 HG SER 72 9.845 1.589 -4.253 438 H SER 73 HN SER 73 7.438 4.283 -6.305 439 HA SER 73 HA SER 73 9.156 5.826 -4.729 440 1HB SER 73 2HB SER 73 8.677 5.931 -7.286 441 2HB SER 73 1HB SER 73 7.402 7.064 -6.836 442 HG SER 73 HG SER 73 9.550 7.971 -7.333 443 H THR 74 HN THR 74 5.664 5.728 -4.930 444 HA THR 74 HA THR 74 5.452 8.013 -3.103 445 HB THR 74 HB THR 74 3.429 8.471 -4.035 446 HG1 THR 74 1HG THR 74 2.274 6.672 -3.586 447 1HG2 THR 74 1HG2 THR 74 4.932 8.576 -5.897 448 2HG2 THR 74 2HG2 THR 74 3.357 7.997 -6.426 449 3HG2 THR 74 3HG2 THR 74 4.690 6.866 -6.210 450 H LEU 75 HN LEU 75 5.757 4.783 -2.831 451 HA LEU 75 HA LEU 75 4.061 4.673 -0.467 452 1HB LEU 75 2HB LEU 75 4.394 2.464 -2.480 453 2HB LEU 75 1HB LEU 75 3.464 2.384 -1.009 454 HG LEU 75 HG LEU 75 2.410 4.572 -2.389 455 1HD1 LEU 75 1HD1 LEU 75 3.552 2.678 -4.254 456 2HD1 LEU 75 2HD1 LEU 75 2.808 4.248 -4.553 457 3HD1 LEU 75 3HD1 LEU 75 1.806 2.805 -4.455 458 1HD2 LEU 75 1HD2 LEU 75 1.205 1.824 -2.490 459 2HD2 LEU 75 2HD2 LEU 75 0.403 3.382 -2.315 460 3HD2 LEU 75 3HD2 LEU 75 1.329 2.712 -0.971 461 H CYS 76 HN CYS 76 5.065 3.856 1.242 462 HA CYS 76 HA CYS 76 7.827 3.461 1.328 463 1HB CYS 76 2HB CYS 76 6.141 3.916 3.256 464 2HB CYS 76 1HB CYS 76 6.010 2.163 3.335 465 HG CYS 76 HG CYS 76 8.860 3.278 3.577 466 H ILE 77 HN ILE 77 9.108 1.777 0.878 467 HA ILE 77 HA ILE 77 7.917 -0.896 0.726 468 HB ILE 77 HB ILE 77 8.970 -1.403 -1.359 469 1HG1 ILE 77 2HG1 ILE 77 11.024 -0.036 -1.047 470 2HG1 ILE 77 1HG1 ILE 77 10.304 0.175 -2.638 471 1HG2 ILE 77 1HG2 ILE 77 7.524 -0.286 -2.741 472 2HG2 ILE 77 2HG2 ILE 77 7.820 1.270 -1.973 473 3HG2 ILE 77 3HG2 ILE 77 6.806 0.075 -1.172 474 1HD1 ILE 77 1HD1 ILE 77 10.732 2.105 -0.491 475 2HD1 ILE 77 2HD1 ILE 77 9.134 2.187 -1.233 476 3HD1 ILE 77 3HD1 ILE 77 10.579 2.350 -2.230 477 H SER 78 HN SER 78 9.695 -2.606 0.465 478 HA SER 78 HA SER 78 11.488 -3.680 1.359 479 1HB SER 78 2HB SER 78 12.847 -0.988 1.521 480 2HB SER 78 1HB SER 78 13.599 -2.573 1.343 481 HG SER 78 HG SER 78 13.428 -2.309 -0.724 482 H HIS 79 HN HIS 79 13.260 -3.242 3.303 483 HA HIS 79 HA HIS 79 12.030 -1.926 5.565 484 1HB HIS 79 2HB HIS 79 11.118 -4.395 5.222 485 2HB HIS 79 1HB HIS 79 12.632 -4.814 6.017 486 HD1 HIS 79 1HD HIS 79 9.821 -5.289 7.306 487 HD2 HIS 79 2HD HIS 79 12.286 -2.030 8.060 488 HE1 HIS 79 1HE HIS 79 9.122 -4.426 9.562 489 HE2 HIS 79 2HE HIS 79 10.569 -2.402 9.958 490 H SER 80 HN SER 80 14.473 -1.568 4.154 491 HA SER 80 HA SER 80 16.646 -2.787 5.516 492 1HB SER 80 2HB SER 80 16.809 -0.127 4.114 493 2HB SER 80 1HB SER 80 18.046 -1.376 4.251 494 HG SER 80 HG SER 80 17.282 -2.254 2.513 Start of MODEL 20 1 H SER 14 HN SER 14 -7.873 -15.970 3.804 2 HA SER 14 HA SER 14 -6.249 -16.497 5.298 3 1HB SER 14 2HB SER 14 -5.033 -17.485 3.474 4 2HB SER 14 1HB SER 14 -4.467 -15.908 2.926 5 HG SER 14 HG SER 14 -3.725 -17.337 5.247 6 H GLY 15 HN GLY 15 -4.378 -14.021 3.568 7 1HA GLY 15 2HA GLY 15 -4.927 -11.792 5.073 8 2HA GLY 15 1HA GLY 15 -3.744 -12.684 6.019 9 H GLY 16 HN GLY 16 -4.262 -10.600 3.355 10 1HA GLY 16 2HA GLY 16 -1.357 -10.587 2.852 11 2HA GLY 16 1HA GLY 16 -2.490 -10.608 1.509 12 H CYS 17 HN CYS 17 -2.122 -8.769 4.542 13 HA