NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11602 | 1rqu | 4429 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H SER 1 H SER 1 -10.776 -48.045 4.865 2 HA SER 1 HA SER 1 -11.983 -47.314 7.405 3 1HB SER 1 1HB SER 1 -9.060 -48.032 6.932 4 2HB SER 1 2HB SER 1 -9.611 -47.171 8.355 5 HG SER 1 HG SER 1 -9.639 -49.302 8.979 6 H ILE 2 H ILE 2 -12.726 -45.549 5.830 7 HA ILE 2 HA ILE 2 -10.576 -43.688 5.169 8 HB ILE 2 HB ILE 2 -13.475 -43.571 4.350 9 1HG1 ILE 2 1HG1 ILE 2 -11.163 -44.907 2.913 10 2HG1 ILE 2 2HG1 ILE 2 -12.540 -45.717 3.633 11 1HG2 ILE 2 1HG2 ILE 2 -12.892 -41.908 2.883 12 2HG2 ILE 2 2HG2 ILE 2 -11.779 -41.561 4.228 13 3HG2 ILE 2 3HG2 ILE 2 -11.192 -42.427 2.788 14 1HD1 ILE 2 1HD1 ILE 2 -12.887 -45.454 1.208 15 2HD1 ILE 2 2HD1 ILE 2 -14.073 -44.468 2.097 16 3HD1 ILE 2 3HD1 ILE 2 -12.656 -43.695 1.347 17 H THR 3 H THR 3 -10.609 -43.679 7.779 18 HA THR 3 HA THR 3 -12.664 -42.006 8.881 19 HB THR 3 HB THR 3 -11.188 -42.229 10.924 20 HG1 THR 3 1HG THR 3 -9.218 -43.473 10.534 21 1HG2 THR 3 1HG2 THR 3 -12.760 -44.141 10.277 22 2HG2 THR 3 2HG2 THR 3 -11.395 -44.881 9.407 23 3HG2 THR 3 3HG2 THR 3 -11.313 -44.662 11.172 24 H LYS 4 H LYS 4 -11.970 -40.008 10.208 25 HA LYS 4 HA LYS 4 -10.833 -38.189 8.322 26 1HB LYS 4 1HB LYS 4 -12.244 -38.035 10.937 27 2HB LYS 4 2HB LYS 4 -11.163 -36.710 10.557 28 1HG LYS 4 1HG LYS 4 -12.527 -35.907 8.904 29 2HG LYS 4 2HG LYS 4 -12.829 -37.504 8.248 30 1HD LYS 4 1HD LYS 4 -14.115 -36.560 10.845 31 2HD LYS 4 2HD LYS 4 -14.850 -36.257 9.283 32 1HE LYS 4 1HE LYS 4 -15.527 -38.433 9.039 33 2HE LYS 4 2HE LYS 4 -14.004 -39.075 9.622 34 1HZ LYS 4 1HZ LYS 4 -16.055 -39.390 11.041 35 2HZ LYS 4 2HZ LYS 4 -14.699 -38.886 11.799 36 3HZ LYS 4 3HZ LYS 4 -15.892 -37.822 11.467 37 H ASP 5 H ASP 5 -9.846 -39.740 11.414 38 HA ASP 5 HA ASP 5 -7.641 -38.229 11.919 39 1HB ASP 5 1HB ASP 5 -8.381 -41.116 12.431 40 2HB ASP 5 2HB ASP 5 -6.759 -40.588 12.833 41 H GLN 6 H GLN 6 -8.090 -41.137 9.810 42 HA GLN 6 HA GLN 6 -5.416 -41.574 9.282 43 1HB GLN 6 1HB GLN 6 -6.165 -43.193 7.797 44 2HB GLN 6 2HB GLN 6 -7.608 -42.979 8.768 45 1HG GLN 6 1HG GLN 6 -8.562 -42.748 6.669 46 2HG GLN 6 2HG GLN 6 -8.139 -41.071 6.953 47 1HE2 GLN 6 1HE2 GLN 6 -8.409 -41.477 4.476 48 2HE2 GLN 6 2HE2 GLN 6 -6.936 -41.704 3.593 49 H ILE 7 H ILE 7 -7.740 -39.239 7.976 50 HA ILE 7 HA ILE 7 -6.229 -38.632 5.646 51 HB ILE 7 HB ILE 7 -8.556 -37.394 7.079 52 1HG1 ILE 7 1HG1 ILE 7 -8.389 -38.378 4.230 53 2HG1 ILE 7 2HG1 ILE 7 -8.679 -39.479 5.563 54 1HG2 ILE 7 1HG2 ILE 7 -8.668 -35.801 5.096 55 2HG2 ILE 7 2HG2 ILE 7 -7.449 -35.451 6.345 56 3HG2 ILE 7 3HG2 ILE 7 -6.958 -36.206 4.810 57 1HD1 ILE 7 1HD1 ILE 7 -10.365 -37.030 5.626 58 2HD1 ILE 7 2HD1 ILE 7 -10.654 -38.099 4.233 59 3HD1 ILE 7 3HD1 ILE 7 -10.818 -38.731 5.889 60 H ILE 8 H ILE 8 -6.127 -37.722 9.048 61 HA ILE 8 HA ILE 8 -4.775 -35.269 8.681 62 HB ILE 8 HB ILE 8 -4.909 -37.122 11.063 63 1HG1 ILE 8 1HG1 ILE 8 -7.128 -36.450 10.306 64 2HG1 ILE 8 2HG1 ILE 8 -6.729 -35.695 11.836 65 1HG2 ILE 8 1HG2 ILE 8 -3.863 -34.320 10.712 66 2HG2 ILE 8 2HG2 ILE 8 -4.502 -34.879 12.277 67 3HG2 ILE 8 3HG2 ILE 8 -3.117 -35.713 11.532 68 1HD1 ILE 8 1HD1 ILE 8 -6.589 -34.392 9.080 69 2HD1 ILE 8 2HD1 ILE 8 -7.740 -34.015 10.385 70 3HD1 ILE 8 3HD1 ILE 8 -6.015 -33.620 10.578 71 H GLU 9 H GLU 9 -3.659 -38.617 9.530 72 HA GLU 9 HA GLU 9 -0.967 -37.885 9.529 73 1HB GLU 9 1HB GLU 9 -0.525 -40.286 9.636 74 2HB GLU 9 2HB GLU 9 -1.888 -39.903 10.668 75 1HG GLU 9 1HG GLU 9 -3.473 -40.664 8.934 76 2HG GLU 9 2HG GLU 9 -2.161 -40.925 7.802 77 H ALA 10 H ALA 10 -3.240 -38.284 6.977 78 HA ALA 10 HA ALA 10 -1.445 -39.316 5.020 79 1HB ALA 10 1HB ALA 10 -3.921 -39.589 4.957 80 2HB ALA 10 2HB ALA 10 -4.088 -37.833 4.719 81 3HB ALA 10 3HB ALA 10 -3.284 -38.826 3.480 82 H VAL 11 H VAL 11 -2.606 -36.064 6.053 83 HA VAL 11 HA VAL 11 -1.248 -34.705 3.968 84 HB VAL 11 HB VAL 11 -2.595 -33.950 6.542 85 1HG1 VAL 11 1HG1 VAL 11 -0.678 -32.453 6.407 86 2HG1 VAL 11 2HG1 VAL 11 -1.070 -32.062 4.716 87 3HG1 VAL 11 3HG1 VAL 11 -2.173 -31.567 6.023 88 1HG2 VAL 11 1HG2 VAL 11 -3.172 -33.770 3.614 89 2HG2 VAL 11 2HG2 VAL 11 -4.244 -34.192 4.971 90 3HG2 VAL 11 3HG2 VAL 11 -3.813 -32.491 4.673 91 H ALA 12 H ALA 12 -0.372 -36.004 7.135 92 HA ALA 12 HA ALA 12 2.067 -34.443 7.220 93 1HB ALA 12 1HB ALA 12 2.110 -35.013 9.426 94 2HB ALA 12 2HB ALA 12 0.398 -35.413 9.148 95 3HB ALA 12 3HB ALA 12 1.630 -36.697 9.107 96 H ALA 13 H ALA 13 1.134 -36.786 5.219 97 HA ALA 13 HA ALA 13 3.594 -38.360 5.525 98 1HB ALA 13 1HB ALA 13 1.836 -39.487 3.584 99 2HB ALA 13 2HB ALA 13 2.239 -40.119 5.198 100 3HB ALA 13 3HB ALA 13 0.844 -39.034 4.990 101 H MET 14 H MET 14 1.776 -36.076 3.537 102 HA MET 14 HA MET 14 3.597 -36.531 1.331 103 1HB MET 14 1HB MET 14 1.149 -34.696 1.601 104 2HB MET 14 2HB MET 14 2.014 -35.000 0.108 105 1HG MET 14 1HG MET 14 1.101 -37.113 -0.161 106 2HG MET 14 2HG MET 14 1.085 -37.447 1.559 107 1HE MET 14 1HE MET 14 -1.734 -37.434 -0.992 108 2HE MET 14 2HE MET 14 -0.898 -38.513 0.151 109 3HE MET 14 3HE MET 14 -2.530 -37.911 0.526 110 H SER 15 H SER 15 4.245 -34.344 0.131 111 HA SER 15 HA SER 15 5.736 -32.902 2.072 112 1HB SER 15 1HB SER 15 6.204 -31.572 -0.273 113 2HB SER 15 2HB SER 15 7.068 -33.014 0.223 114 HG SER 15 HG SER 15 6.044 -32.977 -2.007 115 H VAL 16 H VAL 16 5.757 -30.446 2.120 116 HA VAL 16 HA VAL 16 3.279 -29.436 2.728 117 HB VAL 16 HB VAL 16 5.773 -27.985 1.820 118 1HG1 VAL 16 1HG1 VAL 16 3.482 -26.950 3.523 119 2HG1 VAL 16 2HG1 VAL 16 4.920 -26.047 2.989 120 3HG1 VAL 16 3HG1 VAL 16 3.711 -26.581 1.797 121 1HG2 VAL 16 1HG2 VAL 16 4.936 -29.240 4.406 122 2HG2 VAL 16 2HG2 VAL 16 6.542 -29.149 3.644 123 3HG2 VAL 16 3HG2 VAL 16 5.863 -27.721 4.462 124 H MET 17 H MET 17 5.120 -29.311 -0.372 125 HA MET 17 HA MET 17 3.533 -27.564 -1.714 126 1HB MET 17 1HB MET 17 5.278 -29.918 -2.425 127 2HB MET 17 2HB MET 17 4.219 -29.341 -3.696 128 1HG MET 17 1HG MET 17 5.246 -27.205 -3.772 129 2HG MET 17 2HG MET 17 5.882 -27.338 -2.145 130 1HE MET 17 1HE MET 17 8.120 -26.395 -3.194 131 2HE MET 17 2HE MET 17 9.071 -27.228 -4.448 132 3HE MET 17 3HE MET 17 7.512 -26.476 -4.864 133 H ASP 18 H ASP 18 3.099 -31.131 -1.296 134 HA ASP 18 HA ASP 18 0.988 -31.369 -3.051 135 1HB ASP 18 1HB ASP 18 2.322 -33.247 -2.013 136 2HB ASP 18 2HB ASP 18 1.510 -32.950 -0.489 137 H VAL 19 H VAL 19 1.258 -30.194 0.289 138 HA VAL 19 HA VAL 19 -1.523 -30.491 0.894 139 HB VAL 19 HB VAL 19 0.704 -28.956 2.249 140 1HG1 VAL 19 1HG1 VAL 19 -2.023 -29.761 3.318 141 2HG1 VAL 19 2HG1 VAL 19 -0.737 -28.927 4.223 142 3HG1 VAL 19 3HG1 VAL 19 -1.535 -28.113 2.856 143 1HG2 VAL 19 1HG2 VAL 19 0.685 -30.898 3.834 144 2HG2 VAL 19 2HG2 VAL 19 -0.403 -31.744 2.708 145 3HG2 VAL 19 3HG2 VAL 19 1.242 -31.301 2.193 146 H VAL 20 H VAL 20 0.672 -27.935 -0.333 147 HA VAL 20 HA VAL 20 -1.167 -25.828 -0.121 148 HB VAL 20 HB VAL 20 1.283 -26.369 -1.782 149 1HG1 VAL 20 1HG1 VAL 20 -0.054 -24.975 -3.211 150 2HG1 VAL 20 2HG1 VAL 20 -0.485 -23.904 -1.857 151 3HG1 VAL 20 3HG1 VAL 20 1.190 -23.950 -2.457 152 1HG2 VAL 20 1HG2 VAL 20 1.873 -25.929 0.447 153 2HG2 VAL 20 2HG2 VAL 20 2.065 -24.357 -0.367 154 3HG2 VAL 20 3HG2 VAL 20 0.625 -24.674 0.630 155 H GLU 21 H GLU 21 -0.353 -28.102 -2.825 156 HA GLU 21 HA GLU 21 -2.096 -27.029 -4.650 157 1HB GLU 21 1HB GLU 21 -0.937 -29.796 -4.239 158 2HB GLU 21 2HB GLU 21 -2.094 -29.521 -5.525 159 1HG GLU 21 1HG GLU 21 -0.681 -27.911 -6.612 160 2HG GLU 21 2HG GLU 21 0.331 -27.716 -5.195 161 H LEU 22 H LEU 22 -2.615 -29.652 -2.203 162 HA LEU 22 HA LEU 22 -5.185 -30.330 -2.929 163 1HB LEU 22 1HB LEU 22 -3.774 -31.588 -1.388 164 2HB LEU 22 2HB LEU 22 -3.895 -30.308 -0.197 165 HG LEU 22 HG LEU 22 -5.346 -32.347 0.176 166 1HD1 LEU 22 1HD1 LEU 22 -7.037 -31.122 1.222 167 2HD1 LEU 22 2HD1 LEU 22 -5.668 -29.987 1.144 168 3HD1 LEU 22 3HD1 LEU 22 -7.011 -29.842 -0.015 169 1HD2 LEU 22 1HD2 LEU 22 -7.363 -32.643 -1.068 170 2HD2 LEU 22 2HD2 LEU 22 -7.070 -31.162 -2.012 171 3HD2 LEU 22 3HD2 LEU 22 -6.014 -32.579 -2.229 172 H ILE 23 H ILE 23 -4.286 -28.133 -0.171 173 HA ILE 23 HA ILE 23 -6.774 -27.222 0.388 174 HB ILE 23 HB ILE 23 -4.069 -25.926 0.537 175 1HG1 ILE 23 1HG1 ILE 23 -4.425 -27.802 2.021 176 2HG1 ILE 23 2HG1 ILE 23 -4.370 -26.316 2.948 177 1HG2 ILE 23 1HG2 ILE 23 -5.388 -24.009 0.349 178 2HG2 ILE 23 2HG2 ILE 23 -6.741 -24.732 1.252 179 3HG2 ILE 23 3HG2 ILE 23 -5.250 -24.267 2.105 180 1HD1 ILE 23 1HD1 ILE 23 -6.646 -28.183 2.490 181 2HD1 ILE 23 2HD1 ILE 23 -6.294 -27.138 3.888 182 3HD1 ILE 23 3HD1 ILE 23 -7.060 -26.452 2.435 183 H SER 24 H SER 24 -4.501 -25.957 -2.126 184 HA SER 24 HA SER 24 -6.059 -23.829 -2.883 185 1HB SER 24 1HB SER 24 -3.899 -25.473 -4.169 186 2HB SER 24 2HB SER 24 -4.823 -24.418 -5.219 187 HG SER 24 HG SER 24 -2.815 -23.514 -4.140 188 H ALA 25 H ALA 25 -6.137 -27.291 -3.837 189 HA ALA 25 HA ALA 25 -7.832 -27.025 -6.038 190 1HB ALA 25 1HB ALA 25 -7.801 -29.406 -4.169 191 2HB ALA 25 2HB ALA 25 -7.970 -29.376 -5.941 192 3HB ALA 25 3HB ALA 25 -6.396 -29.019 -5.190 193 H MET 26 H MET 26 -8.653 -28.139 -2.669 194 HA MET 26 HA MET 26 -11.337 -28.175 -3.002 195 1HB MET 26 1HB MET 26 -9.605 -27.454 -0.581 196 2HB MET 26 2HB MET 26 -11.336 -27.683 -0.440 197 1HG MET 26 1HG MET 26 -11.162 -30.002 -1.221 198 2HG MET 26 2HG MET 26 -9.468 -29.794 -1.618 199 1HE MET 26 1HE MET 26 -12.147 -29.649 1.065 200 2HE MET 26 2HE MET 26 -11.277 -29.809 2.610 201 3HE MET 26 3HE MET 26 -11.214 -28.276 1.708 202 H GLU 27 H GLU 27 -9.220 -25.375 -2.211 203 HA GLU 27 HA GLU 27 -11.091 -23.583 -1.439 204 1HB GLU 27 1HB GLU 27 -8.418 -23.439 -2.754 205 2HB GLU 27 2HB GLU 27 -9.391 -21.988 -2.891 206 1HG GLU 27 1HG GLU 27 -9.747 -22.043 -0.383 207 2HG GLU 27 2HG GLU 27 -8.669 -23.421 -0.291 208 H GLU 28 H GLU 28 -10.151 -24.534 -4.792 209 HA GLU 28 HA GLU 28 -11.921 -22.613 -5.918 210 1HB GLU 28 1HB GLU 28 -9.837 -23.252 -7.070 211 2HB GLU 28 2HB GLU 28 -10.364 -24.920 -7.166 212 1HG GLU 28 1HG GLU 28 -12.092 -24.418 -8.735 213 2HG GLU 28 2HG GLU 28 -12.077 -22.709 -8.348 214 H LYS 29 H LYS 29 -11.848 -26.202 -5.470 215 HA LYS 29 HA LYS 29 -14.120 -26.811 -6.903 216 1HB LYS 29 1HB LYS 29 -12.577 -28.503 -6.141 217 2HB LYS 29 2HB LYS 29 -12.900 -28.125 -4.461 218 1HG LYS 29 1HG LYS 29 -14.248 -30.036 -4.882 219 2HG LYS 29 2HG LYS 29 -15.380 -28.701 -4.962 220 1HD LYS 29 1HD LYS 29 -14.191 -29.103 -7.587 221 2HD LYS 29 2HD LYS 29 -14.805 -30.634 -6.994 222 1HE LYS 29 1HE LYS 29 -16.452 -28.063 -6.959 223 2HE LYS 29 2HE LYS 29 -16.485 -29.197 -8.295 224 1HZ LYS 29 1HZ LYS 29 -16.854 -30.390 -5.719 225 2HZ LYS 29 2HZ LYS 29 -18.044 -29.361 -6.157 226 3HZ LYS 29 3HZ LYS 29 -17.675 -30.635 -7.110 