NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15837 | 1z0r | 4281 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 7.504 15.031 7.250 2 2H MET 1 HT2 MET 1 6.065 15.215 8.117 3 3H MET 1 HT3 MET 1 6.396 16.239 6.806 4 HA MET 1 HA MET 1 4.796 14.645 6.129 5 1HB MET 1 HB2 MET 1 6.012 13.555 4.268 6 2HB MET 1 HB1 MET 1 6.419 15.257 4.437 7 1HG MET 1 HG2 MET 1 8.490 14.615 5.604 8 2HG MET 1 HG1 MET 1 8.082 12.919 5.351 9 1HE MET 1 HE1 MET 1 10.457 12.538 4.224 10 2HE MET 1 HE2 MET 1 10.859 14.241 4.450 11 3HE MET 1 HE3 MET 1 11.062 13.491 2.868 12 H LYS 2 HN LYS 2 3.826 12.826 6.564 13 HA LYS 2 HA LYS 2 5.169 10.357 7.058 14 1HB LYS 2 HB2 LYS 2 4.204 10.021 9.354 15 2HB LYS 2 HB1 LYS 2 5.491 11.216 9.287 16 1HG LYS 2 HG2 LYS 2 3.992 13.005 9.560 17 2HG LYS 2 HG1 LYS 2 2.595 11.999 9.168 18 1HD LYS 2 HD2 LYS 2 4.314 11.714 11.630 19 2HD LYS 2 HD1 LYS 2 2.726 12.485 11.564 20 1HE LYS 2 HE2 LYS 2 1.774 10.346 10.748 21 2HE LYS 2 HE1 LYS 2 3.355 9.598 10.960 22 1HZ LYS 2 HZ1 LYS 2 3.243 10.087 13.320 23 2HZ LYS 2 HZ2 LYS 2 1.912 9.155 12.843 24 3HZ LYS 2 HZ3 LYS 2 1.723 10.815 13.126 25 H SER 3 HN SER 3 2.505 9.998 8.841 26 HA SER 3 HA SER 3 0.769 8.906 6.982 27 1HB SER 3 HB2 SER 3 -0.930 9.165 8.726 28 2HB SER 3 HB1 SER 3 0.609 8.713 9.469 29 HG SER 3 HG SER 3 0.090 11.439 9.220 30 H THR 4 HN THR 4 -0.521 9.710 5.519 31 HA THR 4 HA THR 4 -0.836 12.598 5.459 32 HB THR 4 HB THR 4 -1.703 12.077 3.098 33 HG1 THR 4 HG1 THR 4 -1.959 9.816 3.428 34 1HG2 THR 4 HG21 THR 4 0.488 13.076 3.559 35 2HG2 THR 4 HG22 THR 4 0.572 11.948 2.206 36 3HG2 THR 4 HG23 THR 4 1.172 11.466 3.792 37 H GLY 5 HN GLY 5 -2.601 9.582 5.596 38 1HA GLY 5 HA2 GLY 5 -4.826 9.139 5.999 39 2HA GLY 5 HA1 GLY 5 -5.061 10.859 6.343 40 H ILE 6 HN ILE 6 -3.852 9.154 3.532 41 HA ILE 6 HA ILE 6 -5.608 10.803 1.844 42 HB ILE 6 HB ILE 6 -2.696 10.575 1.968 43 1HG1 ILE 6 HG12 ILE 6 -2.850 12.638 0.573 44 2HG1 ILE 6 HG11 ILE 6 -4.584 12.383 0.421 45 1HG2 ILE 6 HG21 ILE 6 -2.967 9.016 0.107 46 2HG2 ILE 6 HG22 ILE 6 -2.259 10.533 -0.447 47 3HG2 ILE 6 HG23 ILE 6 -3.960 10.190 -0.757 48 1HD1 ILE 6 HD11 ILE 6 -3.075 12.930 2.964 49 2HD1 ILE 6 HD12 ILE 6 -4.807 12.619 2.851 50 3HD1 ILE 6 HD13 ILE 6 -4.118 14.053 2.089 51 H VAL 7 HN VAL 7 -6.858 9.653 0.443 52 HA VAL 7 HA VAL 7 -6.341 6.777 0.341 53 HB VAL 7 HB VAL 7 -8.530 6.384 -0.210 54 1HG1 VAL 7 HG11 VAL 7 -9.972 7.869 1.196 55 2HG1 VAL 7 HG12 VAL 7 -8.547 8.875 1.462 56 3HG1 VAL 7 HG13 VAL 7 -8.557 7.194 2.005 57 1HG2 VAL 7 HG21 VAL 7 -10.097 8.181 -1.076 58 2HG2 VAL 7 HG22 VAL 7 -8.843 7.617 -2.180 59 3HG2 VAL 7 HG23 VAL 7 -8.653 9.161 -1.346 60 H ARG 8 HN ARG 8 -6.158 5.627 -1.576 61 HA ARG 8 HA ARG 8 -6.065 7.139 -4.088 62 1HB ARG 8 HB2 ARG 8 -3.910 5.277 -3.069 63 2HB ARG 8 HB1 ARG 8 -4.054 5.766 -4.755 64 1HG ARG 8 HG2 ARG 8 -3.612 7.614 -2.421 65 2HG ARG 8 HG1 ARG 8 -2.400 7.116 -3.608 66 1HD ARG 8 HD2 ARG 8 -3.793 8.094 -5.385 67 2HD ARG 8 HD1 ARG 8 -4.926 8.656 -4.166 68 HE ARG 8 HE ARG 8 -2.196 9.556 -3.818 69 1HH1 ARG 8 HH11 ARG 8 -5.333 10.215 -5.197 70 2HH1 ARG 8 HH12 ARG 8 -5.096 11.940 -5.263 71 1HH2 ARG 8 HH21 ARG 8 -1.874 11.846 -3.886 72 2HH2 ARG 8 HH22 ARG 8 -3.145 12.857 -4.482 73 H LYS 9 HN LYS 9 -6.323 5.839 -5.969 74 HA LYS 9 HA LYS 9 -8.138 3.626 -5.553 75 1HB LYS 9 HB2 LYS 9 -6.944 4.650 -8.139 76 2HB LYS 9 HB1 LYS 9 -8.349 3.611 -7.977 77 1HG LYS 9 HG2 LYS 9 -8.519 6.192 -6.584 78 2HG LYS 9 HG1 LYS 9 -8.460 6.275 -8.344 79 1HD LYS 9 HD2 LYS 9 -10.737 6.133 -7.917 80 2HD LYS 9 HD1 LYS 9 -10.301 4.459 -8.260 81 1HE LYS 9 HE2 LYS 9 -10.180 4.012 -5.854 82 2HE LYS 9 HE1 LYS 9 -10.627 5.683 -5.522 83 1HZ LYS 9 HZ1 LYS 9 -12.689 5.183 -6.887 84 2HZ LYS 9 HZ2 LYS 9 -12.602 4.486 -5.347 85 3HZ LYS 9 HZ3 LYS 9 -12.281 3.544 -6.723 86 H VAL 10 HN VAL 10 -7.840 1.523 -6.410 87 HA VAL 10 HA VAL 10 -5.076 0.622 -6.150 88 HB VAL 10 HB VAL 10 -7.557 -1.066 -6.533 89 1HG1 VAL 10 HG11 VAL 10 -6.242 -2.842 -5.509 90 2HG1 VAL 10 HG12 VAL 10 -4.855 -1.759 -5.381 91 3HG1 VAL 10 HG13 VAL 10 -5.455 -2.242 -6.968 92 1HG2 VAL 10 HG21 VAL 10 -6.257 -0.088 -3.994 93 2HG2 VAL 10 HG22 VAL 10 -7.507 -1.330 -4.069 94 3HG2 VAL 10 HG23 VAL 10 -7.866 0.318 -4.586 95 H ASP 11 HN ASP 11 -6.613 1.979 -8.510 96 HA ASP 11 HA ASP 11 -5.899 2.397 -10.599 97 1HB ASP 11 HB2 ASP 11 -3.671 1.665 -9.659 98 2HB ASP 11 HB1 ASP 11 -3.994 0.082 -10.354 99 H GLU 12 HN GLU 12 -5.163 -1.023 -10.996 100 HA GLU 12 HA GLU 12 -7.669 -1.609 -12.282 101 1HB GLU 12 HB2 GLU 12 -6.407 -2.040 -14.520 102 2HB GLU 12 HB1 GLU 12 -6.875 -0.385 -14.123 103 1HG GLU 12 HG2 GLU 12 -4.545 -0.161 -13.116 104 2HG GLU 12 HG1 GLU 12 -4.168 -1.664 -13.950 105 H LEU 13 HN LEU 13 -4.237 -2.547 -12.312 106 HA LEU 13 HA LEU 13 -4.964 -5.339 -12.517 107 1HB LEU 13 HB2 LEU 13 -2.376 -3.834 -12.542 108 2HB LEU 13 HB1 LEU 13 -2.373 -5.565 -12.266 109 HG LEU 13 HG LEU 13 -1.943 -5.114 -14.600 110 1HD1 LEU 13 HD11 LEU 13 -3.712 -6.444 -15.618 111 2HD1 LEU 13 HD12 LEU 13 -4.728 -6.190 -14.198 112 3HD1 LEU 13 HD13 LEU 13 -3.229 -7.110 -14.056 113 1HD2 LEU 13 HD21 LEU 13 -2.971 -2.939 -14.828 114 2HD2 LEU 13 HD22 LEU 13 -4.577 -3.630 -14.585 115 3HD2 LEU 13 HD23 LEU 13 -3.643 -4.042 -16.028 116 H GLY 14 HN GLY 14 -4.572 -3.133 -10.044 117 1HA GLY 14 HA2 GLY 14 -5.245 -3.938 -7.839 118 2HA GLY 14 HA1 GLY 14 -4.203 -5.332 -8.111 119 H ARG 15 HN ARG 15 -2.946 -2.474 -9.307 120 HA ARG 15 HA ARG 15 -1.090 -2.308 -7.085 121 1HB ARG 15 HB2 ARG 15 0.237 -0.903 -8.682 122 2HB ARG 15 HB1 ARG 15 -0.038 -2.553 -9.212 123 1HG ARG 15 HG2 ARG 15 -2.094 -1.456 -10.437 124 2HG ARG 15 HG1 ARG 15 -1.100 0.000 -10.283 125 1HD ARG 15 HD2 ARG 15 0.714 -1.060 -11.449 126 2HD ARG 15 HD1 ARG 15 -0.167 -2.588 -11.515 127 HE ARG 15 HE ARG 15 -1.799 -0.704 -12.726 128 1HH1 ARG 15 HH11 ARG 15 1.497 -1.783 -13.272 129 2HH1 ARG 15 HH12 ARG 15 1.362 -1.715 -15.004 130 1HH2 ARG 15 HH21 ARG 15 -1.965 -0.608 -15.025 131 2HH2 ARG 15 HH22 ARG 15 -0.583 -1.030 -15.986 132 H VAL 16 HN VAL 16 -1.447 -0.820 -5.549 133 HA VAL 16 HA VAL 16 -3.338 1.327 -6.054 134 HB VAL 16 HB VAL 16 -3.224 0.061 -3.839 135 1HG1 VAL 16 HG11 VAL 16 -0.832 0.045 -3.515 136 2HG1 VAL 16 HG12 VAL 16 -1.657 0.822 -2.161 137 3HG1 VAL 16 HG13 VAL 16 -0.835 1.805 -3.374 138 1HG2 VAL 16 HG21 VAL 16 -3.722 2.063 -2.502 139 2HG2 VAL 16 HG22 VAL 16 -4.511 2.093 -4.079 140 3HG2 VAL 16 HG23 VAL 16 -3.066 3.065 -3.797 141 H VAL 17 HN VAL 17 -2.775 3.364 -6.595 142 HA VAL 17 HA VAL 17 0.004 3.811 -7.154 143 HB VAL 17 HB VAL 17 -2.195 5.867 -7.320 144 1HG1 VAL 17 HG11 VAL 17 0.459 5.637 -8.724 145 2HG1 VAL 17 HG12 VAL 17 0.039 6.791 -7.458 146 3HG1 VAL 17 HG13 VAL 17 -0.752 6.881 -9.031 147 1HG2 VAL 17 HG21 VAL 17 -1.337 3.868 -9.404 148 2HG2 VAL 17 HG22 VAL 17 -2.414 5.236 -9.696 149 3HG2 VAL 17 HG23 VAL 17 -2.906 3.945 -8.599 150 H ILE 18 HN ILE 18 0.909 3.651 -5.116 151 HA ILE 18 HA ILE 18 0.156 5.317 -2.984 152 HB ILE 18 HB ILE 18 1.315 3.511 -2.231 153 1HG1 ILE 18 HG12 ILE 18 3.569 5.502 -2.308 154 2HG1 ILE 18 HG11 ILE 18 2.139 5.726 -1.300 155 1HG2 ILE 18 HG21 ILE 18 3.450 3.981 -4.283 156 2HG2 ILE 18 HG22 ILE 18 2.238 2.699 -4.299 157 3HG2 ILE 18 HG23 ILE 18 3.488 2.719 -3.053 158 1HD1 ILE 18 HD11 ILE 18 4.009 4.796 -0.050 159 2HD1 ILE 18 HD12 ILE 18 4.053 3.412 -1.141 160 3HD1 ILE 18 HD13 ILE 18 2.648 3.672 -0.102 161 HA PRO 19 HA PRO 19 1.426 9.044 -4.901 162 1HB PRO 19 HB2 PRO 19 1.736 9.947 -2.078 163 2HB PRO 19 HB1 PRO 19 0.877 10.720 -3.416 164 1HG PRO 19 HG2 PRO 19 -0.491 9.431 -1.548 165 2HG PRO 19 HG1 PRO 19 -0.942 9.259 -3.256 166 1HD PRO 19 HD2 PRO 19 0.548 7.354 -1.489 167 2HD PRO 19 HD1 PRO 19 -0.666 7.019 -2.744 168 H ILE 20 HN ILE 20 3.260 10.086 -5.455 169 HA ILE 20 HA ILE 20 5.739 8.885 -4.967 170 HB ILE 20 HB ILE 20 6.757 10.790 -6.085 171 1HG1 ILE 20 HG12 ILE 20 4.854 12.530 -6.911 172 2HG1 ILE 20 HG11 ILE 20 4.232 12.141 -5.307 173 1HG2 ILE 20 HG21 ILE 20 4.128 10.048 -7.349 174 2HG2 ILE 20 HG22 ILE 20 5.607 9.091 -7.405 175 3HG2 ILE 20 HG23 ILE 20 5.549 10.673 -8.187 176 1HD1 ILE 20 HD11 ILE 20 6.280 12.873 -4.280 177 2HD1 ILE 20 HD12 ILE 20 5.664 14.146 -5.341 178 3HD1 ILE 20 HD13 ILE 20 7.016 13.141 -5.864 179 H GLU 21 HN GLU 21 4.048 11.437 -3.387 180 HA GLU 21 HA GLU 21 6.189 12.585 -1.956 181 1HB GLU 21 HB2 GLU 21 3.847 13.009 -0.482 182 2HB GLU 21 HB1 GLU 21 4.540 14.088 -1.689 183 1HG GLU 21 HG2 GLU 21 3.209 13.036 -3.433 184 2HG GLU 21 HG1 GLU 21 2.558 11.885 -2.266 185 H LEU 22 HN LEU 22 3.810 10.106 -1.203 186 HA LEU 22 HA LEU 22 4.721 9.739 1.445 187 1HB LEU 22 HB2 LEU 22 2.984 8.175 -0.401 188 2HB LEU 22 HB1 LEU 22 3.553 7.434 1.090 189 HG LEU 22 HG LEU 22 2.674 9.736 2.085 190 1HD1 LEU 22 HD11 LEU 22 0.896 9.257 -0.292 191 2HD1 LEU 22 HD12 LEU 22 1.954 10.646 -0.033 192 3HD1 LEU 22 HD13 LEU 22 0.571 10.379 1.031 193 1HD2 LEU 22 HD21 LEU 22 0.607 8.544 2.681 194 2HD2 LEU 22 HD22 LEU 22 2.035 7.520 2.839 195 3HD2 LEU 22 HD23 LEU 22 0.965 7.336 1.448 196 H ARG 23 HN ARG 23 5.401 8.016 -1.609 197 HA ARG 23 HA ARG 23 7.175 6.221 -0.275 198 1HB ARG 23 HB2 ARG 23 7.866 5.478 -2.514 199 2HB ARG 23 HB1 ARG 23 6.120 5.536 -2.369 200 1HG ARG 23 HG2 ARG 23 6.417 6.421 -4.446 201 2HG ARG 23 HG1 ARG 23 6.405 7.893 -3.471 202 1HD ARG 23 HD2 ARG 23 8.838 7.943 -3.483 203 2HD ARG 23 HD1 ARG 23 8.886 6.423 -4.377 204 HE ARG 23 HE ARG 23 7.650 7.718 -6.174 205 1HH1 ARG 23 HH11 ARG 23 9.930 9.226 -3.961 206 2HH1 ARG 23 HH12 ARG 23 10.308 10.526 -5.056 207 1HH2 ARG 23 HH21 ARG 23 8.160 9.398 -7.589 208 2HH2 ARG 23 HH22 ARG 23 9.297 10.626 -7.114 209 H ARG 24 HN ARG 24 7.388 9.423 -1.199 210 HA ARG 24 HA ARG 24 10.264 9.579 -1.293 211 1HB ARG 24 HB2 ARG 24 8.878 11.232 -2.414 212 2HB ARG 24 HB1 ARG 24 8.126 11.668 -0.880 213 1HG ARG 24 HG2 ARG 24 10.733 11.997 -0.294 214 2HG ARG 24 HG1 ARG 24 10.727 12.411 -2.007 215 1HD ARG 24 HD2 ARG 24 9.113 14.118 -1.689 216 2HD ARG 24 HD1 ARG 24 8.778 13.587 -0.040 217 HE ARG 24 HE ARG 24 11.503 14.328 -0.374 218 1HH1 ARG 24 HH11 ARG 24 8.281 15.619 0.077 219 2HH1 ARG 24 HH12 ARG 24 8.829 17.095 0.814 220 1HH2 ARG 24 HH21 ARG 24 12.243 16.288 0.604 221 2HH2 ARG 24 HH22 ARG 24 11.076 17.472 1.113 222 H THR 25 HN THR 25 7.700 9.761 1.035 223 HA THR 25 HA THR 25 9.183 10.873 3.168 224 HB THR 25 HB THR 25 6.710 9.138 3.236 225 HG1 THR 25 HG1 THR 25 6.773 11.334 2.111 226 1HG2 THR 25 HG21 THR 25 6.325 10.165 5.449 227 2HG2 THR 25 HG22 THR 25 7.913 10.930 5.347 228 3HG2 THR 25 HG23 THR 25 7.782 9.171 5.408 229 H LEU 26 HN LEU 26 8.389 7.580 2.190 230 HA LEU 26 HA LEU 26 10.063 6.460 4.275 231 1HB LEU 26 HB2 LEU 26 8.711 5.026 2.002 232 2HB LEU 26 HB1 LEU 26 9.425 4.304 3.427 233 HG LEU 26 HG LEU 26 7.185 4.200 3.903 234 1HD1 LEU 26 HD11 LEU 26 8.364 5.310 5.731 235 2HD1 LEU 26 HD12 LEU 26 6.671 5.797 5.639 236 3HD1 LEU 26 HD13 LEU 26 7.933 6.876 5.042 237 1HD2 LEU 26 HD21 LEU 26 6.527 5.533 1.906 238 2HD2 LEU 26 HD22 LEU 26 6.695 6.975 2.912 239 3HD2 LEU 26 HD23 LEU 26 5.506 5.742 3.333 240 H GLY 27 HN GLY 27 10.508 7.758 1.250 241 1HA GLY 27 HA2 GLY 27 12.319 7.894 -0.132 242 2HA GLY 27 HA1 GLY 27 13.250 7.154 1.146 243 H ILE 28 HN ILE 28 10.478 5.705 -0.366 244 HA ILE 28 HA ILE 28 12.069 3.529 -1.476 245 HB ILE 28 HB ILE 28 9.351 3.291 -2.241 246 1HG1 ILE 28 HG12 ILE 28 9.536 3.735 0.732 247 2HG1 ILE 28 HG11 ILE 28 9.066 5.024 -0.371 248 1HG2 ILE 28 HG21 ILE 28 10.865 1.459 -1.800 249 2HG2 ILE 28 HG22 ILE 28 9.420 1.316 -0.796 250 3HG2 ILE 28 HG23 ILE 28 10.932 1.893 -0.091 251 1HD1 ILE 28 HD11 ILE 28 7.220 3.613 -1.173 252 2HD1 ILE 28 HD12 ILE 28 7.110 4.000 0.545 253 3HD1 ILE 28 HD13 ILE 28 7.660 2.404 0.035 254 H ALA 29 HN ALA 29 10.932 2.802 -3.707 255 HA ALA 29 HA ALA 29 10.343 5.086 -5.400 256 1HB ALA 29 HB1 ALA 29 12.638 3.229 -6.033 257 2HB ALA 29 HB2 ALA 29 12.785 4.918 -5.546 258 3HB ALA 29 HB3 ALA 29 12.019 4.507 -7.081 259 H GLU 30 HN GLU 30 10.018 4.189 -7.740 260 HA GLU 30 HA GLU 30 7.824 2.413 -7.574 261 1HB GLU 30 HB2 GLU 30 7.862 2.622 -10.079 262 2HB GLU 30 HB1 GLU 30 7.894 4.175 -9.244 263 1HG GLU 30 HG2 GLU 30 10.315 4.295 -9.541 264 2HG GLU 30 HG1 GLU 30 10.298 2.736 -10.359 265 H LYS 31 HN LYS 31 11.130 2.051 -8.635 266 HA LYS 31 HA LYS 31 10.769 -0.668 -9.473 267 1HB LYS 31 HB2 LYS 31 13.347 0.803 -8.956 268 2HB LYS 31 HB1 LYS 31 13.119 -0.653 -9.916 269 1HG LYS 31 HG2 LYS 31 11.762 1.908 -10.629 270 2HG LYS 31 HG1 LYS 31 13.417 1.570 -11.141 271 1HD LYS 31 HD2 LYS 31 12.151 0.855 -12.956 272 2HD LYS 31 HD1 LYS 31 12.421 -0.637 -12.056 273 1HE LYS 31 HE2 LYS 31 10.220 -0.504 -11.085 274 2HE LYS 31 HE1 LYS 31 9.948 1.075 -11.822 275 1HZ LYS 31 HZ1 LYS 31 8.841 -0.652 -13.075 276 2HZ LYS 31 HZ2 LYS 31 10.295 -1.499 -13.269 277 3HZ LYS 31 HZ3 LYS 31 10.094 0.014 -14.006 278 H ASP 32 HN ASP 32 10.833 0.807 -6.556 279 HA ASP 32 HA ASP 32 12.476 -1.096 -5.184 280 1HB ASP 32 HB2 ASP 32 11.893 1.453 -4.585 281 2HB ASP 32 HB1 ASP 32 10.688 0.618 -3.609 282 H ALA 33 HN ALA 33 11.496 -2.044 -3.144 283 HA ALA 33 HA ALA 33 8.898 -3.242 -3.870 284 1HB ALA 33 HB1 ALA 33 9.597 -5.304 -2.760 285 2HB ALA 33 HB2 ALA 33 11.161 -4.583 -2.370 286 3HB ALA 33 HB3 ALA 33 10.725 -4.886 -4.051 287 H LEU 34 HN LEU 34 7.630 -3.883 -2.038 288 HA LEU 34 HA LEU 34 8.208 -2.351 0.398 289 1HB LEU 34 HB2 LEU 34 5.657 -2.437 -1.209 290 2HB LEU 34 HB1 LEU 34 5.698 -1.937 0.474 291 HG LEU 34 HG LEU 34 7.384 -0.591 -1.644 292 1HD1 LEU 34 HD11 LEU 34 5.666 1.144 -1.734 293 2HD1 LEU 34 HD12 LEU 34 4.636 0.210 -0.649 294 3HD1 LEU 34 HD13 LEU 34 5.005 -0.402 -2.263 295 1HD2 LEU 34 HD21 LEU 34 8.056 -0.299 0.688 296 2HD2 LEU 34 HD22 LEU 34 6.426 0.243 1.102 297 3HD2 LEU 34 HD23 LEU 34 7.431 1.205 0.011 298 H GLU 35 HN GLU 35 7.937 -3.533 2.160 299 HA GLU 35 HA GLU 35 7.128 -6.285 1.805 300 1HB GLU 35 HB2 GLU 35 9.278 -5.537 2.953 301 2HB GLU 35 HB1 GLU 35 8.253 -5.008 4.286 302 1HG GLU 35 HG2 GLU 35 7.431 -7.251 4.582 303 2HG GLU 35 HG1 GLU 35 8.352 -7.788 3.178 304 H ILE 36 HN ILE 36 4.994 -6.359 1.762 305 HA ILE 36 HA ILE 36 3.443 -4.628 3.518 306 HB ILE 36 HB ILE 36 2.597 -6.510 1.331 307 1HG1 ILE 36 HG12 ILE 36 1.991 -3.833 0.710 308 2HG1 ILE 36 HG11 ILE 36 3.640 -3.834 1.335 309 1HG2 ILE 36 HG21 ILE 36 1.021 -4.633 3.069 310 2HG2 ILE 36 HG22 ILE 36 0.751 -6.355 2.792 311 3HG2 ILE 36 HG23 ILE 36 0.426 -5.194 1.504 312 1HD1 ILE 36 HD11 ILE 36 4.216 -5.588 -0.289 313 2HD1 ILE 36 HD12 ILE 36 3.670 -4.094 -1.054 314 3HD1 ILE 36 HD13 ILE 36 2.583 -5.480 -0.952 315 H TYR 37 HN TYR 37 2.249 -5.198 5.131 316 HA TYR 37 HA TYR 37 1.719 -8.023 5.784 317 1HB TYR 37 HB2 TYR 37 2.571 -5.875 7.762 318 2HB TYR 37 HB1 TYR 37 2.041 -7.496 8.181 319 HD1 TYR 37 HD1 TYR 37 4.668 -5.785 6.145 320 HD2 TYR 37 HD2 TYR 37 3.621 -9.098 8.597 321 HE1 TYR 37 HE1 TYR 37 6.994 -6.568 6.070 322 HE2 TYR 37 HE2 TYR 37 5.945 -9.894 8.526 323 HH TYR 37 HH TYR 37 8.508 -7.964 7.121 324 H VAL 38 HN VAL 38 0.000 -7.799 7.803 325 HA VAL 38 HA VAL 38 -1.737 -5.506 7.442 326 HB VAL 38 HB VAL 38 -2.597 -8.282 6.682 327 1HG1 VAL 38 HG11 VAL 38 -4.282 -6.131 7.916 328 2HG1 VAL 38 HG12 VAL 38 -4.276 -7.872 8.236 329 3HG1 VAL 38 HG13 VAL 38 -4.975 -7.256 6.738 330 1HG2 VAL 