CYS 17 HA CYS 17 -2.199 -6.303 2.970 14 1HB CYS 17 2HB CYS 17 -3.525 -5.348 5.011 15 2HB CYS 17 1HB CYS 17 -4.376 -6.209 3.739 16 HG CYS 17 HG CYS 17 -3.689 -8.088 5.990 17 H GLU 18 HN GLU 18 -0.669 -4.902 3.508 18 HA GLU 18 HA GLU 18 0.643 -5.197 6.125 19 1HB GLU 18 2HB GLU 18 2.091 -6.203 4.444 20 2HB GLU 18 1HB GLU 18 2.011 -4.747 3.466 21 1HG GLU 18 2HG GLU 18 3.365 -3.550 4.912 22 2HG GLU 18 1HG GLU 18 3.045 -4.633 6.266 23 H LEU 19 HN LEU 19 1.451 -3.287 7.020 24 HA LEU 19 HA LEU 19 0.002 -0.938 6.215 25 1HB LEU 19 2HB LEU 19 2.171 -0.749 8.223 26 2HB LEU 19 1HB LEU 19 0.622 0.058 8.178 27 HG LEU 19 HG LEU 19 1.159 -2.782 9.013 28 1HD1 LEU 19 1HD1 LEU 19 -0.304 -0.800 10.660 29 2HD1 LEU 19 2HD1 LEU 19 1.444 -0.618 10.510 30 3HD1 LEU 19 3HD1 LEU 19 0.765 -2.114 11.151 31 1HD2 LEU 19 1HD2 LEU 19 -1.478 -1.373 8.624 32 2HD2 LEU 19 2HD2 LEU 19 -1.270 -2.928 9.431 33 3HD2 LEU 19 3HD2 LEU 19 -0.884 -2.765 7.717 34 H THR 20 HN THR 20 0.721 0.805 5.178 35 HA THR 20 HA THR 20 3.562 1.046 4.551 36 HB THR 20 HB THR 20 1.324 1.060 2.519 37 HG1 THR 20 1HG THR 20 3.505 -0.689 2.962 38 1HG2 THR 20 1HG2 THR 20 2.701 2.562 1.525 39 2HG2 THR 20 2HG2 THR 20 3.441 1.062 0.968 40 3HG2 THR 20 3HG2 THR 20 4.145 1.941 2.325 41 H VAL 21 HN VAL 21 4.210 3.153 3.909 42 HA VAL 21 HA VAL 21 2.265 5.273 4.526 43 HB VAL 21 HB VAL 21 4.478 6.580 5.128 44 1HG1 VAL 21 1HG1 VAL 21 2.869 6.555 6.761 45 2HG1 VAL 21 2HG1 VAL 21 4.165 5.648 7.544 46 3HG1 VAL 21 3HG1 VAL 21 2.801 4.794 6.820 47 1HG2 VAL 21 1HG2 VAL 21 5.976 5.035 6.478 48 2HG2 VAL 21 2HG2 VAL 21 6.139 4.967 4.725 49 3HG2 VAL 21 3HG2 VAL 21 5.243 3.710 5.576 50 H VAL 22 HN VAL 22 1.906 6.556 2.835 51 HA VAL 22 HA VAL 22 3.367 6.267 0.455 52 HB VAL 22 HB VAL 22 2.055 8.498 -0.104 53 1HG1 VAL 22 1HG1 VAL 22 1.418 5.666 -0.186 54 2HG1 VAL 22 2HG1 VAL 22 1.335 6.888 -1.454 55 3HG1 VAL 22 3HG1 VAL 22 0.007 6.717 -0.308 56 1HG2 VAL 22 1HG2 VAL 22 1.299 8.738 2.284 57 2HG2 VAL 22 2HG2 VAL 22 0.271 7.332 2.001 58 3HG2 VAL 22 3HG2 VAL 22 0.030 8.804 1.061 59 H LEU 23 HN LEU 23 5.064 7.292 -0.315 60 HA LEU 23 HA LEU 23 6.436 9.154 1.347 61 1HB LEU 23 2HB LEU 23 7.364 8.532 -1.416 62 2HB LEU 23 1HB LEU 23 8.306 8.799 0.038 63 HG LEU 23 HG LEU 23 6.764 6.306 -0.684 64 1HD1 LEU 23 1HD1 LEU 23 9.685 6.983 -0.501 65 2HD1 LEU 23 2HD1 LEU 23 8.791 6.344 -1.879 66 3HD1 LEU 23 3HD1 LEU 23 9.089 5.323 -0.473 67 1HD2 LEU 23 1HD2 LEU 23 6.516 6.566 1.661 68 2HD2 LEU 23 2HD2 LEU 23 8.194 7.075 1.851 69 3HD2 LEU 23 3HD2 LEU 23 7.822 5.407 1.418 70 H GLN 24 HN GLN 24 4.394 9.388 -1.450 71 HA GLN 24 HA GLN 24 4.750 12.274 -1.387 72 1HB GLN 24 2HB GLN 24 5.171 12.475 -3.687 73 2HB GLN 24 1HB GLN 24 6.197 11.166 -3.146 74 1HG GLN 24 2HG GLN 24 5.095 9.609 -4.312 75 2HG GLN 24 1HG GLN 24 3.554 10.457 -4.266 76 1HE2 GLN 24 1HE2 GLN 24 6.712 10.345 -5.777 77 2HE2 GLN 24 2HE2 GLN 24 6.265 11.192 -7.216 78 H ASP 25 HN ASP 25 2.926 13.458 -2.228 79 HA ASP 25 HA ASP 25 0.446 12.181 -1.678 80 1HB ASP 25 2HB ASP 25 0.065 14.583 -3.260 81 2HB ASP 25 1HB ASP 25 -0.436 14.234 -1.625 82 H PHE 26 HN PHE 26 -1.193 11.647 -3.067 83 HA PHE 26 HA PHE 26 -0.680 11.678 -5.929 84 1HB PHE 26 2HB PHE 26 