227 H PHE 30 H PHE 30 -13.928 -26.445 -3.287 228 HA PHE 30 HA PHE 30 -16.756 -26.245 -3.118 229 1HB PHE 30 1HB PHE 30 -14.374 -25.730 -1.246 230 2HB PHE 30 2HB PHE 30 -16.030 -25.608 -0.686 231 HD1 PHE 30 1HD PHE 30 -17.423 -27.611 -0.476 232 HD2 PHE 30 2HD PHE 30 -13.370 -27.882 -1.704 233 HE1 PHE 30 1HE PHE 30 -17.443 -30.076 -0.002 234 HE2 PHE 30 2HE PHE 30 -13.390 -30.346 -1.230 235 HZ PHE 30 HZ PHE 30 -15.427 -31.414 -0.385 236 H GLY 31 H GLY 31 -14.439 -24.059 -4.206 237 1HA GLY 31 1HA GLY 31 -14.367 -21.823 -4.445 238 2HA GLY 31 2HA GLY 31 -16.118 -21.902 -4.452 239 H VAL 32 H VAL 32 -13.485 -22.305 -1.963 240 HA VAL 32 HA VAL 32 -14.983 -20.390 -0.310 241 HB VAL 32 HB VAL 32 -13.438 -22.863 0.482 242 1HG1 VAL 32 1HG1 VAL 32 -12.864 -21.552 2.262 243 2HG1 VAL 32 2HG1 VAL 32 -14.257 -20.463 2.055 244 3HG1 VAL 32 3HG1 VAL 32 -14.479 -22.058 2.814 245 1HG2 VAL 32 1HG2 VAL 32 -15.435 -23.867 0.964 246 2HG2 VAL 32 2HG2 VAL 32 -16.247 -22.330 1.346 247 3HG2 VAL 32 3HG2 VAL 32 -15.977 -22.796 -0.351 248 H SER 33 H SER 33 -13.505 -19.014 -1.888 249 HA SER 33 HA SER 33 -11.179 -18.400 -0.300 250 1HB SER 33 1HB SER 33 -10.487 -19.970 -2.197 251 2HB SER 33 2HB SER 33 -10.968 -18.717 -3.323 252 HG SER 33 HG SER 33 -9.346 -17.347 -2.554 253 H ALA 34 H ALA 34 -10.483 -16.158 -0.562 254 HA ALA 34 HA ALA 34 -12.618 -14.505 -1.665 255 1HB ALA 34 1HB ALA 34 -11.457 -12.713 -0.342 256 2HB ALA 34 2HB ALA 34 -12.007 -14.087 0.648 257 3HB ALA 34 3HB ALA 34 -10.288 -13.937 0.209 258 H ALA 35 H ALA 35 -11.331 -15.698 -3.730 259 HA ALA 35 HA ALA 35 -8.988 -14.811 -4.688 260 1HB ALA 35 1HB ALA 35 -11.446 -15.897 -5.731 261 2HB ALA 35 2HB ALA 35 -10.837 -14.655 -6.851 262 3HB ALA 35 3HB ALA 35 -9.798 -16.026 -6.393 263 H ALA 36 H ALA 36 -8.254 -12.747 -4.233 264 HA ALA 36 HA ALA 36 -9.123 -10.666 -5.889 265 1HB ALA 36 1HB ALA 36 -9.962 -10.400 -2.974 266 2HB ALA 36 2HB ALA 36 -10.146 -9.171 -4.248 267 3HB ALA 36 3HB ALA 36 -11.074 -10.688 -4.333 268 H ALA 37 H ALA 37 -7.794 -11.358 -2.579 269 HA ALA 37 HA ALA 37 -5.859 -10.842 -1.642 270 1HB ALA 37 1HB ALA 37 -5.170 -10.956 -4.556 271 2HB ALA 37 2HB ALA 37 -3.960 -10.272 -3.445 272 3HB ALA 37 3HB ALA 37 -4.556 -11.931 -3.199 273 H VAL 38 H VAL 38 -4.744 -9.014 -0.795 274 HA VAL 38 HA VAL 38 -4.830 -6.515 -2.139 275 HB VAL 38 HB VAL 38 -7.187 -6.735 -1.420 276 1HG1 VAL 38 1HG1 VAL 38 -6.188 -7.880 0.864 277 2HG1 VAL 38 2HG1 VAL 38 -6.599 -6.242 1.427 278 3HG1 VAL 38 3HG1 VAL 38 -7.846 -7.261 0.669 279 1HG2 VAL 38 1HG2 VAL 38 -5.414 -4.563 -0.318 280 2HG2 VAL 38 2HG2 VAL 38 -6.544 -4.515 -1.692 281 3HG2 VAL 38 3HG2 VAL 38 -7.169 -4.530 -0.026 282 H ALA 39 H ALA 39 -3.246 -5.171 -1.307 283 HA ALA 39 HA ALA 39 -2.381 -5.302 1.366 284 1HB ALA 39 1HB ALA 39 0.008 -6.168 0.503 285 2HB ALA 39 2HB ALA 39 -1.241 -7.286 1.105 286 3HB ALA 39 3HB ALA 39 -1.021 -7.056 -0.647 287 H VAL 40 H VAL 40 -1.200 -4.806 -2.036 288 HA VAL 40 HA VAL 40 -0.311 -3.047 -3.035 289 HB VAL 40 HB VAL 40 -1.714 -1.550 -0.814 290 1HG1 VAL 40 1HG1 VAL 40 -1.175 -0.171 -3.375 291 2HG1 VAL 40 2HG1 VAL 40 -1.110 0.438 -1.704 292 3HG1 VAL 40 3HG1 VAL 40 0.258 -0.488 -2.368 293 1HG2 VAL 40 1HG2 VAL 40 -2.849 -1.304 -3.474 294 2HG2 VAL 40 2HG2 VAL 40 -2.746 -3.010 -2.977 295 3HG2 VAL 40 3HG2 VAL 40 -3.612 -1.837 -1.956 296 H ALA 41 H ALA 41 1.878 -3.074 -3.018 297 HA ALA 41 HA ALA 41 3.364 -1.483 -1.335 298 1HB ALA 41 1HB ALA 41 2.515 -3.815 0.015 299 2HB ALA 41 2HB ALA 41 4.219 -4.101 -0.411 300 3HB ALA 41 3HB ALA 41 3.768 -2.663 0.536 301 H ALA 42 H ALA 42 5.251 -1.124 -2.421 302 HA ALA 42 HA ALA 42 6.814 -3.099 -3.576 303 1HB ALA 42 1HB ALA 42 4.821 -1.783 -5.453 304 2HB ALA 42 2HB ALA 42 6.328 -2.542 -6.017 305 3HB ALA 42 3HB ALA 42 5.094 -3.521 -5.188 306 H GLY 43 H GLY 43 8.347 -1.931 -5.351 307 1HA GLY 43 1HA GLY 43 8.581 0.896 -5.151 308 2HA GLY 43 2HA GLY 43 9.684 0.104 -4.043 309 HA PRO 44 HA PRO 44 10.856 -0.877 -8.560 310 1HB PRO 44 1HB PRO 44 10.214 1.043 -10.395 311 2HB PRO 44 2HB PRO 44 9.267 -0.413 -10.160 312 1HG PRO 44 1HG PRO 44 8.662 2.350 -9.300 313 2HG PRO 44 2HG PRO 44 7.573 0.986 -9.458 314 1HD PRO 44 1HD PRO 44 8.649 2.051 -7.021 315 2HD PRO 44 2HD PRO 44 7.654 0.618 -7.190 316 H VAL 45 H VAL 45 12.518 0.122 -10.181 317 HA VAL 45 HA VAL 45 13.706 2.530 -9.387 318 HB VAL 45 HB VAL 45 14.189 1.122 -7.373 319 1HG1 VAL 45 1HG1 VAL 45 16.431 -0.327 -8.413 320 2HG1 VAL 45 2HG1 VAL 45 14.989 -0.948 -7.575 321 3HG1 VAL 45 3HG1 VAL 45 14.982 -0.772 -9.346 322 1HG2 VAL 45 1HG2 VAL 45 16.409 1.939 -7.103 323 2HG2 VAL 45 2HG2 VAL 45 16.709 1.915 -8.857 324 3HG2 VAL 45 3HG2 VAL 45 15.572 3.097 -8.165 325 H GLU 46 H GLU 46 15.815 2.865 -10.575 326 HA GLU 46 HA GLU 46 16.690 0.956 -12.396 327 1HB GLU 46 1HB GLU 46 14.321 2.295 -13.239 328 2HB GLU 46 2HB GLU 46 15.626 2.999 -14.173 329 1HG GLU 46 1HG GLU 46 15.313 1.177 -15.530 330 2HG GLU 46 2HG GLU 46 16.317 0.358 -14.350 331 H ALA 47 H ALA 47 18.462 1.822 -13.784 332 HA ALA 47 HA ALA 47 20.105 3.569 -12.472 333 1HB ALA 47 1HB ALA 47 21.515 3.071 -14.177 334 2HB ALA 47 2HB ALA 47 20.224 1.967 -14.711 335 3HB ALA 47 3HB ALA 47 20.352 3.596 -15.417 336 H ALA 48 H ALA 48 20.984 5.700 -13.699 337 HA ALA 48 HA ALA 48 20.617 7.832 -14.156 338 1HB ALA 48 1HB ALA 48 19.713 7.093 -16.262 339 2HB ALA 48 2HB ALA 48 18.159 6.661 -15.510 340 3HB ALA 48 3HB ALA 48 18.637 8.370 -15.646 341 H GLU 49 H GLU 49 20.311 7.534 -11.615 342 HA GLU 49 HA GLU 49 17.615 8.174 -10.837 343 1HB GLU 49 1HB GLU 49 20.164 7.508 -9.335 344 2HB GLU 49 2HB GLU 49 18.783 8.178 -8.489 345 1HG GLU 49 1HG GLU 49 17.348 6.322 -9.299 346 2HG GLU 49 2HG GLU 49 18.681 5.670 -10.231 347 H GLU 50 H GLU 50 17.166 10.076 -9.404 348 HA GLU 50 HA GLU 50 18.638 12.333 -10.422 349 1HB GLU 50 1HB GLU 50 15.922 11.829 -9.399 350 2HB GLU 50 2HB GLU 50 16.612 13.299 -8.742 351 1HG GLU 50 1HG GLU 50 16.806 12.728 -11.717 352 2HG GLU 50 2HG GLU 50 15.328 13.389 -11.045 353 H LYS 51 H LYS 51 18.931 14.236 -8.726 354 HA LYS 51 HA LYS 51 19.807 13.095 -6.173 355 1HB LYS 51 1HB LYS 51 21.753 13.292 -7.691 356 2HB LYS 51 2HB LYS 51 21.424 15.001 -7.893 357 1HG LYS 51 1HG LYS 51 21.983 15.514 -5.645 358 2HG LYS 51 2HG LYS 51 21.727 13.869 -5.098 359 1HD LYS 51 1HD LYS 51 23.745 13.116 -6.341 360 2HD LYS 51 2HD LYS 51 23.986 14.735 -6.965 361 1HE LYS 51 1HE LYS 51 25.471 14.484 -5.070 362 2HE LYS 51 2HE LYS 51 24.187 15.565 -4.568 363 1HZ LYS 51 1HZ LYS 51 24.908 13.318 -3.297 364 2HZ LYS 51 2HZ LYS 51 23.489 14.099 -3.083 365 3HZ LYS 51 3HZ LYS 51 23.575 12.827 -4.104 366 H THR 52 H THR 52 17.547 13.961 -5.703 367 HA THR 52 HA THR 52 17.803 16.805 -5.003 368 HB THR 52 HB THR 52 15.331 16.972 -5.619 369 HG1 THR 52 1HG THR 52 14.952 14.645 -5.545 370 1HG2 THR 52 1HG2 THR 52 17.105 17.651 -7.302 371 2HG2 THR 52 2HG2 THR 52 17.105 15.978 -7.911 372 3HG2 THR 52 3HG2 THR 52 15.643 16.982 -8.067 373 H GLU 53 H GLU 53 18.503 14.573 -3.362 374 HA GLU 53 HA GLU 53 16.310 14.765 -1.449 375 1HB GLU 53 1HB GLU 53 18.067 12.364 -2.096 376 2HB GLU 53 2HB GLU 53 17.094 12.457 -0.642 377 1HG GLU 53 1HG GLU 53 15.037 12.753 -2.018 378 2HG GLU 53 2HG GLU 53 15.998 12.709 -3.483 379 H PHE 54 H PHE 54 17.432 16.663 -0.574 380 HA PHE 54 HA PHE 54 19.944 15.988 0.771 381 1HB PHE 54 1HB PHE 54 18.492 18.536 -0.114 382 2HB PHE 54 2HB PHE 54 19.786 18.634 1.064 383 HD1 PHE 54 1HD PHE 54 19.045 17.437 -2.377 384 HD2 PHE 54 2HD PHE 54 22.009 18.752 0.361 385 HE1 PHE 54 1HE PHE 54 20.732 17.502 -4.235 386 HE2 PHE 54 2HE PHE 54 23.696 18.817 -1.497 387 HZ PHE 54 HZ PHE 54 23.038 18.191 -3.772 388 H ASP 55 H ASP 55 20.204 16.367 3.025 389 HA ASP 55 HA ASP 55 17.645 16.605 4.391 390 1HB ASP 55 1HB ASP 55 20.294 15.373 5.284 391 2HB ASP 55 2HB ASP 55 18.886 15.509 6.318 392 H VAL 56 H VAL 56 17.378 18.383 5.786 393 HA VAL 56 HA VAL 56 19.768 20.027 6.238 394 HB VAL 56 HB VAL 56 16.844 20.796 6.152 395 1HG1 VAL 56 1HG1 VAL 56 19.331 22.517 6.437 396 2HG1 VAL 56 2HG1 VAL 56 17.667 23.118 6.235 397 3HG1 VAL 56 3HG1 VAL 56 18.113 22.206 7.697 398 1HG2 VAL 56 1HG2 VAL 56 18.253 22.159 4.150 399 2HG2 VAL 56 2HG2 VAL 56 18.840 20.481 4.064 400 3HG2 VAL 56 3HG2 VAL 56 17.098 20.821 3.932 401 H ILE 57 H ILE 57 20.598 19.776 8.244 402 HA ILE 57 HA ILE 57 18.694 19.188 10.396 403 HB ILE 57 HB ILE 57 21.594 18.509 9.987 404 1HG1 ILE 57 1HG1 ILE 57 19.420 16.635 10.875 405 2HG1 ILE 57 2HG1 ILE 57 19.521 17.099 9.189 406 1HG2 ILE 57 1HG2 ILE 57 21.545 17.567 12.304 407 2HG2 ILE 57 2HG2 ILE 57 21.525 19.345 12.226 408 3HG2 ILE 57 3HG2 ILE 57 20.025 18.453 12.576 409 1HD1 ILE 57 1HD1 ILE 57 21.867 16.327 9.075 410 2HD1 ILE 57 2HD1 ILE 57 21.827 15.922 10.808 411 3HD1 ILE 57 3HD1 ILE 57 20.812 15.018 9.659 412 H LEU 58 H LEU 58 18.807 20.387 12.363 413 HA LEU 58 HA LEU 58 20.187 22.953 12.026 414 1HB LEU 58 1HB LEU 58 17.898 23.353 12.193 415 2HB LEU 58 2HB LEU 58 17.665 22.128 13.424 416 HG LEU 58 HG LEU 58 19.363 24.526 14.043 417 1HD1 LEU 58 1HD1 LEU 58 17.393 25.520 13.066 418 2HD1 LEU 58 2HD1 LEU 58 16.334 24.484 14.052 419 3HD1 LEU 58 3HD1 LEU 58 17.344 25.724 14.833 420 1HD2 LEU 58 1HD2 LEU 58 18.010 22.359 15.520 421 2HD2 LEU 58 2HD2 LEU 58 19.482 23.281 15.909 422 3HD2 LEU 58 3HD2 LEU 58 17.880 23.977 16.252 423 H LYS 59 H LYS 59 21.984 23.296 13.210 424 HA LYS 59 HA LYS 59 22.548 21.369 15.317 425 1HB LYS 59 1HB LYS 59 24.293 23.357 13.837 426 2HB LYS 59 2HB LYS 59 24.859 22.346 15.151 427 1HG LYS 59 1HG LYS 59 23.883 20.346 13.760 428 2HG LYS 59 2HG LYS 59 23.845 21.476 12.421 429 1HD LYS 59 1HD LYS 59 26.344 20.871 14.072 430 2HD LYS 59 2HD LYS 59 25.967 20.094 12.547 431 1HE LYS 59 1HE LYS 59 25.738 22.604 11.665 432 2HE LYS 59 2HE LYS 59 26.720 22.979 13.067 433 1HZ LYS 59 1HZ LYS 59 27.401 21.217 10.832 434 2HZ LYS 59 2HZ LYS 59 28.196 22.547 11.348 435 3HZ LYS 59 3HZ LYS 59 28.233 21.177 12.237 436 H ALA 60 H ALA 60 22.783 24.961 14.790 437 HA ALA 60 HA ALA 60 21.979 25.278 17.587 438 1HB ALA 60 1HB ALA 60 24.237 26.862 16.318 439 2HB ALA 60 2HB ALA 60 23.768 26.790 18.034 440 3HB ALA 60 3HB ALA 60 24.518 25.375 17.257 441 H ALA 61 H ALA 61 20.363 26.759 17.805 442 HA ALA 61 HA ALA 61 19.321 28.026 15.504 443 1HB ALA 61 1HB ALA 61 17.697 28.950 17.072 444 2HB ALA 61 2HB ALA 61 17.999 27.243 17.476 445 3HB ALA 61 3HB ALA 61 18.744 28.533 18.450 446 H GLY 62 H GLY 62 21.756 28.853 17.904 447 1HA GLY 62 1HA GLY 62 23.225 30.584 17.873 448 2HA GLY 62 2HA GLY 62 22.411 31.262 16.476 449 H ALA 63 H ALA 63 22.572 33.400 17.467 450 HA ALA 63 HA ALA 63 21.042 33.768 19.916 451 1HB ALA 63 1HB ALA 63 22.772 35.645 18.253 452 2HB ALA 63 2HB ALA 63 21.996 36.064 19.799 453 3HB ALA 63 3HB