38 HG21 VAL 38 -1.950 -6.773 4.891 331 2HG2 VAL 38 HG22 VAL 38 -3.117 -5.580 5.462 332 3HG2 VAL 38 HG23 VAL 38 -3.677 -7.124 4.820 333 H ASP 39 HN ASP 39 -2.601 -4.891 9.223 334 HA ASP 39 HA ASP 39 -2.310 -6.503 11.642 335 1HB ASP 39 HB2 ASP 39 -1.445 -4.240 11.797 336 2HB ASP 39 HB1 ASP 39 -2.959 -3.570 11.203 337 H ASP 40 HN ASP 40 -3.911 -7.953 11.277 338 HA ASP 40 HA ASP 40 -5.941 -8.908 11.362 339 1HB ASP 40 HB2 ASP 40 -6.141 -7.658 13.469 340 2HB ASP 40 HB1 ASP 40 -6.821 -6.291 12.581 341 H GLU 41 HN GLU 41 -6.691 -5.521 10.630 342 HA GLU 41 HA GLU 41 -8.373 -6.441 8.395 343 1HB GLU 41 HB2 GLU 41 -9.718 -4.336 8.979 344 2HB GLU 41 HB1 GLU 41 -9.853 -5.716 10.065 345 1HG GLU 41 HG2 GLU 41 -8.257 -4.706 11.589 346 2HG GLU 41 HG1 GLU 41 -8.063 -3.335 10.492 347 H LYS 42 HN LYS 42 -5.629 -4.623 9.188 348 HA LYS 42 HA LYS 42 -6.072 -2.959 6.822 349 1HB LYS 42 HB2 LYS 42 -5.113 -1.036 7.886 350 2HB LYS 42 HB1 LYS 42 -6.424 -1.661 8.878 351 1HG LYS 42 HG2 LYS 42 -4.942 -2.559 10.464 352 2HG LYS 42 HG1 LYS 42 -3.552 -2.343 9.396 353 1HD LYS 42 HD2 LYS 42 -3.894 0.104 9.522 354 2HD LYS 42 HD1 LYS 42 -5.195 -0.167 10.682 355 1HE LYS 42 HE2 LYS 42 -2.459 -1.281 11.138 356 2HE LYS 42 HE1 LYS 42 -2.834 0.394 11.560 357 1HZ LYS 42 HZ1 LYS 42 -3.980 -2.105 12.685 358 2HZ LYS 42 HZ2 LYS 42 -4.765 -0.613 12.864 359 3HZ LYS 42 HZ3 LYS 42 -3.214 -0.831 13.504 360 H ILE 43 HN ILE 43 -4.249 -2.031 5.827 361 HA ILE 43 HA ILE 43 -2.295 -4.157 5.448 362 HB ILE 43 HB ILE 43 -2.779 -1.695 3.768 363 1HG1 ILE 43 HG12 ILE 43 -3.983 -4.429 3.338 364 2HG1 ILE 43 HG11 ILE 43 -4.838 -3.122 4.150 365 1HG2 ILE 43 HG21 ILE 43 -1.711 -4.370 2.918 366 2HG2 ILE 43 HG22 ILE 43 -0.674 -3.055 3.473 367 3HG2 ILE 43 HG23 ILE 43 -1.678 -2.839 2.032 368 1HD1 ILE 43 HD11 ILE 43 -5.477 -3.318 1.809 369 2HD1 ILE 43 HD12 ILE 43 -3.801 -3.050 1.327 370 3HD1 ILE 43 HD13 ILE 43 -4.701 -1.769 2.139 371 H ILE 44 HN ILE 44 -0.114 -3.871 5.624 372 HA ILE 44 HA ILE 44 0.839 -1.277 6.670 373 HB ILE 44 HB ILE 44 2.377 -3.642 7.514 374 1HG1 ILE 44 HG12 ILE 44 0.068 -4.524 7.749 375 2HG1 ILE 44 HG11 ILE 44 0.904 -4.356 9.287 376 1HG2 ILE 44 HG21 ILE 44 1.312 -1.239 8.988 377 2HG2 ILE 44 HG22 ILE 44 2.906 -1.389 8.248 378 3HG2 ILE 44 HG23 ILE 44 2.472 -2.405 9.623 379 1HD1 ILE 44 HD11 ILE 44 -0.941 -2.223 8.307 380 2HD1 ILE 44 HD12 ILE 44 -0.444 -2.598 9.960 381 3HD1 ILE 44 HD13 ILE 44 -1.557 -3.674 9.101 382 H LEU 45 HN LEU 45 2.001 -0.477 4.990 383 HA LEU 45 HA LEU 45 3.710 -2.323 3.489 384 1HB LEU 45 HB2 LEU 45 2.639 0.427 2.954 385 2HB LEU 45 HB1 LEU 45 4.119 -0.085 2.149 386 HG LEU 45 HG LEU 45 2.876 -2.034 1.209 387 1HD1 LEU 45 HD11 LEU 45 0.442 -2.013 1.257 388 2HD1 LEU 45 HD12 LEU 45 0.465 -0.609 2.328 389 3HD1 LEU 45 HD13 LEU 45 1.102 -2.156 2.888 390 1HD2 LEU 45 HD21 LEU 45 1.788 0.711 0.587 391 2HD2 LEU 45 HD22 LEU 45 1.629 -0.705 -0.451 392 3HD2 LEU 45 HD23 LEU 45 3.225 -0.031 -0.115 393 H LYS 46 HN LYS 46 5.594 -2.629 4.513 394 HA LYS 46 HA LYS 46 7.106 -0.246 5.356 395 1HB LYS 46 HB2 LYS 46 7.783 -3.192 5.591 396 2HB LYS 46 HB1 LYS 46 8.778 -1.874 6.194 397 1HG LYS 46 HG2 LYS 46 6.830 -1.241 7.663 398 2HG LYS 46 HG1 LYS 46 6.092 -2.772 7.182 399 1HD LYS 46 HD2 LYS 46 8.764 -2.440 8.534 400 2HD LYS 46 HD1 LYS 46 7.277 -2.997 9.304 401 1HE LYS 46 HE2 LYS 46 8.183 -5.024 8.837 402 2HE LYS 46 HE1 LYS 46 7.379 -4.735 7.294 403 1HZ LYS 46 HZ1 LYS 46 9.515 -3.809 6.477 404 2HZ LYS 46 HZ2 LYS 46 9.592 -5.456 6.859 405 3HZ LYS 46 HZ3 LYS 46 10.252 -4.305 7.918 406 H LYS 47 HN LYS 47 9.227 0.073 4.399 407 HA LYS 47 HA LYS 47 9.237 -0.613 1.604 408 1HB LYS 47 HB2 LYS 47 11.219 0.681 1.416 409 2HB LYS 47 HB1 LYS 47 10.224 1.527 2.587 410 1HG LYS 47 HG2 LYS 47 11.574 0.860 4.382 411 2HG LYS 47 HG1 LYS 47 12.368 -0.395 3.420 412 1HD LYS 47 HD2 LYS 47 12.590 2.568 2.969 413 2HD LYS 47 HD1 LYS 47 13.818 1.544 3.724 414 1HE LYS 47 HE2 LYS 47 13.819 0.188 1.613 415 2HE LYS 47 HE1 LYS 47 12.808 1.438 0.893 416 1HZ LYS 47 HZ1 LYS 47 15.534 1.863 2.000 417 2HZ LYS 47 HZ2 LYS 47 14.564 3.048 1.273 418 3HZ LYS 47 HZ3 LYS 47 15.146 1.746 0.353 419 H TYR 48 HN TYR 48 10.702 -2.032 0.563 420 HA TYR 48 HA TYR 48 11.300 -4.373 2.006 421 1HB TYR 48 HB2 TYR 48 10.883 -4.411 -0.387 422 2HB TYR 48 HB1 TYR 48 12.304 -3.420 -0.675 423 HD1 TYR 48 HD1 TYR 48 11.340 -6.689 0.837 424 HD2 TYR 48 HD2 TYR 48 14.277 -4.466 -1.288 425 HE1 TYR 48 HE1 TYR 48 12.681 -8.728 0.567 426 HE2 TYR 48 HE2 TYR 48 15.629 -6.501 -1.563 427 HH TYR 48 HH TYR 48 15.914 -8.690 -0.471 428 H LYS 49 HN LYS 49 13.214 -5.207 2.726 429 HA LYS 49 HA LYS 49 15.059 -3.315 3.780 430 1HB LYS 49 HB2 LYS 49 14.408 -5.696 4.649 431 2HB LYS 49 HB1 LYS 49 15.684 -6.235 3.563 432 1HG LYS 49 HG2 LYS 49 16.499 -5.955 5.843 433 2HG LYS 49 HG1 LYS 49 17.297 -4.838 4.730 434 1HD LYS 49 HD2 LYS 49 16.722 -3.684 6.779 435 2HD LYS 49 HD1 LYS 49 15.722 -3.070 5.456 436 1HE LYS 49 HE2 LYS 49 13.931 -4.639 6.175 437 2HE LYS 49 HE1 LYS 49 14.922 -5.065 7.567 438 1HZ LYS 49 HZ1 LYS 49 13.839 -2.369 6.943 439 2HZ LYS 49 HZ2 LYS 49 14.842 -2.734 8.261 440 3HZ LYS 49 HZ3 LYS 49 13.295 -3.412 8.163 441 HA PRO 50 HA PRO 50 17.330 -3.078 -0.030 442 1HB PRO 50 HB2 PRO 50 18.963 -1.061 0.663 443 2HB PRO 50 HB1 PRO 50 17.240 -0.804 0.363 444 1HG PRO 50 HG2 PRO 50 18.671 -1.117 2.975 445 2HG PRO 50 HG1 PRO 50 17.437 0.070 2.515 446 1HD PRO 50 HD2 PRO 50 16.876 -2.179 3.935 447 2HD PRO 50 HD1 PRO 50 15.712 -1.413 2.837 448 H ASN 51 HN ASN 51 18.027 -5.133 1.777 449 HA ASN 51 HA ASN 51 20.890 -5.072 2.177 450 1HB ASN 51 HB2 ASN 51 19.596 -6.226 3.820 451 2HB ASN 51 HB1 ASN 51 18.774 -7.180 2.593 452 1HD2 ASN 51 HD21 ASN 51 19.337 -9.118 3.444 453 2HD2 ASN 51 HD22 ASN 51 20.955 -9.733 3.438 454 H MET 52 HN MET 52 21.874 -4.946 0.230 455 HA MET 52 HA MET 52 21.294 -7.102 -1.676 456 1HB MET 52 HB2 MET 52 22.442 -5.659 -3.368 457 2HB MET 52 HB1 MET 52 20.949 -4.987 -2.734 458 1HG MET 52 HG2 MET 52 22.262 -3.547 -1.232 459 2HG MET 52 HG1 MET 52 23.742 -4.189 -1.945 460 1HE MET 52 HE1 MET 52 24.557 -1.736 -2.476 461 2HE MET 52 HE2 MET 52 23.078 -1.059 -1.793 462 3HE MET 52 HE3 MET 52 23.617 -0.559 -3.396 463 H THR 53 HN THR 53 22.670 -8.688 -1.702 464 HA THR 53 HA THR 53 25.294 -8.314 -0.489 465 HB THR 53 HB THR 53 23.987 -10.891 -1.387 466 HG1 THR 53 HG1 THR 53 23.904 -9.449 1.063 467 1HG2 THR 53 HG21 THR 53 25.607 -11.931 0.145 468 2HG2 THR 53 HG22 THR 53 26.315 -10.346 0.463 469 3HG2 THR 53 HG23 THR 53 26.410 -11.048 -1.152 470 1H MET 1 HT1 MET 1 -6.803 -15.601 6.889 471 2H MET 1 HT2 MET 1 -5.178 -15.938 7.226 472 3H MET 1 HT3 MET 1 -5.926 -16.639 5.875 473 HA MET 1 HA MET 1 -4.445 -14.817 5.297 474 1HB MET 1 HB2 MET 1 -6.028 -13.621 3.834 475 2HB MET 1 HB1 MET 1 -6.265 -15.361 3.791 476 1HG MET 1 HG2 MET 1 -8.190 -15.146 5.267 477 2HG MET 1 HG1 MET 1 -7.936 -13.403 5.349 478 1HE MET 1 HE1 MET 1 -10.714 -14.681 4.589 479 2HE MET 1 HE2 MET 1 -11.200 -13.728 3.187 480 3HE MET 1 HE3 MET 1 -10.465 -12.934 4.578 481 H LYS 2 HN LYS 2 -3.520 -13.084 5.991 482 HA LYS 2 HA LYS 2 -4.922 -10.715 6.656 483 1HB LYS 2 HB2 LYS 2 -4.000 -10.436 8.971 484 2HB LYS 2 HB1 LYS 2 -5.245 -11.667 8.843 485 1HG LYS 2 HG2 LYS 2 -3.711 -13.413 9.118 486 2HG LYS 2 HG1 LYS 2 -2.336 -12.378 8.729 487 1HD LYS 2 HD2 LYS 2 -4.056 -12.122 11.191 488 2HD LYS 2 HD1 LYS 2 -2.469 -12.894 11.130 489 1HE LYS 2 HE2 LYS 2 -1.517 -10.745 10.312 490 2HE LYS 2 HE1 LYS 2 -3.099 -10.005 10.551 491 1HZ LYS 2 HZ1 LYS 2 -1.370 -9.766 12.394 492 2HZ LYS 2 HZ2 LYS 2 -1.733 -11.380 12.775 493 3HZ LYS 2 HZ3 LYS 2 -2.946 -10.201 12.840 494 H SER 3 HN SER 3 -2.212 -10.483 8.482 495 HA SER 3 HA SER 3 -0.517 -9.245 6.645 496 1HB SER 3 HB2 SER 3 1.187 -9.538 8.382 497 2HB SER 3 HB1 SER 3 -0.355 -9.104 9.126 498 HG SER 3 HG SER 3 1.054 -11.515 9.216 499 H THR 4 HN THR 4 0.760 -9.979 5.154 500 HA THR 4 HA THR 4 1.078 -12.865 4.958 501 HB THR 4 HB THR 4 1.919 -12.218 2.610 502 HG1 THR 4 HG1 THR 4 2.147 -9.982 3.016 503 1HG2 THR 4 HG21 THR 4 -0.252 -13.282 3.051 504 2HG2 THR 4 HG22 THR 4 -0.358 -12.107 1.740 505 3HG2 THR 4 HG23 THR 4 -0.963 -11.696 3.345 506 H GLY 5 HN GLY 5 2.840 -9.851 5.173 507 1HA GLY 5 HA2 GLY 5 5.075 -9.408 5.503 508 2HA GLY 5 HA1 GLY 5 5.327 -11.135 5.787 509 H ILE 6 HN ILE 6 4.043 -9.315 3.078 510 HA ILE 6 HA ILE 6 5.750 -10.892 1.270 511 HB ILE 6 HB ILE 6 2.832 -10.670 1.472 512 1HG1 ILE 6 HG12 ILE 6 2.930 -12.712 0.071 513 2HG1 ILE 6 HG11 ILE 6 4.655 -12.466 -0.171 514 1HG2 ILE 6 HG21 ILE 6 3.085 -9.073 -0.363 515 2HG2 ILE 6 HG22 ILE 6 2.345 -10.570 -0.926 516 3HG2 ILE 6 HG23 ILE 6 4.043 -10.243 -1.273 517 1HD1 ILE 6 HD11 ILE 6 3.294 -13.009 2.456 518 2HD1 ILE 6 HD12 ILE 6 5.024 -12.759 2.222 519 3HD1 ILE 6 HD13 ILE 6 4.231 -14.161 1.504 520 H VAL 7 HN VAL 7 6.964 -9.675 -0.086 521 HA VAL 7 HA VAL 7 6.405 -6.808 -0.113 522 HB VAL 7 HB VAL 7 8.574 -6.393 -0.776 523 1HG1 VAL 7 HG11 VAL 7 8.591 -7.195 1.471 524 2HG1 VAL 7 HG12 VAL 7 10.046 -7.771 0.657 525 3HG1 VAL 7 HG13 VAL 7 8.692 -8.869 0.922 526 1HG2 VAL 7 HG21 VAL 7 10.126 -8.177 -1.645 527 2HG2 VAL 7 HG22 VAL 7 8.813 -7.708 -2.719 528 3HG2 VAL 7 HG23 VAL 7 8.709 -9.216 -1.805 529 H ARG 8 HN ARG 8 6.175 -5.608 -1.992 530 HA ARG 8 HA ARG 8 6.049 -7.018 -4.553 531 1HB ARG 8 HB2 ARG 8 3.853 -5.292 -3.397 532 2HB ARG 8 HB1 ARG 8 3.989 -5.645 -5.117 533 1HG ARG 8 HG2 ARG 8 3.686 -7.711 -2.950 534 2HG ARG 8 HG1 ARG 8 2.397 -7.125 -4.011 535 1HD ARG 8 HD2 ARG 8 3.656 -7.880 -5.957 536 2HD ARG 8 HD1 ARG 8 4.946 -8.461 -4.902 537 HE ARG 8 HE ARG 8 2.891 -9.855 -3.961 538 1HH1 ARG 8 HH11 ARG 8 3.781 -9.230 -7.301 539 2HH1 ARG 8 HH12 ARG 8 3.154 -10.745 -7.881 540 1HH2 ARG 8 HH21 ARG 8 2.067 -11.851 -4.723 541 2HH2 ARG 8 HH22 ARG 8 2.194 -12.238 -6.417 542 H LYS 9 HN LYS 9 6.240 -5.654 -6.374 543 HA LYS 9 HA LYS 9 8.037 -3.438 -5.911 544 1HB LYS 9 HB2 LYS 9 6.848 -4.376 -8.530 545 2HB LYS 9 HB1 LYS 9 8.271 -3.368 -8.319 546 1HG LYS 9 HG2 LYS 9 8.356 -6.026 -7.041 547 2HG LYS 9 HG1 LYS 9 8.358 -6.002 -8.804 548 1HD LYS 9 HD2 LYS 9 10.628 -6.003 -8.125 549 2HD LYS 9 HD1 LYS 9 10.270 -4.362 -8.662 550 1HE LYS 9 HE2 LYS 9 10.121 -3.586 -6.414 551 2HE LYS 9 HE1 LYS 9 10.191 -5.229 -5.780 552 1HZ LYS 9 HZ1 LYS 9 12.450 -5.408 -6.645 553 2HZ LYS 9 HZ2 LYS 9 12.316 -4.127 -5.544 554 3HZ LYS 9 HZ3 LYS 9 12.377 -3.810 -7.207 555 H VAL 10 HN VAL 10 7.729 -1.317 -6.733 556 HA VAL 10 HA VAL 10 4.979 -0.427 -6.337 557 HB VAL 10 HB VAL 10 7.480 1.248 -6.653 558 1HG1 VAL 10 HG11 VAL 10 4.770 1.920 -5.510 559 2HG1 VAL 10 HG12 VAL 10 5.456 2.530 -7.017 560 3HG1 VAL 10 HG13 VAL 10 6.187 2.973 -5.476 561 1HG2 VAL 10 HG21 VAL 10 7.735 -0.263 -4.781 562 2HG2 VAL 10 HG22 VAL 10 6.159 0.213 -4.151 563 3HG2 VAL 10 HG23 VAL 10 7.479 1.382 -4.199 564 H ASP 11 HN ASP 11 6.326 -1.684 -8.822 565 HA ASP 11 HA ASP 11 5.579 -1.861 -10.946 566 1HB ASP 11 HB2 ASP 11 3.387 -1.170 -9.999 567 2HB ASP 11 HB1 ASP 11 3.815 0.506 -10.285 568 H GLU 12 HN GLU 12 4.777 1.348 -11.599 569 HA GLU 12 HA GLU 12 7.493 2.229 -12.110 570 1HB GLU 12 HB2 GLU 12 6.602 2.858 -14.520 571 2HB GLU 12 HB1 GLU 12 7.345 1.291 -14.195 572 1HG GLU 12 HG2 GLU 12 4.942 0.507 -13.743 573 2HG GLU 12 HG1 GLU 12 4.465 1.992 -14.567 574 H LEU 13 HN LEU 13 4.047 2.884 -12.431 575 HA LEU 13 HA LEU 13 4.552 5.716 -12.543 576 1HB LEU 13 HB2 LEU 13 2.089 4.030 -12.654 577 2HB LEU 13 HB1 LEU 13 1.957 5.758 -12.388 578 HG LEU 13 HG LEU 13 1.645 5.292 -14.729 579 1HD1 LEU 13 HD11 LEU 13 2.823 7.341 -14.166 580 2HD1 LEU 13 HD12 LEU 13 3.398 6.680 -15.698 581 3HD1 LEU 13 HD13 LEU 13 4.365 6.489 -14.235 582 1HD2 LEU 13 HD21 LEU 13 3.353 4.238 -16.100 583 2HD2 LEU 13 HD22 LEU 13 2.813 3.144 -14.827 584 3HD2 LEU 13 HD23 LEU 13 4.369 3.972 -14.677 585 H GLY 14 HN GLY 14 4.341 3.477 -10.085 586 1HA GLY 14 HA2 GLY 14 5.063 4.360 -7.912 587 2HA GLY 14 HA1 GLY 14 3.928 5.686 -8.156 588 H ARG 15 HN ARG 15 2.726 2.806 -9.295 589 HA ARG 15 HA ARG 15 1.015 2.560 -6.968 590 1HB ARG 15 HB2 ARG 15 -0.370 1.158 -8.534 591 2HB ARG 15 HB1 ARG 15 -0.200 2.852 -8.964 592 1HG ARG 15 HG2 ARG 15 1.887 1.735 -10.305 593 2HG ARG 15 HG1 ARG 15 0.677 0.447 -10.368 594 1HD ARG 15 HD2 ARG 15 -0.943 1.975 -11.314 595 2HD ARG 15 HD1 ARG 15 0.208 3.307 -11.180 596 HE ARG 15 HE ARG 15 1.521 1.446 -12.691 597 1HH1 ARG 15 HH11 ARG 15 -1.627 2.974 -12.957 598 2HH1 ARG 15 HH12 ARG 15 -1.640 2.935 -14.691 599 1HH2 ARG 15 HH21 ARG 15 1.487 1.386 -14.976 600 2HH2 ARG 15 HH22 ARG 15 0.116 2.025 -15.835 601 H VAL 16 HN VAL 16 1.394 0.993 -5.519 602 HA VAL 16 HA VAL 16 3.256 -1.130 -6.203 603 HB VAL 16 HB VAL 16 3.191 0.011 -3.912 604 1HG1 VAL 16 HG11 VAL 16 0.826 -0.007 -3.515 605 2HG1 VAL 16 HG12 VAL 16 1.665 -0.908 -2.250 606 3HG1 VAL 16 HG13 VAL 16 0.811 -1.770 -3.534 607 1HG2 VAL 16 HG21 VAL 16 4.474 -2.008 -4.352 608 2HG2 VAL 16 HG22 VAL 16 3.054 -2.997 -4.011 609 3HG2 VAL 16 HG23 VAL 16 3.792 -2.040 -2.726 610 H VAL 17 HN VAL 17 2.653 -3.137 -6.848 611 HA VAL 17 HA VAL 17 -0.153 -3.547 -7.313 612 HB VAL 17 HB VAL 17 2.040 -5.589 -7.685 613 1HG1 VAL 17 HG11 VAL 17 -0.693 -5.341 -8.925 614 2HG1 VAL 17 HG12 VAL 17 -0.206 -6.521 -7.708 615 3HG1 VAL 17 HG13 VAL 17 0.506 -6.572 -9.321 616 1HG2 VAL 17 HG21 VAL 17 1.009 -3.566 -9.672 617 2HG2 VAL 17 HG22 VAL 17 2.143 -4.872 -10.025 618 3HG2 VAL 17 HG23 VAL 17 2.609 -3.571 -8.929 619 H ILE 18 HN ILE 18 -0.987 -3.495 -5.238 620 HA ILE 18 HA ILE 18 -0.130 -5.255 -3.218 621 HB ILE 18 HB ILE 18 -1.234 -3.496 -2.307 622 1HG1 ILE 18 HG12 ILE 18 -3.523 -5.444 -2.429 623 2HG1 ILE 18 HG11 ILE 18 -2.069 -5.731 -1.469 624 1HG2 ILE 18 HG21 ILE 18 -3.444 -3.796 -4.317 625 2HG2 ILE 18 HG22 ILE 18 -2.212 -2.533 -4.280 626 3HG2 ILE 18 HG23 ILE 18 -3.427 -2.621 -3.003 627 1HD1 ILE 18 HD11 ILE 18 -3.889 -4.843 -0.120 628 2HD1 ILE 18 HD12 ILE 18 -3.964 -3.414 -1.150 629 3HD1 ILE 18 HD13 ILE 18 -2.528 -3.721 -0.169 630 HA PRO 19 HA PRO 19 -1.420 -8.898 -5.234 631 1HB PRO 19 HB2 PRO 19 -1.641 -9.934 -2.454 632 2HB PRO 19 HB1 PRO 19 -0.793 -10.620 -3.849 633 1HG PRO 19 HG2 PRO 19 0.564 -9.382 -1.923 634 2HG PRO 19 HG1 PRO 19 1.014 -9.169 -3.626 635 1HD PRO 19 HD2 PRO 19 -0.440 -7.308 -1.796 636 2HD PRO 19 HD1 PRO 19 0.724 -6.945 -3.088 637 H ILE 20 HN ILE 20 -3.268 -9.819 -5.846 638 HA ILE 20 HA ILE 20 -5.742 -8.780 -5.217 639 HB ILE 20 HB ILE 20 -6.731 -10.687 -6.353 640 1HG1 ILE 20 HG12 ILE 20 -4.793 -12.335 -7.284 641 2HG1 ILE 20 HG11 ILE 20 -4.133 -11.967 -5.689 642 1HG2 ILE 20 HG21 ILE 20 -4.171 -9.824 -7.676 643 2HG2 ILE 20 HG22 ILE 20 -5.670 -8.896 -7.636 644 3HG2 ILE 20 HG23 ILE 20 -5.613 -10.444 -8.483 645 1HD1 ILE 20 HD11 ILE 20 -6.097 -12.812 -4.612 646 2HD1 ILE 20 HD12 ILE 20 -5.504 -14.021 -5.756 647 3HD1 ILE 20 HD13 ILE 20 -6.906 -13.033 -6.168 648 H GLU 21 HN GLU 21 -3.951 -11.321 -3.711 649 HA GLU 21 HA GLU 21 -6.038 -12.579 -2.299 650 1HB GLU 21 HB2 GLU 21 -3.428 -12.635 -0.996 651 2HB GLU 21 HB1 GLU 21 -4.409 -13.961 -1.611 652 1HG GLU 21 HG2 GLU 21 -3.578 -13.574 -3.859 653 2HG GLU 21 HG1 GLU 21 -2.647 -12.186 -3.294 654 H LEU 22 HN LEU 22 -3.707 -10.064 -1.457 655 HA LEU 22 HA LEU 22 -4.600 -9.822 1.202 656 1HB LEU 22 HB2 LEU 22 -2.960 -8.084 -0.593 657 2HB LEU 22 HB1 LEU 22 -3.445 -7.524 1.001 658 HG LEU 22 HG LEU 22 -2.450 -9.798 1.790 659 1HD1 LEU 22 HD11 LEU 22 -2.070 -10.722 -0.419 660 2HD1 LEU 22 HD12 LEU 22 -0.553 -10.546 0.461 661 3HD1 LEU 22 HD13 LEU 22 -0.977 -9.390 -0.802 662 1HD2 LEU 22 HD21 LEU 22 -0.299 -8.718 2.149 663 2HD2 LEU 22 HD22 LEU 22 -1.612 -7.565 2.391 664 3HD2 LEU 22 HD23 LEU 22 -0.669 -7.529 0.900 665 H ARG 23 HN ARG 23 -5.362 -7.978 -1.758 666 HA ARG 23 HA ARG 23 -7.154 -6.252 -0.369 667 1HB ARG 23 HB2 ARG 23 -7.873 -5.489 -2.559 668 2HB ARG 23 HB1 ARG 23 -6.123 -5.643 -2.554 669 1HG ARG 23 HG2 ARG 23 -6.510 -6.624 -4.530 670 2HG ARG 23 HG1 ARG 23 -6.827 -8.049 -3.529 671 1HD ARG 23 HD2 ARG 23 -9.206 -7.399 -3.450 672 2HD ARG 23 HD1 ARG 23 -8.856 -6.062 -4.533 673 HE ARG 23 HE ARG 23 -7.992 -8.390 -5.791 674 1HH1 ARG 23 HH11 ARG 23 -10.981 -6.997 -4.634 675 2HH1 ARG 23 HH12 ARG 23 -11.956 -7.724 -5.874 676 1HH2 ARG 23 HH21 ARG 23 -9.271 -9.361 -7.446 677 2HH2 ARG 23 HH22 ARG 23 -10.980 -9.034 -7.489 678 H ARG 24 HN ARG 24 -7.313 -9.431 -1.516 679 HA ARG 24 HA ARG 24 -10.141 -9.786 -1.567 680 1HB ARG 24 HB2 ARG 24 -8.777 -11.367 -2.710 681 2HB ARG 24 HB1 ARG 24 -7.766 -11.615 -1.290 682 1HG ARG 24 HG2 ARG 24 -10.272 -12.286 -0.417 683 2HG ARG 24 HG1 ARG 24 -10.235 -12.907 -2.069 684 1HD ARG 24 HD2 ARG 24 -8.209 -14.132 -1.638 685 2HD ARG 24 HD1 ARG 24 -8.063 -13.409 -0.037 686 HE ARG 24 HE ARG 24 -10.489 -14.704 -0.029 687 1HH1 ARG 24 HH11 ARG 24 -7.161 -15.650 -0.639 688 2HH1 ARG 24 HH12 ARG 24 -7.348 -17.230 0.057 689 1HH2 ARG 24 HH21 ARG 24 -10.744 -16.779 0.844 690 2HH2 ARG 24 HH22 ARG 24 -9.406 -17.885 0.874 691 H THR 25 HN THR 25 -7.610 -9.770 0.798 692 HA THR 25 HA THR 25 -9.116 -11.027 2.874 693 HB THR 25 HB THR 25 -6.666 -9.283 3.163 694 HG1 THR 25 HG1 THR 25 -6.725 -11.388 1.744 695 1HG2 THR 25 HG21 THR 25 -7.817 -11.449 4.929 696 2HG2 THR 25 HG22 THR 25 -7.808 -9.719 5.268 697 3HG2 THR 25 HG23 THR 25 -6.288 -10.612 5.203 698 H LEU 26 HN LEU 26 -8.340 -7.674 2.016 699 HA LEU 26 HA LEU 26 -9.818 -6.722 4.334 700 1HB LEU 26 HB2 LEU 26 -8.578 -5.025 2.188 701 2HB LEU 26 HB1 LEU 26 -9.090 -4.525 3.782 702 HG LEU 26 HG LEU 26 -6.882 -4.614 4.172 703 1HD1 LEU 26 HD11 LEU 26 -7.792 -6.287 5.666 704 2HD1 LEU 26 HD12 LEU 26 -6.136 -6.673 5.202 705 3HD1 LEU 26 HD13 LEU 26 -7.482 -7.541 4.462 706 1HD2 LEU 26 HD21 LEU 26 -5.306 -6.122 3.005 707 2HD2 LEU 26 HD22 LEU 26 -6.191 -5.015 1.956 708 3HD2 LEU 26 HD23 LEU 26 -6.668 -6.709 2.049 709 H GLY 27 HN GLY 27 -10.714 -7.736 1.351 710 1HA GLY 27 HA2 GLY 27 -12.732 -7.587 0.255 711 2HA GLY 27 HA1 GLY 27 -13.318 -6.618 1.599 712 H ILE 28 HN ILE 28 -10.537 -5.837 -0.365 713 HA ILE 28 HA ILE 28 -11.918 -3.434 -1.331 714 HB ILE 28 HB ILE 28 -9.203 -3.399 -2.131 715 1HG1 ILE 28 HG12 ILE 28 -9.423 -3.902 0.833 716 2HG1 ILE 28 HG11 ILE 28 -8.943 -5.146 -0.319 717 1HG2 ILE 28 HG21 ILE 28 -10.559 -1.454 -1.661 718 2HG2 ILE 28 HG22 ILE 28 -9.096 -1.435 -0.675 719 3HG2 ILE 28 HG23 ILE 28 -10.640 -1.893 0.046 720 1HD1 ILE 28 HD11 ILE 28 -7.075 -3.702 -1.025 721 2HD1 ILE 28 HD12 ILE 28 -6.988 -4.188 0.670 722 3HD1 ILE 28 HD13 ILE 28 -7.519 -2.560 0.244 723 H ALA 29 HN ALA 29 -10.800 -2.751 -3.537 724 HA ALA 29 HA ALA 29 -10.421 -4.961 -5.381 725 1HB ALA 29 HB1 ALA 29 -12.675 -2.983 -5.767 726 2HB ALA 29 HB2 ALA 29 -12.871 -4.684 -5.346 727 3HB ALA 29 HB3 ALA 29 -12.185 -4.235 -6.908 728 H GLU 30 HN GLU 30 -10.156 -3.929 -7.671 729 HA GLU 30 HA GLU 30 -7.929 -2.154 -7.320 730 1HB GLU 30 HB2 GLU 30 -7.763 -2.427 -9.834 731 2HB GLU 30 HB1 GLU 30 -7.723 -3.935 -8.920 732 1HG GLU 30 HG2 GLU 30 -10.356 -2.961 -9.822 733 2HG GLU 30 HG1 GLU 30 -9.271 -3.612 -11.058 734 H LYS 31 HN LYS 31 -11.224 -1.878 -8.144 735 HA LYS 31 HA LYS 31 -10.905 0.832 -9.153 736 1HB LYS 31 HB2 LYS 31 -13.508 -0.574 -8.633 737 2HB LYS 31 HB1 LYS 31 -13.171 0.727 -9.768 738 1HG LYS 31 HG2 LYS 31 -11.846 -1.922 -10.090 739 2HG LYS 31 HG1 LYS 31 -13.506 -1.688 -10.638 740 1HD LYS 31 HD2 LYS 31 -12.160 -1.280 -12.525 741 2HD LYS 31 HD1 LYS 31 -12.625 0.316 -11.934 742 1HE LYS 31 HE2 LYS 31 -10.485 0.636 -10.915 743 2HE LYS 31 HE1 LYS 31 -10.024 -1.036 -11.245 744 1HZ LYS 31 HZ1 LYS 31 -9.064 0.620 -12.803 745 2HZ LYS 31 HZ2 LYS 31 -10.627 0.955 -13.365 746 3HZ LYS 31 HZ3 LYS 31 -9.968 -0.594 -13.565 747 H ASP 32 HN ASP 32 -10.853 -0.634 -6.278 748 HA ASP 32 HA ASP 32 -12.567 1.140 -4.807 749 1HB ASP 32 HB2 ASP 32 -11.745 -1.383 -4.312 750 2HB ASP 32 HB1 ASP 32 -10.609 -0.461 -3.334 751 H ALA 33 HN ALA 33 -11.404 1.914 -2.678 752 HA ALA 33 HA ALA 33 -8.928 3.288 -3.481 753 1HB ALA 33 HB1 ALA 33 -11.188 4.542 -1.904 754 2HB ALA 33 HB2 ALA 33 -10.812 4.879 -3.594 755 3HB ALA 33 HB3 ALA 33 -9.656 5.314 -2.332 756 H LEU 34 HN LEU 34 -7.630 3.905 -1.666 757 HA LEU 34 HA LEU 34 -8.106 2.290 0.732 758 1HB LEU 34 HB2 LEU 34 -5.632 2.438 -0.982 759 2HB LEU 34 HB1 LEU 34 -5.587 1.897 0.686 760 HG LEU 34 HG LEU 34 -7.419 0.576 -1.318 761 1HD1 LEU 34 HD11 LEU 34 -4.531 -0.115 -0.714 762 2HD1 LEU 34 HD12 LEU 34 -5.165 0.465 -2.255 763 3HD1 LEU 34 HD13 LEU 34 -5.655 -1.112 -1.638 764 1HD2 LEU 34 HD21 LEU 34 -7.779 0.187 1.082 765 2HD2 LEU 34 HD22 LEU 34 -6.099 -0.340 1.251 766 3HD2 LEU 34 HD23 LEU 34 -7.228 -1.276 0.263 767 H GLU 35 HN GLU 35 -7.821 3.425 2.503 768 HA GLU 35 HA GLU 35 -7.012 6.186 2.243 769 1HB GLU 35 HB2 GLU 35 -9.125 5.401 3.408 770 2HB GLU 35 HB1 GLU 35 -8.076 4.772 4.681 771 1HG GLU 35 HG2 GLU 35 -7.165 7.029 4.993 772 2HG GLU 35 HG1 GLU 35 -8.289 7.614 3.766 773 H ILE 36 HN ILE 36 -4.877 6.256 2.137 774 HA ILE 36 HA ILE 36 -3.264 4.446 3.748 775 HB ILE 36 HB ILE 36 -2.510 6.424 1.616 776 1HG1 ILE 36 HG12 ILE 36 -1.931 3.779 0.848 777 2HG1 ILE 36 HG11 ILE 36 -3.552 3.749 1.540 778 1HG2 ILE 36 HG21 ILE 36 -0.591 6.214 2.956 779 2HG2 ILE 36 HG22 ILE 36 -0.342 5.072 1.633 780 3HG2 ILE 36 HG23 ILE 36 -0.865 4.493 3.217 781 1HD1 ILE 36 HD11 ILE 36 -4.208 5.563 0.029 782 2HD1 ILE 36 HD12 ILE 36 -3.675 4.118 -0.833 783 3HD1 ILE 36 HD13 ILE 36 -2.603 5.513 -0.702 784 H TYR 37 HN TYR 37 -2.005 4.939 5.339 785 HA TYR 37 HA TYR 37 -1.455 7.733 6.101 786 1HB TYR 37 HB2 TYR 37 -2.225 5.464 7.967 787 2HB TYR 37 HB1 TYR 37 -1.631 7.040 8.483 788 HD1 TYR 37 HD1 TYR 37 -4.415 5.529 6.491 789 HD2 TYR 37 HD2 TYR 37 -3.139 8.672 9.061 790 HE1 TYR 37 HE1 TYR 37 -6.718 6.373 6.596 791 HE2 TYR 37 HE2 TYR 37 -5.443 9.527 9.165 792 HH TYR 37 HH TYR 37 -8.125 7.744 7.754 793 H VAL 38 HN VAL 38 0.346 7.472 7.985 794 HA VAL 38 HA VAL 38 2.061 5.174 7.553 795 HB VAL 38 HB VAL 38 2.907 7.964 6.853 796 1HG1 VAL 38 HG11 VAL 38 4.628 5.784 7.968 797 2HG1 VAL 38 HG12 VAL 38 4.596 7.502 8.388 798 3HG1 VAL 38 HG13 VAL 38 5.284 6.985 6.847 799 1HG2 VAL 38 HG21 VAL 38 3.370 5.298 5.550 800 2HG2 VAL 38 HG22 VAL 38 3.980 6.841 4.954 801 3HG2 VAL 38 HG23 VAL 38 2.242 6.545 5.018 802 H ASP 39 HN ASP 39 3.048 4.567 9.336 803 HA ASP 39 HA ASP 39 2.815 6.287 11.701 804 1HB ASP 39 HB2 ASP 39 1.768 4.036 11.871 805 2HB ASP 39 HB1 ASP 39 3.343 3.311 11.569 806 H ASP 40 HN ASP 40 4.531 7.560 11.463 807 HA ASP 40 HA ASP 40 6.649 8.296 11.630 808 1HB ASP 40 HB2 ASP 40 6.721 6.862 13.626 809 2HB ASP 40 HB1 ASP 40 7.216 5.499 12.619 810 H GLU 41 HN GLU 41 7.095 4.924 10.687 811 HA GLU 41 HA GLU 41 8.838 5.812 8.489 812 1HB GLU 41 HB2 GLU 41 10.166 3.743 9.031 813 2HB GLU 41 HB1 GLU 41 10.210 4.989 10.276 814 1HG GLU 41 HG2 GLU 41 8.522 3.794 11.563 815 2HG GLU 41 HG1 GLU 41 8.432 2.559 10.303 816 H LYS 42 HN LYS 42 5.950 4.274 9.151 817 HA LYS 42 HA LYS 42 6.323 2.494 6.864 818 1HB LYS 42 HB2 LYS 42 5.408 0.607 7.955 819 2HB LYS 42 HB1 LYS 42 6.560 1.296 9.092 820 1HG LYS 42 HG2 LYS 42 4.654 2.475 10.183 821 2HG LYS 42 HG1 LYS 42 3.568 1.561 9.136 822 1HD LYS 42 HD2 LYS 42 4.649 -0.530 10.072 823 2HD LYS 42 HD1 LYS 42 5.406 0.518 11.279 824 1HE LYS 42 HE2 LYS 42 3.070 1.378 11.768 825 2HE LYS 42 HE1 LYS 42 2.481 0.017 10.814 826 1HZ LYS 42 HZ1 LYS 42 2.471 -0.601 13.098 827 2HZ LYS 42 HZ2 LYS 42 4.072 -0.093 13.318 828 3HZ LYS 42 HZ3 LYS 42 3.738 -1.455 12.359 829 H ILE 43 HN ILE 43 4.496 1.756 5.792 830 HA ILE 43 HA ILE 43 2.536 3.902 5.590 831 HB ILE 43 HB ILE 43 3.006 1.542 3.767 832 1HG1 ILE 43 HG12 ILE 43 4.113 4.324 3.404 833 2HG1 ILE 43 HG11 ILE 43 5.030 3.034 4.178 834 1HG2 ILE 43 HG21 ILE 43 1.805 4.214 3.111 835 2HG2 ILE 43 HG22 ILE 43 0.851 2.811 3.595 836 3HG2 ILE 43 HG23 ILE 43 1.828 2.749 2.120 837 1HD1 ILE 43 HD11 ILE 43 3.969 3.018 1.362 838 2HD1 ILE 43 HD12 ILE 43 4.864 1.708 2.133 839 3HD1 ILE 43 HD13 ILE 43 5.644 3.264 1.851 840 H ILE 44 HN ILE 44 0.341 3.604 5.799 841 HA ILE 44 HA ILE 44 -0.559 0.956 6.748 842 HB ILE 44 HB ILE 44 -2.117 3.202 7.797 843 1HG1 ILE 44 HG12 ILE 44 0.187 4.195 7.890 844 2HG1 ILE 44 HG11 ILE 44 -0.583 4.005 9.459 845 1HG2 ILE 44 HG21 ILE 44 -1.969 1.884 9.869 846 2HG2 ILE 44 HG22 ILE 44 -0.798 0.817 9.090 847 3HG2 ILE 44 HG23 ILE 44 -2.451 0.904 8.484 848 1HD1 ILE 44 HD11 ILE 44 1.350 1.982 8.392 849 2HD1 ILE 44 HD12 ILE 44 0.843 2.256 10.063 850 3HD1 ILE 44 HD13 ILE 44 1.877 3.433 9.242 851 H LEU 45 HN LEU 45 -1.789 0.239 5.091 852 HA LEU 45 HA LEU 45 -3.539 2.147 3.715 853 1HB LEU 45 HB2 LEU 45 -2.456 -0.562 3.031 854 2HB LEU 45 HB1 LEU 45 -3.978 -0.051 2.307 855 HG LEU 45 HG LEU 45 -2.812 1.949 1.385 856 1HD1 LEU 45 HD11 LEU 45 -0.972 2.057 2.994 857 2HD1 LEU 45 HD12 LEU 45 -0.381 1.976 1.333 858 3HD1 LEU 45 HD13 LEU 45 -0.332 0.543 2.359 859 1HD2 LEU 45 HD21 LEU 45 -1.698 -0.747 0.629 860 2HD2 LEU 45 HD22 LEU 45 -1.614 0.708 -0.363 861 3HD2 LEU 45 HD23 LEU 45 -3.179 -0.012 0.013 862 H LYS 46 HN LYS 46 -5.398 2.386 4.809 863 HA LYS 46 HA LYS 46 -6.894 -0.063 5.513 864 1HB LYS 46 HB2 LYS 46 -7.525 2.855 6.065 865 2HB LYS 46 HB1 LYS 46 -8.513 1.491 6.567 866 1HG LYS 46 HG2 LYS 46 -6.602 0.690 7.930 867 2HG LYS 46 HG1 LYS 46 -5.749 2.180 7.512 868 1HD LYS 46 HD2 LYS 46 -8.406 2.016 8.925 869 2HD LYS 46 HD1 LYS 46 -6.852 2.348 9.697 870 1HE LYS 46 HE2 LYS 46 -7.497 4.497 9.400 871 2HE LYS 46 HE1 LYS 46 -6.822 4.229 7.792 872 1HZ LYS 46 HZ1 LYS 46 -9.164 3.535 7.146 873 2HZ LYS 46 HZ2 LYS 46 -8.911 5.186 7.429 874 3HZ LYS 46 HZ3 LYS 46 -9.671 4.232 8.604 875 H LYS 47 HN LYS 47 -8.986 -0.340 4.617 876 HA LYS 47 HA LYS 47 -9.112 0.579 1.907 877 1HB LYS 47 HB2 LYS 47 -10.632 -1.077 1.614 878 2HB LYS 47 HB1 LYS 47 -10.051 -1.608 3.188 879 1HG LYS 47 HG2 LYS 47 -11.973 -1.015 4.245 880 2HG LYS 47 HG1 LYS 47 -12.311 0.310 3.124 881 1HD LYS 47 HD2 LYS 47 -12.535 -2.619 2.461 882 2HD LYS 47 HD1 LYS 47 -13.896 -1.561 2.856 883 1HE LYS 47 HE2 LYS 47 -13.314 -0.132 0.953 884 2HE LYS 47 HE1 LYS 47 -11.978 -1.209 0.557 885 1HZ LYS 47 HZ1 LYS 47 -14.871 -1.901 0.494 886 2HZ LYS 47 HZ2 LYS 47 -13.607 -2.988 0.190 887 3HZ LYS 47 HZ3 LYS 47 -13.855 -1.670 -0.849 888 H TYR 48 HN TYR 48 -10.466 2.100 1.036 889 HA TYR 48 HA TYR 48 -11.078 4.296 2.664 890 1HB TYR 48 HB2 TYR 48 -10.626 4.703 0.388 891 2HB TYR 48 HB1 TYR 48 -11.841 3.553 -0.151 892 HD1 TYR 48 HD1 TYR 48 -11.617 6.746 1.810 893 HD2 TYR 48 HD2 TYR 48 -13.812 4.395 -0.976 894 HE1 TYR 48 HE1 TYR 48 -13.219 8.592 1.521 895 HE2 TYR 48 HE2 TYR 48 -15.418 6.231 -1.270 896 HH TYR 48 HH TYR 48 -16.203 8.179 -0.168 897 H LYS 49 HN LYS 49 -13.026 5.160 3.313 898 HA LYS 49 HA LYS 49 -14.839 3.286 4.402 899 1HB LYS 49 HB2 LYS 49 -14.335 5.497 5.408 900 2HB LYS 49 HB1 LYS 49 -15.136 6.275 4.050 901 1HG LYS 49 HG2 LYS 49 -16.616 6.269 5.926 902 2HG LYS 49 HG1 LYS 49 -17.247 5.163 4.705 903 1HD LYS 49 HD2 LYS 49 -17.476 4.136 6.861 904 2HD LYS 49 HD1 LYS 49 -16.204 3.291 5.978 905 1HE LYS 49 HE2 LYS 49 -14.499 4.410 7.207 906 2HE LYS 49 HE1 LYS 49 -15.671 5.499 7.948 907 1HZ LYS 49 HZ1 LYS 49 -15.010 3.766 9.478 908 2HZ LYS 49 HZ2 LYS 49 -15.502 2.563 8.391 909 3HZ LYS 49 HZ3 LYS 49 -16.652 3.597 9.085 910 HA PRO 50 HA PRO 50 -17.135 2.900 0.629 911 1HB PRO 50 HB2 PRO 50 -18.706 0.860 1.343 912 2HB PRO 50 HB1 PRO 50 -16.963 0.636 1.122 913 1HG PRO 50 HG2 PRO 50 -18.530 0.965 3.648 914 2HG PRO 50 HG1 PRO 50 -17.198 -0.152 3.290 915 1HD PRO 50 HD2 PRO 50 -16.908 2.228 4.640 916 2HD PRO 50 HD1 PRO 50 -15.612 1.423 3.747 917 H ASN 51 HN ASN 51 -17.931 4.786 2.821 918 HA ASN 51 HA ASN 51 -20.746 4.666 3.074 919 1HB ASN 51 HB2 ASN 51 -19.451 5.841 4.731 920 2HB ASN 51 HB1 ASN 51 -18.812 6.940 3.514 921 1HD2 ASN 51 HD21 ASN 51 -19.593 8.775 4.487 922 2HD2 ASN 51 HD22 ASN 51 -21.278 9.174 4.533 923 H MET 52 HN MET 52 -21.882 4.691 1.246 924 HA MET 52 HA MET 52 -21.325 6.822 -0.691 925 1HB MET 52 HB2 MET 52 -22.676 5.339 -2.272 926 2HB MET 52 HB1 MET 52 -21.076 4.768 -1.820 927 1HG MET 52 HG2 MET 52 -22.195 3.360 -0.064 928 2HG MET 52 HG1 MET 52 -23.732 3.797 -0.810 929 1HE MET 52 HE1 MET 52 -23.219 0.079 -1.921 930 2HE MET 52 HE2 MET 52 -24.279 1.225 -1.100 931 3HE MET 52 HE3 MET 52 -22.727 0.790 -0.385 932 H THR 53 HN THR 53 -22.625 8.475 -0.450 933 HA THR 53 HA THR 53 -25.090 8.267 0.981 934 HB THR 53 HB THR 53 -23.742 10.236 1.295 935 HG1 THR 53 HG1 THR 53 -26.327 10.384 0.318 936 1HG2 THR 53 HG21 THR 53 -22.676 10.372 -0.892 937 2HG2 THR 53 HG22 THR 53 -23.444 11.908 -0.486 938 3HG2 THR 53 HG23 THR 53 -24.213 10.807 -1.633 Start of MODEL 2 1 1H MET 1 HT1 MET 1 3.747 13.840 5.437 2 2H MET 1 HT2 MET 1 4.541 15.322 5.244 3 3H MET 1 HT3 MET 1 4.087 14.799 6.790 4 HA MET 1 HA MET 1 6.050 13.439 5.041 5 1HB MET 1 HB2 MET 1 6.710 15.716 5.976 6 2HB MET 1 HB1 MET 1 6.615 14.989 7.574 7 1HG MET 1 HG2 MET 1 8.372 13.445 7.036 8 2HG MET 1 HG1 MET 1 8.399 13.996 5.363 9 1HE MET 1 HE1 MET 1 9.128 14.941 9.098 10 2HE MET 1 HE2 MET 1 8.010 16.209 8.596 11 3HE MET 1 HE3 MET 1 9.692 16.605 8.945 12 H LYS 2 HN LYS 2 3.621 12.712 6.811 13 HA LYS 2 HA LYS 2 4.875 10.322 7.895 14 1HB LYS 2 HB2 LYS 2 4.738 11.935 9.773 15 2HB LYS 2 HB1 LYS 2 3.008 12.076 9.514 16 1HG LYS 2 HG2 LYS 2 3.287 9.388 9.837 17 2HG LYS 2 HG1 LYS 2 4.555 10.006 10.900 18 1HD LYS 2 HD2 LYS 2 3.059 11.103 12.272 19 2HD LYS 2 HD1 LYS 2 1.842 11.247 10.997 20 1HE LYS 2 HE2 LYS 2 1.006 9.662 12.541 21 2HE LYS 2 HE1 LYS 2 1.561 8.755 11.134 22 1HZ LYS 2 HZ1 LYS 2 2.359 7.554 12.941 23 2HZ LYS 2 HZ2 LYS 2 2.775 8.937 13.824 24 3HZ LYS 2 HZ3 LYS 2 3.709 8.480 12.491 25 H SER 3 HN SER 3 2.004 9.992 9.175 26 HA SER 3 HA SER 3 0.646 8.803 7.030 27 1HB SER 3 HB2 SER 3 -1.291 8.896 8.586 28 2HB SER 3 HB1 SER 3 0.180 8.344 9.396 29 HG SER 3 HG SER 3 -0.425 11.080 9.417 30 H THR 4 HN THR 4 -0.481 9.596 5.470 31 HA THR 4 HA THR 4 -0.891 12.462 5.405 32 HB THR 4 HB THR 4 -1.488 11.945 2.979 33 HG1 THR 4 HG1 THR 4 -1.823 9.643 3.438 34 1HG2 THR 4 HG21 THR 4 0.692 12.834 3.715 35 2HG2 THR 4 HG22 THR 4 0.850 11.751 2.332 36 3HG2 THR 4 HG23 THR 4 1.265 11.183 3.951 37 H GLY 5 HN GLY 5 -2.637 9.443 5.522 38 1HA GLY 5 HA2 GLY 5 -4.882 8.979 5.735 39 2HA GLY 5 HA1 GLY 5 -5.148 10.696 6.049 40 H ILE 6 HN ILE 6 -3.597 9.250 3.296 41 HA ILE 6 HA ILE 6 -5.358 10.819 1.554 42 HB ILE 6 HB ILE 6 -2.471 10.398 1.724 43 1HG1 ILE 6 HG12 ILE 6 -2.461 12.455 0.323 44 2HG1 ILE 6 HG11 ILE 6 -4.204 12.314 0.125 45 1HG2 ILE 6 HG21 ILE 6 -2.803 8.844 -0.126 46 2HG2 ILE 6 HG22 ILE 6 -2.015 10.315 -0.695 47 