0.196 9.510 -5.017 85 2HB PHE 26 1HB PHE 26 -1.445 9.108 -4.561 86 HD1 PHE 26 1HD PHE 26 0.764 9.787 -7.426 87 HD2 PHE 26 2HD PHE 26 -3.031 8.353 -6.141 88 HE1 PHE 26 1HE PHE 26 0.335 8.915 -9.685 89 HE2 PHE 26 2HE PHE 26 -3.466 7.478 -8.397 90 HZ PHE 26 HZ PHE 26 -1.782 7.757 -10.173 91 H SER 27 HN SER 27 -2.533 11.322 -7.202 92 HA SER 27 HA SER 27 -5.061 11.446 -5.753 93 1HB SER 27 2HB SER 27 -5.616 12.831 -7.972 94 2HB SER 27 1HB SER 27 -4.991 13.596 -6.523 95 HG SER 27 HG SER 27 -3.623 12.901 -8.887 96 H ALA 28 HN ALA 28 -6.608 10.147 -6.562 97 HA ALA 28 HA ALA 28 -6.052 7.920 -7.983 98 1HB ALA 28 1HB ALA 28 -8.778 9.115 -8.099 99 2HB ALA 28 2HB ALA 28 -8.096 8.552 -6.581 100 3HB ALA 28 3HB ALA 28 -8.312 7.428 -7.918 101 H ALA 29 HN ALA 29 -7.682 7.340 -9.905 102 HA ALA 29 HA ALA 29 -8.202 8.995 -12.027 103 1HB ALA 29 1HB ALA 29 -6.076 8.116 -13.440 104 2HB ALA 29 2HB ALA 29 -5.333 8.322 -11.853 105 3HB ALA 29 3HB ALA 29 -6.135 9.684 -12.634 106 H HIS 30 HN HIS 30 -7.061 5.870 -10.930 107 HA HIS 30 HA HIS 30 -8.425 4.584 -13.179 108 1HB HIS 30 2HB HIS 30 -5.930 4.087 -12.024 109 2HB HIS 30 1HB HIS 30 -6.947 2.754 -11.487 110 HD1 HIS 30 1HD HIS 30 -7.346 0.917 -13.131 111 HD2 HIS 30 2HD HIS 30 -5.833 4.345 -14.928 112 HE1 HIS 30 1HE HIS 30 -6.867 0.271 -15.513 113 HE2 HIS 30 2HE HIS 30 -5.868 2.336 -16.557 114 H SER 31 HN SER 31 -9.182 2.281 -12.456 115 HA SER 31 HA SER 31 -11.582 2.447 -11.223 116 1HB SER 31 2HB SER 31 -11.158 -0.076 -10.641 117 2HB SER 31 1HB SER 31 -11.249 0.443 -12.324 118 HG SER 31 HG SER 31 -9.366 -0.492 -12.443 119 H SER 32 HN SER 32 -8.986 0.734 -9.506 120 HA SER 32 HA SER 32 -10.235 1.488 -6.992 121 1HB SER 32 2HB SER 32 -8.243 -0.067 -6.166 122 2HB SER 32 1HB SER 32 -9.720 -0.748 -6.849 123 HG SER 32 HG SER 32 -7.484 -1.397 -7.681 124 H GLU 33 HN GLU 33 -9.097 3.714 -8.215 125 HA GLU 33 HA GLU 33 -6.585 4.126 -6.781 126 1HB GLU 33 2HB GLU 33 -7.821 5.267 -9.223 127 2HB GLU 33 1HB GLU 33 -6.762 6.292 -8.285 128 1HG GLU 33 2HG GLU 33 -5.283 4.093 -8.390 129 2HG GLU 33 1HG GLU 33 -6.164 3.954 -9.905 130 H LEU 34 HN LEU 34 -6.275 5.976 -5.528 131 HA LEU 34 HA LEU 34 -8.518 7.694 -4.955 132 1HB LEU 34 2HB LEU 34 -7.899 7.262 -2.424 133 2HB LEU 34 1HB LEU 34 -9.151 6.385 -3.267 134 HG LEU 34 HG LEU 34 -7.206 4.658 -3.733 135 1HD1 LEU 34 1HD1 LEU 34 -5.400 5.917 -2.800 136 2HD1 LEU 34 2HD1 LEU 34 -5.735 4.558 -1.726 137 3HD1 LEU 34 3HD1 LEU 34 -6.289 6.177 -1.299 138 1HD2 LEU 34 1HD2 LEU 34 -7.789 3.629 -1.489 139 2HD2 LEU 34 2HD2 LEU 34 -9.144 4.024 -2.546 140 3HD2 LEU 34 3HD2 LEU 34 -8.752 5.075 -1.186 141 H SER 35 HN SER 35 -7.896 9.449 -3.460 142 HA SER 35 HA SER 35 -5.281 10.406 -4.142 143 1HB SER 35 2HB SER 35 -6.318 12.449 -2.775 144 2HB SER 35 1HB SER 35 -6.716 12.162 -4.467 145 HG SER 35 HG SER 35 -8.223 11.390 -2.190 146 H ILE 36 HN ILE 36 -3.665 10.574 -2.852 147 HA ILE 36 HA ILE 36 -4.027 10.240 0.038 148 HB ILE 36 HB ILE 36 -1.980 8.836 0.094 149 1HG1 ILE 36 2HG1 ILE 36 -1.638 7.734 -2.323 150 2HG1 ILE 36 1HG1 ILE 36 -2.177 9.324 -2.829 151 1HG2 ILE 36 1HG2 ILE 36 -4.481 7.986 -1.295 152 2HG2 ILE 36 2HG2 ILE 36 -3.865 7.529 0.293 153 3HG2 ILE 36 3HG2 