ALA 63 23.256 34.807 19.748 454 H ASN 64 H ASN 64 19.525 32.871 17.673 455 HA ASN 64 HA ASN 64 17.765 35.123 17.484 456 1HB ASN 64 1HB ASN 64 19.464 35.002 15.422 457 2HB ASN 64 2HB ASN 64 18.427 33.695 14.886 458 1HD2 ASN 64 1HD2 ASN 64 18.917 36.348 13.756 459 2HD2 ASN 64 2HD2 ASN 64 17.382 37.137 13.610 460 H LYS 65 H LYS 65 17.171 33.014 19.012 461 HA LYS 65 HA LYS 65 16.282 30.691 17.734 462 1HB LYS 65 1HB LYS 65 16.707 31.448 20.306 463 2HB LYS 65 2HB LYS 65 14.958 31.519 20.257 464 1HG LYS 65 1HG LYS 65 14.989 29.175 19.213 465 2HG LYS 65 2HG LYS 65 16.709 29.124 19.544 466 1HD LYS 65 1HD LYS 65 14.609 29.655 21.695 467 2HD LYS 65 2HD LYS 65 15.225 28.055 21.330 468 1HE LYS 65 1HE LYS 65 16.877 28.495 22.834 469 2HE LYS 65 2HE LYS 65 17.571 29.541 21.612 470 1HZ LYS 65 1HZ LYS 65 17.299 30.841 23.501 471 2HZ LYS 65 2HZ LYS 65 16.060 31.294 22.538 472 3HZ LYS 65 3HZ LYS 65 15.789 30.301 23.806 473 H VAL 66 H VAL 66 14.916 33.917 18.060 474 HA VAL 66 HA VAL 66 12.212 33.212 17.802 475 HB VAL 66 HB VAL 66 13.789 35.719 17.222 476 1HG1 VAL 66 1HG1 VAL 66 11.992 36.172 15.866 477 2HG1 VAL 66 2HG1 VAL 66 10.889 35.117 16.782 478 3HG1 VAL 66 3HG1 VAL 66 11.334 36.715 17.429 479 1HG2 VAL 66 1HG2 VAL 66 12.833 36.527 19.301 480 2HG2 VAL 66 2HG2 VAL 66 11.861 35.046 19.470 481 3HG2 VAL 66 3HG2 VAL 66 13.635 34.963 19.586 482 H ALA 67 H ALA 67 14.530 34.559 15.338 483 HA ALA 67 HA ALA 67 12.822 34.252 13.184 484 1HB ALA 67 1HB ALA 67 14.875 35.621 13.196 485 2HB ALA 67 2HB ALA 67 15.864 34.145 13.291 486 3HB ALA 67 3HB ALA 67 14.885 34.468 11.841 487 H VAL 68 H VAL 68 15.143 31.968 14.717 488 HA VAL 68 HA VAL 68 15.095 30.019 12.749 489 HB VAL 68 HB VAL 68 15.500 29.943 15.736 490 1HG1 VAL 68 1HG1 VAL 68 14.710 27.738 15.126 491 2HG1 VAL 68 2HG1 VAL 68 15.831 27.675 13.744 492 3HG1 VAL 68 3HG1 VAL 68 16.467 27.669 15.407 493 1HG2 VAL 68 1HG2 VAL 68 17.660 30.392 15.312 494 2HG2 VAL 68 2HG2 VAL 68 17.722 29.261 13.939 495 3HG2 VAL 68 3HG2 VAL 68 17.097 30.911 13.705 496 H ILE 69 H ILE 69 13.090 30.263 15.775 497 HA ILE 69 HA ILE 69 11.587 28.022 15.394 498 HB ILE 69 HB ILE 69 11.070 30.661 16.713 499 1HG1 ILE 69 1HG1 ILE 69 11.179 27.917 17.961 500 2HG1 ILE 69 2HG1 ILE 69 12.645 28.799 17.580 501 1HG2 ILE 69 1HG2 ILE 69 9.007 29.626 17.709 502 2HG2 ILE 69 2HG2 ILE 69 8.877 30.080 15.993 503 3HG2 ILE 69 3HG2 ILE 69 9.107 28.374 16.448 504 1HD1 ILE 69 1HD1 ILE 69 12.111 29.359 19.853 505 2HD1 ILE 69 2HD1 ILE 69 11.652 30.782 18.887 506 3HD1 ILE 69 3HD1 ILE 69 10.401 29.650 19.453 507 H LYS 70 H LYS 70 11.262 31.245 13.861 508 HA LYS 70 HA LYS 70 8.752 30.746 12.700 509 1HB LYS 70 1HB LYS 70 10.983 32.701 12.142 510 2HB LYS 70 2HB LYS 70 9.548 32.643 11.139 511 1HG LYS 70 1HG LYS 70 8.157 32.865 13.282 512 2HG LYS 70 2HG LYS 70 9.654 33.156 14.145 513 1HD LYS 70 1HD LYS 70 9.803 34.901 11.936 514 2HD LYS 70 2HD LYS 70 8.119 34.975 12.413 515 1HE LYS 70 1HE LYS 70 8.864 35.398 14.802 516 2HE LYS 70 2HE LYS 70 10.523 35.447 14.239 517 1HZ LYS 70 1HZ LYS 70 8.400 37.201 13.214 518 2HZ LYS 70 2HZ LYS 70 9.462 37.628 14.379 519 3HZ LYS 70 3HZ LYS 70 9.994 37.299 12.871 520 H ALA 71 H ALA 71 12.138 30.448 11.434 521 HA ALA 71 HA ALA 71 11.456 29.584 8.899 522 1HB ALA 71 1HB ALA 71 13.863 28.788 10.587 523 2HB ALA 71 2HB ALA 71 13.756 28.762 8.811 524 3HB ALA 71 3HB ALA 71 13.711 30.313 9.682 525 H VAL 72 H VAL 72 11.812 27.783 11.997 526 HA VAL 72 HA VAL 72 11.695 25.225 10.910 527 HB VAL 72 HB VAL 72 10.843 26.319 13.596 528 1HG1 VAL 72 1HG1 VAL 72 11.098 23.976 14.404 529 2HG1 VAL 72 2HG1 VAL 72 9.747 24.184 13.263 530 3HG1 VAL 72 3HG1 VAL 72 11.270 23.445 12.714 531 1HG2 VAL 72 1HG2 VAL 72 13.000 26.252 14.223 532 2HG2 VAL 72 2HG2 VAL 72 13.286 24.695 13.409 533 3HG2 VAL 72 3HG2 VAL 72 13.361 26.212 12.480 534 H ARG 73 H ARG 73 8.998 26.707 12.823 535 HA ARG 73 HA ARG 73 7.113 25.000 11.962 536 1HB ARG 73 1HB ARG 73 5.451 26.763 12.618 537 2HB ARG 73 2HB ARG 73 6.742 26.608 13.793 538 1HG ARG 73 1HG ARG 73 6.954 28.871 13.577 539 2HG ARG 73 2HG ARG 73 7.816 28.503 12.096 540 1HD ARG 73 1HD ARG 73 5.909 28.920 10.727 541 2HD ARG 73 2HD ARG 73 4.789 28.731 12.061 542 HE ARG 73 HE ARG 73 6.298 31.149 11.374 543 1HH1 ARG 73 2HH2 ARG 73 4.600 29.446 13.943 544 2HH1 ARG 73 1HH2 ARG 73 4.265 30.884 14.849 545 1HH2 ARG 73 2HH1 ARG 73 5.855 33.046 12.567 546 2HH2 ARG 73 1HH1 ARG 73 4.988 32.945 14.064 547 H GLY 74 H GLY 74 8.543 27.749 10.256 548 1HA GLY 74 1HA GLY 74 6.436 28.181 8.390 549 2HA GLY 74 2HA GLY 74 8.088 28.758 8.289 550 H ALA 75 H ALA 75 9.332 26.062 8.543 551 HA ALA 75 HA ALA 75 9.070 25.380 5.747 552 1HB ALA 75 1HB ALA 75 10.947 24.460 7.960 553 2HB ALA 75 2HB ALA 75 11.067 23.961 6.256 554 3HB ALA 75 3HB ALA 75 11.294 25.669 6.701 555 H THR 76 H THR 76 7.919 24.312 8.869 556 HA THR 76 HA THR 76 7.095 21.753 7.660 557 HB THR 76 HB THR 76 7.227 20.861 9.988 558 HG1 THR 76 1HG THR 76 8.489 23.397 10.631 559 1HG2 THR 76 1HG2 THR 76 9.368 20.777 8.723 560 2HG2 THR 76 2HG2 THR 76 9.719 22.458 9.192 561 3HG2 THR 76 3HG2 THR 76 9.682 21.178 10.429 562 H GLY 77 H GLY 77 6.086 23.671 10.559 563 1HA GLY 77 1HA GLY 77 3.973 24.922 10.333 564 2HA GLY 77 2HA GLY 77 3.330 23.529 9.488 565 H LEU 78 H LEU 78 5.591 22.806 12.059 566 HA LEU 78 HA LEU 78 3.580 21.446 13.524 567 1HB LEU 78 1HB LEU 78 6.486 22.041 14.080 568 2HB LEU 78 2HB LEU 78 5.474 21.069 15.130 569 HG LEU 78 HG LEU 78 5.839 20.369 12.217 570 1HD1 LEU 78 1HD1 LEU 78 7.661 18.869 12.836 571 2HD1 LEU 78 2HD1 LEU 78 8.077 20.562 13.197 572 3HD1 LEU 78 3HD1 LEU 78 7.599 19.463 14.513 573 1HD2 LEU 78 1HD2 LEU 78 5.030 18.777 14.663 574 2HD2 LEU 78 2HD2 LEU 78 3.999 19.254 13.293 575 3HD2 LEU 78 3HD2 LEU 78 5.320 18.086 13.049 576 H GLY 79 H GLY 79 2.954 21.856 15.770 577 1HA GLY 79 1HA GLY 79 2.007 24.409 16.223 578 2HA GLY 79 2HA GLY 79 2.227 23.170 17.442 579 H LEU 80 H LEU 80 2.688 26.185 17.481 580 HA LEU 80 HA LEU 80 5.250 26.980 17.403 581 1HB LEU 80 1HB LEU 80 3.056 28.144 18.172 582 2HB LEU 80 2HB LEU 80 3.550 27.654 19.781 583 HG LEU 80 HG LEU 80 5.725 28.863 19.411 584 1HD1 LEU 80 1HD1 LEU 80 6.174 29.221 17.227 585 2HD1 LEU 80 2HD1 LEU 80 4.456 29.347 16.776 586 3HD1 LEU 80 3HD1 LEU 80 5.284 30.735 17.523 587 1HD2 LEU 80 1HD2 LEU 80 4.801 31.079 19.830 588 2HD2 LEU 80 2HD2 LEU 80 3.212 30.548 19.227 589 3HD2 LEU 80 3HD2 LEU 80 3.887 29.832 20.711 590 H LYS 81 H LYS 81 3.701 25.093 20.076 591 HA LYS 81 HA LYS 81 5.935 25.036 21.726 592 1HB LYS 81 1HB LYS 81 3.614 24.461 22.388 593 2HB LYS 81 2HB LYS 81 3.720 22.980 21.457 594 1HG LYS 81 1HG LYS 81 5.727 22.303 22.849 595 2HG LYS 81 2HG LYS 81 5.497 23.741 23.824 596 1HD LYS 81 1HD LYS 81 4.310 22.171 25.086 597 2HD LYS 81 2HD LYS 81 3.020 22.837 24.104 598 1HE LYS 81 1HE LYS 81 3.217 20.962 22.500 599 2HE LYS 81 2HE LYS 81 4.597 20.323 23.372 600 1HZ LYS 81 1HZ LYS 81 1.869 20.590 24.432 601 2HZ LYS 81 2HZ LYS 81 2.616 19.197 24.021 602 3HZ LYS 81 3HZ LYS 81 3.150 20.065 25.298 603 H GLU 82 H GLU 82 4.735 22.393 19.529 604 HA GLU 82 HA GLU 82 6.737 20.678 19.801 605 1HB GLU 82 1HB GLU 82 5.163 21.482 17.338 606 2HB GLU 82 2HB GLU 82 6.354 20.200 17.248 607 1HG GLU 82 1HG GLU 82 4.343 20.105 19.496 608 2HG GLU 82 2HG GLU 82 3.791 19.698 17.883 609 H ALA 83 H ALA 83 6.759 23.581 17.638 610 HA ALA 83 HA ALA 83 9.244 23.060 16.476 611 1HB ALA 83 1HB ALA 83 7.520 24.640 15.620 612 2HB ALA 83 2HB ALA 83 7.861 25.725 16.990 613 3HB ALA 83 3HB ALA 83 9.121 25.403 15.774 614 H LYS 84 H LYS 84 8.274 24.947 19.406 615 HA LYS 84 HA LYS 84 10.774 25.985 19.980 616 1HB LYS 84 1HB LYS 84 8.751 26.798 21.027 617 2HB LYS 84 2HB LYS 84 8.460 25.250 21.793 618 1HG LYS 84 1HG LYS 84 10.427 25.471 23.199 619 2HG LYS 84 2HG LYS 84 11.009 26.847 22.284 620 1HD LYS 84 1HD LYS 84 9.249 28.276 23.105 621 2HD LYS 84 2HD LYS 84 8.323 26.919 23.715 622 1HE LYS 84 1HE LYS 84 9.390 27.954 25.625 623 2HE LYS 84 2HE LYS 84 10.218 26.436 25.344 624 1HZ LYS 84 1HZ LYS 84 11.167 28.991 24.256 625 2HZ LYS 84 2HZ LYS 84 11.676 28.381 25.682 626 3HZ LYS 84 3HZ LYS 84 11.975 27.573 24.295 627 H ASP 85 H ASP 85 9.215 22.942 21.209 628 HA ASP 85 HA ASP 85 11.288 22.145 22.775 629 1HB ASP 85 1HB ASP 85 9.437 20.408 21.073 630 2HB ASP 85 2HB ASP 85 10.388 19.819 22.422 631 H LEU 86 H LEU 86 10.607 21.487 19.268 632 HA LEU 86 HA LEU 86 12.591 19.703 18.719 633 1HB LEU 86 1HB LEU 86 10.809 20.376 17.191 634 2HB LEU 86 2HB LEU 86 11.552 21.951 16.988 635 HG LEU 86 HG LEU 86 13.224 19.563 16.347 636 1HD1 LEU 86 1HD1 LEU 86 12.189 19.704 13.970 637 2HD1 LEU 86 2HD1 LEU 86 11.367 18.749 15.227 638 3HD1 LEU 86 3HD1 LEU 86 10.770 20.373 14.811 639 1HD2 LEU 86 1HD2 LEU 86 13.952 21.082 14.491 640 2HD2 LEU 86 2HD2 LEU 86 12.889 22.335 15.177 641 3HD2 LEU 86 3HD2 LEU 86 14.255 21.706 16.131 642 H VAL 87 H VAL 87 12.839 23.321 18.424 643 HA VAL 87 HA VAL 87 15.539 23.296 17.756 644 HB VAL 87 HB VAL 87 13.738 25.371 19.005 645 1HG1 VAL 87 1HG1 VAL 87 16.630 25.574 18.153 646 2HG1 VAL 87 2HG1 VAL 87 15.551 26.989 18.149 647 3HG1 VAL 87 3HG1 VAL 87 15.867 26.115 19.667 648 1HG2 VAL 87 1HG2 VAL 87 13.116 24.692 16.745 649 2HG2 VAL 87 2HG2 VAL 87 13.773 26.346 16.734 650 3HG2 VAL 87 3HG2 VAL 87 14.776 24.986 16.176 651 H GLU 88 H GLU 88 13.834 23.324 20.913 652 HA GLU 88 HA GLU 88 16.148 23.945 22.373 653 1HB GLU 88 1HB GLU 88 13.411 22.854 23.093 654 2HB GLU 88 2HB GLU 88 14.659 23.002 24.314 655 1HG GLU 88 1HG GLU 88 14.916 25.442 23.703 656 2HG GLU 88 2HG GLU 88 13.595 25.270 22.565 657 H SER 89 H SER 89 15.108 21.106 20.746 658 HA SER 89 HA SER 89 16.616 19.422 22.574 659 1HB SER 89 1HB SER 89 15.461 17.533 21.584 660 2HB SER 89 2HB SER 89 14.266 18.749 21.985 661 HG SER 89 HG SER 89 14.928 17.688 19.518 662 H ALA 90 H ALA 90 17.675 21.401 20.486 663 HA ALA 90 HA ALA 90 18.601 20.128 18.230 664 1HB ALA 90 1HB ALA 90 20.458 21.862 18.391 665 2HB ALA 90 2HB ALA 90 18.801 22.506 18.486 666 3HB ALA 90 3HB ALA 90 19.773 22.330 19.966 667 HA PRO 91 HA PRO 91 20.282 20.075 17.098 668 1HB PRO 91 1HB PRO 91 21.295 18.044 15.576 669 2HB PRO 91 2HB PRO 91 22.264 19.386 16.150 670 1HG PRO 91 1HG PRO 91 22.199 16.597 17.126 671 2HG PRO 91 2HG PRO 91 23.427 17.821 17.381 672 1HD PRO 91 1HD PRO 91 21.449 16.955 19.269 673 2HD PRO 91 2HD PRO 91 22.601 18.258 19.482 674 H ALA 92 H ALA 92 18.827 19.736 15.317 675 HA ALA 92 HA ALA 92 17.156 17.380 15.668 676 1HB ALA 92 1HB ALA 92 15.171 19.137 15.451 677 2HB ALA 92 2HB ALA 92 15.862 18.725 17.039 678 3HB ALA 92 3HB ALA 92 16.354 20.225 16.216 679 H ALA 93 H ALA 93 16.411 16.612 13.714 680 HA ALA 93 HA ALA 93 17.429 17.828 11.357 681 1HB ALA 93 1HB ALA 