3HG2 ILE 6 HG23 ILE 6 -3.730 10.054 -1.013 48 1HD1 ILE 6 HD11 ILE 6 -2.769 12.717 2.736 49 2HD1 ILE 6 HD12 ILE 6 -4.517 12.637 2.505 50 3HD1 ILE 6 HD13 ILE 6 -3.593 13.967 1.806 51 H VAL 7 HN VAL 7 -6.729 9.715 0.258 52 HA VAL 7 HA VAL 7 -6.367 6.824 0.151 53 HB VAL 7 HB VAL 7 -8.577 6.558 -0.325 54 1HG1 VAL 7 HG11 VAL 7 -9.937 8.257 0.906 55 2HG1 VAL 7 HG12 VAL 7 -8.452 9.188 1.108 56 3HG1 VAL 7 HG13 VAL 7 -8.580 7.568 1.794 57 1HG2 VAL 7 HG21 VAL 7 -10.036 8.360 -1.350 58 2HG2 VAL 7 HG22 VAL 7 -8.828 7.619 -2.399 59 3HG2 VAL 7 HG23 VAL 7 -8.537 9.222 -1.711 60 H ARG 8 HN ARG 8 -6.215 5.646 -1.707 61 HA ARG 8 HA ARG 8 -5.993 7.055 -4.268 62 1HB ARG 8 HB2 ARG 8 -3.953 5.127 -3.140 63 2HB ARG 8 HB1 ARG 8 -4.010 5.627 -4.826 64 1HG ARG 8 HG2 ARG 8 -3.678 7.533 -2.525 65 2HG ARG 8 HG1 ARG 8 -2.344 6.854 -3.463 66 1HD ARG 8 HD2 ARG 8 -3.302 7.814 -5.497 67 2HD ARG 8 HD1 ARG 8 -4.612 8.513 -4.551 68 HE ARG 8 HE ARG 8 -2.595 9.640 -3.332 69 1HH1 ARG 8 HH11 ARG 8 -2.953 9.055 -6.764 70 2HH1 ARG 8 HH12 ARG 8 -2.048 10.467 -7.225 71 1HH2 ARG 8 HH21 ARG 8 -1.364 11.483 -3.932 72 2HH2 ARG 8 HH22 ARG 8 -1.110 11.817 -5.626 73 H LYS 9 HN LYS 9 -6.363 5.743 -6.083 74 HA LYS 9 HA LYS 9 -8.191 3.549 -5.608 75 1HB LYS 9 HB2 LYS 9 -7.036 4.500 -8.243 76 2HB LYS 9 HB1 LYS 9 -8.483 3.532 -8.010 77 1HG LYS 9 HG2 LYS 9 -8.542 6.101 -6.623 78 2HG LYS 9 HG1 LYS 9 -8.423 6.227 -8.378 79 1HD LYS 9 HD2 LYS 9 -10.732 6.215 -7.870 80 2HD LYS 9 HD1 LYS 9 -10.354 4.616 -8.508 81 1HE LYS 9 HE2 LYS 9 -10.375 3.659 -6.323 82 2HE LYS 9 HE1 LYS 9 -10.490 5.251 -5.568 83 1HZ LYS 9 HZ1 LYS 9 -12.554 4.018 -7.316 84 2HZ LYS 9 HZ2 LYS 9 -12.659 5.540 -6.578 85 3HZ LYS 9 HZ3 LYS 9 -12.639 4.137 -5.626 86 H VAL 10 HN VAL 10 -7.911 1.415 -6.409 87 HA VAL 10 HA VAL 10 -5.119 0.567 -6.185 88 HB VAL 10 HB VAL 10 -7.617 -1.136 -6.119 89 1HG1 VAL 10 HG11 VAL 10 -4.794 -1.741 -5.244 90 2HG1 VAL 10 HG12 VAL 10 -5.621 -2.422 -6.645 91 3HG1 VAL 10 HG13 VAL 10 -6.190 -2.795 -5.019 92 1HG2 VAL 10 HG21 VAL 10 -7.632 0.507 -4.325 93 2HG2 VAL 10 HG22 VAL 10 -6.009 0.011 -3.843 94 3HG2 VAL 10 HG23 VAL 10 -7.357 -1.116 -3.693 95 H ASP 11 HN ASP 11 -6.692 1.648 -8.624 96 HA ASP 11 HA ASP 11 -6.396 1.548 -10.856 97 1HB ASP 11 HB2 ASP 11 -4.020 0.989 -10.103 98 2HB ASP 11 HB1 ASP 11 -4.434 -0.700 -10.355 99 H GLU 12 HN GLU 12 -5.715 -0.968 -12.246 100 HA GLU 12 HA GLU 12 -8.210 -2.497 -11.825 101 1HB GLU 12 HB2 GLU 12 -7.314 -3.029 -14.426 102 2HB GLU 12 HB1 GLU 12 -8.708 -2.050 -13.980 103 1HG GLU 12 HG2 GLU 12 -6.065 -0.732 -13.954 104 2HG GLU 12 HG1 GLU 12 -6.730 -1.172 -15.528 105 H LEU 13 HN LEU 13 -4.864 -2.478 -12.838 106 HA LEU 13 HA LEU 13 -4.618 -5.314 -13.002 107 1HB LEU 13 HB2 LEU 13 -2.611 -3.074 -12.939 108 2HB LEU 13 HB1 LEU 13 -2.125 -4.755 -13.015 109 HG LEU 13 HG LEU 13 -2.053 -3.819 -15.228 110 1HD1 LEU 13 HD11 LEU 13 -3.563 -5.331 -16.411 111 2HD1 LEU 13 HD12 LEU 13 -4.435 -5.630 -14.909 112 3HD1 LEU 13 HD13 LEU 13 -2.751 -6.130 -15.065 113 1HD2 LEU 13 HD21 LEU 13 -4.010 -2.914 -16.349 114 2HD2 LEU 13 HD22 LEU 13 -3.630 -1.973 -14.907 115 3HD2 LEU 13 HD23 LEU 13 -4.974 -3.122 -14.882 116 H GLY 14 HN GLY 14 -4.702 -3.164 -10.381 117 1HA GLY 14 HA2 GLY 14 -5.112 -4.137 -8.221 118 2HA GLY 14 HA1 GLY 14 -4.001 -5.435 -8.633 119 H ARG 15 HN ARG 15 -2.865 -2.471 -9.626 120 HA ARG 15 HA ARG 15 -1.153 -2.349 -7.287 121 1HB ARG 15 HB2 ARG 15 0.327 -0.970 -8.786 122 2HB ARG 15 HB1 ARG 15 0.136 -2.656 -9.221 123 1HG ARG 15 HG2 ARG 15 -1.737 -1.739 -10.784 124 2HG ARG 15 HG1 ARG 15 -0.836 -0.221 -10.599 125 1HD ARG 15 HD2 ARG 15 0.183 -1.175 -12.443 126 2HD ARG 15 HD1 ARG 15 1.235 -1.661 -11.115 127 HE ARG 15 HE ARG 15 -0.646 -3.675 -11.460 128 1HH1 ARG 15 HH11 ARG 15 2.074 -2.259 -13.160 129 2HH1 ARG 15 HH12 ARG 15 2.367 -3.683 -14.123 130 1HH2 ARG 15 HH21 ARG 15 -0.224 -5.569 -12.696 131 2HH2 ARG 15 HH22 ARG 15 1.079 -5.553 -13.849 132 H VAL 16 HN VAL 16 -1.485 -0.849 -5.834 133 HA VAL 16 HA VAL 16 -3.365 1.300 -6.362 134 HB VAL 16 HB VAL 16 -3.298 0.013 -4.169 135 1HG1 VAL 16 HG11 VAL 16 -0.939 -0.085 -3.780 136 2HG1 VAL 16 HG12 VAL 16 -1.734 0.759 -2.450 137 3HG1 VAL 16 HG13 VAL 16 -0.855 1.674 -3.676 138 1HG2 VAL 16 HG21 VAL 16 -3.845 1.945 -2.807 139 2HG2 VAL 16 HG22 VAL 16 -4.510 2.118 -4.433 140 3HG2 VAL 16 HG23 VAL 16 -3.053 3.002 -3.978 141 H VAL 17 HN VAL 17 -2.818 3.391 -6.768 142 HA VAL 17 HA VAL 17 -0.046 3.854 -7.368 143 HB VAL 17 HB VAL 17 -2.145 6.001 -7.382 144 1HG1 VAL 17 HG11 VAL 17 0.157 6.686 -7.770 145 2HG1 VAL 17 HG12 VAL 17 -0.815 6.888 -9.228 146 3HG1 VAL 17 HG13 VAL 17 0.291 5.521 -9.090 147 1HG2 VAL 17 HG21 VAL 17 -2.707 5.371 -9.690 148 2HG2 VAL 17 HG22 VAL 17 -3.146 4.115 -8.534 149 3HG2 VAL 17 HG23 VAL 17 -1.703 3.928 -9.531 150 H ILE 18 HN ILE 18 0.911 3.635 -5.362 151 HA ILE 18 HA ILE 18 0.171 5.192 -3.146 152 HB ILE 18 HB ILE 18 1.328 3.335 -2.516 153 1HG1 ILE 18 HG12 ILE 18 3.628 5.272 -2.512 154 2HG1 ILE 18 HG11 ILE 18 2.208 5.498 -1.485 155 1HG2 ILE 18 HG21 ILE 18 3.483 2.585 -3.417 156 2HG2 ILE 18 HG22 ILE 18 3.427 3.914 -4.574 157 3HG2 ILE 18 HG23 ILE 18 2.209 2.640 -4.635 158 1HD1 ILE 18 HD11 ILE 18 2.653 3.395 -0.367 159 2HD1 ILE 18 HD12 ILE 18 4.078 4.436 -0.310 160 3HD1 ILE 18 HD13 ILE 18 4.016 3.091 -1.450 161 HA PRO 19 HA PRO 19 1.542 9.032 -4.770 162 1HB PRO 19 HB2 PRO 19 1.810 9.719 -1.889 163 2HB PRO 19 HB1 PRO 19 0.964 10.588 -3.178 164 1HG PRO 19 HG2 PRO 19 -0.417 9.174 -1.404 165 2HG PRO 19 HG1 PRO 19 -0.867 9.125 -3.120 166 1HD PRO 19 HD2 PRO 19 0.623 7.105 -1.495 167 2HD PRO 19 HD1 PRO 19 -0.610 6.858 -2.752 168 H ILE 20 HN ILE 20 3.424 10.029 -5.219 169 HA ILE 20 HA ILE 20 5.876 8.824 -4.608 170 HB ILE 20 HB ILE 20 6.949 10.798 -5.555 171 1HG1 ILE 20 HG12 ILE 20 5.043 12.500 -6.483 172 2HG1 ILE 20 HG11 ILE 20 4.334 12.044 -4.932 173 1HG2 ILE 20 HG21 ILE 20 5.921 10.727 -7.758 174 2HG2 ILE 20 HG22 ILE 20 4.473 9.997 -7.064 175 3HG2 ILE 20 HG23 ILE 20 6.003 9.120 -7.034 176 1HD1 ILE 20 HD11 ILE 20 6.264 12.827 -3.751 177 2HD1 ILE 20 HD12 ILE 20 5.708 14.100 -4.844 178 3HD1 ILE 20 HD13 ILE 20 7.120 13.130 -5.265 179 H GLU 21 HN GLU 21 3.995 11.183 -2.990 180 HA GLU 21 HA GLU 21 5.991 12.459 -1.472 181 1HB GLU 21 HB2 GLU 21 3.301 12.241 -0.281 182 2HB GLU 21 HB1 GLU 21 4.260 13.672 -0.638 183 1HG GLU 21 HG2 GLU 21 3.643 13.471 -3.019 184 2HG GLU 21 HG1 GLU 21 2.640 12.076 -2.621 185 H LEU 22 HN LEU 22 3.803 9.769 -0.798 186 HA LEU 22 HA LEU 22 4.745 9.395 1.839 187 1HB LEU 22 HB2 LEU 22 3.150 7.715 -0.051 188 2HB LEU 22 HB1 LEU 22 3.668 7.081 1.506 189 HG LEU 22 HG LEU 22 2.587 9.303 2.398 190 1HD1 LEU 22 HD11 LEU 22 2.067 10.249 0.239 191 2HD1 LEU 22 HD12 LEU 22 0.583 9.910 1.132 192 3HD1 LEU 22 HD13 LEU 22 1.094 8.836 -0.172 193 1HD2 LEU 22 HD21 LEU 22 1.003 6.895 1.532 194 2HD2 LEU 22 HD22 LEU 22 0.500 8.068 2.749 195 3HD2 LEU 22 HD23 LEU 22 1.920 7.059 3.028 196 H ARG 23 HN ARG 23 5.522 7.857 -1.269 197 HA ARG 23 HA ARG 23 7.425 6.107 -0.054 198 1HB ARG 23 HB2 ARG 23 8.058 5.469 -2.298 199 2HB ARG 23 HB1 ARG 23 6.313 5.553 -2.188 200 1HG ARG 23 HG2 ARG 23 6.707 6.499 -4.236 201 2HG ARG 23 HG1 ARG 23 6.631 7.929 -3.202 202 1HD ARG 23 HD2 ARG 23 8.882 8.326 -3.351 203 2HD ARG 23 HD1 ARG 23 9.274 6.630 -3.610 204 HE ARG 23 HE ARG 23 7.917 7.395 -5.867 205 1HH1 ARG 23 HH11 ARG 23 10.779 8.476 -4.181 206 2HH1 ARG 23 HH12 ARG 23 11.614 8.978 -5.621 207 1HH2 ARG 23 HH21 ARG 23 9.020 8.015 -7.792 208 2HH2 ARG 23 HH22 ARG 23 10.605 8.722 -7.675 209 H ARG 24 HN ARG 24 7.387 9.353 -0.779 210 HA ARG 24 HA ARG 24 10.243 9.764 -0.886 211 1HB ARG 24 HB2 ARG 24 8.713 11.303 -1.967 212 2HB ARG 24 HB1 ARG 24 7.875 11.580 -0.450 213 1HG ARG 24 HG2 ARG 24 10.765 12.258 -0.701 214 2HG ARG 24 HG1 ARG 24 9.543 13.334 -1.378 215 1HD ARG 24 HD2 ARG 24 8.487 12.931 1.053 216 2HD ARG 24 HD1 ARG 24 10.197 12.727 1.440 217 HE ARG 24 HE ARG 24 9.508 15.090 -0.100 218 1HH1 ARG 24 HH11 ARG 24 10.286 13.748 3.041 219 2HH1 ARG 24 HH12 ARG 24 10.456 15.301 3.793 220 1HH2 ARG 24 HH21 ARG 24 9.748 17.115 0.881 221 2HH2 ARG 24 HH22 ARG 24 10.142 17.223 2.573 222 H THR 25 HN THR 25 7.678 9.563 1.447 223 HA THR 25 HA THR 25 9.034 10.709 3.652 224 HB THR 25 HB THR 25 6.776 8.702 3.621 225 HG1 THR 25 HG1 THR 25 6.554 10.920 2.578 226 1HG2 THR 25 HG21 THR 25 6.290 9.654 5.877 227 2HG2 THR 25 HG22 THR 25 7.833 10.508 5.790 228 3HG2 THR 25 HG23 THR 25 7.801 8.744 5.793 229 H LEU 26 HN LEU 26 8.624 7.410 2.466 230 HA LEU 26 HA LEU 26 10.461 6.380 4.464 231 1HB LEU 26 HB2 LEU 26 9.311 4.937 2.087 232 2HB LEU 26 HB1 LEU 26 10.096 4.224 3.479 233 HG LEU 26 HG LEU 26 7.901 3.815 3.948 234 1HD1 LEU 26 HD11 LEU 26 7.133 5.308 5.693 235 2HD1 LEU 26 HD12 LEU 26 8.274 6.541 5.152 236 3HD1 LEU 26 HD13 LEU 26 8.868 5.020 5.823 237 1HD2 LEU 26 HD21 LEU 26 7.023 5.003 1.999 238 2HD2 LEU 26 HD22 LEU 26 7.099 6.506 2.919 239 3HD2 LEU 26 HD23 LEU 26 6.029 5.205 3.443 240 H GLY 27 HN GLY 27 10.661 7.859 1.478 241 1HA GLY 27 HA2 GLY 27 12.453 8.400 0.166 242 2HA GLY 27 HA1 GLY 27 13.483 7.649 1.362 243 H ILE 28 HN ILE 28 10.947 5.780 0.007 244 HA ILE 28 HA ILE 28 12.830 4.096 -1.425 245 HB ILE 28 HB ILE 28 10.973 2.571 -1.729 246 1HG1 ILE 28 HG12 ILE 28 9.214 4.646 -0.419 247 2HG1 ILE 28 HG11 ILE 28 9.279 4.344 -2.157 248 1HG2 ILE 28 HG21 ILE 28 12.117 2.540 0.427 249 2HG2 ILE 28 HG22 ILE 28 10.418 2.101 0.595 250 3HG2 ILE 28 HG23 ILE 28 10.963 3.712 1.062 251 1HD1 ILE 28 HD11 ILE 28 7.397 3.203 -1.252 252 2HD1 ILE 28 HD12 ILE 28 8.397 2.435 -0.019 253 3HD1 ILE 28 HD13 ILE 28 8.613 2.011 -1.717 254 H ALA 29 HN ALA 29 10.918 3.237 -3.407 255 HA ALA 29 HA ALA 29 10.188 5.474 -5.028 256 1HB ALA 29 HB1 ALA 29 12.545 3.800 -5.914 257 2HB ALA 29 HB2 ALA 29 12.615 5.489 -5.415 258 3HB ALA 29 HB3 ALA 29 11.736 5.035 -6.875 259 H GLU 30 HN GLU 30 9.981 4.393 -7.452 260 HA GLU 30 HA GLU 30 7.858 2.502 -6.984 261 1HB GLU 30 HB2 GLU 30 7.571 2.770 -9.497 262 2HB GLU 30 HB1 GLU 30 7.383 4.231 -8.534 263 1HG GLU 30 HG2 GLU 30 10.008 3.549 -9.774 264 2HG GLU 30 HG1 GLU 30 8.748 4.348 -10.715 265 H LYS 31 HN LYS 31 11.087 2.517 -8.139 266 HA LYS 31 HA LYS 31 11.011 -0.118 -9.275 267 1HB LYS 31 HB2 LYS 31 13.488 1.359 -8.439 268 2HB LYS 31 HB1 LYS 31 13.282 0.211 -9.756 269 1HG LYS 31 HG2 LYS 31 11.748 2.747 -9.826 270 2HG LYS 31 HG1 LYS 31 13.470 2.791 -10.205 271 1HD LYS 31 HD2 LYS 31 12.383 2.536 -12.273 272 2HD LYS 31 HD1 LYS 31 12.975 0.924 -11.869 273 1HE LYS 31 HE2 LYS 31 10.782 0.257 -11.133 274 2HE LYS 31 HE1 LYS 31 10.173 1.900 -11.347 275 1HZ LYS 31 HZ1 LYS 31 9.558 0.453 -13.200 276 2HZ LYS 31 HZ2 LYS 31 11.200 0.155 -13.525 277 3HZ LYS 31 HZ3 LYS 31 10.569 1.718 -13.713 278 H ASP 32 HN ASP 32 10.810 0.998 -6.201 279 HA ASP 32 HA ASP 32 12.603 -0.871 -4.949 280 1HB ASP 32 HB2 ASP 32 11.667 1.532 -4.124 281 2HB ASP 32 HB1 ASP 32 10.550 0.450 -3.300 282 H ALA 33 HN ALA 33 11.539 -2.069 -3.000 283 HA ALA 33 HA ALA 33 9.043 -3.365 -3.929 284 1HB ALA 33 HB1 ALA 33 10.956 -4.897 -4.244 285 2HB ALA 33 HB2 ALA 33 9.846 -5.486 -3.002 286 3HB ALA 33 HB3 ALA 33 11.372 -4.725 -2.539 287 H LEU 34 HN LEU 34 7.571 -3.746 -2.300 288 HA LEU 34 HA LEU 34 8.246 -2.519 0.276 289 1HB LEU 34 HB2 LEU 34 5.739 -2.341 -1.366 290 2HB LEU 34 HB1 LEU 34 5.734 -2.037 0.364 291 HG LEU 34 HG LEU 34 7.511 -0.526 -1.559 292 1HD1 LEU 34 HD11 LEU 34 5.884 1.285 -1.428 293 2HD1 LEU 34 HD12 LEU 34 4.815 0.280 -0.447 294 3HD1 LEU 34 HD13 LEU 34 5.142 -0.156 -2.124 295 1HD2 LEU 34 HD21 LEU 34 7.685 1.037 0.298 296 2HD2 LEU 34 HD22 LEU 34 8.201 -0.574 0.797 297 3HD2 LEU 34 HD23 LEU 34 6.614 0.030 1.272 298 H GLU 35 HN GLU 35 7.925 -3.724 1.969 299 HA GLU 35 HA GLU 35 6.968 -6.418 1.534 300 1HB GLU 35 HB2 GLU 35 9.157 -5.727 2.734 301 2HB GLU 35 HB1 GLU 35 8.108 -5.340 4.095 302 1HG GLU 35 HG2 GLU 35 7.388 -7.574 4.291 303 2HG GLU 35 HG1 GLU 35 8.103 -8.003 2.735 304 H ILE 36 HN ILE 36 4.866 -6.439 1.534 305 HA ILE 36 HA ILE 36 3.384 -4.619 3.249 306 HB ILE 36 HB ILE 36 2.492 -6.519 1.098 307 1HG1 ILE 36 HG12 ILE 36 1.871 -3.869 0.439 308 2HG1 ILE 36 HG11 ILE 36 3.503 -3.816 1.105 309 1HG2 ILE 36 HG21 ILE 36 0.930 -4.636 2.843 310 2HG2 ILE 36 HG22 ILE 36 0.659 -6.358 2.570 311 3HG2 ILE 36 HG23 ILE 36 0.321 -5.199 1.283 312 1HD1 ILE 36 HD11 ILE 36 4.180 -5.556 -0.483 313 2HD1 ILE 36 HD12 ILE 36 3.575 -4.104 -1.287 314 3HD1 ILE 36 HD13 ILE 36 2.556 -5.540 -1.173 315 H TYR 37 HN TYR 37 2.210 -5.103 4.898 316 HA TYR 37 HA TYR 37 1.698 -7.901 5.678 317 1HB TYR 37 HB2 TYR 37 2.117 -5.735 7.727 318 2HB TYR 37 HB1 TYR 37 2.238 -7.478 7.921 319 HD1 TYR 37 HD1 TYR 37 3.990 -4.415 7.114 320 HD2 TYR 37 HD2 TYR 37 4.299 -8.659 7.187 321 HE1 TYR 37 HE1 TYR 37 6.436 -4.232 7.016 322 HE2 TYR 37 HE2 TYR 37 6.751 -8.484 7.078 323 HH TYR 37 HH TYR 37 8.476 -6.901 6.393 324 H VAL 38 HN VAL 38 -0.026 -7.669 7.600 325 HA VAL 38 HA VAL 38 -1.766 -5.371 7.316 326 HB VAL 38 HB VAL 38 -2.625 -8.138 6.552 327 1HG1 VAL 38 HG11 VAL 38 -5.017 -7.330 6.791 328 2HG1 VAL 38 HG12 VAL 38 -4.368 -6.044 7.821 329 3HG1 VAL 38 HG13 VAL 38 -4.175 -7.736 8.287 330 1HG2 VAL 38 HG21 VAL 38 -3.838 -6.971 4.790 331 2HG2 VAL 38 HG22 VAL 38 -2.121 -6.567 4.777 332 3HG2 VAL 38 HG23 VAL 38 -3.290 -5.428 5.446 333 H ASP 39 HN ASP 39 -2.742 -4.872 9.172 334 HA ASP 39 HA ASP 39 -2.450 -6.777 11.392 335 1HB ASP 39 HB2 ASP 39 -2.168 -3.786 11.363 336 2HB ASP 39 HB1 ASP 39 -2.564 -4.642 12.847 337 H ASP 40 HN ASP 40 -4.272 -7.561 12.060 338 HA ASP 40 HA ASP 40 -6.466 -7.942 12.399 339 1HB ASP 40 HB2 ASP 40 -6.816 -4.940 12.455 340 2HB ASP 40 HB1 ASP 40 -7.874 -6.146 13.173 341 H GLU 41 HN GLU 41 -6.793 -4.884 10.691 342 HA GLU 41 HA GLU 41 -8.052 -6.245 8.436 343 1HB GLU 41 HB2 GLU 41 -9.961 -4.622 8.580 344 2HB GLU 41 HB1 GLU 41 -9.913 -5.822 9.866 345 1HG GLU 41 HG2 GLU 41 -8.916 -4.177 11.370 346 2HG GLU 41 HG1 GLU 41 -8.964 -2.973 10.079 347 H LYS 42 HN LYS 42 -5.569 -4.515 9.039 348 HA LYS 42 HA LYS 42 -6.046 -2.688 6.824 349 1HB LYS 42 HB2 LYS 42 -5.033 -0.845 7.933 350 2HB LYS 42 HB1 LYS 42 -6.203 -1.528 9.053 351 1HG LYS 42 HG2 LYS 42 -4.394 -2.717 10.200 352 2HG LYS 42 HG1 LYS 42 -3.229 -1.979 9.101 353 1HD LYS 42 HD2 LYS 42 -4.060 0.258 9.898 354 2HD LYS 42 HD1 LYS 42 -4.970 -0.609 11.140 355 1HE LYS 42 HE2 LYS 42 -2.827 -1.651 11.875 356 2HE LYS 42 HE1 LYS 42 -1.984 -0.598 10.736 357 1HZ LYS 42 HZ1 LYS 42 -1.951 0.322 12.951 358 2HZ LYS 42 HZ2 LYS 42 -3.644 0.295 13.032 359 3HZ LYS 42 HZ3 LYS 42 -2.865 1.319 11.930 360 H ILE 43 HN ILE 43 -4.259 -1.937 5.700 361 HA ILE 43 HA ILE 43 -2.329 -4.093 5.356 362 HB ILE 43 HB ILE 43 -2.874 -1.687 3.613 363 1HG1 ILE 43 HG12 ILE 43 -3.991 -4.476 3.294 364 2HG1 ILE 43 HG11 ILE 43 -4.879 -3.157 4.048 365 1HG2 ILE 43 HG21 ILE 43 -0.721 -2.932 3.299 366 2HG2 ILE 43 HG22 ILE 43 -1.772 -2.863 1.878 367 3HG2 ILE 43 HG23 ILE 43 -1.686 -4.341 2.847 368 1HD1 ILE 43 HD11 ILE 43 -4.762 -1.893 1.963 369 2HD1 ILE 43 HD12 ILE 43 -5.544 -3.459 1.738 370 3HD1 ILE 43 HD13 ILE 43 -3.876 -3.222 1.213 371 H ILE 44 HN ILE 44 -0.123 -3.802 5.447 372 HA ILE 44 HA ILE 44 0.837 -1.198 6.456 373 HB ILE 44 HB ILE 44 2.377 -3.512 7.398 374 1HG1 ILE 44 HG12 ILE 44 