ILE 36 -3.148 6.839 -1.162 154 1HD1 ILE 36 1HD1 ILE 36 0.101 8.903 -0.930 155 2HD1 ILE 36 2HD1 ILE 36 -0.351 10.379 -1.779 156 3HD1 ILE 36 3HD1 ILE 36 0.298 9.010 -2.679 157 H GLN 37 HN GLN 37 -2.000 10.859 1.217 158 HA GLN 37 HA GLN 37 -0.596 13.047 -0.114 159 1HB GLN 37 2HB GLN 37 -2.134 12.975 2.414 160 2HB GLN 37 1HB GLN 37 -0.643 13.891 2.425 161 1HG GLN 37 2HG GLN 37 -1.721 15.599 1.522 162 2HG GLN 37 1HG GLN 37 -1.987 14.627 0.077 163 1HE2 GLN 37 1HE2 GLN 37 -3.758 16.586 0.858 164 2HE2 GLN 37 2HE2 GLN 37 -5.240 15.852 1.358 165 H VAL 38 HN VAL 38 1.476 13.599 0.852 166 HA VAL 38 HA VAL 38 3.041 11.273 1.396 167 HB VAL 38 HB VAL 38 4.008 13.107 0.167 168 1HG1 VAL 38 1HG1 VAL 38 2.666 14.738 1.968 169 2HG1 VAL 38 2HG1 VAL 38 3.717 15.245 0.647 170 3HG1 VAL 38 3HG1 VAL 38 4.377 15.040 2.270 171 1HG2 VAL 38 1HG2 VAL 38 5.409 11.734 1.847 172 2HG2 VAL 38 2HG2 VAL 38 5.456 13.227 2.786 173 3HG2 VAL 38 3HG2 VAL 38 6.116 13.193 1.151 174 H GLY 39 HN GLY 39 3.287 10.303 3.341 175 1HA GLY 39 2HA GLY 39 4.216 10.589 5.576 176 2HA GLY 39 1HA GLY 39 3.222 12.017 5.747 177 H GLN 40 HN GLN 40 1.002 10.241 4.427 178 HA GLN 40 HA GLN 40 -0.092 9.450 6.922 179 1HB GLN 40 2HB GLN 40 -2.042 8.878 5.662 180 2HB GLN 40 1HB GLN 40 -1.450 10.441 5.172 181 1HG GLN 40 2HG GLN 40 -0.447 9.476 3.241 182 2HG GLN 40 1HG GLN 40 -0.943 7.877 3.745 183 1HE2 GLN 40 1HE2 GLN 40 -2.726 10.914 3.741 184 2HE2 GLN 40 2HE2 GLN 40 -3.985 10.357 2.711 185 H THR 41 HN THR 41 -1.188 7.278 7.108 186 HA THR 41 HA THR 41 0.616 5.196 6.052 187 HB THR 41 HB THR 41 -0.623 5.374 8.795 188 HG1 THR 41 1HG THR 41 1.475 5.247 9.456 189 1HG2 THR 41 1HG2 THR 41 0.312 3.115 9.245 190 2HG2 THR 41 2HG2 THR 41 0.642 2.938 7.522 191 3HG2 THR 41 3HG2 THR 41 -1.021 3.088 8.088 192 H VAL 42 HN VAL 42 -0.352 4.012 4.629 193 HA VAL 42 HA VAL 42 -2.975 2.958 5.289 194 HB VAL 42 HB VAL 42 -2.332 4.554 2.892 195 1HG1 VAL 42 1HG1 VAL 42 -4.086 3.149 1.610 196 2HG1 VAL 42 2HG1 VAL 42 -3.594 1.869 2.714 197 3HG1 VAL 42 3HG1 VAL 42 -2.413 2.596 1.655 198 1HG2 VAL 42 1HG2 VAL 42 -4.927 4.574 2.917 199 2HG2 VAL 42 2HG2 VAL 42 -4.048 5.431 4.183 200 3HG2 VAL 42 3HG2 VAL 42 -4.743 3.843 4.511 201 H GLU 43 HN GLU 43 -3.173 0.874 4.907 202 HA GLU 43 HA GLU 43 -0.780 -0.590 4.531 203 1HB GLU 43 2HB GLU 43 -2.149 -2.554 4.997 204 2HB GLU 43 1HB GLU 43 -2.495 -1.272 6.150 205 1HG GLU 43 2HG GLU 43 -4.441 -0.644 4.642 206 2HG GLU 43 1HG GLU 43 -4.164 -2.181 3.823 207 H LEU 44 HN LEU 44 -0.052 -1.696 2.797 208 HA LEU 44 HA LEU 44 -1.327 -1.266 0.305 209 1HB LEU 44 2HB LEU 44 0.500 -2.682 -0.597 210 2HB LEU 44 1HB LEU 44 0.996 -1.235 0.218 211 HG LEU 44 HG LEU 44 1.435 -2.743 2.254 212 1HD1 LEU 44 1HD1 LEU 44 0.658 -4.698 0.191 213 2HD1 LEU 44 2HD1 LEU 44 0.542 -4.791 1.946 214 3HD1 LEU 44 3HD1 LEU 44 2.083 -5.104 1.149 215 1HD2 LEU 44 1HD2 LEU 44 3.172 -3.368 -0.104 216 2HD2 LEU 44 2HD2 LEU 44 3.634 -3.119 1.579 217 3HD2 LEU 44 3HD2 LEU 44 3.116 -1.750 0.596 218 H LEU 45 HN LEU 45 -2.098 -2.686 -1.102 219 HA LEU 45 HA LEU 45 -3.654 -4.806 0.022 220 1HB LEU 45 2HB LEU 45 -3.324 -4.253 -2.913 221 2HB LEU 45 1HB LEU 45 -4.695 -4.969 -2.092 222 HG LEU 45 HG LEU 45 -3.889 -2.094 -1.648 223 1HD1 LEU 45 1HD1 LEU 45 -5.751 -1.552 -3.222 224 2HD1 LEU 45 2HD1 LEU 45 -5.760 -3.244 -3.711 225 3HD1 LEU 45 3HD1 LEU 45 -4.333 -2.252 -3.995 226 1HD2 LEU 45 1HD2 LEU 45 -5.328 -3.076 0.039 227 2HD2 LEU 45 2HD2 LEU 45 -6.460 -3.588 -1.211 228 3HD2 LEU 45 3HD2 LEU 45 -6.197 -1.870 -0.911 229 H GLU 46 HN GLU 46 -1.180 -4.781 -2.598 230 HA GLU 46 HA GLU 46 -0.458 -7.469 -1.740 231 1HB GLU 46 2HB GLU 46 -0.318 -8.211 -3.990 232 2HB GLU 46 1HB GLU 46 -1.892 -7.480 -3.789 233 1HG GLU 46 2HG GLU 46 -1.447 -5.812 -5.237 234 2HG GLU 46 1HG GLU 46 0.264 -5.743 -4.823 235 H ARG 47 HN ARG 47 1.573 -7.604 -3.889 236 HA ARG 47 HA ARG 47 3.434 -5.499 -3.059 237 1HB ARG 47 2HB ARG 47 4.713 -8.130 -3.311 238 2HB ARG 47 1HB ARG 47 4.946 -6.876 -2.107 239 1HG ARG 47 2HG ARG 47 2.913 -7.648 -0.945 240 2HG ARG 47 1HG ARG 47 2.766 -8.951 -2.125 241 1HD ARG 47 2HD ARG 47 3.823 -9.773 -0.111 242 2HD ARG 47 1HD ARG 47 4.975 -9.793 -1.443 243 HE ARG 47 HE ARG 47 5.063 -8.132 0.932 244 1HH1 ARG 47 1HH1 ARG 47 6.343 -8.689 -2.281 245 2HH1 ARG 47 2HH1 ARG 47 7.790 -7.790 -1.985 246 1HH2 ARG 47 1HH2 ARG 47 6.965 -6.953 1.302 247 2HH2 ARG 47 2HH2 ARG 47 8.144 -6.806 0.041 248 HA PRO 48 HA PRO 48 4.847 -5.411 -7.246 249 1HB PRO 48 2HB PRO 48 7.561 -5.444 -7.098 250 2HB PRO 48 1HB PRO 48 6.581 -4.033 -6.688 251 1HG PRO 48 2HG PRO 48 7.827 -6.069 -4.888 252 2HG PRO 48 1HG PRO 48 7.731 -4.309 -4.693 253 1HD PRO 48 2HD PRO 48 6.090 -6.008 -3.391 254 2HD PRO 48 1HD PRO 48 5.572 -4.389 -3.896 255 H SER 49 HN SER 49 3.948 -7.838 -7.000 256 HA SER 49 HA SER 49 5.984 -9.829 -7.456 257 1HB SER 49 2HB SER 49 3.050 -9.846 -7.048 258 2HB SER 49 1HB SER 49 3.749 -11.188 -7.953 259 HG SER 49 HG SER 49 4.082 -10.471 -5.275 260 H GLU 50 HN GLU 50 3.366 -8.370 -9.245 261 HA GLU 50 HA GLU 50 4.078 -9.645 -11.703 262 1HB GLU 50 2HB GLU 50 2.171 -8.525 -12.585 263 2HB GLU 50 1HB GLU 50 1.754 -9.126 -10.999 264 1HG GLU 50 2HG GLU 50 2.049 -6.943 -10.052 265 2HG GLU 50 1HG GLU 50 2.557 -6.316 -11.617 266 H ARG 51 HN ARG 51 4.348 -6.509 -10.220 267 HA ARG 51 HA ARG 51 6.288 -5.741 -12.284 268 1HB ARG 51 2HB ARG 51 5.414 -3.314 -11.830 269 2HB ARG 51 1HB ARG 51 4.614 -4.346 -13.002 270 1HG ARG 51 2HG ARG 51 3.347 -4.837 -10.541 271 2HG ARG 51 1HG ARG 51 3.574 -3.097 -10.652 272 1HD ARG 51 2HD ARG 51 2.360 -4.758 -12.845 273 2HD ARG 51 1HD ARG 51 1.416 -3.943 -11.599 274 HE ARG 51 HE ARG 51 2.989 -1.982 -12.673 275 1HH1 ARG 51 1HH1 ARG 51 0.652 -4.244 -13.963 276 2HH1 ARG 51 2HH1 ARG 51 0.161 -3.189 -15.245 277 1HH2 ARG 51 1HH2 ARG 51 2.338 -0.604 -14.358 278 2HH2 ARG 51 2HH2 ARG 51 1.116 -1.126 -15.470 279 HA PRO 52 HA PRO 52 8.528 -4.603 -8.590 280 1HB PRO 52 2HB PRO 52 10.926 -4.318 -9.692 281 2HB PRO 52 1HB PRO 52 10.131 -5.897 -9.702 282 1HG PRO 52 2HG PRO 52 10.523 -3.969 -11.920 283 2HG PRO 52 1HG PRO 52 10.378 -5.734 -11.975 284 1HD PRO 52 2HD PRO 52 8.325 -3.773 -12.434 285 2HD PRO 52 1HD PRO 52 8.179 -5.540 -12.470 286 H GLY 53 HN GLY 53 7.968 -2.666 -7.781 287 1HA GLY 53 2HA GLY 53 9.198 -0.467 -7.555 288 2HA GLY 53 1HA GLY 53 8.821 -0.262 -9.253 289 H TRP 54 HN TRP 54 6.216 -1.775 -8.193 290 HA TRP 54 HA TRP 