93 16.353 15.938 10.244 682 2HB ALA 93 2HB ALA 93 17.176 15.371 11.718 683 3HB ALA 93 3HB ALA 93 15.408 15.578 11.709 684 H LEU 94 H LEU 94 16.499 19.332 10.047 685 HA LEU 94 HA LEU 94 13.901 20.320 10.828 686 1HB LEU 94 1HB LEU 94 16.216 21.276 9.265 687 2HB LEU 94 2HB LEU 94 14.650 21.816 8.693 688 HG LEU 94 HG LEU 94 15.569 22.142 11.559 689 1HD1 LEU 94 1HD1 LEU 94 16.154 24.436 11.037 690 2HD1 LEU 94 2HD1 LEU 94 17.105 23.317 10.030 691 3HD1 LEU 94 3HD1 LEU 94 15.720 24.188 9.328 692 1HD2 LEU 94 1HD2 LEU 94 13.258 22.335 11.576 693 2HD2 LEU 94 2HD2 LEU 94 13.792 24.022 11.385 694 3HD2 LEU 94 3HD2 LEU 94 13.204 23.109 9.974 695 H LYS 95 H LYS 95 15.493 18.963 7.864 696 HA LYS 95 HA LYS 95 12.915 17.839 7.137 697 1HB LYS 95 1HB LYS 95 14.440 19.367 5.039 698 2HB LYS 95 2HB LYS 95 12.777 18.815 5.015 699 1HG LYS 95 1HG LYS 95 12.270 20.419 6.914 700 2HG LYS 95 2HG LYS 95 13.911 21.024 6.796 701 1HD LYS 95 1HD LYS 95 12.802 22.553 5.424 702 2HD LYS 95 2HD LYS 95 13.309 21.373 4.232 703 1HE LYS 95 1HE LYS 95 11.057 20.232 4.470 704 2HE LYS 95 2HE LYS 95 10.560 21.510 5.562 705 1HZ LYS 95 1HZ LYS 95 9.852 22.054 3.395 706 2HZ LYS 95 2HZ LYS 95 11.072 23.080 3.750 707 3HZ LYS 95 3HZ LYS 95 11.332 21.818 2.746 708 H GLU 96 H GLU 96 13.139 16.116 5.483 709 HA GLU 96 HA GLU 96 15.882 15.214 5.202 710 1HB GLU 96 1HB GLU 96 13.584 13.493 6.231 711 2HB GLU 96 2HB GLU 96 15.159 12.873 5.776 712 1HG GLU 96 1HG GLU 96 16.198 14.450 7.487 713 2HG GLU 96 2HG GLU 96 14.579 14.880 8.004 714 H GLY 97 H GLY 97 16.305 14.683 3.097 715 1HA GLY 97 1HA GLY 97 15.994 14.002 0.976 716 2HA GLY 97 2HA GLY 97 14.540 13.174 1.495 717 H VAL 98 H VAL 98 15.524 16.678 1.397 718 HA VAL 98 HA VAL 98 13.051 17.164 -0.115 719 HB VAL 98 HB VAL 98 13.249 19.478 0.811 720 1HG1 VAL 98 1HG1 VAL 98 12.214 18.945 2.898 721 2HG1 VAL 98 2HG1 VAL 98 11.774 17.655 1.754 722 3HG1 VAL 98 3HG1 VAL 98 13.034 17.367 2.977 723 1HG2 VAL 98 1HG2 VAL 98 15.192 18.308 2.814 724 2HG2 VAL 98 2HG2 VAL 98 15.732 19.190 1.365 725 3HG2 VAL 98 3HG2 VAL 98 14.722 20.009 2.580 726 H SER 99 H SER 99 13.197 19.005 -1.702 727 HA SER 99 HA SER 99 15.246 18.519 -3.464 728 1HB SER 99 1HB SER 99 14.399 20.525 -4.676 729 2HB SER 99 2HB SER 99 13.102 19.462 -4.167 730 HG SER 99 HG SER 99 12.480 20.891 -2.574 731 H LYS 100 H LYS 100 17.147 19.727 -4.061 732 HA LYS 100 HA LYS 100 18.603 20.738 -1.939 733 1HB LYS 100 1HB LYS 100 19.531 19.782 -4.032 734 2HB LYS 100 2HB LYS 100 19.021 21.213 -4.905 735 1HG LYS 100 1HG LYS 100 20.607 21.761 -2.438 736 2HG LYS 100 2HG LYS 100 21.485 20.918 -3.699 737 1HD LYS 100 1HD LYS 100 20.717 22.698 -5.343 738 2HD LYS 100 2HD LYS 100 19.993 23.566 -4.004 739 1HE LYS 100 1HE LYS 100 22.261 23.646 -2.881 740 2HE LYS 100 2HE LYS 100 22.956 22.872 -4.291 741 1HZ LYS 100 1HZ LYS 100 23.224 25.114 -4.663 742 2HZ LYS 100 2HZ LYS 100 21.897 24.778 -5.553 743 3HZ LYS 100 3HZ LYS 100 21.744 25.523 -4.108 744 H ASP 101 H ASP 101 16.673 22.425 -4.481 745 HA ASP 101 HA ASP 101 17.492 24.955 -3.968 746 1HB ASP 101 1HB ASP 101 14.705 23.935 -4.688 747 2HB ASP 101 2HB ASP 101 15.163 25.624 -4.773 748 H ASP 102 H ASP 102 14.902 22.972 -2.390 749 HA ASP 102 HA ASP 102 13.896 25.038 -0.827 750 1HB ASP 102 1HB ASP 102 13.836 22.006 -0.638 751 2HB ASP 102 2HB ASP 102 13.107 22.981 0.622 752 H ALA 103 H ALA 103 16.370 22.446 -0.315 753 HA ALA 103 HA ALA 103 16.750 22.798 2.411 754 1HB ALA 103 1HB ALA 103 18.628 21.883 0.197 755 2HB ALA 103 2HB ALA 103 18.970 21.713 1.935 756 3HB ALA 103 3HB ALA 103 17.584 20.861 1.213 757 H GLU 104 H GLU 104 18.368 24.356 -0.432 758 HA GLU 104 HA GLU 104 20.139 25.790 1.213 759 1HB GLU 104 1HB GLU 104 20.372 25.124 -1.291 760 2HB GLU 104 2HB GLU 104 19.388 26.533 -1.636 761 1HG GLU 104 1HG GLU 104 21.073 27.893 -0.224 762 2HG GLU 104 2HG GLU 104 22.099 26.472 -0.241 763 H ALA 105 H ALA 105 16.834 26.269 0.119 764 HA ALA 105 HA ALA 105 16.786 29.081 0.216 765 1HB ALA 105 1HB ALA 105 14.319 28.729 0.267 766 2HB ALA 105 2HB ALA 105 15.120 27.751 -0.987 767 3HB ALA 105 3HB ALA 105 14.594 26.991 0.534 768 H LEU 106 H LEU 106 15.854 26.510 2.603 769 HA LEU 106 HA LEU 106 15.251 28.387 4.630 770 1HB LEU 106 1HB LEU 106 14.435 25.989 4.345 771 2HB LEU 106 2HB LEU 106 15.979 25.488 5.004 772 HG LEU 106 HG LEU 106 15.475 26.846 7.058 773 1HD1 LEU 106 1HD1 LEU 106 13.915 28.451 6.431 774 2HD1 LEU 106 2HD1 LEU 106 12.885 27.271 5.586 775 3HD1 LEU 106 3HD1 LEU 106 12.946 27.285 7.365 776 1HD2 LEU 106 1HD2 LEU 106 15.182 24.448 7.073 777 2HD2 LEU 106 2HD2 LEU 106 13.863 25.215 7.989 778 3HD2 LEU 106 3HD2 LEU 106 13.566 24.604 6.344 779 H LYS 107 H LYS 107 18.168 26.515 3.681 780 HA LYS 107 HA LYS 107 19.699 26.957 5.917 781 1HB LYS 107 1HB LYS 107 20.164 25.498 3.876 782 2HB LYS 107 2HB LYS 107 20.760 26.943 3.084 783 1HG LYS 107 1HG LYS 107 22.085 27.103 5.499 784 2HG LYS 107 2HG LYS 107 21.967 25.365 5.309 785 1HD LYS 107 1HD LYS 107 23.960 25.791 4.162 786 2HD LYS 107 2HD LYS 107 22.809 25.836 2.841 787 1HE LYS 107 1HE LYS 107 22.737 28.466 3.756 788 2HE LYS 107 2HE LYS 107 24.416 28.038 4.019 789 1HZ LYS 107 1HZ LYS 107 22.973 27.692 1.481 790 2HZ LYS 107 2HZ LYS 107 24.035 28.889 1.809 791 3HZ LYS 107 3HZ LYS 107 24.548 27.340 1.734 792 H LYS 108 H LYS 108 19.422 29.017 2.940 793 HA LYS 108 HA LYS 108 21.199 30.966 3.834 794 1HB LYS 108 1HB LYS 108 20.388 32.285 2.010 795 2HB LYS 108 2HB LYS 108 20.447 30.614 1.486 796 1HG LYS 108 1HG LYS 108 18.107 30.378 1.489 797 2HG LYS 108 2HG LYS 108 17.872 31.632 2.690 798 1HD LYS 108 1HD LYS 108 18.553 33.361 0.999 799 2HD LYS 108 2HD LYS 108 18.749 32.099 -0.200 800 1HE LYS 108 1HE LYS 108 16.564 32.880 -0.637 801 2HE LYS 108 2HE LYS 108 16.267 31.462 0.349 802 1HZ LYS 108 1HZ LYS 108 16.318 34.245 1.287 803 2HZ LYS 108 2HZ LYS 108 15.009 33.275 1.176 804 3HZ LYS 108 3HZ LYS 108 16.174 32.953 2.275 805 H ALA 109 H ALA 109 17.752 30.370 4.494 806 HA ALA 109 HA ALA 109 17.167 32.922 5.512 807 1HB ALA 109 1HB ALA 109 15.134 31.936 6.201 808 2HB ALA 109 2HB ALA 109 15.611 30.985 4.774 809 3HB ALA 109 3HB ALA 109 15.877 30.332 6.408 810 H LEU 110 H LEU 110 18.401 29.870 6.996 811 HA LEU 110 HA LEU 110 18.324 30.795 9.635 812 1HB LEU 110 1HB LEU 110 19.722 28.605 8.160 813 2HB LEU 110 2HB LEU 110 20.229 28.980 9.795 814 HG LEU 110 HG LEU 110 18.430 27.135 9.336 815 1HD1 LEU 110 1HD1 LEU 110 19.189 27.734 11.549 816 2HD1 LEU 110 2HD1 LEU 110 18.166 29.191 11.546 817 3HD1 LEU 110 3HD1 LEU 110 17.416 27.576 11.550 818 1HD2 LEU 110 1HD2 LEU 110 16.129 27.909 9.429 819 2HD2 LEU 110 2HD2 LEU 110 16.673 29.604 9.414 820 3HD2 LEU 110 3HD2 LEU 110 16.948 28.569 7.993 821 H GLU 111 H GLU 111 20.836 30.965 7.053 822 HA GLU 111 HA GLU 111 22.827 31.972 8.688 823 1HB GLU 111 1HB GLU 111 22.319 32.213 5.697 824 2HB GLU 111 2HB GLU 111 23.768 32.846 6.453 825 1HG GLU 111 1HG GLU 111 24.135 30.499 7.449 826 2HG GLU 111 2HG GLU 111 22.835 29.942 6.414 827 H GLU 112 H GLU 112 20.276 33.597 6.715 828 HA GLU 112 HA GLU 112 21.152 36.169 7.031 829 1HB GLU 112 1HB GLU 112 18.395 34.953 6.680 830 2HB GLU 112 2HB GLU 112 18.589 36.689 6.826 831 1HG GLU 112 1HG GLU 112 20.288 35.142 4.844 832 2HG GLU 112 2HG GLU 112 18.638 35.567 4.433 833 H ALA 113 H ALA 113 19.377 34.028 9.270 834 HA ALA 113 HA ALA 113 18.816 36.187 11.095 835 1HB ALA 113 1HB ALA 113 17.141 34.544 11.052 836 2HB ALA 113 2HB ALA 113 18.316 33.208 10.993 837 3HB ALA 113 3HB ALA 113 18.075 34.115 12.505 838 H GLY 114 H GLY 114 21.260 33.665 10.548 839 1HA GLY 114 1HA GLY 114 23.436 33.892 11.387 840 2HA GLY 114 2HA GLY 114 22.830 34.814 12.748 841 H ALA 115 H ALA 115 22.164 31.554 11.259 842 HA ALA 115 HA ALA 115 22.523 30.420 13.944 843 1HB ALA 115 1HB ALA 115 20.112 30.626 13.418 844 2HB ALA 115 2HB ALA 115 20.366 29.704 11.917 845 3HB ALA 115 3HB ALA 115 20.622 28.923 13.495 846 H GLU 116 H GLU 116 23.053 28.042 13.858 847 HA GLU 116 HA GLU 116 24.797 27.630 11.583 848 1HB GLU 116 1HB GLU 116 25.645 27.481 13.984 849 2HB GLU 116 2HB GLU 116 24.667 26.040 14.180 850 1HG GLU 116 1HG GLU 116 26.838 25.236 13.581 851 2HG GLU 116 2HG GLU 116 25.878 25.073 12.125 852 H VAL 117 H VAL 117 24.192 26.280 9.948 853 HA VAL 117 HA VAL 117 22.079 24.334 10.574 854 HB VAL 117 HB VAL 117 22.694 25.705 7.949 855 1HG1 VAL 117 1HG1 VAL 117 21.694 23.614 7.465 856 2HG1 VAL 117 2HG1 VAL 117 20.544 23.758 8.816 857 3HG1 VAL 117 3HG1 VAL 117 20.371 24.802 7.384 858 1HG2 VAL 117 1HG2 VAL 117 21.817 27.435 9.233 859 2HG2 VAL 117 2HG2 VAL 117 20.362 26.752 8.469 860 3HG2 VAL 117 3HG2 VAL 117 20.751 26.350 10.159 861 H GLU 118 H GLU 118 22.156 22.335 9.141 862 HA GLU 118 HA GLU 118 24.897 21.757 8.357 863 1HB GLU 118 1HB GLU 118 24.733 20.682 10.488 864 2HB GLU 118 2HB GLU 118 23.106 20.112 10.175 865 1HG GLU 118 1HG GLU 118 23.888 18.513 8.518 866 2HG GLU 118 2HG GLU 118 25.493 19.216 8.503 867 H VAL 119 H VAL 119 25.057 20.807 6.348 868 HA VAL 119 HA VAL 119 22.540 19.808 5.202 869 HB VAL 119 HB VAL 119 24.874 21.148 3.820 870 1HG1 VAL 119 1HG1 VAL 119 23.798 19.511 2.375 871 2HG1 VAL 119 2HG1 VAL 119 22.197 20.195 2.747 872 3HG1 VAL 119 3HG1 VAL 119 23.387 21.158 1.838 873 1HG2 VAL 119 1HG2 VAL 119 22.117 22.179 4.557 874 2HG2 VAL 119 2HG2 VAL 119 23.694 22.801 5.100 875 3HG2 VAL 119 3HG2 VAL 119 23.204 22.981 3.398 876 H LYS 120 H LYS 120 22.515 17.659 4.809 877 HA LYS 120 HA LYS 120 24.998 16.392 3.995 878 1HB LYS 120 1HB LYS 120 24.916 14.673 5.659 879 2HB LYS 120 2HB LYS 120 24.925 16.223 6.477 880 1HG LYS 120 1HG LYS 120 23.173 15.248 7.630 881 2HG LYS 120 2HG LYS 120 22.252 15.933 6.305 882 1HD LYS 120 1HD LYS 120 21.980 13.858 5.229 883 2HD LYS 120 2HD LYS 120 23.424 13.172 5.948 884 1HE LYS 120 1HE LYS 120 21.017 13.912 7.659 885 2HE LYS 120 2HE LYS 120 21.105 12.364 6.842 886 1HZ LYS 120 1HZ LYS 120 23.084 13.403 8.750 887 2HZ LYS 120 2HZ LYS 120 22.003 12.213 9.037 888 3HZ LYS 120 3HZ LYS 120 23.210 11.978 7.962 889 1H SER 1 H SER 1 -4.655 -45.561 -2.100 890 HA SER 1 HA SER 1 -4.383 -44.231 -4.644 891 1HB SER 1 1HB SER 1 -6.972 -45.513 -3.673 892 2HB SER 1 2HB SER 1 -6.924 -44.294 -4.931 893 HG SER 1 HG SER 1 -6.895 -46.342 -5.927 894 H ILE 2 H ILE 2 -3.433 -42.730 -2.924 895 HA ILE 2 HA ILE 2 -5.609 -41.260 -1.605 896 HB ILE 2 HB ILE 2 -2.747 -41.354 -0.675 897 1HG1 ILE 2 1HG1 ILE 2 -5.035 -43.197 0.045 898 2HG1 ILE 2 2HG1 ILE 2 -3.454 -43.630 -0.575 899 1HG2 ILE 2 1HG2 ILE 2 -4.362 -39.480 -0.010 900 2HG2 ILE 2 2HG2 ILE 2 -5.219 -40.721 0.934 901 3HG2 ILE 2 3HG2 ILE 2 -3.517 -40.346 1.294 902 1HD1 ILE 2 1HD1 ILE 2 -3.298 -44.058 1.757 903 2HD1 ILE 2 2HD1 ILE 2 -2.495 -42.482 1.558 904 3HD1 ILE 2 3HD1 