0.056 -4.429 7.578 375 2HG1 ILE 44 HG11 ILE 44 0.886 -4.268 9.121 376 1HG2 ILE 44 HG21 ILE 44 2.843 -1.251 8.114 377 2HG2 ILE 44 HG22 ILE 44 2.353 -2.227 9.497 378 3HG2 ILE 44 HG23 ILE 44 1.217 -1.091 8.774 379 1HD1 ILE 44 HD11 ILE 44 -0.445 -2.453 9.763 380 2HD1 ILE 44 HD12 ILE 44 -1.554 -3.618 9.023 381 3HD1 ILE 44 HD13 ILE 44 -1.030 -2.196 8.118 382 H LEU 45 HN LEU 45 2.037 -0.454 4.783 383 HA LEU 45 HA LEU 45 3.734 -2.345 3.327 384 1HB LEU 45 HB2 LEU 45 2.708 0.417 2.759 385 2HB LEU 45 HB1 LEU 45 4.159 -0.148 1.950 386 HG LEU 45 HG LEU 45 2.857 -2.064 1.042 387 1HD1 LEU 45 HD11 LEU 45 0.496 -0.591 2.200 388 2HD1 LEU 45 HD12 LEU 45 1.110 -2.150 2.748 389 3HD1 LEU 45 HD13 LEU 45 0.423 -1.992 1.131 390 1HD2 LEU 45 HD21 LEU 45 3.218 -0.060 -0.294 391 2HD2 LEU 45 HD22 LEU 45 1.782 0.684 0.411 392 3HD2 LEU 45 HD23 LEU 45 1.623 -0.742 -0.615 393 H LYS 46 HN LYS 46 5.644 -2.642 4.300 394 HA LYS 46 HA LYS 46 7.158 -0.206 5.027 395 1HB LYS 46 HB2 LYS 46 6.824 -1.447 7.049 396 2HB LYS 46 HB1 LYS 46 7.244 -2.964 6.268 397 1HG LYS 46 HG2 LYS 46 9.536 -2.333 6.107 398 2HG LYS 46 HG1 LYS 46 9.175 -0.688 6.634 399 1HD LYS 46 HD2 LYS 46 8.571 -3.063 8.359 400 2HD LYS 46 HD1 LYS 46 10.164 -2.300 8.358 401 1HE LYS 46 HE2 LYS 46 9.141 -0.167 8.960 402 2HE LYS 46 HE1 LYS 46 7.548 -0.921 8.946 403 1HZ LYS 46 HZ1 LYS 46 9.703 -1.941 10.691 404 2HZ LYS 46 HZ2 LYS 46 8.024 -2.147 10.842 405 3HZ LYS 46 HZ3 LYS 46 8.733 -0.638 11.172 406 H LYS 47 HN LYS 47 9.086 0.064 3.967 407 HA LYS 47 HA LYS 47 9.428 -1.147 1.526 408 1HB LYS 47 HB2 LYS 47 11.566 -0.103 1.349 409 2HB LYS 47 HB1 LYS 47 10.493 0.991 2.208 410 1HG LYS 47 HG2 LYS 47 12.002 1.163 3.804 411 2HG LYS 47 HG1 LYS 47 11.847 -0.569 4.139 412 1HD LYS 47 HD2 LYS 47 14.162 0.010 3.623 413 2HD LYS 47 HD1 LYS 47 13.481 -1.032 2.369 414 1HE LYS 47 HE2 LYS 47 12.963 1.017 1.052 415 2HE LYS 47 HE1 LYS 47 13.848 1.950 2.254 416 1HZ LYS 47 HZ1 LYS 47 15.005 -0.266 0.644 417 2HZ LYS 47 HZ2 LYS 47 15.846 0.754 1.713 418 3HZ LYS 47 HZ3 LYS 47 15.184 1.379 0.287 419 H TYR 48 HN TYR 48 10.665 -2.772 0.682 420 HA TYR 48 HA TYR 48 11.066 -5.042 2.265 421 1HB TYR 48 HB2 TYR 48 10.738 -5.347 -0.067 422 2HB TYR 48 HB1 TYR 48 12.077 -4.284 -0.468 423 HD1 TYR 48 HD1 TYR 48 14.121 -5.211 -1.019 424 HD2 TYR 48 HD2 TYR 48 11.374 -7.517 1.269 425 HE1 TYR 48 HE1 TYR 48 15.632 -7.143 -1.167 426 HE2 TYR 48 HE2 TYR 48 12.881 -9.458 1.129 427 HH TYR 48 HH TYR 48 16.071 -9.242 0.204 428 H LYS 49 HN LYS 49 12.953 -6.044 2.962 429 HA LYS 49 HA LYS 49 14.755 -4.246 4.206 430 1HB LYS 49 HB2 LYS 49 14.016 -6.600 4.973 431 2HB LYS 49 HB1 LYS 49 15.262 -7.190 3.878 432 1HG LYS 49 HG2 LYS 49 16.047 -7.036 6.193 433 2HG LYS 49 HG1 LYS 49 16.964 -5.982 5.110 434 1HD LYS 49 HD2 LYS 49 16.463 -4.806 7.161 435 2HD LYS 49 HD1 LYS 49 15.544 -4.089 5.835 436 1HE LYS 49 HE2 LYS 49 13.615 -5.530 6.519 437 2HE LYS 49 HE1 LYS 49 14.545 -5.989 7.943 438 1HZ LYS 49 HZ1 LYS 49 13.006 -4.187 8.422 439 2HZ LYS 49 HZ2 LYS 49 13.723 -3.226 7.225 440 3HZ LYS 49 HZ3 LYS 49 14.611 -3.663 8.606 441 HA PRO 50 HA PRO 50 17.207 -3.922 0.534 442 1HB PRO 50 HB2 PRO 50 18.624 -1.772 1.228 443 2HB PRO 50 HB1 PRO 50 16.879 -1.655 0.966 444 1HG PRO 50 HG2 PRO 50 18.381 -1.897 3.550 445 2HG PRO 50 HG1 PRO 50 17.069 -0.782 3.122 446 1HD PRO 50 HD2 PRO 50 16.687 -3.110 4.500 447 2HD PRO 50 HD1 PRO 50 15.447 -2.363 3.475 448 H ASN 51 HN ASN 51 17.989 -5.533 3.061 449 HA ASN 51 HA ASN 51 20.864 -5.454 3.033 450 1HB ASN 51 HB2 ASN 51 19.727 -6.070 5.069 451 2HB ASN 51 HB1 ASN 51 18.909 -7.399 4.261 452 1HD2 ASN 51 HD21 ASN 51 22.293 -6.499 3.841 453 2HD2 ASN 51 HD22 ASN 51 22.942 -7.944 4.542 454 H MET 52 HN MET 52 21.546 -5.838 1.049 455 HA MET 52 HA MET 52 21.481 -8.589 0.154 456 1HB MET 52 HB2 MET 52 20.973 -7.931 -2.187 457 2HB MET 52 HB1 MET 52 19.619 -7.661 -1.100 458 1HG MET 52 HG2 MET 52 20.184 -5.280 -0.998 459 2HG MET 52 HG1 MET 52 21.524 -5.560 -2.110 460 1HE MET 52 HE1 MET 52 17.974 -7.232 -2.171 461 2HE MET 52 HE2 MET 52 17.095 -6.170 -3.269 462 3HE MET 52 HE3 MET 52 17.601 -5.576 -1.688 463 H THR 53 HN THR 53 23.323 -9.117 -1.022 464 HA THR 53 HA THR 53 25.547 -7.451 -0.371 465 HB THR 53 HB THR 53 26.744 -9.302 -1.817 466 HG1 THR 53 HG1 THR 53 25.443 -10.823 -2.512 467 1HG2 THR 53 HG21 THR 53 26.970 -9.060 0.601 468 2HG2 THR 53 HG22 THR 53 26.797 -10.760 0.163 469 3HG2 THR 53 HG23 THR 53 25.426 -9.879 0.837 470 1H MET 1 HT1 MET 1 -3.804 -13.519 4.578 471 2H MET 1 HT2 MET 1 -4.055 -15.191 4.471 472 3H MET 1 HT3 MET 1 -3.245 -14.546 5.809 473 HA MET 1 HA MET 1 -6.092 -14.149 5.095 474 1HB MET 1 HB2 MET 1 -5.486 -16.343 6.119 475 2HB MET 1 HB1 MET 1 -4.835 -15.480 7.506 476 1HG MET 1 HG2 MET 1 -7.052 -14.558 7.968 477 2HG MET 1 HG1 MET 1 -7.701 -15.431 6.583 478 1HE MET 1 HE1 MET 1 -6.207 -15.700 10.193 479 2HE MET 1 HE2 MET 1 -5.038 -16.621 9.245 480 3HE MET 1 HE3 MET 1 -6.074 -17.447 10.409 481 H LYS 2 HN LYS 2 -3.314 -13.097 6.904 482 HA LYS 2 HA LYS 2 -4.791 -10.640 7.490 483 1HB LYS 2 HB2 LYS 2 -4.597 -11.969 9.572 484 2HB LYS 2 HB1 LYS 2 -2.850 -11.938 9.410 485 1HG LYS 2 HG2 LYS 2 -3.041 -9.405 9.477 486 2HG LYS 2 HG1 LYS 2 -4.710 -9.651 9.999 487 1HD LYS 2 HD2 LYS 2 -3.638 -9.501 12.027 488 2HD LYS 2 HD1 LYS 2 -3.588 -11.243 11.758 489 1HE LYS 2 HE2 LYS 2 -1.391 -10.970 12.239 490 2HE LYS 2 HE1 LYS 2 -1.302 -10.521 10.531 491 1HZ LYS 2 HZ1 LYS 2 -1.742 -8.531 12.684 492 2HZ LYS 2 HZ2 LYS 2 -1.308 -8.250 11.070 493 3HZ LYS 2 HZ3 LYS 2 -0.197 -8.959 12.133 494 H SER 3 HN SER 3 -1.643 -10.893 8.746 495 HA SER 3 HA SER 3 -0.519 -9.211 6.700 496 1HB SER 3 HB2 SER 3 1.401 -9.174 8.199 497 2HB SER 3 HB1 SER 3 -0.073 -9.028 9.166 498 HG SER 3 HG SER 3 1.752 -10.653 9.705 499 H THR 4 HN THR 4 0.665 -9.832 5.075 500 HA THR 4 HA THR 4 1.053 -12.677 4.709 501 HB THR 4 HB THR 4 1.829 -11.802 2.387 502 HG1 THR 4 HG1 THR 4 1.961 -9.591 3.022 503 1HG2 THR 4 HG21 THR 4 -0.481 -11.729 1.609 504 2HG2 THR 4 HG22 THR 4 -1.043 -11.462 3.259 505 3HG2 THR 4 HG23 THR 4 -0.286 -12.994 2.823 506 H GLY 5 HN GLY 5 2.856 -9.694 5.089 507 1HA GLY 5 HA2 GLY 5 5.112 -9.270 5.314 508 2HA GLY 5 HA1 GLY 5 5.347 -11.003 5.575 509 H ILE 6 HN ILE 6 3.897 -9.298 2.898 510 HA ILE 6 HA ILE 6 5.550 -10.904 1.079 511 HB ILE 6 HB ILE 6 2.678 -10.603 1.395 512 1HG1 ILE 6 HG12 ILE 6 2.652 -12.569 -0.107 513 2HG1 ILE 6 HG11 ILE 6 4.356 -12.327 -0.464 514 1HG2 ILE 6 HG21 ILE 6 2.062 -10.381 -0.976 515 2HG2 ILE 6 HG22 ILE 6 3.739 -10.017 -1.382 516 3HG2 ILE 6 HG23 ILE 6 2.822 -8.916 -0.355 517 1HD1 ILE 6 HD11 ILE 6 4.011 -14.107 1.152 518 2HD1 ILE 6 HD12 ILE 6 3.205 -12.973 2.238 519 3HD1 ILE 6 HD13 ILE 6 4.915 -12.767 1.857 520 H VAL 7 HN VAL 7 6.797 -9.776 -0.337 521 HA VAL 7 HA VAL 7 6.448 -6.872 -0.276 522 HB VAL 7 HB VAL 7 8.645 -6.583 -0.869 523 1HG1 VAL 7 HG11 VAL 7 8.773 -7.462 1.271 524 2HG1 VAL 7 HG12 VAL 7 10.012 -8.338 0.367 525 3HG1 VAL 7 HG13 VAL 7 8.463 -9.109 0.716 526 1HG2 VAL 7 HG21 VAL 7 8.632 -9.323 -2.112 527 2HG2 VAL 7 HG22 VAL 7 10.094 -8.366 -1.880 528 3HG2 VAL 7 HG23 VAL 7 8.804 -7.760 -2.918 529 H ARG 8 HN ARG 8 6.237 -5.615 -2.111 530 HA ARG 8 HA ARG 8 5.965 -6.964 -4.699 531 1HB ARG 8 HB2 ARG 8 3.923 -5.091 -3.483 532 2HB ARG 8 HB1 ARG 8 3.941 -5.569 -5.178 533 1HG ARG 8 HG2 ARG 8 3.689 -7.478 -2.872 534 2HG ARG 8 HG1 ARG 8 2.345 -6.867 -3.847 535 1HD ARG 8 HD2 ARG 8 3.245 -7.845 -5.821 536 2HD ARG 8 HD1 ARG 8 4.737 -8.282 -4.983 537 HE ARG 8 HE ARG 8 3.290 -9.815 -3.614 538 1HH1 ARG 8 HH11 ARG 8 2.363 -8.922 -6.880 539 2HH1 ARG 8 HH12 ARG 8 1.419 -10.364 -7.132 540 1HH2 ARG 8 HH21 ARG 8 2.028 -11.692 -3.943 541 2HH2 ARG 8 HH22 ARG 8 1.226 -11.925 -5.468 542 H LYS 9 HN LYS 9 6.269 -5.613 -6.502 543 HA LYS 9 HA LYS 9 8.108 -3.441 -6.017 544 1HB LYS 9 HB2 LYS 9 6.896 -4.347 -8.643 545 2HB LYS 9 HB1 LYS 9 8.336 -3.361 -8.435 546 1HG LYS 9 HG2 LYS 9 8.513 -5.911 -7.055 547 2HG LYS 9 HG1 LYS 9 8.265 -6.083 -8.792 548 1HD LYS 9 HD2 LYS 9 10.623 -6.033 -8.393 549 2HD LYS 9 HD1 LYS 9 10.169 -4.504 -9.146 550 1HE LYS 9 HE2 LYS 9 10.168 -3.431 -6.944 551 2HE LYS 9 HE1 LYS 9 10.634 -4.962 -6.204 552 1HZ LYS 9 HZ1 LYS 9 12.719 -4.903 -7.280 553 2HZ LYS 9 HZ2 LYS 9 12.483 -3.349 -6.649 554 3HZ LYS 9 HZ3 LYS 9 12.254 -3.631 -8.301 555 H VAL 10 HN VAL 10 7.820 -1.282 -6.685 556 HA VAL 10 HA VAL 10 5.050 -0.424 -6.294 557 HB VAL 10 HB VAL 10 7.524 1.311 -6.370 558 1HG1 VAL 10 HG11 VAL 10 4.795 1.730 -5.161 559 2HG1 VAL 10 HG12 VAL 10 5.482 2.579 -6.547 560 3HG1 VAL 10 HG13 VAL 10 6.173 2.807 -4.940 561 1HG2 VAL 10 HG21 VAL 10 7.555 1.128 -3.917 562 2HG2 VAL 10 HG22 VAL 10 7.870 -0.415 -4.712 563 3HG2 VAL 10 HG23 VAL 10 6.285 -0.092 -4.007 564 H ASP 11 HN ASP 11 6.496 -1.393 -8.871 565 HA ASP 11 HA ASP 11 5.971 -1.237 -11.066 566 1HB ASP 11 HB2 ASP 11 3.706 -0.447 -10.058 567 2HB ASP 11 HB1 ASP 11 4.260 1.171 -10.472 568 H GLU 12 HN GLU 12 5.370 1.289 -12.368 569 HA GLU 12 HA GLU 12 7.917 2.735 -12.055 570 1HB GLU 12 HB2 GLU 12 6.887 3.309 -14.593 571 2HB GLU 12 HB1 GLU 12 8.287 2.304 -14.234 572 1HG GLU 12 HG2 GLU 12 5.576 1.095 -14.123 573 2HG GLU 12 HG1 GLU 12 6.287 1.435 -15.699 574 H LEU 13 HN LEU 13 4.522 2.817 -12.861 575 HA LEU 13 HA LEU 13 4.364 5.670 -12.961 576 1HB LEU 13 HB2 LEU 13 2.292 3.490 -12.943 577 2HB LEU 13 HB1 LEU 13 1.854 5.187 -12.940 578 HG LEU 13 HG LEU 13 1.709 4.409 -15.187 579 1HD1 LEU 13 HD11 LEU 13 2.637 6.635 -14.911 580 2HD1 LEU 13 HD12 LEU 13 3.314 5.836 -16.330 581 3HD1 LEU 13 HD13 LEU 13 4.266 5.961 -14.850 582 1HD2 LEU 13 HD21 LEU 13 3.536 3.347 -16.375 583 2HD2 LEU 13 HD22 LEU 13 3.115 2.411 -14.941 584 3HD2 LEU 13 HD23 LEU 13 4.557 3.430 -14.935 585 H GLY 14 HN GLY 14 4.423 3.444 -10.397 586 1HA GLY 14 HA2 GLY 14 4.928 4.422 -8.232 587 2HA GLY 14 HA1 GLY 14 3.764 5.688 -8.588 588 H ARG 15 HN ARG 15 2.551 2.828 -9.659 589 HA ARG 15 HA ARG 15 0.979 2.567 -7.239 590 1HB ARG 15 HB2 ARG 15 -0.604 1.294 -8.718 591 2HB ARG 15 HB1 ARG 15 -0.399 2.992 -9.095 592 1HG ARG 15 HG2 ARG 15 1.350 2.112 -10.810 593 2HG ARG 15 HG1 ARG 15 0.454 0.595 -10.620 594 1HD ARG 15 HD2 ARG 15 -0.677 1.612 -12.360 595 2HD ARG 15 HD1 ARG 15 -1.634 2.068 -10.952 596 HE ARG 15 HE ARG 15 0.335 4.027 -11.517 597 1HH1 ARG 15 HH11 ARG 15 -2.802 2.854 -12.591 598 2HH1 ARG 15 HH12 ARG 15 -3.258 4.383 -13.276 599 1HH2 ARG 15 HH21 ARG 15 -0.280 6.024 -12.450 600 2HH2 ARG 15 HH22 ARG 15 -1.842 6.172 -13.199 601 H VAL 16 HN VAL 16 1.362 0.994 -5.883 602 HA VAL 16 HA VAL 16 3.227 -1.116 -6.602 603 HB VAL 16 HB VAL 16 3.278 0.048 -4.348 604 1HG1 VAL 16 HG11 VAL 16 0.961 0.163 -3.809 605 2HG1 VAL 16 HG12 VAL 16 1.784 -0.820 -2.596 606 3HG1 VAL 16 HG13 VAL 16 0.822 -1.595 -3.857 607 1HG2 VAL 16 HG21 VAL 16 3.875 -1.956 -3.121 608 2HG2 VAL 16 HG22 VAL 16 4.448 -2.053 -4.788 609 3HG2 VAL 16 HG23 VAL 16 3.007 -2.946 -4.297 610 H VAL 17 HN VAL 17 2.668 -3.172 -7.090 611 HA VAL 17 HA VAL 17 -0.128 -3.641 -7.547 612 HB VAL 17 HB VAL 17 1.993 -5.747 -7.804 613 1HG1 VAL 17 HG11 VAL 17 -0.319 -6.458 -8.058 614 2HG1 VAL 17 HG12 VAL 17 0.550 -6.579 -9.588 615 3HG1 VAL 17 HG13 VAL 17 -0.561 -5.239 -9.310 616 1HG2 VAL 17 HG21 VAL 17 2.389 -5.001 -10.108 617 2HG2 VAL 17 HG22 VAL 17 2.879 -3.786 -8.929 618 3HG2 VAL 17 HG23 VAL 17 1.367 -3.589 -9.819 619 H ILE 18 HN ILE 18 -0.976 -3.532 -5.502 620 HA ILE 18 HA ILE 18 -0.113 -5.184 -3.396 621 HB ILE 18 HB ILE 18 -1.235 -3.328 -2.667 622 1HG1 ILE 18 HG12 ILE 18 -3.447 -5.361 -2.518 623 2HG1 ILE 18 HG11 ILE 18 -1.959 -5.496 -1.579 624 1HG2 ILE 18 HG21 ILE 18 -3.467 -2.607 -3.392 625 2HG2 ILE 18 HG22 ILE 18 -3.481 -3.923 -4.566 626 3HG2 ILE 18 HG23 ILE 18 -2.294 -2.626 -4.709 627 1HD1 ILE 18 HD11 ILE 18 -2.451 -3.444 -0.425 628 2HD1 ILE 18 HD12 ILE 18 -3.842 -4.525 -0.322 629 3HD1 ILE 18 HD13 ILE 18 -3.862 -3.170 -1.450 630 HA PRO 19 HA PRO 19 -1.561 -8.965 -5.109 631 1HB PRO 19 HB2 PRO 19 -1.697 -9.738 -2.235 632 2HB PRO 19 HB1 PRO 19 -0.930 -10.578 -3.595 633 1HG PRO 19 HG2 PRO 19 0.558 -9.222 -1.858 634 2HG PRO 19 HG1 PRO 19 0.923 -9.160 -3.593 635 1HD PRO 19 HD2 PRO 19 -0.412 -7.127 -1.860 636 2HD PRO 19 HD1 PRO 19 0.723 -6.892 -3.206 637 H ILE 20 HN ILE 20 -3.464 -9.900 -5.544 638 HA ILE 20 HA ILE 20 -5.890 -8.749 -4.787 639 HB ILE 20 HB ILE 20 -7.002 -10.654 -5.772 640 1HG1 ILE 20 HG12 ILE 20 -5.158 -12.424 -6.719 641 2HG1 ILE 20 HG11 ILE 20 -4.448 -12.012 -5.159 642 1HG2 ILE 20 HG21 ILE 20 -5.934 -8.978 -7.214 643 2HG2 ILE 20 HG22 ILE 20 -6.053 -10.563 -7.983 644 3HG2 ILE 20 HG23 ILE 20 -4.509 -10.010 -7.330 645 1HD1 ILE 20 HD11 ILE 20 -6.419 -12.732 -4.003 646 2HD1 ILE 20 HD12 ILE 20 -5.892 -14.016 -5.097 647 3HD1 ILE 20 HD13 ILE 20 -7.266 -12.998 -5.531 648 H GLU 21 HN GLU 21 -3.922 -11.105 -3.273 649 HA GLU 21 HA GLU 21 -5.848 -12.479 -1.754 650 1HB GLU 21 HB2 GLU 21 -3.059 -12.156 -0.759 651 2HB GLU 21 HB1 GLU 21 -4.066 -13.598 -0.852 652 1HG GLU 21 HG2 GLU 21 -3.797 -13.528 -3.340 653 2HG GLU 21 HG1 GLU 21 -2.616 -12.238 -3.111 654 H LEU 22 HN LEU 22 -3.648 -9.782 -0.966 655 HA LEU 22 HA LEU 22 -4.610 -9.488 1.669 656 1HB LEU 22 HB2 LEU 22 -3.147 -7.640 -0.183 657 2HB LEU 22 HB1 LEU 22 -3.589 -7.169 1.452 658 HG LEU 22 HG LEU 22 -2.324 -9.678 1.651 659 1HD1 LEU 22 HD11 LEU 22 -1.423 -9.341 -0.564 660 2HD1 LEU 22 HD12 LEU 22 -0.145 -9.220 0.648 661 3HD1 LEU 22 HD13 LEU 22 -0.800 -7.758 -0.095 662 1HD2 LEU 22 HD21 LEU 22 -1.312 -6.906 2.275 663 2HD2 LEU 22 HD22 LEU 22 -0.656 -8.412 2.914 664 3HD2 LEU 22 HD23 LEU 22 -2.297 -7.917 3.333 665 H ARG 23 HN ARG 23 -5.501 -7.864 -1.385 666 HA ARG 23 HA ARG 23 -7.393 -6.171 -0.074 667 1HB ARG 23 HB2 ARG 23 -8.196 -5.610 -2.334 668 2HB ARG 23 HB1 ARG 23 -6.456 -5.469 -2.195 669 1HG ARG 23 HG2 ARG 23 -6.727 -6.431 -4.261 670 2HG ARG 23 HG1 ARG 23 -6.415 -7.830 -3.234 671 1HD ARG 23 HD2 ARG 23 -8.594 -8.572 -3.359 672 2HD ARG 23 HD1 ARG 23 -9.236 -6.971 -3.715 673 HE ARG 23 HE ARG 23 -7.750 -7.482 -5.897 674 1HH1 ARG 23 HH11 ARG 23 -10.181 -9.381 -4.233 675 2HH1 ARG 23 HH12 ARG 23 -10.728 -10.187 -5.672 676 1HH2 ARG 23 HH21 ARG 23 -8.476 -8.519 -7.795 677 2HH2 ARG 23 HH22 ARG 23 -9.741 -9.709 -7.697 678 H ARG 24 HN ARG 24 -7.356 -9.397 -1.009 679 HA ARG 24 HA ARG 24 -10.199 -9.816 -0.974 680 1HB ARG 24 HB2 ARG 24 -8.950 -11.318 -2.303 681 2HB ARG 24 HB1 ARG 24 -7.765 -11.577 -1.031 682 1HG ARG 24 HG2 ARG 24 -10.547 -12.379 -0.478 683 2HG ARG 24 HG1 ARG 24 -9.626 -13.356 -1.632 684 1HD ARG 24 HD2 ARG 24 -7.827 -13.581 0.010 685 2HD ARG 24 HD1 ARG 24 -8.764 -12.624 1.158 686 HE ARG 24 HE ARG 24 -9.376 -15.356 0.269 687 1HH1 ARG 24 HH11 ARG 24 -10.109 -12.633 2.328 688 2HH1 ARG 24 HH12 ARG 24 -10.923 -13.586 3.535 689 1HH2 ARG 24 HH21 ARG 24 -10.449 -16.621 1.823 690 2HH2 ARG 24 HH22 ARG 24 -11.105 -15.875 3.249 691 H THR 25 HN THR 25 -7.576 -9.651 1.260 692 HA THR 25 HA THR 25 -8.865 -10.928 3.446 693 HB THR 25 HB THR 25 -6.661 -8.860 3.478 694 HG1 THR 25 HG1 THR 25 -6.573 -11.231 2.439 695 1HG2 THR 25 HG21 THR 25 -6.086 -9.873 5.658 696 2HG2 THR 25 HG22 THR 25 -7.551 -10.852 5.560 697 3HG2 THR 25 HG23 THR 25 -7.668 -9.094 5.661 698 H LEU 26 HN LEU 26 -8.578 -7.578 2.336 699 HA LEU 26 HA LEU 26 -10.189 -6.626 4.564 700 