54 4.811 0.681 -7.639 291 1HB TRP 54 2HB TRP 54 3.038 -0.120 -8.812 292 2HB TRP 54 1HB TRP 54 4.340 -0.938 -9.631 293 HD1 TRP 54 1HD TRP 54 4.735 -3.322 -7.508 294 HE1 TRP 54 1HE TRP 54 2.932 -5.176 -7.374 295 HE3 TRP 54 3HE TRP 54 0.876 -0.790 -9.599 296 HZ2 TRP 54 2HZ TRP 54 0.210 -5.495 -8.094 297 HZ3 TRP 54 3HZ TRP 54 -1.307 -1.916 -9.861 298 HH2 TRP 54 2HH TRP 54 -1.630 -4.222 -9.115 299 H CYS 55 HN CYS 55 2.832 0.565 -6.291 300 HA CYS 55 HA CYS 55 2.614 -1.580 -4.399 301 1HB CYS 55 2HB CYS 55 4.323 0.437 -3.631 302 2HB CYS 55 1HB CYS 55 2.835 0.842 -2.811 303 HG CYS 55 HG CYS 55 4.222 -0.732 -1.285 304 H LEU 56 HN LEU 56 0.787 -1.437 -3.074 305 HA LEU 56 HA LEU 56 -1.288 0.319 -4.174 306 1HB LEU 56 2HB LEU 56 -1.279 -2.468 -3.106 307 2HB LEU 56 1HB LEU 56 -2.749 -1.535 -3.122 308 HG LEU 56 HG LEU 56 -2.888 -1.517 -5.447 309 1HD1 LEU 56 1HD1 LEU 56 -1.013 -2.195 -6.933 310 2HD1 LEU 56 2HD1 LEU 56 0.034 -2.278 -5.517 311 3HD1 LEU 56 3HD1 LEU 56 -0.671 -0.736 -6.001 312 1HD2 LEU 56 1HD2 LEU 56 -3.474 -3.673 -5.041 313 2HD2 LEU 56 2HD2 LEU 56 -1.920 -4.070 -4.308 314 3HD2 LEU 56 3HD2 LEU 56 -2.067 -3.963 -6.062 315 H VAL 57 HN VAL 57 -3.043 0.973 -2.692 316 HA VAL 57 HA VAL 57 -2.194 1.116 0.118 317 HB VAL 57 HB VAL 57 -3.239 3.555 -0.062 318 1HG1 VAL 57 1HG1 VAL 57 -1.184 3.856 0.726 319 2HG1 VAL 57 2HG1 VAL 57 -0.651 4.050 -0.942 320 3HG1 VAL 57 3HG1 VAL 57 -0.566 2.468 -0.167 321 1HG2 VAL 57 1HG2 VAL 57 -3.394 2.940 -2.683 322 2HG2 VAL 57 2HG2 VAL 57 -1.826 3.747 -2.619 323 3HG2 VAL 57 3HG2 VAL 57 -3.271 4.581 -2.048 324 H ARG 58 HN ARG 58 -3.806 0.518 1.485 325 HA ARG 58 HA ARG 58 -6.552 0.483 0.481 326 1HB ARG 58 2HB ARG 58 -6.017 -1.661 1.235 327 2HB ARG 58 1HB ARG 58 -5.087 -1.055 2.580 328 1HG ARG 58 2HG ARG 58 -7.082 -2.125 3.392 329 2HG ARG 58 1HG ARG 58 -7.169 -0.394 3.713 330 1HD ARG 58 2HD ARG 58 -9.220 -1.692 2.724 331 2HD ARG 58 1HD ARG 58 -8.851 -0.061 2.205 332 HE ARG 58 HE ARG 58 -7.841 -0.975 0.214 333 1HH1 ARG 58 1HH1 ARG 58 -9.874 -3.222 2.041 334 2HH1 ARG 58 2HH1 ARG 58 -10.075 -4.291 0.704 335 1HH2 ARG 58 1HH2 ARG 58 -8.128 -2.451 -1.503 336 2HH2 ARG 58 2HH2 ARG 58 -9.101 -3.862 -1.283 337 H THR 59 HN THR 59 -8.221 1.637 1.511 338 HA THR 59 HA THR 59 -7.351 3.549 3.529 339 HB THR 59 HB THR 59 -9.832 3.404 1.862 340 HG1 THR 59 1HG THR 59 -8.110 3.868 0.556 341 1HG2 THR 59 1HG2 THR 59 -10.557 5.388 2.645 342 2HG2 THR 59 2HG2 THR 59 -8.935 5.930 3.078 343 3HG2 THR 59 3HG2 THR 59 -9.779 4.765 4.100 344 H THR 60 HN THR 60 -7.935 3.314 5.595 345 HA THR 60 HA THR 60 -10.124 1.439 6.202 346 HB THR 60 HB THR 60 -8.076 0.429 6.897 347 HG1 THR 60 1HG THR 60 -9.737 0.272 8.429 348 1HG2 THR 60 1HG2 THR 60 -7.425 2.876 8.513 349 2HG2 THR 60 2HG2 THR 60 -6.702 2.501 6.948 350 3HG2 THR 60 3HG2 THR 60 -6.450 1.419 8.318 351 H GLU 61 HN GLU 61 -9.014 4.660 6.543 352 HA GLU 61 HA GLU 61 -10.560 5.159 8.941 353 1HB GLU 61 2HB GLU 61 -9.828 7.551 8.546 354 2HB GLU 61 1HB GLU 61 -8.540 6.392 8.847 355 1HG GLU 61 2HG GLU 61 -7.920 6.347 6.567 356 2HG GLU 61 1HG GLU 61 -9.376 7.215 6.084 357 H ARG 62 HN ARG 62 -11.631 4.463 6.106 358 HA ARG 62 HA ARG 62 -13.886 6.262 6.235 359 1HB ARG 