ILE 2 -4.162 -42.559 2.177 905 H THR 3 H THR 3 -5.650 -40.401 -3.975 906 HA THR 3 HA THR 3 -3.488 -38.558 -4.550 907 HB THR 3 HB THR 3 -4.850 -38.228 -6.648 908 HG1 THR 3 1HG THR 3 -6.902 -39.204 -6.659 909 1HG2 THR 3 1HG2 THR 3 -3.416 -40.487 -6.033 910 2HG2 THR 3 2HG2 THR 3 -5.033 -41.195 -6.262 911 3HG2 THR 3 3HG2 THR 3 -4.271 -40.273 -7.580 912 H LYS 4 H LYS 4 -3.890 -36.264 -5.037 913 HA LYS 4 HA LYS 4 -5.025 -35.001 -2.855 914 1HB LYS 4 1HB LYS 4 -4.049 -34.130 -5.553 915 2HB LYS 4 2HB LYS 4 -4.930 -32.981 -4.567 916 1HG LYS 4 1HG LYS 4 -3.349 -33.246 -2.717 917 2HG LYS 4 2HG LYS 4 -2.549 -34.580 -3.523 918 1HD LYS 4 1HD LYS 4 -2.716 -31.832 -4.820 919 2HD LYS 4 2HD LYS 4 -1.449 -32.215 -3.672 920 1HE LYS 4 1HE LYS 4 -0.319 -33.524 -5.172 921 2HE LYS 4 2HE LYS 4 -1.780 -34.319 -5.723 922 1HZ LYS 4 1HZ LYS 4 -0.772 -32.964 -7.432 923 2HZ LYS 4 2HZ LYS 4 -2.264 -32.407 -7.070 924 3HZ LYS 4 3HZ LYS 4 -0.943 -31.618 -6.523 925 H ASP 5 H ASP 5 -6.359 -35.653 -6.148 926 HA ASP 5 HA ASP 5 -8.621 -34.126 -5.846 927 1HB ASP 5 1HB ASP 5 -7.918 -36.570 -7.492 928 2HB ASP 5 2HB ASP 5 -9.560 -35.961 -7.532 929 H GLN 6 H GLN 6 -7.966 -37.642 -5.206 930 HA GLN 6 HA GLN 6 -10.512 -38.420 -4.642 931 1HB GLN 6 1HB GLN 6 -7.773 -39.384 -3.940 932 2HB GLN 6 2HB GLN 6 -9.072 -40.014 -2.948 933 1HG GLN 6 1HG GLN 6 -10.106 -41.117 -4.738 934 2HG GLN 6 2HG GLN 6 -9.489 -39.992 -5.932 935 1HE2 GLN 6 1HE2 GLN 6 -9.066 -42.103 -6.995 936 2HE2 GLN 6 2HE2 GLN 6 -7.537 -42.873 -6.731 937 H ILE 7 H ILE 7 -8.260 -36.491 -2.715 938 HA ILE 7 HA ILE 7 -9.611 -36.945 -0.241 939 HB ILE 7 HB ILE 7 -7.454 -35.068 -1.175 940 1HG1 ILE 7 1HG1 ILE 7 -7.269 -37.165 0.981 941 2HG1 ILE 7 2HG1 ILE 7 -7.136 -37.610 -0.708 942 1HG2 ILE 7 1HG2 ILE 7 -8.851 -35.133 1.505 943 2HG2 ILE 7 2HG2 ILE 7 -7.218 -34.463 1.272 944 3HG2 ILE 7 3HG2 ILE 7 -8.605 -33.748 0.415 945 1HD1 ILE 7 1HD1 ILE 7 -4.929 -37.079 0.481 946 2HD1 ILE 7 2HD1 ILE 7 -5.210 -36.200 -1.041 947 3HD1 ILE 7 3HD1 ILE 7 -5.461 -35.381 0.520 948 H ILE 8 H ILE 8 -9.749 -34.581 -2.918 949 HA ILE 8 HA ILE 8 -11.260 -32.640 -1.622 950 HB ILE 8 HB ILE 8 -11.155 -33.451 -4.528 951 1HG1 ILE 8 1HG1 ILE 8 -9.611 -31.378 -2.943 952 2HG1 ILE 8 2HG1 ILE 8 -8.971 -32.853 -3.640 953 1HG2 ILE 8 1HG2 ILE 8 -12.040 -31.242 -5.035 954 2HG2 ILE 8 2HG2 ILE 8 -13.186 -32.160 -4.029 955 3HG2 ILE 8 3HG2 ILE 8 -12.188 -30.880 -3.299 956 1HD1 ILE 8 1HD1 ILE 8 -10.007 -31.860 -5.898 957 2HD1 ILE 8 2HD1 ILE 8 -9.844 -30.321 -5.019 958 3HD1 ILE 8 3HD1 ILE 8 -8.410 -31.335 -5.314 959 H GLU 9 H GLU 9 -12.280 -35.523 -3.569 960 HA GLU 9 HA GLU 9 -14.999 -34.973 -3.234 961 1HB GLU 9 1HB GLU 9 -13.568 -37.578 -3.919 962 2HB GLU 9 2HB GLU 9 -15.297 -37.333 -4.063 963 1HG GLU 9 1HG GLU 9 -14.359 -35.141 -5.450 964 2HG GLU 9 2HG GLU 9 -13.085 -36.298 -5.778 965 H ALA 10 H ALA 10 -12.599 -36.151 -1.071 966 HA ALA 10 HA ALA 10 -14.298 -37.906 0.419 967 1HB ALA 10 1HB ALA 10 -11.705 -37.903 0.154 968 2HB ALA 10 2HB ALA 10 -11.735 -36.640 1.408 969 3HB ALA 10 3HB ALA 10 -12.395 -38.256 1.756 970 H VAL 11 H VAL 11 -13.252 -34.475 0.549 971 HA VAL 11 HA VAL 11 -14.351 -34.007 3.117 972 HB VAL 11 HB VAL 11 -13.443 -32.252 0.840 973 1HG1 VAL 11 1HG1 VAL 11 -14.766 -31.496 3.433 974 2HG1 VAL 11 2HG1 VAL 11 -13.513 -30.443 2.735 975 3HG1 VAL 11 3HG1 VAL 11 -14.984 -30.813 1.804 976 1HG2 VAL 11 1HG2 VAL 11 -11.879 -33.675 2.403 977 2HG2 VAL 11 2HG2 VAL 11 -11.459 -31.993 1.998 978 3HG2 VAL 11 3HG2 VAL 11 -12.200 -32.372 3.572 979 H ALA 12 H ALA 12 -15.598 -34.075 -0.200 980 HA ALA 12 HA ALA 12 -18.042 -32.735 0.599 981 1HB ALA 12 1HB ALA 12 -16.735 -32.499 -1.649 982 2HB ALA 12 2HB ALA 12 -17.505 -34.047 -2.071 983 3HB ALA 12 3HB ALA 12 -18.510 -32.626 -1.699 984 H ALA 13 H ALA 13 -16.872 -35.607 1.417 985 HA ALA 13 HA ALA 13 -19.222 -37.156 0.618 986 1HB ALA 13 1HB ALA 13 -16.825 -38.237 2.101 987 2HB ALA 13 2HB ALA 13 -17.917 -39.065 0.965 988 3HB ALA 13 3HB ALA 13 -16.718 -37.899 0.357 989 H MET 14 H MET 14 -17.590 -35.568 3.330 990 HA MET 14 HA MET 14 -19.482 -36.834 5.142 991 1HB MET 14 1HB MET 14 -16.965 -35.165 5.697 992 2HB MET 14 2HB MET 14 -17.926 -35.965 6.924 993 1HG MET 14 1HG MET 14 -16.994 -38.014 6.491 994 2HG MET 14 2HG MET 14 -17.104 -37.803 4.755 995 1HE MET 14 1HE MET 14 -13.317 -38.549 5.342 996 2HE MET 14 2HE MET 14 -14.840 -39.296 5.882 997 3HE MET 14 3HE MET 14 -14.645 -38.799 4.184 998 H SER 15 H SER 15 -20.112 -35.237 7.074 999 HA SER 15 HA SER 15 -21.515 -33.138 5.804 1000 1HB SER 15 1HB SER 15 -21.905 -32.691 8.479 1001 2HB SER 15 2HB SER 15 -22.835 -33.832 7.529 1002 HG SER 15 HG SER 15 -22.136 -35.182 9.073 1003 H VAL 16 H VAL 16 -21.502 -30.836 6.871 1004 HA VAL 16 HA VAL 16 -18.957 -29.756 6.503 1005 HB VAL 16 HB VAL 16 -21.481 -28.678 7.765 1006 1HG1 VAL 16 1HG1 VAL 16 -20.461 -26.418 7.335 1007 2HG1 VAL 16 2HG1 VAL 16 -19.686 -27.349 8.640 1008 3HG1 VAL 16 3HG1 VAL 16 -18.910 -27.241 7.042 1009 1HG2 VAL 16 1HG2 VAL 16 -20.270 -28.315 5.003 1010 2HG2 VAL 16 2HG2 VAL 16 -21.706 -29.286 5.408 1011 3HG2 VAL 16 3HG2 VAL 16 -21.744 -27.517 5.604 1012 H MET 17 H MET 17 -20.843 -30.549 9.484 1013 HA MET 17 HA MET 17 -19.053 -29.468 11.270 1014 1HB MET 17 1HB MET 17 -21.206 -31.580 11.295 1015 2HB MET 17 2HB MET 17 -20.114 -31.586 12.666 1016 1HG MET 17 1HG MET 17 -21.452 -29.013 11.737 1017 2HG MET 17 2HG MET 17 -22.271 -30.118 12.823 1018 1HE MET 17 1HE MET 17 -21.602 -27.080 13.698 1019 2HE MET 17 2HE MET 17 -22.510 -28.337 14.571 1020 3HE MET 17 3HE MET 17 -21.185 -27.469 15.384 1021 H ASP 18 H ASP 18 -19.224 -32.784 9.835 1022 HA ASP 18 HA ASP 18 -17.224 -33.860 11.411 1023 1HB ASP 18 1HB ASP 18 -18.953 -34.836 9.553 1024 2HB ASP 18 2HB ASP 18 -17.511 -34.767 8.558 1025 H VAL 19 H VAL 19 -17.234 -31.789 8.529 1026 HA VAL 19 HA VAL 19 -14.538 -32.369 7.772 1027 HB VAL 19 HB VAL 19 -16.629 -30.362 6.963 1028 1HG1 VAL 19 1HG1 VAL 19 -15.042 -29.621 5.171 1029 2HG1 VAL 19 2HG1 VAL 19 -14.564 -29.130 6.814 1030 3HG1 VAL 19 3HG1 VAL 19 -13.747 -30.498 6.020 1031 1HG2 VAL 19 1HG2 VAL 19 -15.216 -32.494 5.334 1032 2HG2 VAL 19 2HG2 VAL 19 -16.745 -32.765 6.203 1033 3HG2 VAL 19 3HG2 VAL 19 -16.667 -31.563 4.893 1034 H VAL 20 H VAL 20 -16.278 -29.850 9.667 1035 HA VAL 20 HA VAL 20 -14.202 -28.078 10.011 1036 HB VAL 20 HB VAL 20 -16.566 -28.898 11.673 1037 1HG1 VAL 20 1HG1 VAL 20 -15.121 -28.235 13.401 1038 2HG1 VAL 20 2HG1 VAL 20 -14.381 -26.950 12.417 1039 3HG1 VAL 20 3HG1 VAL 20 -16.045 -26.763 13.021 1040 1HG2 VAL 20 1HG2 VAL 20 -16.735 -27.553 9.502 1041 2HG2 VAL 20 2HG2 VAL 20 -17.532 -26.871 10.940 1042 3HG2 VAL 20 3HG2 VAL 20 -15.966 -26.221 10.398 1043 H GLU 21 H GLU 21 -14.948 -31.152 11.734 1044 HA GLU 21 HA GLU 21 -12.974 -30.856 13.662 1045 1HB GLU 21 1HB GLU 21 -14.444 -33.234 12.494 1046 2HB GLU 21 2HB GLU 21 -13.173 -33.479 13.674 1047 1HG GLU 21 1HG GLU 21 -14.338 -32.124 15.333 1048 2HG GLU 21 2HG GLU 21 -15.508 -31.575 14.150 1049 H LEU 22 H LEU 22 -12.967 -32.368 10.382 1050 HA LEU 22 HA LEU 22 -10.450 -33.483 10.454 1051 1HB LEU 22 1HB LEU 22 -12.269 -33.703 8.716 1052 2HB LEU 22 2HB LEU 22 -11.734 -32.168 8.062 1053 HG LEU 22 HG LEU 22 -10.806 -33.981 6.769 1054 1HD1 LEU 22 1HD1 LEU 22 -9.448 -31.869 7.358 1055 2HD1 LEU 22 2HD1 LEU 22 -8.476 -32.956 8.377 1056 3HD1 LEU 22 3HD1 LEU 22 -8.599 -33.252 6.626 1057 1HD2 LEU 22 1HD2 LEU 22 -10.450 -35.933 7.779 1058 2HD2 LEU 22 2HD2 LEU 22 -8.909 -35.250 8.351 1059 3HD2 LEU 22 3HD2 LEU 22 -10.354 -35.175 9.387 1060 H ILE 23 H ILE 23 -11.296 -30.262 8.986 1061 HA ILE 23 HA ILE 23 -8.713 -29.434 8.606 1062 HB ILE 23 HB ILE 23 -11.342 -28.074 8.959 1063 1HG1 ILE 23 1HG1 ILE 23 -10.712 -27.261 6.645 1064 2HG1 ILE 23 2HG1 ILE 23 -9.309 -28.307 6.728 1065 1HG2 ILE 23 1HG2 ILE 23 -10.187 -25.885 8.452 1066 2HG2 ILE 23 2HG2 ILE 23 -9.987 -26.506 10.108 1067 3HG2 ILE 23 3HG2 ILE 23 -8.664 -26.673 8.930 1068 1HD1 ILE 23 1HD1 ILE 23 -10.680 -30.293 6.928 1069 2HD1 ILE 23 2HD1 ILE 23 -12.148 -29.321 7.184 1070 3HD1 ILE 23 3HD1 ILE 23 -11.351 -29.328 5.592 1071 H SER 24 H SER 24 -10.747 -29.308 11.561 1072 HA SER 24 HA SER 24 -9.125 -27.545 12.944 1073 1HB SER 24 1HB SER 24 -11.226 -29.570 13.680 1074 2HB SER 24 2HB SER 24 -10.243 -28.916 14.975 1075 HG SER 24 HG SER 24 -12.346 -27.764 14.282 1076 H ALA 25 H ALA 25 -9.096 -31.127 12.597 1077 HA ALA 25 HA ALA 25 -7.366 -31.737 14.661 1078 1HB ALA 25 1HB ALA 25 -6.772 -33.615 12.777 1079 2HB ALA 25 2HB ALA 25 -8.246 -33.644 13.774 1080 3HB ALA 25 3HB ALA 25 -8.301 -32.976 12.125 1081 H MET 26 H MET 26 -6.600 -31.118 11.159 1082 HA MET 26 HA MET 26 -3.888 -31.310 11.407 1083 1HB MET 26 1HB MET 26 -5.707 -29.640 9.601 1084 2HB MET 26 2HB MET 26 -3.969 -29.645 9.373 1085 1HG MET 26 1HG MET 26 -4.155 -32.245 9.302 1086 2HG MET 26 2HG MET 26 -5.883 -32.005 9.140 1087 1HE MET 26 1HE MET 26 -6.823 -32.267 6.922 1088 2HE MET 26 2HE MET 26 -5.821 -32.368 5.455 1089 3HE MET 26 3HE MET 26 -5.485 -33.437 6.838 1090 H GLU 27 H GLU 27 -6.010 -28.394 11.771 1091 HA GLU 27 HA GLU 27 -4.136 -26.486 11.974 1092 1HB GLU 27 1HB GLU 27 -6.834 -26.887 13.243 1093 2HB GLU 27 2HB GLU 27 -5.863 -25.544 13.812 1094 1HG GLU 27 1HG GLU 27 -5.575 -24.814 11.387 1095 2HG GLU 27 2HG GLU 27 -6.703 -26.073 10.924 1096 H GLU 28 H GLU 28 -5.295 -28.673 14.619 1097 HA GLU 28 HA GLU 28 -3.585 -27.442 16.508 1098 1HB GLU 28 1HB GLU 28 -5.821 -28.635 16.957 1099 2HB GLU 28 2HB GLU 28 -4.957 -30.147 16.763 1100 1HG GLU 28 1HG GLU 28 -3.296 -29.246 18.547 1101 2HG GLU 28 2HG GLU 28 -4.479 -27.993 18.862 1102 H LYS 29 H LYS 29 -3.602 -30.562 14.669 1103 HA LYS 29 HA LYS 29 -1.417 -31.730 15.846 1104 1HB LYS 29 1HB LYS 29 -2.872 -32.939 14.357 1105 2HB LYS 29 2HB LYS 29 -2.464 -31.897 13.009 1106 1HG LYS 29 1HG LYS 29 -1.082 -33.769 12.634 1107 2HG LYS 29 2HG LYS 29 0.009 -32.652 13.429 1108 1HD LYS 29 1HD LYS 29 -0.953 -33.867 15.642 1109 2HD LYS 29 2HD LYS 29 -1.255 -35.166 14.505 1110 1HE LYS 29 1HE LYS 29 1.211 -34.857 13.739 1111 2HE LYS 29 2HE LYS 29 1.418 -33.864 15.168 1112 1HZ LYS 29 1HZ LYS 29 1.016 -36.703 14.974 1113 2HZ LYS 29 2HZ LYS 29 1.869 -35.843 16.069 1114 3HZ LYS 29 3HZ LYS 29 0.248 -35.973 16.217 1115 H PHE 30 H PHE 30 -1.350 -29.931 12.684 1116 HA PHE 30 HA PHE 30 1.480 -29.724 12.828 1117 1HB PHE 30 1HB PHE 30 -0.716 -28.393 11.131 1118 2HB PHE 30 2HB PHE 30 0.993 -28.247 10.768 1119 HD1 PHE 30 1HD PHE 30 2.289 -30.378 10.241 1120 HD2 PHE 30 2HD PHE 30 -1.950 -30.236 10.361 1121 HE1 PHE 30 1HE PHE 30 2.180 -32.486 8.883 1122 HE2 PHE 30 2HE PHE 30 -2.060 -32.344 9.003 1123 HZ PHE 30 HZ PHE 30 0.007 -33.444 8.281 1124 H GLY 31 H GLY 31 -0.942 -28.118 14.516 1125 