1HB LEU 26 HB2 LEU 26 -9.159 -5.063 2.211 701 2HB LEU 26 HB1 LEU 26 -9.859 -4.411 3.675 702 HG LEU 26 HG LEU 26 -7.654 -4.079 4.102 703 1HD1 LEU 26 HD11 LEU 26 -6.801 -5.738 5.647 704 2HD1 LEU 26 HD12 LEU 26 -7.986 -6.902 5.059 705 3HD1 LEU 26 HD13 LEU 26 -8.520 -5.451 5.907 706 1HD2 LEU 26 HD21 LEU 26 -6.917 -5.099 1.990 707 2HD2 LEU 26 HD22 LEU 26 -6.914 -6.667 2.798 708 3HD2 LEU 26 HD23 LEU 26 -5.824 -5.392 3.343 709 H GLY 27 HN GLY 27 -10.749 -7.721 1.392 710 1HA GLY 27 HA2 GLY 27 -12.843 -8.178 0.482 711 2HA GLY 27 HA1 GLY 27 -13.574 -7.136 1.692 712 H ILE 28 HN ILE 28 -11.023 -5.514 0.335 713 HA ILE 28 HA ILE 28 -12.700 -3.806 -1.251 714 HB ILE 28 HB ILE 28 -10.606 -2.570 -1.700 715 1HG1 ILE 28 HG12 ILE 28 -9.291 -4.722 -0.043 716 2HG1 ILE 28 HG11 ILE 28 -9.122 -4.522 -1.790 717 1HG2 ILE 28 HG21 ILE 28 -11.883 -2.073 0.302 718 2HG2 ILE 28 HG22 ILE 28 -10.155 -1.899 0.614 719 3HG2 ILE 28 HG23 ILE 28 -11.016 -3.328 1.186 720 1HD1 ILE 28 HD11 ILE 28 -7.206 -3.586 -0.726 721 2HD1 ILE 28 HD12 ILE 28 -8.218 -2.622 0.351 722 3HD1 ILE 28 HD13 ILE 28 -8.191 -2.272 -1.377 723 H ALA 29 HN ALA 29 -10.513 -3.320 -3.297 724 HA ALA 29 HA ALA 29 -10.659 -5.715 -4.881 725 1HB ALA 29 HB1 ALA 29 -12.212 -3.336 -5.821 726 2HB ALA 29 HB2 ALA 29 -12.919 -4.791 -5.121 727 3HB ALA 29 HB3 ALA 29 -12.041 -4.885 -6.647 728 H GLU 30 HN GLU 30 -10.859 -2.928 -6.659 729 HA GLU 30 HA GLU 30 -8.046 -2.321 -6.853 730 1HB GLU 30 HB2 GLU 30 -8.035 -2.794 -9.325 731 2HB GLU 30 HB1 GLU 30 -8.196 -4.256 -8.357 732 1HG GLU 30 HG2 GLU 30 -10.695 -4.045 -8.691 733 2HG GLU 30 HG1 GLU 30 -10.330 -2.810 -9.898 734 H LYS 31 HN LYS 31 -11.287 -2.129 -8.086 735 HA LYS 31 HA LYS 31 -11.215 0.590 -8.918 736 1HB LYS 31 HB2 LYS 31 -13.621 -1.016 -8.083 737 2HB LYS 31 HB1 LYS 31 -13.553 0.321 -9.230 738 1HG LYS 31 HG2 LYS 31 -12.078 -2.227 -9.722 739 2HG LYS 31 HG1 LYS 31 -13.785 -2.068 -10.131 740 1HD LYS 31 HD2 LYS 31 -12.619 -1.568 -12.111 741 2HD LYS 31 HD1 LYS 31 -13.108 -0.006 -11.454 742 1HE LYS 31 HE2 LYS 31 -10.934 0.495 -10.738 743 2HE LYS 31 HE1 LYS 31 -10.407 -1.181 -10.879 744 1HZ LYS 31 HZ1 LYS 31 -9.568 0.240 -12.680 745 2HZ LYS 31 HZ2 LYS 31 -11.163 0.549 -13.172 746 3HZ LYS 31 HZ3 LYS 31 -10.540 -1.027 -13.252 747 H ASP 32 HN ASP 32 -11.019 -0.896 -5.977 748 HA ASP 32 HA ASP 32 -12.673 0.841 -4.440 749 1HB ASP 32 HB2 ASP 32 -12.099 -0.489 -2.620 750 2HB ASP 32 HB1 ASP 32 -11.904 -1.628 -3.968 751 H ALA 33 HN ALA 33 -11.626 2.037 -2.581 752 HA ALA 33 HA ALA 33 -9.129 3.312 -3.498 753 1HB ALA 33 HB1 ALA 33 -11.033 4.866 -3.728 754 2HB ALA 33 HB2 ALA 33 -9.889 5.419 -2.500 755 3HB ALA 33 HB3 ALA 33 -11.408 4.658 -2.016 756 H LEU 34 HN LEU 34 -7.630 3.702 -1.898 757 HA LEU 34 HA LEU 34 -8.188 2.415 0.684 758 1HB LEU 34 HB2 LEU 34 -5.788 2.254 -1.124 759 2HB LEU 34 HB1 LEU 34 -5.638 1.962 0.599 760 HG LEU 34 HG LEU 34 -7.573 0.433 -1.139 761 1HD1 LEU 34 HD11 LEU 34 -4.749 -0.310 -0.355 762 2HD1 LEU 34 HD12 LEU 34 -5.304 0.081 -1.983 763 3HD1 LEU 34 HD13 LEU 34 -5.908 -1.361 -1.168 764 1HD2 LEU 34 HD21 LEU 34 -7.495 -1.152 0.723 765 2HD2 LEU 34 HD22 LEU 34 -8.012 0.444 1.269 766 3HD2 LEU 34 HD23 LEU 34 -6.363 -0.102 1.579 767 H GLU 35 HN GLU 35 -7.865 3.686 2.355 768 HA GLU 35 HA GLU 35 -6.814 6.339 1.898 769 1HB GLU 35 HB2 GLU 35 -8.988 5.805 3.163 770 2HB GLU 35 HB1 GLU 35 -7.938 5.275 4.476 771 1HG GLU 35 HG2 GLU 35 -6.945 7.447 4.627 772 2HG GLU 35 HG1 GLU 35 -7.835 7.989 3.206 773 H ILE 36 HN ILE 36 -4.718 6.322 1.878 774 HA ILE 36 HA ILE 36 -3.279 4.432 3.555 775 HB ILE 36 HB ILE 36 -2.319 6.299 1.414 776 1HG1 ILE 36 HG12 ILE 36 -1.945 3.608 0.695 777 2HG1 ILE 36 HG11 ILE 36 -3.578 3.711 1.354 778 1HG2 ILE 36 HG21 ILE 36 -0.460 5.957 2.796 779 2HG2 ILE 36 HG22 ILE 36 -0.283 4.739 1.528 780 3HG2 ILE 36 HG23 ILE 36 -0.905 4.283 3.120 781 1HD1 ILE 36 HD11 ILE 36 -4.074 5.528 -0.198 782 2HD1 ILE 36 HD12 ILE 36 -3.591 4.050 -1.036 783 3HD1 ILE 36 HD13 ILE 36 -2.450 5.386 -0.874 784 H TYR 37 HN TYR 37 -2.083 4.846 5.187 785 HA TYR 37 HA TYR 37 -1.487 7.621 6.007 786 1HB TYR 37 HB2 TYR 37 -1.876 5.331 7.944 787 2HB TYR 37 HB1 TYR 37 -1.841 7.052 8.286 788 HD1 TYR 37 HD1 TYR 37 -3.894 4.224 7.410 789 HD2 TYR 37 HD2 TYR 37 -3.807 8.464 7.709 790 HE1 TYR 37 HE1 TYR 37 -6.350 4.265 7.431 791 HE2 TYR 37 HE2 TYR 37 -6.264 8.518 7.724 792 HH TYR 37 HH TYR 37 -8.157 7.081 6.974 793 H VAL 38 HN VAL 38 0.328 7.342 7.825 794 HA VAL 38 HA VAL 38 2.090 5.093 7.388 795 HB VAL 38 HB VAL 38 2.891 7.905 6.696 796 1HG1 VAL 38 HG11 VAL 38 5.285 6.967 6.680 797 2HG1 VAL 38 HG12 VAL 38 4.649 5.723 7.774 798 3HG1 VAL 38 HG13 VAL 38 4.584 7.429 8.231 799 1HG2 VAL 38 HG21 VAL 38 3.963 6.841 4.774 800 2HG2 VAL 38 HG22 VAL 38 2.238 6.480 4.849 801 3HG2 VAL 38 HG23 VAL 38 3.416 5.268 5.355 802 H ASP 39 HN ASP 39 3.103 4.542 9.208 803 HA ASP 39 HA ASP 39 2.902 6.428 11.438 804 1HB ASP 39 HB2 ASP 39 2.509 3.481 11.360 805 2HB ASP 39 HB1 ASP 39 3.204 4.197 12.813 806 H ASP 40 HN ASP 40 4.779 7.446 11.007 807 HA ASP 40 HA ASP 40 6.792 8.026 11.817 808 1HB ASP 40 HB2 ASP 40 6.561 5.375 13.224 809 2HB ASP 40 HB1 ASP 40 7.863 6.528 13.512 810 H GLU 41 HN GLU 41 6.426 5.401 9.819 811 HA GLU 41 HA GLU 41 8.991 5.367 8.709 812 1HB GLU 41 HB2 GLU 41 9.738 3.146 9.657 813 2HB GLU 41 HB1 GLU 41 9.802 4.496 10.786 814 1HG GLU 41 HG2 GLU 41 7.788 3.781 11.866 815 2HG GLU 41 HG1 GLU 41 7.522 2.537 10.640 816 H LYS 42 HN LYS 42 5.807 4.086 9.080 817 HA LYS 42 HA LYS 42 6.279 2.415 6.741 818 1HB LYS 42 HB2 LYS 42 5.256 0.494 7.706 819 2HB LYS 42 HB1 LYS 42 6.422 1.087 8.883 820 1HG LYS 42 HG2 LYS 42 4.544 2.289 10.014 821 2HG LYS 42 HG1 LYS 42 3.443 1.417 8.949 822 1HD LYS 42 HD2 LYS 42 4.356 -0.711 9.816 823 2HD LYS 42 HD1 LYS 42 5.362 0.210 10.939 824 1HE LYS 42 HE2 LYS 42 3.213 1.259 11.784 825 2HE LYS 42 HE1 LYS 42 2.362 0.035 10.835 826 1HZ LYS 42 HZ1 LYS 42 4.387 -0.638 12.896 827 2HZ LYS 42 HZ2 LYS 42 3.299 -1.692 12.127 828 3HZ LYS 42 HZ3 LYS 42 2.729 -0.532 13.225 829 H ILE 43 HN ILE 43 4.456 1.690 5.625 830 HA ILE 43 HA ILE 43 2.516 3.850 5.396 831 HB ILE 43 HB ILE 43 3.045 1.492 3.581 832 1HG1 ILE 43 HG12 ILE 43 4.075 4.304 3.231 833 2HG1 ILE 43 HG11 ILE 43 5.015 3.042 4.019 834 1HG2 ILE 43 HG21 ILE 43 1.772 4.122 2.888 835 2HG2 ILE 43 HG22 ILE 43 0.854 2.692 3.360 836 3HG2 ILE 43 HG23 ILE 43 1.861 2.656 1.904 837 1HD1 ILE 43 HD11 ILE 43 5.643 3.310 1.686 838 2HD1 ILE 43 HD12 ILE 43 3.984 2.961 1.195 839 3HD1 ILE 43 HD13 ILE 43 4.953 1.716 1.983 840 H ILE 44 HN ILE 44 0.313 3.544 5.547 841 HA ILE 44 HA ILE 44 -0.595 0.901 6.494 842 HB ILE 44 HB ILE 44 -2.137 3.134 7.581 843 1HG1 ILE 44 HG12 ILE 44 0.166 4.118 7.687 844 2HG1 ILE 44 HG11 ILE 44 -0.602 3.903 9.254 845 1HG2 ILE 44 HG21 ILE 44 -2.489 0.834 8.235 846 2HG2 ILE 44 HG22 ILE 44 -1.998 1.796 9.629 847 3HG2 ILE 44 HG23 ILE 44 -0.837 0.727 8.844 848 1HD1 ILE 44 HD11 ILE 44 1.338 1.912 8.138 849 2HD1 ILE 44 HD12 ILE 44 0.808 2.119 9.811 850 3HD1 ILE 44 HD13 ILE 44 1.849 3.331 9.051 851 H LEU 45 HN LEU 45 -1.813 0.230 4.786 852 HA LEU 45 HA LEU 45 -3.569 2.154 3.460 853 1HB LEU 45 HB2 LEU 45 -2.617 -0.620 2.825 854 2HB LEU 45 HB1 LEU 45 -4.114 -0.047 2.106 855 HG LEU 45 HG LEU 45 -2.880 1.850 1.102 856 1HD1 LEU 45 HD11 LEU 45 -0.427 0.450 2.154 857 2HD1 LEU 45 HD12 LEU 45 -1.060 1.991 2.734 858 3HD1 LEU 45 HD13 LEU 45 -0.455 1.852 1.083 859 1HD2 LEU 45 HD21 LEU 45 -3.259 -0.216 -0.155 860 2HD2 LEU 45 HD22 LEU 45 -1.738 -0.866 0.457 861 3HD2 LEU 45 HD23 LEU 45 -1.733 0.544 -0.602 862 H LYS 46 HN LYS 46 -5.397 2.517 4.522 863 HA LYS 46 HA LYS 46 -6.932 0.170 5.473 864 1HB LYS 46 HB2 LYS 46 -6.339 1.830 7.244 865 2HB LYS 46 HB1 LYS 46 -7.183 3.072 6.329 866 1HG LYS 46 HG2 LYS 46 -9.214 1.469 6.516 867 2HG LYS 46 HG1 LYS 46 -8.294 0.753 7.841 868 1HD LYS 46 HD2 LYS 46 -9.056 3.655 7.608 869 2HD LYS 46 HD1 LYS 46 -9.856 2.462 8.636 870 1HE LYS 46 HE2 LYS 46 -7.720 2.099 9.807 871 2HE LYS 46 HE1 LYS 46 -6.987 3.365 8.823 872 1HZ LYS 46 HZ1 LYS 46 -8.800 4.857 9.734 873 2HZ LYS 46 HZ2 LYS 46 -7.587 4.393 10.819 874 3HZ LYS 46 HZ3 LYS 46 -9.104 3.637 10.875 875 H LYS 47 HN LYS 47 -8.757 -0.236 4.374 876 HA LYS 47 HA LYS 47 -9.388 0.837 1.942 877 1HB LYS 47 HB2 LYS 47 -11.424 -0.349 2.039 878 2HB LYS 47 HB1 LYS 47 -10.347 -1.245 3.104 879 1HG LYS 47 HG2 LYS 47 -11.354 -0.112 5.043 880 2HG LYS 47 HG1 LYS 47 -12.470 0.711 3.956 881 1HD LYS 47 HD2 LYS 47 -13.717 -1.090 4.716 882 2HD LYS 47 HD1 LYS 47 -13.091 -1.669 3.172 883 1HE LYS 47 HE2 LYS 47 -11.348 -2.902 4.286 884 2HE LYS 47 HE1 LYS 47 -11.826 -2.233 5.846 885 1HZ LYS 47 HZ1 LYS 47 -14.095 -3.315 5.261 886 2HZ LYS 47 HZ2 LYS 47 -12.842 -4.265 5.881 887 3HZ LYS 47 HZ3 LYS 47 -13.168 -4.284 4.220 888 H TYR 48 HN TYR 48 -10.585 2.518 1.169 889 HA TYR 48 HA TYR 48 -10.975 4.779 2.782 890 1HB TYR 48 HB2 TYR 48 -10.659 5.026 0.416 891 2HB TYR 48 HB1 TYR 48 -12.088 4.063 0.070 892 HD1 TYR 48 HD1 TYR 48 -13.983 5.207 -0.569 893 HD2 TYR 48 HD2 TYR 48 -11.181 7.165 1.967 894 HE1 TYR 48 HE1 TYR 48 -15.334 7.260 -0.666 895 HE2 TYR 48 HE2 TYR 48 -12.529 9.219 1.880 896 HH TYR 48 HH TYR 48 -15.666 9.325 0.842 897 H LYS 49 HN LYS 49 -12.780 5.670 3.693 898 HA LYS 49 HA LYS 49 -14.690 3.843 4.712 899 1HB LYS 49 HB2 LYS 49 -13.907 5.937 5.860 900 2HB LYS 49 HB1 LYS 49 -14.838 6.860 4.691 901 1HG LYS 49 HG2 LYS 49 -16.052 6.655 6.775 902 2HG LYS 49 HG1 LYS 49 -16.896 5.798 5.483 903 1HD LYS 49 HD2 LYS 49 -16.929 4.463 7.497 904 2HD LYS 49 HD1 LYS 49 -15.895 3.684 6.297 905 1HE LYS 49 HE2 LYS 49 -13.918 4.579 7.382 906 2HE LYS 49 HE1 LYS 49 -14.928 5.434 8.547 907 1HZ LYS 49 HZ1 LYS 49 -13.978 3.327 9.386 908 2HZ LYS 49 HZ2 LYS 49 -14.885 2.477 8.235 909 3HZ LYS 49 HZ3 LYS 49 -15.673 3.365 9.449 910 HA PRO 50 HA PRO 50 -17.127 4.066 1.018 911 1HB PRO 50 HB2 PRO 50 -18.766 2.011 1.515 912 2HB PRO 50 HB1 PRO 50 -17.049 1.752 1.178 913 1HG PRO 50 HG2 PRO 50 -18.492 1.750 3.795 914 2HG PRO 50 HG1 PRO 50 -17.198 0.680 3.227 915 1HD PRO 50 HD2 PRO 50 -16.828 2.858 4.887 916 2HD PRO 50 HD1 PRO 50 -15.570 2.128 3.881 917 H ASN 51 HN ASN 51 -17.794 5.572 3.591 918 HA ASN 51 HA ASN 51 -20.644 5.530 3.727 919 1HB ASN 51 HB2 ASN 51 -19.353 6.105 5.694 920 2HB ASN 51 HB1 ASN 51 -18.643 7.483 4.864 921 1HD2 ASN 51 HD21 ASN 51 -22.002 6.435 4.716 922 2HD2 ASN 51 HD22 ASN 51 -22.663 7.859 5.449 923 H MET 52 HN MET 52 -21.188 5.859 1.580 924 HA MET 52 HA MET 52 -21.354 8.690 0.912 925 1HB MET 52 HB2 MET 52 -20.975 8.109 -1.515 926 2HB MET 52 HB1 MET 52 -19.550 8.020 -0.491 927 1HG MET 52 HG2 MET 52 -19.849 5.573 -0.349 928 2HG MET 52 HG1 MET 52 -21.205 5.707 -1.468 929 1HE MET 52 HE1 MET 52 -17.860 7.763 -1.493 930 2HE MET 52 HE2 MET 52 -16.863 6.810 -2.590 931 3HE MET 52 HE3 MET 52 -17.316 6.154 -1.016 932 H THR 53 HN THR 53 -23.423 9.100 0.932 933 HA THR 53 HA THR 53 -25.262 7.002 0.018 934 HB THR 53 HB THR 53 -26.897 7.989 1.676 935 HG1 THR 53 HG1 THR 53 -25.673 9.951 2.013 936 1HG2 THR 53 HG21 THR 53 -25.726 5.875 2.096 937 2HG2 THR 53 HG22 THR 53 -25.962 6.786 3.587 938 3HG2 THR 53 HG23 THR 53 -24.379 6.763 2.808 Start of MODEL 3 1 1H MET 1 HT1 MET 1 5.369 15.831 4.397 2 2H MET 1 HT2 MET 1 4.750 15.687 5.972 3 3H MET 1 HT3 MET 1 3.908 15.013 4.666 4 HA MET 1 HA MET 1 5.690 13.450 4.276 5 1HB MET 1 HB2 MET 1 6.871 14.555 6.835 6 2HB MET 1 HB1 MET 1 7.530 13.261 5.845 7 1HG MET 1 HG2 MET 1 7.273 16.148 5.034 8 2HG MET 1 HG1 MET 1 8.753 15.338 5.540 9 1HE MET 1 HE1 MET 1 8.630 12.539 4.168 10 2HE MET 1 HE2 MET 1 10.057 13.570 4.103 11 3HE MET 1 HE3 MET 1 9.419 12.852 2.624 12 H LYS 2 HN LYS 2 6.113 11.531 5.919 13 HA LYS 2 HA LYS 2 5.251 9.956 7.311 14 1HB LYS 2 HB2 LYS 2 5.536 11.808 8.962 15 2HB LYS 2 HB1 LYS 2 3.860 12.254 8.693 16 1HG LYS 2 HG2 LYS 2 3.582 9.642 9.294 17 2HG LYS 2 HG1 LYS 2 5.016 10.044 10.244 18 1HD LYS 2 HD2 LYS 2 3.882 11.568 11.556 19 2HD LYS 2 HD1 LYS 2 2.636 11.848 10.333 20 1HE LYS 2 HE2 LYS 2 1.800 9.561 10.712 21 2HE LYS 2 HE1 LYS 2 2.990 9.361 11.999 22 1HZ LYS 2 HZ1 LYS 2 0.816 11.389 11.978 23 2HZ LYS 2 HZ2 LYS 2 1.950 11.156 13.219 24 3HZ LYS 2 HZ3 LYS 2 0.810 9.949 12.870 25 H SER 3 HN SER 3 2.557 10.071 8.557 26 HA SER 3 HA SER 3 0.924 9.012 6.561 27 1HB SER 3 HB2 SER 3 0.529 8.767 8.996 28 2HB SER 3 HB1 SER 3 0.086 10.469 9.060 29 HG SER 3 HG SER 3 -1.822 9.968 8.396 30 H THR 4 HN THR 4 -0.663 9.789 5.363 31 HA THR 4 HA THR 4 -0.810 12.697 5.186 32 HB THR 4 HB THR 4 -1.478 12.265 2.791 33 HG1 THR 4 HG1 THR 4 -1.671 9.856 3.421 34 1HG2 THR 4 HG21 THR 4 1.294 11.454 3.639 35 2HG2 THR 4 HG22 THR 4 0.725 13.110 3.429 36 3HG2 THR 4 HG23 THR 4 0.833 12.030 2.037 37 H GLY 5 HN GLY 5 -2.507 9.706 5.511 38 1HA GLY 5 HA2 GLY 5 -4.737 9.188 5.720 39 2HA GLY 5 HA1 GLY 5 -5.021 10.900 6.044 40 H ILE 6 HN ILE 6 -3.736 9.178 3.268 41 HA ILE 6 HA ILE 6 -5.524 10.745 1.533 42 HB ILE 6 HB ILE 6 -2.619 10.454 1.600 43 1HG1 ILE 6 HG12 ILE 6 -2.750 12.435 0.098 44 2HG1 ILE 6 HG11 ILE 6 -4.493 12.222 -0.002 45 1HG2 ILE 6 HG21 ILE 6 -3.948 9.954 -1.072 46 2HG2 ILE 6 HG22 ILE 6 -2.980 8.796 -0.160 47 3HG2 ILE 6 HG23 ILE 6 -2.230 10.254 -0.809 48 1HD1 ILE 6 HD11 ILE 6 -4.688 12.630 2.386 49 2HD1 ILE 6 HD12 ILE 6 -3.887 13.972 1.566 50 3HD1 ILE 6 HD13 ILE 6 -2.938 12.816 2.502 51 H VAL 7 HN VAL 7 -6.843 9.569 0.238 52 HA VAL 7 HA VAL 7 -6.393 6.679 0.224 53 HB VAL 7 HB VAL 7 -8.601 6.330 -0.299 54 1HG1 VAL 7 HG11 VAL 7 -9.983 7.857 1.083 55 2HG1 VAL 7 HG12 VAL 7 -8.573 8.906 1.248 56 3HG1 VAL 7 HG13 VAL 7 -8.530 7.263 1.891 57 1HG2 VAL 7 HG21 VAL 7 -10.131 8.129 -1.203 58 2HG2 VAL 7 HG22 VAL 7 -8.903 7.512 -2.306 59 3HG2 VAL 7 HG23 VAL 7 -8.675 9.076 -1.517 60 H ARG 8 HN ARG 8 -6.200 5.468 -1.639 61 HA ARG 8 HA ARG 8 -6.029 6.883 -4.205 62 1HB ARG 8 HB2 ARG 8 -3.941 4.950 -3.167 63 2HB ARG 8 HB1 ARG 8 -3.980 5.643 -4.783 64 1HG ARG 8 HG2 ARG 8 -3.759 7.296 -2.286 65 2HG ARG 8 HG1 ARG 8 -2.368 6.710 -3.204 66 1HD ARG 8 HD2 ARG 8 -3.116 7.899 -5.164 67 2HD ARG 8 HD1 ARG 8 -4.586 8.405 -4.336 68 HE ARG 8 HE ARG 8 -2.602 9.363 -2.756 69 1HH1 ARG 8 HH11 ARG 8 -3.289 9.670 -6.167 70 2HH1 ARG 8 HH12 ARG 8 -2.649 11.287 -6.277 71 1HH2 ARG 8 HH21 ARG 8 -1.740 11.480 -2.898 72 2HH2 ARG 8 HH22 ARG 8 -1.717 12.290 -4.428 73 H LYS 9 HN LYS 9 -6.316 5.524 -6.034 74 HA LYS 9 HA LYS 9 -8.093 3.296 -5.527 75 1HB LYS 9 HB2 LYS 9 -6.970 4.229 -8.177 76 2HB LYS 9 HB1 LYS 9 -8.386 3.221 -7.925 77 1HG LYS 9 HG2 LYS 9 -8.500 5.833 -6.606 78 2HG LYS 9 HG1 LYS 9 -8.425 5.897 -8.365 79 1HD LYS 9 HD2 LYS 9 -10.711 5.837 -7.880 80 2HD LYS 9 HD1 LYS 9 -10.317 4.181 -8.334 81 1HE LYS 9 HE2 LYS 9 -10.286 3.498 -6.035 82 2HE LYS 9 HE1 LYS 9 -10.462 5.165 -5.487 83 1HZ LYS 9 HZ1 LYS 9 -12.629 5.159 -6.749 84 2HZ LYS 9 HZ2 LYS 9 -12.592 4.218 -5.346 85 3HZ LYS 9 HZ3 LYS 9 -12.469 3.475 -6.862 86 H VAL 10 HN VAL 10 -7.773 1.163 -6.339 87 HA VAL 10 HA VAL 10 -4.979 0.333 -6.121 88 HB VAL 10 HB VAL 10 -7.438 -1.422 -6.311 89 1HG1 VAL 10 HG11 VAL 10 -4.654 -2.010 -5.310 90 2HG1 VAL 10 HG12 VAL 10 -5.373 -2.602 -6.808 91 3HG1 VAL 10 HG13 VAL 10 -6.025 -3.119 -5.253 92 1HG2 VAL 10 HG21 VAL 10 -7.661 0.042 -4.400 93 2HG2 VAL 10 HG22 VAL 10 -6.028 -0.361 -3.867 