62 2HB ARG 62 -11.914 6.053 4.037 360 2HB ARG 62 1HB ARG 62 -13.599 6.033 3.554 361 1HG ARG 62 2HG ARG 62 -13.852 8.128 4.986 362 2HG ARG 62 1HG ARG 62 -12.088 8.180 4.984 363 1HD ARG 62 2HD ARG 62 -12.220 8.069 2.460 364 2HD ARG 62 1HD ARG 62 -13.952 8.355 2.626 365 HE ARG 62 HE ARG 62 -12.890 10.386 4.036 366 1HH1 ARG 62 1HH1 ARG 62 -12.244 9.192 0.810 367 2HH1 ARG 62 2HH1 ARG 62 -11.781 10.744 0.200 368 1HH2 ARG 62 1HH2 ARG 62 -12.281 12.419 3.224 369 2HH2 ARG 62 2HH2 ARG 62 -11.800 12.573 1.567 370 H SER 63 HN SER 63 -15.196 4.610 6.910 371 HA SER 63 HA SER 63 -15.135 2.039 5.615 372 1HB SER 63 2HB SER 63 -17.250 2.947 7.555 373 2HB SER 63 1HB SER 63 -16.647 1.313 7.270 374 HG SER 63 HG SER 63 -15.418 3.444 8.647 375 HA PRO 64 HA PRO 64 -16.170 0.345 4.773 376 1HB PRO 64 2HB PRO 64 -16.404 -0.555 2.243 377 2HB PRO 64 1HB PRO 64 -17.744 -0.631 3.395 378 1HG PRO 64 2HG PRO 64 -17.229 1.362 1.221 379 2HG PRO 64 1HG PRO 64 -18.745 0.565 1.672 380 1HD PRO 64 2HD PRO 64 -18.119 3.095 2.438 381 2HD PRO 64 1HD PRO 64 -19.144 2.017 3.405 382 HA PRO 65 HA PRO 65 -11.975 1.265 3.610 383 1HB PRO 65 2HB PRO 65 -11.443 -1.176 2.261 384 2HB PRO 65 1HB PRO 65 -11.055 -0.764 3.932 385 1HG PRO 65 2HG PRO 65 -13.344 -2.311 2.846 386 2HG PRO 65 1HG PRO 65 -12.526 -2.456 4.412 387 1HD PRO 65 2HD PRO 65 -14.960 -1.353 4.207 388 2HD PRO 65 1HD PRO 65 -13.756 -0.721 5.352 389 H GLN 66 HN GLN 66 -10.629 1.616 1.815 390 HA GLN 66 HA GLN 66 -11.917 1.555 -0.782 391 1HB GLN 66 2HB GLN 66 -11.298 3.868 0.789 392 2HB GLN 66 1HB GLN 66 -10.289 3.867 -0.640 393 1HG GLN 66 2HG GLN 66 -13.162 3.309 -0.995 394 2HG GLN 66 1HG GLN 66 -12.699 4.952 -0.560 395 1HE2 GLN 66 1HE2 GLN 66 -10.733 5.736 -1.897 396 2HE2 GLN 66 2HE2 GLN 66 -10.858 5.473 -3.601 397 H GLU 67 HN GLU 67 -10.085 1.972 -2.534 398 HA GLU 67 HA GLU 67 -7.575 0.882 -1.515 399 1HB GLU 67 2HB GLU 67 -8.250 -0.252 -4.117 400 2HB GLU 67 1HB GLU 67 -7.594 -1.019 -2.691 401 1HG GLU 67 2HG GLU 67 -9.853 -1.169 -1.744 402 2HG GLU 67 1HG GLU 67 -10.499 -0.420 -3.201 403 H GLY 68 HN GLY 68 -5.761 1.269 -2.723 404 1HA GLY 68 2HA GLY 68 -6.073 3.197 -4.948 405 2HA GLY 68 1HA GLY 68 -5.048 3.601 -3.587 406 H LEU 69 HN LEU 69 -4.175 3.542 -6.235 407 HA LEU 69 HA LEU 69 -2.128 1.467 -6.035 408 1HB LEU 69 2HB LEU 69 -4.051 1.869 -8.252 409 2HB LEU 69 1HB LEU 69 -2.389 1.513 -8.693 410 HG LEU 69 HG LEU 69 -2.591 -0.466 -7.071 411 1HD1 LEU 69 1HD1 LEU 69 -5.324 0.588 -7.067 412 2HD1 LEU 69 2HD1 LEU 69 -4.509 -0.459 -5.908 413 3HD1 LEU 69 3HD1 LEU 69 -5.213 -1.145 -7.371 414 1HD2 LEU 69 1HD2 LEU 69 -3.032 -1.835 -8.847 415 2HD2 LEU 69 2HD2 LEU 69 -2.703 -0.327 -9.699 416 3HD2 LEU 69 3HD2 LEU 69 -4.368 -0.840 -9.425 417 H VAL 70 HN VAL 70 -0.149 2.169 -6.384 418 HA VAL 70 HA VAL 70 0.469 4.344 -8.145 419 HB VAL 70 HB VAL 70 1.780 5.377 -5.979 420 1HG1 VAL 70 1HG1 VAL 70 0.551 7.277 -6.341 421 2HG1 VAL 70 2HG1 VAL 70 -0.955 6.390 -6.577 422 3HG1 VAL 70 3HG1 VAL 70 0.274 6.393 -7.842 423 1HG2 VAL 70 1HG2 VAL 70 0.645 5.311 -4.024 424 2HG2 VAL 70 2HG2 VAL 70 0.074 3.771 -4.663 425 3HG2 VAL 70 3HG2 VAL 70 -0.928 5.211 -4.814 426 HA PRO 71 HA PRO 71 4.271 2.197 -7.801 427 1HB