1HA GLY 31 1HA GLY 31 -1.105 -26.111 15.537 1126 2HA GLY 31 2HA GLY 31 0.615 -26.315 15.800 1127 H VAL 32 H VAL 32 -1.387 -25.647 12.834 1128 HA VAL 32 HA VAL 32 0.518 -23.548 12.156 1129 HB VAL 32 HB VAL 32 0.024 -25.255 10.497 1130 1HG1 VAL 32 1HG1 VAL 32 -2.118 -26.063 10.898 1131 2HG1 VAL 32 2HG1 VAL 32 -2.826 -24.434 11.012 1132 3HG1 VAL 32 3HG1 VAL 32 -2.353 -25.090 9.426 1133 1HG2 VAL 32 1HG2 VAL 32 0.128 -23.788 8.784 1134 2HG2 VAL 32 2HG2 VAL 32 -1.389 -22.981 9.247 1135 3HG2 VAL 32 3HG2 VAL 32 0.131 -22.559 10.072 1136 H SER 33 H SER 33 -1.031 -22.968 14.427 1137 HA SER 33 HA SER 33 -2.496 -20.729 13.365 1138 1HB SER 33 1HB SER 33 -3.749 -22.666 15.363 1139 2HB SER 33 2HB SER 33 -4.463 -21.158 14.826 1140 HG SER 33 HG SER 33 -4.240 -22.134 12.568 1141 H ALA 34 H ALA 34 -0.202 -20.111 14.321 1142 HA ALA 34 HA ALA 34 -0.562 -18.628 16.598 1143 1HB ALA 34 1HB ALA 34 0.252 -21.461 17.113 1144 2HB ALA 34 2HB ALA 34 1.090 -20.190 18.035 1145 3HB ALA 34 3HB ALA 34 -0.681 -20.338 18.130 1146 H ALA 35 H ALA 35 0.518 -17.290 14.992 1147 HA ALA 35 HA ALA 35 3.413 -17.665 15.116 1148 1HB ALA 35 1HB ALA 35 1.821 -18.157 12.810 1149 2HB ALA 35 2HB ALA 35 2.658 -16.610 12.537 1150 3HB ALA 35 3HB ALA 35 3.596 -18.074 12.916 1151 H ALA 36 H ALA 36 2.728 -16.035 16.901 1152 HA ALA 36 HA ALA 36 2.576 -13.955 17.650 1153 1HB ALA 36 1HB ALA 36 4.645 -14.078 15.781 1154 2HB ALA 36 2HB ALA 36 3.746 -12.612 15.320 1155 3HB ALA 36 3HB ALA 36 4.382 -12.784 16.974 1156 H ALA 37 H ALA 37 1.925 -11.510 16.875 1157 HA ALA 37 HA ALA 37 -0.255 -11.741 14.940 1158 1HB ALA 37 1HB ALA 37 -1.833 -10.740 16.457 1159 2HB ALA 37 2HB ALA 37 -1.097 -12.124 17.301 1160 3HB ALA 37 3HB ALA 37 -0.571 -10.467 17.682 1161 H VAL 38 H VAL 38 1.218 -10.586 13.524 1162 HA VAL 38 HA VAL 38 2.653 -8.374 14.044 1163 HB VAL 38 HB VAL 38 0.941 -9.022 11.641 1164 1HG1 VAL 38 1HG1 VAL 38 3.314 -7.151 11.620 1165 2HG1 VAL 38 2HG1 VAL 38 2.065 -7.389 10.375 1166 3HG1 VAL 38 3HG1 VAL 38 1.658 -6.562 11.898 1167 1HG2 VAL 38 1HG2 VAL 38 3.864 -9.521 12.289 1168 2HG2 VAL 38 2HG2 VAL 38 2.578 -10.736 12.090 1169 3HG2 VAL 38 3HG2 VAL 38 3.125 -9.782 10.690 1170 H ALA 39 H ALA 39 -0.815 -8.293 12.938 1171 HA ALA 39 HA ALA 39 -1.608 -6.436 14.850 1172 1HB ALA 39 1HB ALA 39 -0.670 -4.541 14.057 1173 2HB ALA 39 2HB ALA 39 -0.203 -5.319 12.525 1174 3HB ALA 39 3HB ALA 39 -1.844 -4.657 12.724 1175 H VAL 40 H VAL 40 -3.818 -5.411 14.127 1176 HA VAL 40 HA VAL 40 -5.100 -6.900 12.010 1177 HB VAL 40 HB VAL 40 -5.815 -7.228 14.925 1178 1HG1 VAL 40 1HG1 VAL 40 -7.934 -6.973 14.032 1179 2HG1 VAL 40 2HG1 VAL 40 -7.465 -7.633 12.446 1180 3HG1 VAL 40 3HG1 VAL 40 -7.682 -8.724 13.836 1181 1HG2 VAL 40 1HG2 VAL 40 -4.935 -9.128 12.739 1182 2HG2 VAL 40 2HG2 VAL 40 -4.167 -8.816 14.315 1183 3HG2 VAL 40 3HG2 VAL 40 -5.719 -9.684 14.237 1184 H ALA 41 H ALA 41 -5.864 -4.932 14.975 1185 HA ALA 41 HA ALA 41 -7.540 -3.252 13.263 1186 1HB ALA 41 1HB ALA 41 -8.926 -3.636 15.012 1187 2HB ALA 41 2HB ALA 41 -7.597 -4.184 16.061 1188 3HB ALA 41 3HB ALA 41 -7.928 -2.445 15.879 1189 H ALA 42 H ALA 42 -5.199 -2.914 16.032 1190 HA ALA 42 HA ALA 42 -3.641 -1.401 16.452 1191 1HB ALA 42 1HB ALA 42 -3.279 -2.028 13.824 1192 2HB ALA 42 2HB ALA 42 -3.540 -0.272 13.703 1193 3HB ALA 42 3HB ALA 42 -2.232 -0.909 14.728 1194 H GLY 43 H GLY 43 -5.120 -0.220 17.797 1195 1HA GLY 43 1HA GLY 43 -5.369 2.496 17.163 1196 2HA GLY 43 2HA GLY 43 -6.905 1.724 16.825 1197 HA PRO 44 HA PRO 44 -6.116 1.055 21.445 1198 1HB PRO 44 1HB PRO 44 -3.811 1.952 22.607 1199 2HB PRO 44 2HB PRO 44 -4.023 0.306 22.044 1200 1HG PRO 44 1HG PRO 44 -2.471 2.500 20.813 1201 2HG PRO 44 2HG PRO 44 -2.358 0.777 20.518 1202 1HD PRO 44 1HD PRO 44 -3.623 2.726 18.837 1203 2HD PRO 44 2HD PRO 44 -3.610 0.989 18.602 1204 H VAL 45 H VAL 45 -6.577 2.252 23.428 1205 HA VAL 45 HA VAL 45 -6.922 5.078 22.701 1206 HB VAL 45 HB VAL 45 -8.545 3.238 24.464 1207 1HG1 VAL 45 1HG1 VAL 45 -9.177 6.147 23.926 1208 2HG1 VAL 45 2HG1 VAL 45 -9.901 5.051 25.127 1209 3HG1 VAL 45 3HG1 VAL 45 -8.231 5.628 25.342 1210 1HG2 VAL 45 1HG2 VAL 45 -9.327 4.771 21.962 1211 2HG2 VAL 45 2HG2 VAL 45 -8.890 3.046 22.004 1212 3HG2 VAL 45 3HG2 VAL 45 -10.333 3.620 22.875 1213 H GLU 46 H GLU 46 -5.262 6.222 23.582 1214 HA GLU 46 HA GLU 46 -4.923 5.951 26.427 1215 1HB GLU 46 1HB GLU 46 -3.063 4.780 24.594 1216 2HB GLU 46 2HB GLU 46 -2.278 6.194 25.268 1217 1HG GLU 46 1HG GLU 46 -3.695 4.755 27.375 1218 2HG GLU 46 2HG GLU 46 -2.640 3.653 26.512 1219 H ALA 47 H ALA 47 -3.218 7.761 27.164 1220 HA ALA 47 HA ALA 47 -4.260 10.204 26.586 1221 1HB ALA 47 1HB ALA 47 -1.543 10.659 27.161 1222 2HB ALA 47 2HB ALA 47 -2.880 10.544 28.331 1223 3HB ALA 47 3HB ALA 47 -1.921 9.099 27.929 1224 H ALA 48 H ALA 48 -2.962 12.118 25.544 1225 HA ALA 48 HA ALA 48 -1.992 13.056 23.776 1226 1HB ALA 48 1HB ALA 48 -0.383 10.962 24.111 1227 2HB ALA 48 2HB ALA 48 -1.132 10.434 22.586 1228 3HB ALA 48 3HB ALA 48 -0.267 11.987 22.661 1229 H GLU 49 H GLU 49 -4.609 12.958 23.674 1230 HA GLU 49 HA GLU 49 -5.429 11.498 21.332 1231 1HB GLU 49 1HB GLU 49 -6.883 13.131 23.436 1232 2HB GLU 49 2HB GLU 49 -7.695 12.648 21.960 1233 1HG GLU 49 1HG GLU 49 -7.192 10.260 22.435 1234 2HG GLU 49 2HG GLU 49 -6.308 10.715 23.878 1235 H GLU 50 H GLU 50 -6.615 12.619 19.539 1236 HA GLU 50 HA GLU 50 -5.230 15.073 18.944 1237 1HB GLU 50 1HB GLU 50 -6.455 12.875 17.413 1238 2HB GLU 50 2HB GLU 50 -6.872 14.447 16.759 1239 1HG GLU 50 1HG GLU 50 -3.994 13.827 17.496 1240 2HG GLU 50 2HG GLU 50 -4.648 13.263 15.971 1241 H LYS 51 H LYS 51 -6.628 16.787 17.657 1242 HA LYS 51 HA LYS 51 -9.272 16.990 18.902 1243 1HB LYS 51 1HB LYS 51 -7.667 18.327 20.221 1244 2HB LYS 51 2HB LYS 51 -7.212 19.214 18.780 1245 1HG LYS 51 1HG LYS 51 -9.320 20.285 18.605 1246 2HG LYS 51 2HG LYS 51 -10.135 19.063 19.561 1247 1HD LYS 51 1HD LYS 51 -8.970 19.836 21.607 1248 2HD LYS 51 2HD LYS 51 -8.048 20.998 20.673 1249 1HE LYS 51 1HE LYS 51 -9.889 22.202 21.691 1250 2HE LYS 51 2HE LYS 51 -10.233 22.092 19.977 1251 1HZ LYS 51 1HZ LYS 51 -11.875 21.299 21.940 1252 2HZ LYS 51 2HZ LYS 51 -11.996 20.838 20.378 1253 3HZ LYS 51 3HZ LYS 51 -11.232 19.878 21.456 1254 H THR 52 H THR 52 -9.745 16.019 16.698 1255 HA THR 52 HA THR 52 -9.992 18.227 14.771 1256 HB THR 52 HB THR 52 -9.558 16.446 12.994 1257 HG1 THR 52 1HG THR 52 -10.015 14.626 14.425 1258 1HG2 THR 52 1HG2 THR 52 -7.656 17.915 13.815 1259 2HG2 THR 52 2HG2 THR 52 -7.307 16.690 15.058 1260 3HG2 THR 52 3HG2 THR 52 -7.121 16.287 13.335 1261 H GLU 53 H GLU 53 -11.874 17.423 16.813 1262 HA GLU 53 HA GLU 53 -13.932 16.394 15.023 1263 1HB GLU 53 1HB GLU 53 -13.493 15.744 17.966 1264 2HB GLU 53 2HB GLU 53 -14.994 15.396 17.131 1265 1HG GLU 53 1HG GLU 53 -13.772 13.987 15.481 1266 2HG GLU 53 2HG GLU 53 -12.250 14.366 16.264 1267 H PHE 54 H PHE 54 -14.414 18.660 14.527 1268 HA PHE 54 HA PHE 54 -15.541 20.129 16.794 1269 1HB PHE 54 1HB PHE 54 -14.469 20.791 14.003 1270 2HB PHE 54 2HB PHE 54 -15.463 21.958 14.852 1271 HD1 PHE 54 1HD PHE 54 -12.334 19.981 15.175 1272 HD2 PHE 54 2HD PHE 54 -14.508 23.405 16.422 1273 HE1 PHE 54 1HE PHE 54 -10.305 20.828 16.387 1274 HE2 PHE 54 2HE PHE 54 -12.480 24.252 17.633 1275 HZ PHE 54 HZ PHE 54 -10.402 22.954 17.601 1276 H ASP 55 H ASP 55 -17.674 20.967 16.712 1277 HA ASP 55 HA ASP 55 -19.277 19.709 14.632 1278 1HB ASP 55 1HB ASP 55 -20.039 20.710 17.416 1279 2HB ASP 55 2HB ASP 55 -21.186 20.056 16.263 1280 H VAL 56 H VAL 56 -20.467 21.087 13.260 1281 HA VAL 56 HA VAL 56 -20.340 23.947 13.911 1282 HB VAL 56 HB VAL 56 -20.621 22.540 11.248 1283 1HG1 VAL 56 1HG1 VAL 56 -20.287 25.491 11.891 1284 2HG1 VAL 56 2HG1 VAL 56 -20.293 24.771 10.262 1285 3HG1 VAL 56 3HG1 VAL 56 -21.760 24.710 11.268 1286 1HG2 VAL 56 1HG2 VAL 56 -18.268 24.064 11.290 1287 2HG2 VAL 56 2HG2 VAL 56 -18.302 23.224 12.859 1288 3HG2 VAL 56 3HG2 VAL 56 -18.403 22.290 11.346 1289 H ILE 57 H ILE 57 -22.201 24.711 14.762 1290 HA ILE 57 HA ILE 57 -24.686 23.438 13.860 1291 HB ILE 57 HB ILE 57 -23.903 24.809 16.421 1292 1HG1 ILE 57 1HG1 ILE 57 -25.287 22.155 16.153 1293 2HG1 ILE 57 2HG1 ILE 57 -23.564 22.266 15.852 1294 1HG2 ILE 57 1HG2 ILE 57 -26.284 24.505 17.125 1295 2HG2 ILE 57 2HG2 ILE 57 -26.032 25.759 15.888 1296 3HG2 ILE 57 3HG2 ILE 57 -26.690 24.171 15.424 1297 1HD1 ILE 57 1HD1 ILE 57 -23.204 23.270 18.088 1298 2HD1 ILE 57 2HD1 ILE 57 -24.957 23.230 18.394 1299 3HD1 ILE 57 3HD1 ILE 57 -24.048 21.709 18.230 1300 H LEU 58 H LEU 58 -26.460 24.755 13.203 1301 HA LEU 58 HA LEU 58 -25.614 27.456 12.435 1302 1HB LEU 58 1HB LEU 58 -26.091 26.235 10.506 1303 2HB LEU 58 2HB LEU 58 -27.487 25.452 11.219 1304 HG LEU 58 HG LEU 58 -27.521 28.428 10.825 1305 1HD1 LEU 58 1HD1 LEU 58 -26.746 27.621 8.682 1306 2HD1 LEU 58 2HD1 LEU 58 -28.023 26.381 8.647 1307 3HD1 LEU 58 3HD1 LEU 58 -28.454 28.106 8.557 1308 1HD2 LEU 58 1HD2 LEU 58 -29.450 26.270 11.382 1309 2HD2 LEU 58 2HD2 LEU 58 -29.492 27.999 11.807 1310 3HD2 LEU 58 3HD2 LEU 58 -29.987 27.469 10.181 1311 H LYS 59 H LYS 59 -26.437 29.121 13.574 1312 HA LYS 59 HA LYS 59 -28.657 28.521 15.358 1313 1HB LYS 59 1HB LYS 59 -26.682 30.817 15.245 1314 2HB LYS 59 2HB LYS 59 -28.006 30.719 16.388 1315 1HG LYS 59 1HG LYS 59 -27.047 28.351 16.984 1316 2HG LYS 59 2HG LYS 59 -25.601 28.876 16.145 1317 1HD LYS 59 1HD LYS 59 -26.895 30.418 18.443 1318 2HD LYS 59 2HD LYS 59 -25.558 29.304 18.643 1319 1HE LYS 59 1HE LYS 59 -24.422 30.795 16.741 1320 2HE LYS 59 2HE LYS 59 -25.591 31.994 17.258 1321 1HZ LYS 59 1HZ LYS 59 -23.513 30.716 18.876 1322 2HZ LYS 59 2HZ LYS 59 -23.718 32.307 18.571 1323 3HZ LYS 59 3HZ LYS 59 -24.756 31.525 19.560 1324 H ALA 60 H ALA 60 -27.648 31.174 13.081 1325 HA ALA 60 HA ALA 60 -30.472 31.418 12.348 1326 1HB ALA 60 1HB ALA 60 -28.684 33.809 12.901 1327 2HB ALA 60 2HB ALA 60 -30.445 33.786 12.643 1328 3HB ALA 60 3HB ALA 60 -29.755 33.106 14.136 1329 H ALA 61 H ALA 61 -30.744 31.463 10.162 1330 HA ALA 61 HA ALA 61 -28.485 31.229 8.481 1331 1HB ALA 61 1HB ALA 61 -30.150 31.131 6.701 1332 2HB ALA 61 2HB ALA 61 -30.721 30.180 8.093 1333 3HB ALA 61 3HB ALA 61 -31.394 31.799 7.785 1334 H GLY 62 H GLY 62 -30.360 33.920 9.757 1335 1HA GLY 62 1HA GLY 62 -29.879 36.136 9.656 1336 2HA GLY 62 2HA GLY 62 -28.544 35.806 8.570 1337 H ALA 63 H ALA 63 -29.207 37.652 7.253 1338 HA ALA 63 HA ALA 63 -31.790 37.395 5.939 1339 1HB ALA 63 1HB ALA 63 -29.653 39.565 5.889 1340 2HB ALA 63 2HB ALA 63 -31.237 39.662 5.082 1341 3HB ALA 63 3HB ALA 63 -31.147 39.577 6.858 1342 H ASN 64 H ASN 64 -29.948 35.294 5.379 1343 HA ASN 64 HA ASN 64 -29.733 35.718 2.556 1344 1HB ASN 64 1HB ASN 64 -27.471 36.352 3.835 1345 2HB ASN 64 2HB ASN 64 -27.270 34.615 3.950 1346 1HD2 ASN 64 1HD2 ASN 64 -25.748 36.634 2.480 1347 2HD2 ASN 64 2HD2 ASN 64 -25.735 36.157 0.815 1348 H LYS 65 H LYS 65 -31.590 34.100 3.589 1349 HA LYS 65 HA LYS 65 -30.769 31.582 4.484 1350 1HB LYS 65 1HB LYS 65 -33.130 32.915 4.347 1351 2HB LYS 65 2HB LYS 65 -33.336 31.800 3.011 1352 1HG LYS 65 1HG LYS 65 -32.614 29.917 4.594 1353 2HG LYS 65 2HG LYS 65 -32.676 31.081 5.903 1354 1HD LYS 65 1HD LYS 65 -35.041 30.498 4.060 1355 2HD LYS 65 2HD LYS 65 -34.793 29.689 5.595 1356 1HE LYS 65 1HE LYS 65 -35.960 31.407 6.532 1357 2HE LYS 65 2HE LYS 65 -34.518 32.375 6.297 1358 1HZ LYS 65 1HZ LYS 65 -36.238 33.508 5.252 1359 2HZ LYS 65 2HZ LYS 65 -35.424 32.815 4.017 1360 3HZ LYS 65 3HZ LYS 65 -36.839 32.175 4.524 1361 H VAL 66 H VAL 66 -30.884 33.072 1.299 1362 HA VAL 66 HA VAL 66 -31.128 30.719 -0.212 1363 HB VAL 66 HB VAL 66 -30.005 33.463 -0.772 1364 1HG1 VAL 66 1HG1 VAL 66 -28.883 32.337 -2.428 1365 2HG1 VAL 66 2HG1 VAL 66 -30.078 31.020 -2.500 1366 3HG1 VAL 66 3HG1 VAL 66 -30.444 32.596 -3.244 1367 1HG2 VAL 66 1HG2 VAL 66 -32.083 33.809 -1.984 1368 2HG2 VAL 66 2HG2 VAL 66 -32.583 32.130 -1.666 1369 3HG2 VAL 66 3HG2 VAL 66 -32.439 33.286 -0.320 1370 H ALA 67 H ALA 67 -28.192 32.746 0.514 1371 HA ALA 67 HA ALA 67 -26.375 30.970 -0.581 1372 1HB ALA 67 1HB ALA 67 -25.911 33.326 0.002 1373 2HB ALA 67 2HB ALA 67 -26.032 32.923 1.731 1374 3HB ALA 67 3HB ALA 67 -24.721 32.232 0.746 1375 H VAL 68 H VAL 68 -27.823 31.157 2.709 1376 HA VAL 68 HA VAL 68 -26.154 29.329 3.951 1377 HB VAL 68 HB VAL 68 -29.032 30.127 4.366 1378 1HG1 VAL 68 1HG1 VAL 68 -28.842 27.892 5.270 1379 2HG1 VAL 68 2HG1 VAL 68 -27.322 28.310 6.096 1380 3HG1 VAL 68 3HG1 VAL 68 -28.852 29.059 6.615 1381 1HG2 VAL 68 1HG2 VAL 68 -28.238 31.798 5.640 1382 2HG2 VAL 68 2HG2 VAL 68 -27.027 30.753 6.420 1383 3HG2 VAL 68 3HG2 VAL 68 -26.680 31.488 4.837 1384 H ILE 69 H ILE 69 -29.388 28.771 2.380 1385 HA ILE 69 HA ILE 69 -29.526 26.079 2.786 1386 HB ILE 69 HB ILE 69 -30.558 27.905 0.647 1387 1HG1 ILE 69 1HG1 ILE 69 -32.108 26.239 2.629 1388 2HG1 ILE 69 2HG1 ILE 69 -31.414 27.783 3.081 1389 1HG2 ILE 69 1HG2 ILE 69 -31.975 25.988 -0.146 1390 2HG2 ILE 69 2HG2 ILE 69 -30.252 25.886 -0.581 1391 3HG2 ILE 69 3HG2 ILE 69 -30.892 24.899 0.754 1392 1HD1 ILE 69 1HD1 ILE 69 -33.659 28.248 2.361 1393 2HD1 ILE 69 2HD1 ILE 69 -32.602 28.790 1.035 1394 3HD1 ILE 69 3HD1 ILE 69 -33.473 27.243 0.903 1395 H LYS 70 H LYS 70 -27.659 27.899 0.327 1396 HA LYS 70 HA LYS 70 -26.961 25.652 -1.209 1397 1HB LYS 70 1HB LYS 70 -25.829 28.434 -0.904 1398 2HB LYS 70 2HB LYS 70 -25.066 27.247 -1.943 1399 1HG LYS 70 1HG LYS 70 -27.347 26.908 -3.067 1400 2HG LYS 70 2HG LYS 70 -27.932 28.277 -2.144 1401 1HD LYS 70 1HD LYS 70 -25.516 29.201 -3.271 1402 2HD LYS 70 2HD LYS 70 -26.235 28.240 -4.547 1403 1HE LYS 70 1HE LYS 70 -28.406 29.516 -4.213 1404 2HE LYS 70 2HE LYS 70 -27.584 30.536 -3.049 1405 1HZ LYS 70 1HZ LYS 70 -26.708 30.192 -5.833 1406 2HZ LYS 70 2HZ LYS 70 -27.608 31.445 -5.297 1407 3HZ LYS 70 3HZ LYS 70 -26.086 31.237 -4.743 1408 H ALA 71 H ALA 71 -25.248 27.425 1.453 1409 HA ALA 71 HA ALA 71 -22.978 25.848 1.478 1410 1HB ALA 71 1HB ALA 71 -24.372 27.196 3.826 1411 2HB ALA 71 2HB ALA 71 -22.650 26.758 3.721 1412 3HB ALA 71 3HB ALA 71 -23.313 28.023 2.659 1413 H VAL 72 H VAL 72 -26.195 25.392 3.030 1414 HA VAL 72 HA VAL 72 -25.478 23.252 4.657 1415 HB VAL 72 HB VAL 72 -28.098 24.009 3.353 1416 1HG1 VAL 72 1HG1 VAL 72 -29.154 22.645 5.151 1417 2HG1 VAL 72 2HG1 VAL 72 -28.215 21.676 3.990 1418 3HG1 VAL 72 3HG1 VAL 72 -27.541 22.041 5.597 1419 1HG2 VAL 72 1HG2 VAL 72 -28.394 25.514 4.995 1420 2HG2 VAL 72 2HG2 VAL 72 -27.756 24.417 6.243 1421 3HG2 VAL 72 3HG2 VAL 72 -26.637 25.379 5.247 1422 H ARG 73 H ARG 73 -27.559 22.924 1.707 1423 HA ARG 73 HA ARG 73 -27.232 20.268 1.466 1424 1HB ARG 73 1HB ARG 73 -27.883 20.576 -0.941 1425 2HB ARG 73 2HB ARG 73 -28.866 21.545 0.139 1426 1HG ARG 73 1HG ARG 73 -28.324 23.291 -1.227 1427 2HG ARG 73 2HG ARG 73 -26.786 23.291 -0.386 1428 1HD ARG 73 1HD ARG 73 -25.691 22.068 -2.115 1429 2HD ARG 73 2HD ARG 73 -27.197 21.462 -2.775 1430 HE ARG 73 HE ARG 73 -25.975 24.067 -3.320 1431 1HH1 ARG 73 2HH2 ARG 73 -28.987 22.248 -3.322 1432 2HH1 ARG 73 1HH2 ARG 73 -29.745 23.259 -4.507 1433 1HH2 ARG 73 2HH1 ARG 73 -26.973 25.399 -4.886 1434 2HH2 ARG 73 1HH1 ARG 73 -28.594 25.067 -5.398 1435 H GLY 74 H GLY 74 -24.974 22.855 0.621 1436 1HA GLY 74 1HA GLY 74 -23.406 21.398 -1.257 1437 2HA GLY 74 2HA GLY 74 -22.981 22.887 -0.437 1438 H ALA 75 H ALA 75 -23.405 21.815 2.310 1439 HA ALA 75 HA ALA 75 -20.799 20.584 2.525 1440 1HB ALA 75 1HB ALA 75 -22.803 21.600 4.581 1441 2HB ALA 75 2HB ALA 75 -21.171 20.995 4.958 1442 3HB ALA 75 3HB ALA 75 -21.370 22.465 3.975 1443 H THR 76 H THR 76 -24.175 19.684 2.469 1444 HA THR 76 HA THR 76 -23.463 17.047 3.577 1445 HB THR 76 HB THR 76 -25.841 16.963 4.329 1446 HG1 THR 76 1HG THR 76 -25.937 19.759 3.547 1447 1HG2 THR 76 1HG2 THR 76 -24.286 18.064 5.929 1448 2HG2 THR 76 2HG2 THR 76 -24.468 19.604 5.056 1449 3HG2 THR 76 3HG2 THR 76 -25.854 18.905 5.926 1450 H GLY 77 H GLY 77 -26.199 18.349 1.598 1451 1HA GLY 77 1HA GLY 77 -26.137 17.809 -0.807 1452 2HA GLY 77 2HA GLY 77 -25.590 16.207 -0.353 1453 H LEU 78 H LEU 78 -27.858 17.696 1.856 1454 HA LEU 78 HA LEU 78 -29.777 15.673 1.341 1455 1HB LEU 78 1HB LEU 78 -29.802 18.139 3.081 1456 2HB LEU 78 2HB LEU 78 -31.111 16.976 3.024 1457 HG LEU 78 HG LEU 78 -28.297 16.120 3.691 1458 1HD1 LEU 78 1HD1 LEU 78 -28.797 16.390 6.062 1459 2HD1 LEU 78 2HD1 LEU 78 -28.863 17.954 5.215 1460 3HD1 LEU 78 3HD1 LEU 78 -30.370 17.120 5.663 1461 1HD2 LEU 78 1HD2 LEU 78 -31.030 14.953 4.281 1462 2HD2 LEU 78 2HD2 LEU 78 -29.812 14.326 3.144 1463 3HD2 LEU 78 3HD2 LEU 78 -29.488 14.308 4.894 1464 H GLY 79 H GLY 79 -32.019 16.001 0.655 1465 1HA GLY 79 1HA GLY 79 -32.274 17.309 -1.762 1466 2HA GLY 79 2HA GLY 79 -33.597 16.802 -0.731 1467 H LEU 80 H LEU 80 -33.171 19.293 -2.439 1468 HA LEU 80 HA LEU 80 -32.601 21.548 -1.099 1469 1HB LEU 80 1HB LEU 80 -33.534 21.090 -3.483 1470 2HB LEU 80 2HB LEU 80 -35.099 21.384 -2.752 1471 HG LEU 80 HG LEU 80 -34.237 23.623 -1.978 1472 1HD1 LEU 80 1HD1 LEU 80 -31.981 23.736 -1.967 1473 2HD1 LEU 80 2HD1 LEU 80 -31.803 22.607 -3.332 1474 3HD1 LEU 80 3HD1 LEU 80 -32.227 24.309 -3.634 1475 1HD2 LEU 80 1HD2 LEU 80 -34.516 24.699 -4.149 1476 2HD2 LEU 80 2HD2 LEU 80 -34.256 23.141 -4.970 1477 3HD2 LEU 80 3HD2 LEU 80 -35.687 23.375 -3.937 1478 H LYS 81 H LYS 81 -35.703 19.692 -0.896 1479 HA LYS 81 HA LYS 81 -36.986 21.459 0.821 1480 1HB LYS 81 1HB LYS 81 -38.074 19.652 -0.476 1481 2HB LYS 81 2HB LYS 81 -37.331 18.456 0.567 1482 1HG LYS 81 1HG LYS 81 -38.461 19.558 2.553 1483 2HG LYS 81 2HG LYS 81 -39.281 20.638 1.443 1484 1HD LYS 81 1HD LYS 81 -40.889 18.957 1.674 1485 2HD LYS 81 2HD LYS 81 -40.046 18.402 0.241 1486 1HE LYS 81 1HE LYS 81 -38.664 16.863 1.605 1487 2HE LYS 81 2HE LYS 81 -39.390 17.473 3.078 1488 1HZ LYS 81 1HZ LYS 81 -40.802 16.067 0.919 1489 2HZ LYS 81 2HZ LYS 81 -40.463 15.474 2.402 1490 3HZ LYS 81 3HZ LYS 81 -41.529 16.700 2.236 1491 H GLU 82 H GLU 82 -35.359 18.318 1.676 1492 HA GLU 82 HA GLU 82 -35.549 18.450 4.318 1493 1HB GLU 82 1HB GLU 82 -33.276 17.501 2.552 1494 2HB GLU 82 2HB GLU 82 -33.159 17.352 4.294 1495 1HG GLU 82 1HG GLU 82 -35.689 16.388 2.959 1496 2HG GLU 82 2HG GLU 82 -34.245 15.410 2.786 1497 H ALA 83 H ALA 83 -33.049 20.140 2.318 1498 HA ALA 83 HA ALA 83 -31.604 21.173 4.472 1499 1HB ALA 83 1HB ALA 83 -30.809 21.011 2.122 1500 2HB ALA 83 2HB ALA 83 -31.967 22.282 1.659 1501 3HB ALA 83 3HB ALA 83 -30.634 22.657 2.777 1502 H LYS 84 H LYS 84 -34.373 22.479 2.548 1503 HA LYS 84 HA LYS 84 -34.425 24.996 3.695 1504 1HB LYS 84 1HB LYS 84 -35.653 24.460 1.684 1505 2HB LYS 84 2HB LYS 84 -36.641 23.288 2.531 1506 1HG LYS 84 1HG LYS 84 -37.697 25.018 3.877 1507 2HG LYS 84 2HG LYS 84 -36.548 26.227 3.339 1508 1HD LYS 84 1HD LYS 84 -37.448 26.236 1.096 1509 2HD LYS 84 2HD LYS 84 -38.361 24.766 1.375 1510 1HE LYS 84 1HE LYS 84 -39.938 26.591 1.505 1511 2HE LYS 84 2HE LYS 84 -39.704 26.017 3.144 1512 1HZ LYS 84 1HZ LYS 84 -38.185 28.259 2.014 1513 2HZ LYS 84 2HZ LYS 84 -39.574 28.452 2.851 1514 3HZ LYS 84 3HZ LYS 84 -38.263 27.807 3.581 1515 H ASP 85 H ASP 85 -36.259 22.006 4.642 1516 HA ASP 85 HA ASP 85 -37.582 23.107 6.744 1517 1HB ASP 85 1HB ASP 85 -36.417 20.291 6.512 1518 2HB ASP 85 2HB ASP 85 -37.662 20.757 7.654 1519 H LEU 86 H LEU 86 -34.336 21.479 6.610 1520 HA LEU 86 HA LEU 86 -33.729 21.399 9.264 1521 1HB LEU 86 1HB LEU 86 -32.416 20.398 7.465 1522 2HB LEU 86 2HB LEU 86 -31.897 21.985 6.934 1523 HG LEU 86 HG LEU 86 -31.327 21.244 9.767 1524 1HD1 LEU 86 1HD1 LEU 86 -29.139 20.182 8.861 1525 2HD1 LEU 86 2HD1 LEU 86 -30.622 19.200 8.932 1526 3HD1 LEU 86 3HD1 LEU 86 -30.089 19.896 7.383 1527 1HD2 LEU 86 1HD2 LEU 86 -29.199 22.452 9.225 1528 2HD2 LEU 86 2HD2 LEU 86 -29.867 22.786 7.610 1529 3HD2 LEU 86 3HD2 LEU 86 -30.677 23.430 9.058 1530 H VAL 87 H VAL 87 -32.932 24.116 6.979 1531 HA VAL 87 HA VAL 87 -31.864 25.753 8.958 1532 HB VAL 87 HB VAL 87 -33.099 26.311 6.260 1533 1HG1 VAL 87 1HG1 VAL 87 -31.782 28.196 8.220 1534 2HG1 VAL 87 2HG1 VAL 87 -31.764 28.504 6.467 1535 3HG1 VAL 87 3HG1 VAL 87 -33.314 28.390 7.335 1536 1HG2 VAL 87 1HG2 VAL 87 -31.076 24.951 6.198 1537 2HG2 VAL 87 2HG2 VAL 87 -30.741 26.580 5.563 1538 3HG2 VAL 87 3HG2 VAL 87 -30.217 26.140 7.206 1539 H GLU 88 H GLU 88 -35.216 25.274 7.769 1540 HA GLU 88 HA GLU 88 -36.209 27.547 9.082 1541 1HB GLU 88 1HB GLU 88 -37.479 25.091 7.834 1542 2HB GLU 88 2HB GLU 88 -38.462 26.270 8.678 1543 1HG GLU 88 1HG GLU 88 -37.512 28.078 7.193 1544 2HG GLU 88 2HG GLU 88 -36.613 26.856 6.317 1545 H SER 89 H SER 89 -35.144 24.482 10.205 1546 HA SER 89 HA SER 89 -36.922 24.627 12.501 1547 1HB SER 89 1HB SER 89 -36.371 22.300 12.912 1548 2HB SER 89 2HB SER 89 -36.793 22.468 11.220 1549 HG SER 89 HG SER 89 -34.406 21.655 12.362 1550 H ALA 90 H ALA 90 -34.460 26.345 11.884 1551 HA ALA 90 HA ALA 90 -32.272 25.589 13.369 1552 1HB ALA 90 1HB ALA 90 -31.916 28.099 13.557 1553 2HB ALA 90 2HB ALA 90 -32.193 27.493 11.907 1554 3HB ALA 90 3HB ALA 90 -33.508 28.305 12.790 1555 HA PRO 91 HA PRO 91 -30.912 26.439 14.611 1556 1HB PRO 91 1HB PRO 91 -29.526 25.338 16.694 1557 2HB PRO 91 2HB PRO 91 -29.769 27.064 16.510 1558 1HG PRO 91 1HG PRO 91 -31.093 25.195 18.379 1559 2HG PRO 91 2HG PRO 91 -30.998 26.943 18.457 1560 1HD PRO 91 1HD PRO 91 -33.261 25.382 17.640 1561 2HD PRO 91 2HD PRO 91 -33.127 27.129 17.609 1562 H ALA 92 H ALA 92 -29.433 24.880 13.725 1563 HA ALA 92 HA ALA 92 -30.329 22.139 14.109 1564 1HB ALA 92 1HB ALA 92 -30.200 22.051 11.454 