PRO 71 2HB PRO 71 6.180 3.983 -8.418 428 2HB PRO 71 1HB PRO 71 5.009 3.376 -9.593 429 1HG PRO 71 2HG PRO 71 5.177 6.031 -8.340 430 2HG PRO 71 1HG PRO 71 4.321 5.538 -9.808 431 1HD PRO 71 2HD PRO 71 3.256 5.931 -7.152 432 2HD PRO 71 1HD PRO 71 2.382 5.536 -8.634 433 H SER 72 HN SER 72 6.106 1.714 -6.584 434 HA SER 72 HA SER 72 6.074 2.097 -3.908 435 1HB SER 72 2HB SER 72 7.484 0.396 -4.620 436 2HB SER 72 1HB SER 72 8.278 1.412 -5.817 437 HG SER 72 HG SER 72 8.571 2.027 -3.090 438 H SER 73 HN SER 73 7.400 4.284 -6.289 439 HA SER 73 HA SER 73 9.081 5.826 -4.684 440 1HB SER 73 2HB SER 73 8.191 7.710 -6.357 441 2HB SER 73 1HB SER 73 9.288 6.436 -6.889 442 HG SER 73 HG SER 73 7.643 6.426 -8.334 443 H THR 74 HN THR 74 5.591 5.744 -4.928 444 HA THR 74 HA THR 74 5.370 8.021 -3.104 445 HB THR 74 HB THR 74 3.348 8.485 -4.036 446 HG1 THR 74 1HG THR 74 1.915 6.985 -3.999 447 1HG2 THR 74 1HG2 THR 74 4.835 8.612 -5.900 448 2HG2 THR 74 2HG2 THR 74 3.274 7.999 -6.433 449 3HG2 THR 74 3HG2 THR 74 4.630 6.898 -6.212 450 H LEU 75 HN LEU 75 5.554 4.737 -2.945 451 HA LEU 75 HA LEU 75 3.947 4.640 -0.516 452 1HB LEU 75 2HB LEU 75 4.238 2.410 -2.494 453 2HB LEU 75 1HB LEU 75 3.262 2.409 -1.052 454 HG LEU 75 HG LEU 75 2.284 4.572 -2.471 455 1HD1 LEU 75 1HD1 LEU 75 2.768 4.304 -4.625 456 2HD1 LEU 75 2HD1 LEU 75 1.813 2.825 -4.608 457 3HD1 LEU 75 3HD1 LEU 75 3.550 2.754 -4.323 458 1HD2 LEU 75 1HD2 LEU 75 1.131 2.686 -1.164 459 2HD2 LEU 75 2HD2 LEU 75 1.108 1.815 -2.696 460 3HD2 LEU 75 3HD2 LEU 75 0.281 3.364 -2.552 461 H CYS 76 HN CYS 76 5.177 4.140 1.129 462 HA CYS 76 HA CYS 76 7.888 3.423 0.937 463 1HB CYS 76 2HB CYS 76 6.796 4.550 2.905 464 2HB CYS 76 1HB CYS 76 6.108 2.990 3.341 465 HG CYS 76 HG CYS 76 9.187 3.188 3.191 466 H ILE 77 HN ILE 77 8.617 1.564 0.176 467 HA ILE 77 HA ILE 77 7.151 -0.897 0.843 468 HB ILE 77 HB ILE 77 7.793 -1.866 -1.225 469 1HG1 ILE 77 2HG1 ILE 77 9.147 -0.315 -2.867 470 2HG1 ILE 77 1HG1 ILE 77 9.732 0.423 -1.380 471 1HG2 ILE 77 1HG2 ILE 77 6.460 -0.649 -2.624 472 2HG2 ILE 77 2HG2 ILE 77 7.226 0.881 -2.203 473 3HG2 ILE 77 3HG2 ILE 77 6.069 0.145 -1.098 474 1HD1 ILE 77 1HD1 ILE 77 10.004 -2.322 -0.992 475 2HD1 ILE 77 2HD1 ILE 77 11.282 -1.151 -1.317 476 3HD1 ILE 77 3HD1 ILE 77 10.528 -2.026 -2.650 477 H SER 78 HN SER 78 10.276 0.618 0.639 478 HA SER 78 HA SER 78 12.295 0.135 1.555 479 1HB SER 78 2HB SER 78 11.158 -0.088 3.665 480 2HB SER 78 1HB SER 78 10.607 -1.711 3.256 481 HG SER 78 HG SER 78 12.769 -1.111 4.543 482 H HIS 79 HN HIS 79 10.934 -3.130 1.898 483 HA HIS 79 HA HIS 79 11.570 -5.135 1.036 484 1HB HIS 79 2HB HIS 79 10.804 -4.145 -1.072 485 2HB HIS 79 1HB HIS 79 12.393 -3.432 -1.329 486 HD1 HIS 79 1HD HIS 79 12.396 -4.803 -3.605 487 HD2 HIS 79 2HD HIS 79 12.507 -7.087 -0.136 488 HE1 HIS 79 1HE HIS 79 13.117 -7.098 -4.336 489 HE2 HIS 79 2HE HIS 79 13.106 -8.482 -2.230 490 H SER 80 HN SER 80 13.302 -4.365 2.850 491 HA SER 80 HA SER 80 15.973 -3.993 2.011 492 1HB SER 80 2HB SER 80 15.173 -3.460 4.292 493 2HB SER 80 1HB SER 80 14.965 -5.182 4.608 494 HG SER 80 HG SER 80 17.348 -3.725 4.217
Contact the webmaster for help, if required. Wednesday, June 5, 2024 2:13:57 AM GMT (wattos1)