1565 2HB ALA 92 2HB ALA 92 -31.702 22.523 12.283 1566 3HB ALA 92 3HB ALA 92 -30.631 23.771 11.603 1567 H ALA 93 H ALA 93 -28.621 20.714 14.051 1568 HA ALA 93 HA ALA 93 -26.004 21.806 13.895 1569 1HB ALA 93 1HB ALA 93 -25.314 19.508 14.368 1570 2HB ALA 93 2HB ALA 93 -26.695 19.945 15.402 1571 3HB ALA 93 3HB ALA 93 -26.945 18.911 13.975 1572 H LEU 94 H LEU 94 -24.678 22.014 12.151 1573 HA LEU 94 HA LEU 94 -25.714 21.135 9.604 1574 1HB LEU 94 1HB LEU 94 -23.731 23.079 10.595 1575 2HB LEU 94 2HB LEU 94 -23.313 22.300 9.082 1576 HG LEU 94 HG LEU 94 -25.962 23.687 9.552 1577 1HD1 LEU 94 1HD1 LEU 94 -25.073 25.620 8.386 1578 2HD1 LEU 94 2HD1 LEU 94 -24.105 25.280 9.840 1579 3HD1 LEU 94 3HD1 LEU 94 -23.485 24.832 8.233 1580 1HD2 LEU 94 1HD2 LEU 94 -26.267 22.266 7.744 1581 2HD2 LEU 94 2HD2 LEU 94 -25.791 23.796 6.968 1582 3HD2 LEU 94 3HD2 LEU 94 -24.601 22.485 7.155 1583 H LYS 95 H LYS 95 -22.738 20.652 11.622 1584 HA LYS 95 HA LYS 95 -22.544 17.986 10.484 1585 1HB LYS 95 1HB LYS 95 -20.070 19.701 10.525 1586 2HB LYS 95 2HB LYS 95 -20.356 18.193 9.681 1587 1HG LYS 95 1HG LYS 95 -22.098 19.386 8.263 1588 2HG LYS 95 2HG LYS 95 -21.643 20.888 9.042 1589 1HD LYS 95 1HD LYS 95 -20.274 20.966 7.152 1590 2HD LYS 95 2HD LYS 95 -19.183 20.213 8.299 1591 1HE LYS 95 1HE LYS 95 -19.922 17.944 7.444 1592 2HE LYS 95 2HE LYS 95 -20.902 18.752 6.237 1593 1HZ LYS 95 1HZ LYS 95 -18.826 18.232 5.287 1594 2HZ LYS 95 2HZ LYS 95 -18.841 19.852 5.490 1595 3HZ LYS 95 3HZ LYS 95 -17.985 18.909 6.512 1596 H GLU 96 H GLU 96 -21.108 16.573 11.787 1597 HA GLU 96 HA GLU 96 -20.551 17.686 14.406 1598 1HB GLU 96 1HB GLU 96 -22.133 15.124 13.913 1599 2HB GLU 96 2HB GLU 96 -21.535 15.634 15.480 1600 1HG GLU 96 1HG GLU 96 -22.845 17.801 15.199 1601 2HG GLU 96 2HG GLU 96 -23.536 17.138 13.731 1602 H GLY 97 H GLY 97 -18.499 17.161 15.042 1603 1HA GLY 97 1HA GLY 97 -16.563 16.033 15.246 1604 2HA GLY 97 2HA GLY 97 -17.400 14.578 14.743 1605 H VAL 98 H VAL 98 -16.688 17.741 13.087 1606 HA VAL 98 HA VAL 98 -15.491 16.154 10.922 1607 HB VAL 98 HB VAL 98 -16.065 18.125 9.503 1608 1HG1 VAL 98 1HG1 VAL 98 -18.333 17.469 9.146 1609 2HG1 VAL 98 2HG1 VAL 98 -17.457 16.021 9.700 1610 3HG1 VAL 98 3HG1 VAL 98 -18.507 16.912 10.828 1611 1HG2 VAL 98 1HG2 VAL 98 -17.896 18.990 11.750 1612 2HG2 VAL 98 2HG2 VAL 98 -16.274 19.688 11.523 1613 3HG2 VAL 98 3HG2 VAL 98 -17.500 19.849 10.242 1614 H SER 99 H SER 99 -13.665 17.266 9.759 1615 HA SER 99 HA SER 99 -11.715 17.942 11.571 1616 1HB SER 99 1HB SER 99 -10.374 18.581 9.571 1617 2HB SER 99 2HB SER 99 -11.199 17.050 9.353 1618 HG SER 99 HG SER 99 -12.655 17.973 7.940 1619 H LYS 100 H LYS 100 -10.701 19.963 12.132 1620 HA LYS 100 HA LYS 100 -12.439 22.077 12.523 1621 1HB LYS 100 1HB LYS 100 -10.392 21.605 13.838 1622 2HB LYS 100 2HB LYS 100 -9.407 22.111 12.481 1623 1HG LYS 100 1HG LYS 100 -11.524 24.058 13.275 1624 2HG LYS 100 2HG LYS 100 -10.284 23.794 14.484 1625 1HD LYS 100 1HD LYS 100 -8.528 24.225 12.700 1626 2HD LYS 100 2HD LYS 100 -9.817 24.619 11.580 1627 1HE LYS 100 1HE LYS 100 -10.598 26.423 13.179 1628 2HE LYS 100 2HE LYS 100 -9.225 26.065 14.207 1629 1HZ LYS 100 1HZ LYS 100 -8.524 27.775 12.853 1630 2HZ LYS 100 2HZ LYS 100 -7.867 26.467 12.129 1631 3HZ LYS 100 3HZ LYS 100 -9.204 27.163 11.500 1632 H ASP 101 H ASP 101 -9.977 21.504 9.944 1633 HA ASP 101 HA ASP 101 -10.021 23.960 8.810 1634 1HB ASP 101 1HB ASP 101 -9.862 21.224 7.461 1635 2HB ASP 101 2HB ASP 101 -9.469 22.726 6.649 1636 H ASP 102 H ASP 102 -12.209 21.117 8.293 1637 HA ASP 102 HA ASP 102 -13.601 22.240 6.164 1638 1HB ASP 102 1HB ASP 102 -14.206 20.050 8.182 1639 2HB ASP 102 2HB ASP 102 -15.411 20.513 6.997 1640 H ALA 103 H ALA 103 -14.110 22.114 9.746 1641 HA ALA 103 HA ALA 103 -16.684 23.145 9.815 1642 1HB ALA 103 1HB ALA 103 -14.373 23.312 11.789 1643 2HB ALA 103 2HB ALA 103 -16.054 23.750 12.174 1644 3HB ALA 103 3HB ALA 103 -15.651 22.075 11.731 1645 H GLU 104 H GLU 104 -13.462 24.800 9.905 1646 HA GLU 104 HA GLU 104 -14.634 27.328 10.259 1647 1HB GLU 104 1HB GLU 104 -12.230 26.519 10.832 1648 2HB GLU 104 2HB GLU 104 -11.853 26.817 9.147 1649 1HG GLU 104 1HG GLU 104 -12.826 29.190 9.492 1650 2HG GLU 104 2HG GLU 104 -12.826 28.840 11.209 1651 H ALA 105 H ALA 105 -13.986 25.270 7.487 1652 HA ALA 105 HA ALA 105 -13.716 27.288 5.544 1653 1HB ALA 105 1HB ALA 105 -14.175 25.409 3.973 1654 2HB ALA 105 2HB ALA 105 -12.960 24.985 5.202 1655 3HB ALA 105 3HB ALA 105 -14.629 24.388 5.359 1656 H LEU 106 H LEU 106 -16.534 25.288 6.655 1657 HA LEU 106 HA LEU 106 -18.360 26.646 4.974 1658 1HB LEU 106 1HB LEU 106 -18.520 24.315 5.991 1659 2HB LEU 106 2HB LEU 106 -19.003 25.102 7.479 1660 HG LEU 106 HG LEU 106 -20.911 26.161 6.228 1661 1HD1 LEU 106 1HD1 LEU 106 -20.312 26.160 3.981 1662 2HD1 LEU 106 2HD1 LEU 106 -19.801 24.455 4.010 1663 3HD1 LEU 106 3HD1 LEU 106 -21.531 24.867 4.079 1664 1HD2 LEU 106 1HD2 LEU 106 -21.300 24.246 7.640 1665 2HD2 LEU 106 2HD2 LEU 106 -22.276 24.093 6.160 1666 3HD2 LEU 106 3HD2 LEU 106 -20.787 23.136 6.346 1667 H LYS 107 H LYS 107 -17.246 27.034 8.369 1668 HA LYS 107 HA LYS 107 -19.151 28.809 9.240 1669 1HB LYS 107 1HB LYS 107 -17.279 27.660 10.532 1670 2HB LYS 107 2HB LYS 107 -16.216 28.934 9.967 1671 1HG LYS 107 1HG LYS 107 -18.361 30.417 10.878 1672 2HG LYS 107 2HG LYS 107 -18.415 29.053 11.977 1673 1HD LYS 107 1HD LYS 107 -16.929 30.458 13.110 1674 2HD LYS 107 2HD LYS 107 -15.806 29.465 12.203 1675 1HE LYS 107 1HE LYS 107 -16.381 31.488 10.378 1676 2HE LYS 107 2HE LYS 107 -16.439 32.351 11.902 1677 1HZ LYS 107 1HZ LYS 107 -14.213 30.640 11.031 1678 2HZ LYS 107 2HZ LYS 107 -14.223 32.272 10.980 1679 3HZ LYS 107 3HZ LYS 107 -14.266 31.500 12.418 1680 H LYS 108 H LYS 108 -16.005 29.527 7.576 1681 HA LYS 108 HA LYS 108 -16.363 32.289 7.570 1682 1HB LYS 108 1HB LYS 108 -14.525 32.342 6.040 1683 2HB LYS 108 2HB LYS 108 -14.220 31.073 7.208 1684 1HG LYS 108 1HG LYS 108 -14.602 29.349 5.656 1685 2HG LYS 108 2HG LYS 108 -15.653 30.333 4.656 1686 1HD LYS 108 1HD LYS 108 -13.668 31.702 3.943 1687 2HD LYS 108 2HD LYS 108 -12.628 30.682 4.916 1688 1HE LYS 108 1HE LYS 108 -12.432 29.721 2.765 1689 2HE LYS 108 2HE LYS 108 -13.613 28.686 3.541 1690 1HZ LYS 108 1HZ LYS 108 -14.193 30.910 1.713 1691 2HZ LYS 108 2HZ LYS 108 -14.400 29.318 1.413 1692 3HZ LYS 108 3HZ LYS 108 -15.339 30.069 2.518 1693 H ALA 109 H ALA 109 -17.599 29.699 5.463 1694 HA ALA 109 HA ALA 109 -18.355 31.352 3.322 1695 1HB ALA 109 1HB ALA 109 -19.466 29.426 2.519 1696 2HB ALA 109 2HB ALA 109 -18.115 28.778 3.480 1697 3HB ALA 109 3HB ALA 109 -19.759 28.802 4.160 1698 H LEU 110 H LEU 110 -20.023 30.259 6.333 1699 HA LEU 110 HA LEU 110 -22.501 31.394 5.706 1700 1HB LEU 110 1HB LEU 110 -21.129 30.453 8.187 1701 2HB LEU 110 2HB LEU 110 -22.606 31.383 8.340 1702 HG LEU 110 HG LEU 110 -22.666 28.767 8.268 1703 1HD1 LEU 110 1HD1 LEU 110 -24.646 30.129 8.467 1704 2HD1 LEU 110 2HD1 LEU 110 -24.603 30.518 6.731 1705 3HD1 LEU 110 3HD1 LEU 110 -24.931 28.851 7.262 1706 1HD2 LEU 110 1HD2 LEU 110 -23.001 27.814 6.059 1707 2HD2 LEU 110 2HD2 LEU 110 -22.686 29.395 5.303 1708 3HD2 LEU 110 3HD2 LEU 110 -21.385 28.551 6.178 1709 H GLU 111 H GLU 111 -19.571 32.680 7.367 1710 HA GLU 111 HA GLU 111 -20.744 35.050 8.177 1711 1HB GLU 111 1HB GLU 111 -17.859 34.296 7.568 1712 2HB GLU 111 2HB GLU 111 -18.296 35.867 8.209 1713 1HG GLU 111 1HG GLU 111 -19.513 34.632 10.109 1714 2HG GLU 111 2HG GLU 111 -18.781 33.154 9.517 1715 H GLU 112 H GLU 112 -18.993 34.137 5.154 1716 HA GLU 112 HA GLU 112 -18.842 36.634 4.047 1717 1HB GLU 112 1HB GLU 112 -19.070 33.854 2.858 1718 2HB GLU 112 2HB GLU 112 -18.976 35.259 1.815 1719 1HG GLU 112 1HG GLU 112 -16.957 34.911 4.052 1720 2HG GLU 112 2HG GLU 112 -16.756 34.021 2.556 1721 H ALA 113 H ALA 113 -21.580 34.353 4.270 1722 HA ALA 113 HA ALA 113 -23.183 35.894 2.437 1723 1HB ALA 113 1HB ALA 113 -23.610 33.588 2.340 1724 2HB ALA 113 2HB ALA 113 -23.538 33.401 4.109 1725 3HB ALA 113 3HB ALA 113 -24.942 34.193 3.354 1726 H GLY 114 H GLY 114 -22.597 35.591 5.932 1727 1HA GLY 114 1HA GLY 114 -23.057 37.364 7.394 1728 2HA GLY 114 2HA GLY 114 -24.361 37.901 6.354 1729 H ALA 115 H ALA 115 -23.430 34.814 8.054 1730 HA ALA 115 HA ALA 115 -26.154 34.770 9.148 1731 1HB ALA 115 1HB ALA 115 -25.979 33.210 7.232 1732 2HB ALA 115 2HB ALA 115 -24.590 32.416 8.012 1733 3HB ALA 115 3HB ALA 115 -26.199 32.338 8.768 1734 H GLU 116 H GLU 116 -26.301 33.395 11.156 1735 HA GLU 116 HA GLU 116 -23.861 33.805 12.661 1736 1HB GLU 116 1HB GLU 116 -26.111 34.727 13.437 1737 2HB GLU 116 2HB GLU 116 -26.629 33.074 13.708 1738 1HG GLU 116 1HG GLU 116 -25.822 33.817 15.830 1739 2HG GLU 116 2HG GLU 116 -24.549 32.790 15.201 1740 H VAL 117 H VAL 117 -22.519 32.108 13.082 1741 HA VAL 117 HA VAL 117 -23.702 29.424 12.889 1742 HB VAL 117 HB VAL 117 -20.862 30.298 12.324 1743 1HG1 VAL 117 1HG1 VAL 117 -20.816 28.029 13.001 1744 2HG1 VAL 117 2HG1 VAL 117 -22.299 27.643 12.096 1745 3HG1 VAL 117 3HG1 VAL 117 -20.790 27.996 11.221 1746 1HG2 VAL 117 1HG2 VAL 117 -22.040 31.225 10.544 1747 2HG2 VAL 117 2HG2 VAL 117 -21.606 29.616 9.919 1748 3HG2 VAL 117 3HG2 VAL 117 -23.251 29.920 10.528 1749 H GLU 118 H GLU 118 -22.513 27.754 14.263 1750 HA GLU 118 HA GLU 118 -21.402 29.014 16.637 1751 1HB GLU 118 1HB GLU 118 -23.643 28.521 17.314 1752 2HB GLU 118 2HB GLU 118 -23.641 26.968 16.501 1753 1HG GLU 118 1HG GLU 118 -22.085 26.025 18.113 1754 2HG GLU 118 2HG GLU 118 -21.746 27.598 18.806 1755 H VAL 119 H VAL 119 -19.511 28.064 17.335 1756 HA VAL 119 HA VAL 119 -18.873 25.455 16.139 1757 HB VAL 119 HB VAL 119 -17.017 27.725 16.882 1758 1HG1 VAL 119 1HG1 VAL 119 -15.946 25.553 17.163 1759 2HG1 VAL 119 2HG1 VAL 119 -16.467 25.060 15.533 1760 3HG1 VAL 119 3HG1 VAL 119 -15.289 26.380 15.730 1761 1HG2 VAL 119 1HG2 VAL 119 -18.037 26.769 14.190 1762 2HG2 VAL 119 2HG2 VAL 119 -18.267 28.368 14.937 1763 3HG2 VAL 119 3HG2 VAL 119 -16.648 27.862 14.399 1764 H LYS 120 H LYS 120 -18.735 23.814 17.573 1765 HA LYS 120 HA LYS 120 -17.698 24.403 20.222 1766 1HB LYS 120 1HB LYS 120 -19.531 23.429 21.399 1767 2HB LYS 120 2HB LYS 120 -20.176 24.679 20.354 1768 1HG LYS 120 1HG LYS 120 -21.662 22.981 19.825 1769 2HG LYS 120 2HG LYS 120 -20.429 22.634 18.628 1770 1HD LYS 120 1HD LYS 120 -19.580 20.789 19.827 1771 2HD LYS 120 2HD LYS 120 -20.172 21.380 21.367 1772 1HE LYS 120 1HE LYS 120 -22.098 20.563 19.157 1773 2HE LYS 120 2HE LYS 120 -21.427 19.374 20.255 1774 1HZ LYS 120 1HZ LYS 120 -22.957 21.755 21.045 1775 2HZ LYS 120 2HZ LYS 120 -23.493 20.213 21.077 1776 3HZ LYS 120 3HZ LYS 120 -22.299 20.684 22.087
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