94 3HG2 VAL 10 HG23 VAL 10 -7.290 -1.594 -3.859 95 H ASP 11 HN ASP 11 -6.490 1.568 -8.539 96 HA ASP 11 HA ASP 11 -6.036 1.666 -10.745 97 1HB ASP 11 HB2 ASP 11 -3.716 1.153 -9.956 98 2HB ASP 11 HB1 ASP 11 -4.055 -0.554 -10.175 99 H GLU 12 HN GLU 12 -5.124 -1.076 -11.973 100 HA GLU 12 HA GLU 12 -7.745 -2.402 -11.904 101 1HB GLU 12 HB2 GLU 12 -7.010 -2.942 -14.421 102 2HB GLU 12 HB1 GLU 12 -7.998 -1.545 -13.995 103 1HG GLU 12 HG2 GLU 12 -5.847 -0.236 -13.864 104 2HG GLU 12 HG1 GLU 12 -5.053 -1.643 -14.575 105 H LEU 13 HN LEU 13 -4.297 -2.631 -12.515 106 HA LEU 13 HA LEU 13 -4.442 -5.523 -12.552 107 1HB LEU 13 HB2 LEU 13 -2.192 -3.564 -12.867 108 2HB LEU 13 HB1 LEU 13 -1.889 -5.283 -12.688 109 HG LEU 13 HG LEU 13 -1.854 -4.744 -15.028 110 1HD1 LEU 13 HD11 LEU 13 -2.822 -6.884 -14.427 111 2HD1 LEU 13 HD12 LEU 13 -3.608 -6.228 -15.862 112 3HD1 LEU 13 HD13 LEU 13 -4.417 -6.144 -14.299 113 1HD2 LEU 13 HD21 LEU 13 -3.750 -3.778 -16.204 114 2HD2 LEU 13 HD22 LEU 13 -3.178 -2.679 -14.949 115 3HD2 LEU 13 HD23 LEU 13 -4.646 -3.628 -14.686 116 H GLY 14 HN GLY 14 -4.622 -3.384 -10.122 117 1HA GLY 14 HA2 GLY 14 -5.024 -4.247 -7.938 118 2HA GLY 14 HA1 GLY 14 -3.878 -5.540 -8.266 119 H ARG 15 HN ARG 15 -2.925 -2.447 -9.214 120 HA ARG 15 HA ARG 15 -1.073 -2.348 -6.980 121 1HB ARG 15 HB2 ARG 15 0.184 -0.834 -8.565 122 2HB ARG 15 HB1 ARG 15 0.058 -2.524 -9.028 123 1HG ARG 15 HG2 ARG 15 -2.112 -1.543 -10.263 124 2HG ARG 15 HG1 ARG 15 -1.076 -0.109 -10.269 125 1HD ARG 15 HD2 ARG 15 0.675 -1.332 -11.368 126 2HD ARG 15 HD1 ARG 15 -0.260 -2.824 -11.287 127 HE ARG 15 HE ARG 15 -1.858 -0.984 -12.602 128 1HH1 ARG 15 HH11 ARG 15 1.297 -2.422 -13.135 129 2HH1 ARG 15 HH12 ARG 15 1.146 -2.417 -14.863 130 1HH2 ARG 15 HH21 ARG 15 -2.036 -0.927 -14.860 131 2HH2 ARG 15 HH22 ARG 15 -0.749 -1.551 -15.855 132 H VAL 16 HN VAL 16 -1.435 -0.872 -5.446 133 HA VAL 16 HA VAL 16 -3.349 1.256 -5.941 134 HB VAL 16 HB VAL 16 -3.194 -0.013 -3.729 135 1HG1 VAL 16 HG11 VAL 16 -0.856 1.790 -3.247 136 2HG1 VAL 16 HG12 VAL 16 -0.789 0.039 -3.454 137 3HG1 VAL 16 HG13 VAL 16 -1.630 0.731 -2.066 138 1HG2 VAL 16 HG21 VAL 16 -3.069 2.988 -3.603 139 2HG2 VAL 16 HG22 VAL 16 -3.796 1.924 -2.397 140 3HG2 VAL 16 HG23 VAL 16 -4.496 2.035 -4.013 141 H VAL 17 HN VAL 17 -2.805 3.294 -6.499 142 HA VAL 17 HA VAL 17 -0.038 3.766 -7.099 143 HB VAL 17 HB VAL 17 -2.274 5.788 -7.257 144 1HG1 VAL 17 HG11 VAL 17 0.382 5.600 -8.664 145 2HG1 VAL 17 HG12 VAL 17 -0.059 6.754 -7.402 146 3HG1 VAL 17 HG13 VAL 17 -0.853 6.821 -8.976 147 1HG2 VAL 17 HG21 VAL 17 -2.906 3.802 -8.517 148 2HG2 VAL 17 HG22 VAL 17 -1.361 3.837 -9.365 149 3HG2 VAL 17 HG23 VAL 17 -2.527 5.138 -9.605 150 H ILE 18 HN ILE 18 0.918 3.645 -5.092 151 HA ILE 18 HA ILE 18 0.162 5.304 -2.943 152 HB ILE 18 HB ILE 18 1.330 3.531 -2.153 153 1HG1 ILE 18 HG12 ILE 18 3.569 5.529 -2.457 154 2HG1 ILE 18 HG11 ILE 18 2.280 5.647 -1.260 155 1HG2 ILE 18 HG21 ILE 18 2.090 2.627 -4.253 156 2HG2 ILE 18 HG22 ILE 18 3.395 2.603 -3.068 157 3HG2 ILE 18 HG23 ILE 18 3.372 3.835 -4.329 158 1HD1 ILE 18 HD11 ILE 18 4.363 4.747 -0.338 159 2HD1 ILE 18 HD12 ILE 18 4.257 3.389 -1.460 160 3HD1 ILE 18 HD13 ILE 18 3.024 3.603 -0.213 161 HA PRO 19 HA PRO 19 1.495 9.080 -4.717 162 1HB PRO 19 HB2 PRO 19 1.972 9.893 -1.899 163 2HB PRO 19 HB1 PRO 19 1.021 10.694 -3.154 164 1HG PRO 19 HG2 PRO 19 -0.194 9.349 -1.202 165 2HG PRO 19 HG1 PRO 19 -0.800 9.265 -2.867 166 1HD PRO 19 HD2 PRO 19 0.783 7.259 -1.325 167 2HD PRO 19 HD1 PRO 19 -0.533 7.007 -2.491 168 H ILE 20 HN ILE 20 3.328 10.117 -5.276 169 HA ILE 20 HA ILE 20 5.795 8.843 -4.941 170 HB ILE 20 HB ILE 20 6.808 10.809 -5.962 171 1HG1 ILE 20 HG12 ILE 20 4.830 12.584 -6.608 172 2HG1 ILE 20 HG11 ILE 20 4.345 12.115 -4.975 173 1HG2 ILE 20 HG21 ILE 20 4.146 10.180 -7.216 174 2HG2 ILE 20 HG22 ILE 20 5.595 9.183 -7.336 175 3HG2 ILE 20 HG23 ILE 20 5.577 10.801 -8.041 176 1HD1 ILE 20 HD11 ILE 20 6.411 12.857 -4.066 177 2HD1 ILE 20 HD12 ILE 20 5.778 14.144 -5.098 178 3HD1 ILE 20 HD13 ILE 20 7.093 13.119 -5.675 179 H GLU 21 HN GLU 21 4.180 11.292 -3.151 180 HA GLU 21 HA GLU 21 6.424 12.356 -1.794 181 1HB GLU 21 HB2 GLU 21 4.334 13.056 -0.224 182 2HB GLU 21 HB1 GLU 21 4.777 13.909 -1.698 183 1HG GLU 21 HG2 GLU 21 3.159 12.526 -2.952 184 2HG GLU 21 HG1 GLU 21 2.669 11.766 -1.434 185 H LEU 22 HN LEU 22 4.109 9.816 -1.121 186 HA LEU 22 HA LEU 22 5.034 9.453 1.546 187 1HB LEU 22 HB2 LEU 22 3.252 7.909 -0.278 188 2HB LEU 22 HB1 LEU 22 3.841 7.163 1.202 189 HG LEU 22 HG LEU 22 2.982 9.372 2.301 190 1HD1 LEU 22 HD11 LEU 22 1.257 9.232 -0.155 191 2HD1 LEU 22 HD12 LEU 22 2.430 10.494 0.223 192 3HD1 LEU 22 HD13 LEU 22 1.005 10.282 1.239 193 1HD2 LEU 22 HD21 LEU 22 0.815 8.293 2.697 194 2HD2 LEU 22 HD22 LEU 22 2.156 7.153 2.816 195 3HD2 LEU 22 HD23 LEU 22 1.143 7.172 1.373 196 H ARG 23 HN ARG 23 5.661 7.800 -1.548 197 HA ARG 23 HA ARG 23 7.575 6.047 -0.359 198 1HB ARG 23 HB2 ARG 23 8.201 5.418 -2.622 199 2HB ARG 23 HB1 ARG 23 6.458 5.450 -2.461 200 1HG ARG 23 HG2 ARG 23 6.777 6.394 -4.532 201 2HG ARG 23 HG1 ARG 23 6.661 7.825 -3.505 202 1HD ARG 23 HD2 ARG 23 8.856 8.357 -3.767 203 2HD ARG 23 HD1 ARG 23 9.360 6.675 -3.905 204 HE ARG 23 HE ARG 23 8.185 6.903 -6.218 205 1HH1 ARG 23 HH11 ARG 23 10.054 9.376 -4.601 206 2HH1 ARG 23 HH12 ARG 23 10.661 10.068 -6.070 207 1HH2 ARG 23 HH21 ARG 23 9.011 7.785 -8.169 208 2HH2 ARG 23 HH22 ARG 23 10.060 9.179 -8.086 209 H ARG 24 HN ARG 24 7.556 9.276 -1.166 210 HA ARG 24 HA ARG 24 10.414 9.670 -1.280 211 1HB ARG 24 HB2 ARG 24 8.865 11.161 -2.405 212 2HB ARG 24 HB1 ARG 24 8.086 11.531 -0.874 213 1HG ARG 24 HG2 ARG 24 10.733 12.142 -0.445 214 2HG ARG 24 HG1 ARG 24 10.418 12.677 -2.100 215 1HD ARG 24 HD2 ARG 24 8.531 13.982 -1.391 216 2HD ARG 24 HD1 ARG 24 8.679 13.366 0.256 217 HE ARG 24 HE ARG 24 11.044 14.508 -0.016 218 1HH1 ARG 24 HH11 ARG 24 7.906 15.692 -1.035 219 2HH1 ARG 24 HH12 ARG 24 8.305 17.361 -0.794 220 1HH2 ARG 24 HH21 ARG 24 11.560 16.705 0.359 221 2HH2 ARG 24 HH22 ARG 24 10.374 17.938 0.029 222 H THR 25 HN THR 25 7.869 9.506 1.064 223 HA THR 25 HA THR 25 9.255 10.724 3.218 224 HB THR 25 HB THR 25 6.966 8.751 3.257 225 HG1 THR 25 HG1 THR 25 6.680 10.915 2.232 226 1HG2 THR 25 HG21 THR 25 6.549 9.661 5.534 227 2HG2 THR 25 HG22 THR 25 8.097 10.506 5.435 228 3HG2 THR 25 HG23 THR 25 8.049 8.743 5.403 229 H LEU 26 HN LEU 26 8.790 7.398 2.127 230 HA LEU 26 HA LEU 26 10.562 6.361 4.158 231 1HB LEU 26 HB2 LEU 26 9.675 4.911 1.679 232 2HB LEU 26 HB1 LEU 26 10.272 4.221 3.169 233 HG LEU 26 HG LEU 26 8.106 3.793 3.527 234 1HD1 LEU 26 HD11 LEU 26 6.918 5.415 4.828 235 2HD1 LEU 26 HD12 LEU 26 7.931 6.714 4.197 236 3HD1 LEU 26 HD13 LEU 26 8.631 5.471 5.239 237 1HD2 LEU 26 HD21 LEU 26 7.454 4.419 1.293 238 2HD2 LEU 26 HD22 LEU 26 7.351 6.109 1.788 239 3HD2 LEU 26 HD23 LEU 26 6.240 4.922 2.470 240 H GLY 27 HN GLY 27 10.826 7.765 1.092 241 1HA GLY 27 HA2 GLY 27 12.694 8.408 -0.083 242 2HA GLY 27 HA1 GLY 27 13.682 7.589 1.104 243 H ILE 28 HN ILE 28 11.213 5.663 -0.129 244 HA ILE 28 HA ILE 28 13.017 4.059 -1.724 245 HB ILE 28 HB ILE 28 11.103 2.568 -2.027 246 1HG1 ILE 28 HG12 ILE 28 9.493 4.537 -0.408 247 2HG1 ILE 28 HG11 ILE 28 9.425 4.414 -2.166 248 1HG2 ILE 28 HG21 ILE 28 10.728 1.959 0.320 249 2HG2 ILE 28 HG22 ILE 28 11.412 3.507 0.820 250 3HG2 ILE 28 HG23 ILE 28 12.423 2.322 -0.008 251 1HD1 ILE 28 HD11 ILE 28 7.596 3.205 -1.240 252 2HD1 ILE 28 HD12 ILE 28 8.672 2.303 -0.174 253 3HD1 ILE 28 HD13 ILE 28 8.749 2.057 -1.918 254 H ALA 29 HN ALA 29 10.904 3.268 -3.593 255 HA ALA 29 HA ALA 29 10.201 5.546 -5.157 256 1HB ALA 29 HB1 ALA 29 12.456 3.794 -6.131 257 2HB ALA 29 HB2 ALA 29 12.552 5.510 -5.735 258 3HB ALA 29 HB3 ALA 29 11.596 4.974 -7.119 259 H GLU 30 HN GLU 30 9.957 4.379 -7.618 260 HA GLU 30 HA GLU 30 7.741 2.612 -7.075 261 1HB GLU 30 HB2 GLU 30 7.439 2.822 -9.598 262 2HB GLU 30 HB1 GLU 30 7.287 4.308 -8.667 263 1HG GLU 30 HG2 GLU 30 9.887 3.525 -9.920 264 2HG GLU 30 HG1 GLU 30 8.640 4.358 -10.852 265 H LYS 31 HN LYS 31 10.938 2.494 -8.408 266 HA LYS 31 HA LYS 31 10.733 -0.204 -9.324 267 1HB LYS 31 HB2 LYS 31 13.223 1.373 -8.698 268 2HB LYS 31 HB1 LYS 31 13.100 -0.073 -9.691 269 1HG LYS 31 HG2 LYS 31 11.705 2.492 -10.368 270 2HG LYS 31 HG1 LYS 31 13.331 2.100 -10.934 271 1HD LYS 31 HD2 LYS 31 12.056 1.370 -12.708 272 2HD LYS 31 HD1 LYS 31 12.169 -0.108 -11.748 273 1HE LYS 31 HE2 LYS 31 9.993 0.460 -10.711 274 2HE LYS 31 HE1 LYS 31 9.874 1.850 -11.788 275 1HZ LYS 31 HZ1 LYS 31 8.620 0.050 -12.709 276 2HZ LYS 31 HZ2 LYS 31 9.920 -1.020 -12.563 277 3HZ LYS 31 HZ3 LYS 31 9.998 0.256 -13.674 278 H ASP 32 HN ASP 32 10.751 1.160 -6.322 279 HA ASP 32 HA ASP 32 12.395 -0.818 -5.023 280 1HB ASP 32 HB2 ASP 32 10.917 1.598 -4.097 281 2HB ASP 32 HB1 ASP 32 11.368 0.368 -2.921 282 H ALA 33 HN ALA 33 11.563 -2.070 -3.220 283 HA ALA 33 HA ALA 33 8.864 -3.078 -3.829 284 1HB ALA 33 HB1 ALA 33 10.650 -4.741 -4.070 285 2HB ALA 33 HB2 ALA 33 9.557 -5.163 -2.751 286 3HB ALA 33 HB3 ALA 33 11.141 -4.468 -2.399 287 H LEU 34 HN LEU 34 7.575 -3.691 -2.011 288 HA LEU 34 HA LEU 34 8.254 -2.315 0.497 289 1HB LEU 34 HB2 LEU 34 5.666 -2.269 -1.058 290 2HB LEU 34 HB1 LEU 34 5.749 -1.864 0.648 291 HG LEU 34 HG LEU 34 7.423 -0.421 -1.410 292 1HD1 LEU 34 HD11 LEU 34 4.681 0.348 -0.384 293 2HD1 LEU 34 HD12 LEU 34 5.039 -0.212 -2.018 294 3HD1 LEU 34 HD13 LEU 34 5.711 1.313 -1.442 295 1HD2 LEU 34 HD21 LEU 34 7.482 1.292 0.325 296 2HD2 LEU 34 HD22 LEU 34 8.077 -0.248 0.949 297 3HD2 LEU 34 HD23 LEU 34 6.449 0.302 1.359 298 H GLU 35 HN GLU 35 7.923 -3.546 2.221 299 HA GLU 35 HA GLU 35 7.127 -6.289 1.777 300 1HB GLU 35 HB2 GLU 35 9.239 -5.436 3.010 301 2HB GLU 35 HB1 GLU 35 8.146 -5.129 4.355 302 1HG GLU 35 HG2 GLU 35 7.570 -7.436 4.484 303 2HG GLU 35 HG1 GLU 35 8.451 -7.776 2.992 304 H ILE 36 HN ILE 36 4.983 -6.360 1.696 305 HA ILE 36 HA ILE 36 3.414 -4.644 3.446 306 HB ILE 36 HB ILE 36 2.592 -6.507 1.241 307 1HG1 ILE 36 HG12 ILE 36 2.106 -3.786 0.617 308 2HG1 ILE 36 HG11 ILE 36 3.757 -3.898 1.228 309 1HG2 ILE 36 HG21 ILE 36 0.456 -5.140 1.343 310 2HG2 ILE 36 HG22 ILE 36 1.025 -4.565 2.915 311 3HG2 ILE 36 HG23 ILE 36 0.723 -6.282 2.661 312 1HD1 ILE 36 HD11 ILE 36 3.693 -4.156 -1.182 313 2HD1 ILE 36 HD12 ILE 36 2.597 -5.529 -1.018 314 3HD1 ILE 36 HD13 ILE 36 4.246 -5.637 -0.398 315 H TYR 37 HN TYR 37 2.163 -5.215 5.022 316 HA TYR 37 HA TYR 37 1.650 -8.057 5.668 317 1HB TYR 37 HB2 TYR 37 1.997 -5.966 7.821 318 2HB TYR 37 HB1 TYR 37 2.052 -7.719 7.960 319 HD1 TYR 37 HD1 TYR 37 3.934 -4.694 7.417 320 HD2 TYR 37 HD2 TYR 37 4.104 -8.939 7.253 321 HE1 TYR 37 HE1 TYR 37 6.387 -4.590 7.488 322 HE2 TYR 37 HE2 TYR 37 6.560 -8.849 7.313 323 HH TYR 37 HH TYR 37 8.369 -7.267 6.808 324 H VAL 38 HN VAL 38 -0.137 -7.908 7.570 325 HA VAL 38 HA VAL 38 -1.937 -5.643 7.249 326 HB VAL 38 HB VAL 38 -2.684 -8.456 6.503 327 1HG1 VAL 38 HG11 VAL 38 -4.459 -6.315 7.649 328 2HG1 VAL 38 HG12 VAL 38 -4.388 -8.035 8.055 329 3HG1 VAL 38 HG13 VAL 38 -5.099 -7.522 6.524 330 1HG2 VAL 38 HG21 VAL 38 -2.068 -6.970 4.689 331 2HG2 VAL 38 HG22 VAL 38 -3.257 -5.784 5.233 332 3HG2 VAL 38 HG23 VAL 38 -3.789 -7.349 4.614 333 H ASP 39 HN ASP 39 -2.878 -5.114 9.089 334 HA ASP 39 HA ASP 39 -2.658 -6.989 11.347 335 1HB ASP 39 HB2 ASP 39 -1.149 -5.070 11.637 336 2HB ASP 39 HB1 ASP 39 -2.503 -3.966 11.417 337 H ASP 40 HN ASP 40 -4.497 -7.631 12.151 338 HA ASP 40 HA ASP 40 -6.681 -7.803 12.705 339 1HB ASP 40 HB2 ASP 40 -6.212 -5.307 13.457 340 2HB ASP 40 HB1 ASP 40 -7.247 -4.934 12.074 341 H GLU 41 HN GLU 41 -6.862 -5.198 10.344 342 HA GLU 41 HA GLU 41 -7.925 -6.926 8.287 343 1HB GLU 41 HB2 GLU 41 -10.017 -5.568 8.080 344 2HB GLU 41 HB1 GLU 41 -9.944 -6.538 9.545 345 1HG GLU 41 HG2 GLU 41 -9.367 -4.621 10.865 346 2HG GLU 41 HG1 GLU 41 -9.225 -3.624 9.414 347 H LYS 42 HN LYS 42 -5.738 -4.831 8.909 348 HA LYS 42 HA LYS 42 -6.261 -3.207 6.555 349 1HB LYS 42 HB2 LYS 42 -5.505 -1.192 7.665 350 2HB LYS 42 HB1 LYS 42 -6.826 -1.914 8.572 351 1HG LYS 42 HG2 LYS 42 -5.550 -1.686 10.371 352 2HG LYS 42 HG1 LYS 42 -4.575 -3.011 9.734 353 1HD LYS 42 HD2 LYS 42 -3.173 -1.370 8.548 354 2HD LYS 42 HD1 LYS 42 -4.122 -0.068 9.270 355 1HE LYS 42 HE2 LYS 42 -2.584 -2.142 10.817 356 2HE LYS 42 HE1 LYS 42 -1.996 -0.517 10.464 357 1HZ LYS 42 HZ1 LYS 42 -3.963 0.341 11.671 358 2HZ LYS 42 HZ2 LYS 42 -2.907 -0.554 12.652 359 3HZ LYS 42 HZ3 LYS 42 -4.354 -1.251 12.115 360 H ILE 43 HN ILE 43 -4.377 -2.096 5.708 361 HA ILE 43 HA ILE 43 -2.404 -4.213 5.355 362 HB ILE 43 HB ILE 43 -2.838 -1.735 3.695 363 1HG1 ILE 43 HG12 ILE 43 -4.030 -4.454 3.153 364 2HG1 ILE 43 HG11 ILE 43 -4.905 -3.198 4.019 365 1HG2 ILE 43 HG21 ILE 43 -1.726 -4.405 2.877 366 2HG2 ILE 43 HG22 ILE 43 -0.727 -3.061 3.433 367 3HG2 ILE 43 HG23 ILE 43 -1.705 -2.888 1.971 368 1HD1 ILE 43 HD11 ILE 43 -3.835 -2.978 1.220 369 2HD1 ILE 43 HD12 ILE 43 -4.737 -1.736 2.086 370 3HD1 ILE 43 HD13 ILE 43 -5.515 -3.262 1.670 371 H ILE 44 HN ILE 44 -0.228 -3.932 5.569 372 HA ILE 44 HA ILE 44 0.714 -1.358 6.670 373 HB ILE 44 HB ILE 44 2.288 -3.696 7.488 374 1HG1 ILE 44 HG12 ILE 44 0.016 -4.691 7.634 375 2HG1 ILE 44 HG11 ILE 44 0.808 -4.543 9.195 376 1HG2 ILE 44 HG21 ILE 44 1.082 -1.380 8.999 377 2HG2 ILE 44 HG22 ILE 44 2.712 -1.466 8.333 378 3HG2 ILE 44 HG23 ILE 44 2.244 -2.531 9.657 379 1HD1 ILE 44 HD11 ILE 44 -1.666 -3.969 9.003 380 2HD1 ILE 44 HD12 ILE 44 -1.121 -2.472 8.240 381 3HD1 ILE 44 HD13 ILE 44 -0.620 -2.855 9.889 382 H LEU 45 HN LEU 45 1.871 -0.536 4.976 383 HA LEU 45 HA LEU 45 3.588 -2.367 3.471 384 1HB LEU 45 HB2 LEU 45 2.498 0.367 2.956 385 2HB LEU 45 HB1 LEU 45 4.020 -0.076 2.195 386 HG LEU 45 HG LEU 45 2.883 -2.032 1.158 387 1HD1 LEU 45 HD11 LEU 45 1.059 -2.310 2.742 388 2HD1 LEU 45 HD12 LEU 45 0.430 -2.054 1.114 389 3HD1 LEU 45 HD13 LEU 45 0.402 -0.738 2.285 390 1HD2 LEU 45 HD21 LEU 45 1.659 0.664 0.573 391 2HD2 LEU 45 HD22 LEU 45 1.685 -0.721 -0.519 392 3HD2 LEU 45 HD23 LEU 45 3.194 0.067 -0.058 393 H LYS 46 HN LYS 46 5.427 -2.717 4.506 394 HA LYS 46 HA LYS 46 6.967 -0.419 5.521 395 1HB LYS 46 HB2 LYS 46 6.762 -2.571 6.867 396 2HB LYS 46 HB1 LYS 46 7.662 -3.370 5.590 397 1HG LYS 46 HG2 LYS 46 9.512 -1.713 6.011 398 2HG LYS 46 HG1 LYS 46 8.621 -1.219 7.456 399 1HD LYS 46 HD2 LYS 46 10.190 -2.831 8.177 400 2HD LYS 46 HD1 LYS 46 8.632 -3.663 8.116 401 1HE LYS 46 HE2 LYS 46 9.244 -4.477 5.836 402 2HE LYS 46 HE1 LYS 46 10.846 -3.785 6.079 403 1HZ LYS 46 HZ1 LYS 46 9.595 -5.914 7.727 404 2HZ LYS 46 HZ2 LYS 46 11.128 -5.239 8.007 405 3HZ LYS 46 HZ3 LYS 46 10.835 -6.134 6.595 406 H LYS 47 HN LYS 47 9.143 -0.156 4.694 407 HA LYS 47 HA LYS 47 9.328 -0.709 1.883 408 1HB LYS 47 HB2 LYS 47 11.436 0.433 1.941 409 2HB LYS 47 HB1 LYS 47 10.339 1.306 3.003 410 1HG LYS 47 HG2 LYS 47 11.398 0.482 4.940 411 2HG LYS 47 HG1 LYS 47 12.325 -0.708 4.019 412 1HD LYS 47 HD2 LYS 47 13.859 1.004 4.452 413 2HD LYS 47 HD1 LYS 47 13.325 1.317 2.799 414 1HE LYS 47 HE2 LYS 47 12.927 3.398 3.503 415 2HE LYS 47 HE1 LYS 47 11.502 2.711 4.287 416 1HZ LYS 47 HZ1 LYS 47 14.167 2.990 5.566 417 2HZ LYS 47 HZ2 LYS 47 12.744 2.455 6.319 418 3HZ LYS 47 HZ3 LYS 47 12.877 4.064 5.796 419 H TYR 48 HN TYR 48 10.710 -2.202 0.873 420 HA TYR 48 HA TYR 48 10.868 -4.687 2.142 421 1HB TYR 48 HB2 TYR 48 11.898 -5.472 0.167 422 2HB TYR 48 HB1 TYR 48 10.855 -4.151 -0.358 423 HD1 TYR 48 HD1 TYR 48 11.966 -1.845 -0.707 424 HD2 TYR 48 HD2 TYR 48 14.179 -5.469 -0.389 425 HE1 TYR 48 HE1 TYR 48 13.889 -0.759 -1.789 426 HE2 TYR 48 HE2 TYR 48 16.106 -4.392 -1.469 427 HH TYR 48 HH TYR 48 16.322 -1.017 -1.919 428 H LYS 49 HN LYS 49 12.545 -5.791 3.139 429 HA LYS 49 HA LYS 49 14.599 -4.253 4.323 430 1HB LYS 49 HB2 LYS 49 13.879 -7.126 4.266 431 2HB LYS 49 HB1 LYS 49 15.533 -6.707 4.702 432 1HG LYS 49 HG2 LYS 49 13.072 -5.607 6.034 433 2HG LYS 49 HG1 LYS 49 14.054 -6.939 6.652 434 1HD LYS 49 HD2 LYS 49 15.022 -4.127 6.152 435 2HD LYS 49 HD1 LYS 49 14.628 -4.816 7.733 436 1HE LYS 49 HE2 LYS 49 16.358 -6.508 7.417 437 2HE LYS 49 HE1 LYS 49 16.748 -5.821 5.844 438 1HZ LYS 49 HZ1 LYS 49 17.254 -3.703 7.053 439 2HZ LYS 49 HZ2 LYS 49 18.322 -4.980 7.370 440 3HZ LYS 49 HZ3 LYS 49 17.136 -4.568 8.506 441 HA PRO 50 HA PRO 50 17.226 -4.487 0.793 442 1HB PRO 50 HB2 PRO 50 18.837 -2.489 1.472 443 2HB PRO 50 HB1 PRO 50 17.150 -2.172 1.047 444 1HG PRO 50 HG2 PRO 50 18.413 -2.362 3.754 445 2HG PRO 50 HG1 PRO 50 17.243 -1.174 3.146 446 1HD PRO 50 HD2 PRO 50 16.576 -3.393 4.644 447 2HD PRO 50 HD1 PRO 50 15.473 -2.549 3.548 448 H ASN 51 HN ASN 51 17.637 -6.611 2.098 449 HA ASN 51 HA ASN 51 19.922 -6.686 3.783 450 1HB ASN 51 HB2 ASN 51 18.153 -8.288 4.088 451 2HB ASN 51 HB1 ASN 51 18.347 -8.883 2.443 452 1HD2 ASN 51 HD21 ASN 51 19.949 -10.339 1.992 453 2HD2 ASN 51 HD22 ASN 51 20.938 -11.065 3.212 454 H MET 52 HN MET 52 21.649 -5.860 2.703 455 HA MET 52 HA MET 52 22.709 -7.572 0.565 456 1HB MET 52 HB2 MET 52 23.971 -5.624 -0.255 457 2HB MET 52 HB1 MET 52 22.238 -5.340 -0.300 458 1HG MET 52 HG2 MET 52 22.366 -3.971 1.678 459 2HG MET 52 HG1 MET 52 24.082 -4.333 1.855 460 1HE MET 52 HE1 MET 52 25.932 -3.553 0.082 461 2HE MET 52 HE2 MET 52 25.557 -2.603 -1.357 462 3HE MET 52 HE3 MET 52 24.979 -4.262 -1.223 463 H THR 53 HN THR 53 24.430 -8.705 1.153 464 HA THR 53 HA THR 53 25.812 -7.874 3.602 465 HB THR 53 HB THR 53 25.954 -10.621 2.390 466 HG1 THR 53 HG1 THR 53 23.956 -10.917 2.999 467 1HG2 THR 53 HG21 THR 53 26.309 -9.597 5.209 468 2HG2 THR 53 HG22 THR 53 27.611 -10.037 4.107 469 3HG2 THR 53 HG23 THR 53 26.493 -11.272 4.687 470 1H MET 1 HT1 MET 1 -3.479 -15.074 4.376 471 2H MET 1 HT2 MET 1 -4.887 -15.909 3.949 472 3H MET 1 HT3 MET 1 -4.301 -15.996 5.537 473 HA MET 1 HA MET 1 -5.443 -13.627 4.178 474 1HB MET 1 HB2 MET 1 -6.324 -15.198 6.613 475 2HB MET 1 HB1 MET 1 -7.107 -13.745 6.007 476 1HG MET 1 HG2 MET 1 -6.852 -16.337 4.499 477 2HG MET 1 HG1 MET 1 -8.284 -15.805 5.378 478 1HE MET 1 HE1 MET 1 -8.547 -12.781 4.807 479 2HE MET 1 HE2 MET 1 -9.893 -13.902 4.604 480 3HE MET 1 HE3 MET 1 -9.500 -12.751 3.326 481 H LYS 2 HN LYS 2 -5.735 -11.803 5.747 482 HA LYS 2 HA LYS 2 -4.859 -10.204 7.089 483 1HB LYS 2 HB2 LYS 2 -5.101 -12.157 8.745 484 2HB LYS 2 HB1 LYS 2 -3.357 -12.305 8.613 485 1HG LYS 2 HG2 LYS 2 -3.232 -9.870 9.263 486 2HG LYS 2 HG1 LYS 2 -4.949 -9.980 9.656 487 1HD LYS 2 HD2 LYS 2 -3.744 -10.307 11.680 488 2HD LYS 2 HD1 LYS 2 -4.364 -11.886 11.191 489 1HE LYS 2 HE2 LYS 2 -2.231 -12.545 10.354 490 2HE LYS 2 HE1 LYS 2 -1.586 -10.915 10.548 491 1HZ LYS 2 HZ1 LYS 2 -1.929 -11.178 12.972 492 2HZ LYS 2 HZ2 LYS 2 -0.808 -12.275 12.334 493 3HZ LYS 2 HZ3 LYS 2 -2.377 -12.794 12.717 494 H SER 3 HN SER 3 -2.137 -10.411 8.370 495 HA SER 3 HA SER 3 -0.467 -9.340 6.450 496 1HB SER 3 HB2 SER 3 0.012 -10.854 8.992 497 2HB SER 3 HB1 SER 3 1.388 -10.464 7.965 498 HG SER 3 HG SER 3 0.745 -8.939 9.708 499 H THR 4 HN THR 4 0.776 -10.055 4.911 500 HA THR 4 HA THR 4 1.016 -12.949 4.585 501 HB THR 4 HB THR 4 1.676 -12.322 2.195 502 HG1 THR 4 HG1 THR 4 1.933 -10.016 2.839 503 1HG2 THR 4 HG21 THR 4 -1.119 -11.665 3.133 504 2HG2 THR 4 HG22 THR 4 -0.502 -13.282 2.797 505 3HG2 THR 4 HG23 THR 4 -0.654 -12.107 1.491 506 H GLY 5 HN GLY 5 2.716 -9.949 4.976 507 1HA GLY 5 HA2 GLY 5 4.944 -9.465 5.287 508 2HA GLY 5 HA1 GLY 5 5.217 -11.194 5.521 509 H ILE 6 HN ILE 6 3.992 -9.291 2.840 510 HA ILE 6 HA ILE 6 5.740 -10.822 1.040 511 HB ILE 6 HB ILE 6 2.851 -10.637 1.214 512 1HG1 ILE 6 HG12 ILE 6 2.975 -12.521 -0.383 513 2HG1 ILE 6 HG11 ILE 6 4.683 -12.193 -0.646 514 1HG2 ILE 6 HG21 ILE 6 4.001 -9.902 -1.491 515 2HG2 ILE 6 HG22 ILE 6 3.059 -8.840 -0.446 516 3HG2 ILE 6 HG23 ILE 6 2.315 -10.278 -1.144 517 1HD1 ILE 6 HD11 ILE 6 3.410 -13.078 1.931 518 2HD1 ILE 6 HD12 ILE 6 5.118 -12.693 1.716 519 3HD1 ILE 6 HD13 ILE 6 4.406 -14.056 0.852 520 H VAL 7 HN VAL 7 7.024 -9.585 -0.251 521 HA VAL 7 HA VAL 7 6.522 -6.706 -0.168 522 HB VAL 7 HB VAL 7 8.720 -6.294 -0.768 523 1HG1 VAL 7 HG11 VAL 7 10.133 -7.810 0.649 524 2HG1 VAL 7 HG12 VAL 7 8.680 -8.773 0.920 525 3HG1 VAL 7 HG13 VAL 7 8.735 -7.088 1.448 526 1HG2 VAL 7 HG21 VAL 7 8.916 -9.113 -1.805 527 2HG2 VAL 7 HG22 VAL 7 10.296 -8.030 -1.630 528 3HG2 VAL 7 HG23 VAL 7 8.986 -7.611 -2.732 529 H ARG 8 HN ARG 8 6.179 -5.452 -1.969 530 HA ARG 8 HA ARG 8 6.103 -6.798 -4.578 531 1HB ARG 8 HB2 ARG 8 3.905 -5.113 -3.379 532 2HB ARG 8 HB1 ARG 8 4.020 -5.463 -5.101 533 1HG ARG 8 HG2 ARG 8 3.736 -7.499 -2.909 534 2HG ARG 8 HG1 ARG 8 2.476 -6.980 -4.039 535 1HD ARG 8 HD2 ARG 8 3.873 -7.729 -5.905 536 2HD ARG 8 HD1 ARG 8 5.085 -8.302 -4.759 537 HE ARG 8 HE ARG 8 2.415 -9.465 -5.200 538 1HH1 ARG 8 HH11 ARG 8 5.580 -9.645 -3.706 539 2HH1 ARG 8 HH12 ARG 8 5.445 -11.339 -3.330 540 1HH2 ARG 8 HH21 ARG 8 2.230 -11.669 -4.730 541 2HH2 ARG 8 HH22 ARG 8 3.530 -12.497 -3.924 542 H LYS 9 HN LYS 9 6.277 -5.421 -6.391 543 HA LYS 9 HA LYS 9 8.039 -3.173 -5.911 544 1HB LYS 9 HB2 LYS 9 6.892 -4.122 -8.545 545 2HB LYS 9 HB1 LYS 9 8.297 -3.097 -8.314 546 1HG LYS 9 HG2 LYS 9 8.447 -5.719 -7.006 547 2HG LYS 9 HG1 LYS 9 8.387 -5.760 -8.766 548 1HD LYS 9 HD2 LYS 9 10.676 -5.693 -8.214 549 2HD LYS 9 HD1 LYS 9 10.272 -4.055 -8.728 550 1HE LYS 9 HE2 LYS 9 10.138 -3.335 -6.422 551 2HE LYS 9 HE1 LYS 9 10.423 -4.983 -5.862 552 1HZ LYS 9 HZ1 LYS 9 12.599 -4.860 -7.069 553 2HZ LYS 9 HZ2 LYS 9 12.472 -3.850 -5.720 554 3HZ LYS 9 HZ3 LYS 9 12.324 -3.198 -7.277 555 H VAL 10 HN VAL 10 7.683 -1.051 -6.719 556 HA VAL 10 HA VAL 10 4.893 -0.268 -6.315 557 HB VAL 10 HB VAL 10 7.351 1.492 -6.395 558 1HG1 VAL 10 HG11 VAL 10 5.981 3.095 -5.161 559 2HG1 VAL 10 HG12 VAL 10 4.601 2.002 -5.265 560 3HG1 VAL 10 HG13 VAL 10 5.271 2.719 -6.730 561 1HG2 VAL 10 HG21 VAL 10 7.564 -0.186 -4.644 562 2HG2 VAL 10 HG22 VAL 10 5.975 0.256 -4.016 563 3HG2 VAL 10 HG23 VAL 10 7.303 1.417 -3.956 564 H ASP 11 HN ASP 11 6.243 -1.304 -8.883 565 HA ASP 11 HA ASP 11 5.769 -1.151 -11.091 566 1HB ASP 11 HB2 ASP 11 3.467 -0.554 -10.118 567 2HB ASP 11 HB1 ASP 11 3.910 1.125 -10.400 568 H GLU 12 HN GLU 12 4.994 1.455 -12.326 569 HA GLU 12 HA GLU 12 7.574 2.864 -12.105 570 1HB GLU 12 HB2 GLU 12 6.408 3.696 -14.472 571 2HB GLU 12 HB1 GLU 12 7.721 2.531 -14.324 572 1HG GLU 12 HG2 GLU 12 5.010 1.456 -13.994 573 2HG GLU 12 HG1 GLU 12 5.403 2.075 -15.600 574 H LEU 13 HN LEU 13 4.122 3.145 -12.626 575 HA LEU 13 HA LEU 13 4.116 5.998 -12.558 576 1HB LEU 13 HB2 LEU 13 1.964 3.909 -12.534 577 2HB LEU 13 HB1 LEU 13 1.571 5.601 -12.280 578 HG LEU 13 HG LEU 13 1.203 5.035 -14.594 579 1HD1 LEU 13 HD11 LEU 13 2.040 7.266 -14.150 580 2HD1 LEU 13 HD12 LEU 13 2.667 6.668 -15.686 581 3HD1 LEU 13 HD13 LEU 13 3.701 6.684 -14.259 582 1HD2 LEU 13 HD21 LEU 13 2.966 4.229 -16.053 583 2HD2 LEU 13 HD22 LEU 13 2.719 3.107 -14.714 584 3HD2 LEU 13 HD23 LEU 13 4.104 4.202 -14.703 585 H GLY 14 HN GLY 14 4.162 3.590 -10.148 586 1HA GLY 14 HA2 GLY 14 4.920 4.418 -7.972 587 2HA GLY 14 HA1 GLY 14 3.744 5.715 -8.137 588 H ARG 15 HN ARG 15 2.638 2.752 -9.269 589 HA ARG 15 HA ARG 15 0.952 2.491 -6.925 590 1HB ARG 15 HB2 ARG 15 -0.413 1.063 -8.456 591 2HB ARG 15 HB1 ARG 15 -0.255 2.739 -8.946 592 1HG ARG 15 HG2 ARG 15 1.834 1.590 -10.248 593 2HG ARG 15 HG1 ARG 15 0.636 0.287 -10.256 594 1HD ARG 15 HD2 ARG 15 -0.964 1.653 -11.350 595 2HD ARG 15 HD1 ARG 15 0.028 3.099 -11.121 596 HE ARG 15 HE ARG 15 1.690 1.604 -12.557 597 1HH1 ARG 15 HH11 ARG 15 -1.763 2.066 -13.024 598 2HH1 ARG 15 HH12 ARG 15 -1.669 1.904 -14.754 599 1HH2 ARG 15 HH21 ARG 15 1.806 1.381 -14.800 600 2HH2 ARG 15 HH22 ARG 15 0.372 1.527 -15.773 601 H VAL 16 HN VAL 16 1.353 0.936 -5.474 602 HA VAL 16 HA VAL 16 3.265 -1.161 -6.108 603 HB VAL 16 HB VAL 16 3.143 0.007 -3.828 604 1HG1 VAL 16 HG11 VAL 16 0.806 -1.829 -3.444 605 2HG1 VAL 16 HG12 VAL 16 0.752 -0.067 -3.503 606 3HG1 VAL 16 HG13 VAL 16 1.600 -0.878 -2.183 607 1HG2 VAL 16 HG21 VAL 16 3.035 -2.999 -3.862 608 2HG2 VAL 16 HG22 VAL 16 3.771 -1.997 -2.610 609 3HG2 VAL 16 HG23 VAL 16 4.451 -2.017 -4.238 610 H VAL 17 HN VAL 17 2.691 -3.176 -6.758 611 HA VAL 17 HA VAL 17 -0.101 -3.626 -7.243 612 HB VAL 17 HB VAL 17 2.113 -5.633 -7.618 613 1HG1 VAL 17 HG11 VAL 17 -0.611 -5.377 -8.869 614 2HG1 VAL 17 HG12 VAL 17 -0.119 -6.577 -7.674 615 3HG1 VAL 17 HG13 VAL 17 0.596 -6.594 -9.287 616 1HG2 VAL 17 HG21 VAL 17 2.659 -3.564 -8.814 617 2HG2 VAL 17 HG22 VAL 17 1.082 -3.615 -9.607 618 3HG2 VAL 17 HG23 VAL 17 2.272 -4.876 -9.926 619 H ILE 18 HN ILE 18 -0.935 -3.585 -5.194 620 HA ILE 18 HA ILE 18 -0.106 -5.331 -3.150 621 HB ILE 18 HB ILE 18 -1.234 -3.527 -2.325 622 1HG1 ILE 18 HG12 ILE 18 -3.430 -5.591 -2.398 623 2HG1 ILE 18 HG11 ILE 18 -2.018 -5.692 -1.346 624 1HG2 ILE 18 HG21 ILE 18 -3.410 -2.700 -3.078 625 2HG2 ILE 18 HG22 ILE 18 -3.444 -3.961 -4.310 626 3HG2 ILE 18 HG23 ILE 18 -2.214 -2.699 -4.375 627 1HD1 ILE 18 HD11 ILE 18 -4.078 -3.500 -1.317 628 2HD1 ILE 18 HD12 ILE 18 -2.682 -3.631 -0.241 629 3HD1 ILE 18 HD13 ILE 18 -3.969 -4.837 -0.173 630 HA PRO 19 HA PRO 19 -1.545 -9.033 -5.043 631 1HB PRO 19 HB2 PRO 19 -1.864 -9.926 -2.224 632 2HB PRO 19 HB1 PRO 19 -1.036 -10.723 -3.572 633 1HG PRO 19 HG2 PRO 19 0.371 -9.473 -1.686 634 2HG PRO 19 HG1 PRO 19 0.850 -9.369 -3.390 635 1HD PRO 19 HD2 PRO 19 -0.506 -7.340 -1.674 636 2HD PRO 19 HD1 PRO 19 0.688 -7.110 -2.967 637 H ILE 20 HN ILE 20 -3.443 -9.801 -5.670 638 HA ILE 20 HA ILE 20 -5.886 -8.683 -5.047 639 HB ILE 20 HB ILE 20 -6.915 -10.632 -6.126 640 1HG1 ILE 20 HG12 ILE 20 -4.955 -12.226 -7.111 641 2HG1 ILE 20 HG11 ILE 20 -4.268 -11.836 -5.532 642 1HG2 ILE 20 HG21 ILE 20 -4.416 -9.693 -7.522 643 2HG2 ILE 20 HG22 ILE 20 -5.942 -8.815 -7.446 644 3HG2 ILE 20 HG23 ILE 20 -5.857 -10.362 -8.290 645 1HD1 ILE 20 HD11 ILE 20 -6.176 -12.736 -4.409 646 2HD1 ILE 20 HD12 ILE 20 -5.575 -13.928 -5.565 647 3HD1 ILE 20 HD13 ILE 20 -7.016 -12.982 -5.943 648 H GLU 21 HN GLU 21 -4.146 -11.199 -3.484 649 HA GLU 21 HA GLU 21 -6.252 -12.445 -2.090 650 1HB GLU 21 HB2 GLU 21 -3.557 -12.415 -0.880 651 2HB GLU 21 HB1 GLU 21 -4.621 -13.769 -1.245 652 1HG GLU 21 HG2 GLU 21 -4.044 -13.555 -3.632 653 2HG GLU 21 HG1 GLU 21 -2.923 -12.257 -3.219 654 H LEU 22 HN LEU 22 -4.003 -9.837 -1.293 655 HA LEU 22 HA LEU 22 -4.934 -9.599 1.372 656 1HB LEU 22 HB2 LEU 22 -3.258 -7.866 -0.394 657 2HB LEU 22 HB1 LEU 22 -3.773 -7.306 1.190 658 HG LEU 22 HG LEU 22 -2.787 -9.581 1.998 659 1HD1 LEU 22 HD11 LEU 22 -1.294 -9.161 -0.577 660 2HD1 LEU 22 HD12 LEU 22 -2.351 -10.517 -0.179 661 3HD1 LEU 22 HD13 LEU 22 -0.841 -10.288 0.702 662 1HD2 LEU 22 HD21 LEU 22 -0.631 -8.495 2.371 663 2HD2 LEU 22 HD22 LEU 22 -1.965 -7.375 2.647 664 3HD2 LEU 22 HD23 LEU 22 -1.027 -7.280 1.156 665 H ARG 23 HN ARG 23 -5.715 -7.886 -1.658 666 HA ARG 23 HA ARG 23 -7.518 -6.091 -0.368 667 1HB ARG 23 HB2 ARG 23 -8.225 -5.431 -2.565 668 2HB ARG 23 HB1 ARG 23 -6.491 -5.683 -2.628 669 1HG ARG 23 HG2 ARG 23 -7.226 -6.630 -4.597 670 2HG ARG 23 HG1 ARG 23 -7.098 -8.030 -3.524 671 1HD ARG 23 HD2 ARG 23 -9.463 -8.021 -3.133 672 2HD ARG 23 HD1 ARG 23 -9.654 -6.486 -3.966 673 HE ARG 23 HE ARG 23 -8.581 -8.342 -5.765 674 1HH1 ARG 23 HH11 ARG 23 -11.551 -7.684 -4.018 675 2HH1 ARG 23 HH12 ARG 23 -12.560 -8.517 -5.167 676 1HH2 ARG 23 HH21 ARG 23 -9.903 -9.416 -7.277 677 2HH2 ARG 23 HH22 ARG 23 -11.624 -9.474 -7.032 678 H ARG 24 HN ARG 24 -7.621 -9.327 -1.391 679 HA ARG 24 HA ARG 24 -10.437 -9.722 -1.379 680 1HB ARG 24 HB2 ARG 24 -8.866 -11.232 -2.524 681 2HB ARG 24 HB1 ARG 24 -8.114 -11.628 -0.987 682 1HG ARG 24 HG2 ARG 24 -11.022 -12.159 -1.410 683 2HG ARG 24 HG1 ARG 24 -9.809 -13.263 -2.062 684 1HD ARG 24 HD2 ARG 24 -8.873 -13.585 0.149 685 2HD ARG 24 HD1 ARG 24 -9.998 -12.401 0.814 686 HE ARG 24 HE ARG 24 -11.801 -13.992 0.181 687 1HH1 ARG 24 HH11 ARG 24 -8.528 -15.198 0.515 688 2HH1 ARG 24 HH12 ARG 24 -9.031 -16.788 0.996 689 1HH2 ARG 24 HH21 ARG 24 -12.466 -16.068 0.812 690 2HH2 ARG 24 HH22 ARG 24 -11.281 -17.284 1.175 691 H THR 25 HN THR 25 -7.863 -9.640 0.923 692 HA THR 25 HA THR 25 -9.261 -10.861 3.067 693 HB THR 25 HB THR 25 -6.853 -9.041 3.086 694 HG1 THR 25 HG1 THR 25 -6.930 -11.304 2.037 695 1HG2 THR 25 HG21 THR 25 -8.008 -10.791 5.258 696 2HG2 THR 25 HG22 THR 25 -7.862 -9.030 5.275 697 3HG2 THR 25 HG23 THR 25 -6.414 -10.039 5.319 698 H LEU 26 HN LEU 26 -8.808 -7.540 1.983 699 HA LEU 26 HA LEU 26 -10.239 -6.499 4.279 700 1HB LEU 26 HB2 LEU 26 -9.501 -4.971 1.799 701 2HB LEU 26 HB1 LEU 26 -9.930 -4.324 3.365 702 HG LEU 26 HG LEU 26 -7.737 -4.058 3.626 703 1HD1 LEU 26 HD11 LEU 26 -6.481 -5.902 4.563 704 2HD1 LEU 26 HD12 LEU 26 -7.688 -7.043 3.966 705 3HD1 LEU 26 HD13 LEU 26 -8.123 -5.861 5.203 706 1HD2 LEU 26 HD21 LEU 26 -7.276 -4.395 1.309 707 2HD2 LEU 26 HD22 LEU 26 -7.276 -6.146 1.533 708 3HD2 LEU 26 HD23 LEU 26 -6.021 -5.160 2.284 709 H GLY 27 HN GLY 27 -11.012 -7.636 1.160 710 1HA GLY 27 HA2 GLY 27 -13.168 -8.073 0.378 711 2HA GLY 27 HA1 GLY 27 -13.812 -6.976 1.590 712 H ILE 28 HN ILE 28 -11.214 -5.594 0.037 713 HA ILE 28 HA ILE 28 -12.940 -3.827 -1.499 714 HB ILE 28 HB ILE 28 -10.956 -2.461 -1.826 715 1HG1 ILE 28 HG12 ILE 28 -9.428 -4.574 -0.307 716 2HG1 ILE 28 HG11 ILE 28 -9.375 -4.357 -2.059 717 1HG2 ILE 28 HG21 ILE 28 -12.190 -2.166 0.242 718 2HG2 ILE 28 HG22 ILE 28 -10.469 -1.891 0.503 719 3HG2 ILE 28 HG23 ILE 28 -11.208 -3.405 1.025 720 1HD1 ILE 28 HD11 ILE 28 -8.568 -2.055 -1.684 721 2HD1 ILE 28 HD12 ILE 28 -7.467 -3.309 -1.107 722 3HD1 ILE 28 HD13 ILE 28 -8.469 -2.414 0.040 723 H ALA 29 HN ALA 29 -10.916 -3.147 -3.413 724 HA ALA 29 HA ALA 29 -10.301 -5.392 -5.052 725 1HB ALA 29 HB1 ALA 29 -12.617 -3.651 -5.909 726 2HB ALA 29 HB2 ALA 29 -12.723 -5.345 -5.428 727 3HB ALA 29 HB3 ALA 29 -11.845 -4.896 -6.891 728 H GLU 30 HN GLU 30 -9.972 -4.396 -7.417 729 HA GLU 30 HA GLU 30 -7.835 -2.562 -7.139 730 1HB GLU 30 HB2 GLU 30 -7.835 -2.719 -9.667 731 2HB GLU 30 HB1 GLU 30 -7.758 -4.271 -8.842 732 1HG GLU 30 HG2 GLU 30 -10.362 -4.195 -9.072 733 2HG GLU 30 HG1 GLU 30 -10.021 -3.042 -10.361 734 H LYS 31 HN LYS 31 -11.147 -2.298 -8.148 735 HA LYS 31 HA LYS 31 -10.928 0.426 -9.021 736 1HB LYS 31 HB2 LYS 31 -13.454 -1.040 -8.309 737 2HB LYS 31 HB1 LYS 31 -13.250 0.294 -9.437 738 1HG LYS 31 HG2 LYS 31 -11.867 -2.300 -9.905 739 2HG LYS 31 HG1 LYS 31 -13.565 -2.107 -10.343 740 1HD LYS 31 HD2 LYS 31 -12.342 -1.618 -12.297 741 2HD LYS 31 HD1 LYS 31 -12.821 -0.050 -11.645 742 1HE LYS 31 HE2 LYS 31 -10.612 0.235 -10.668 743 2HE LYS 31 HE1 LYS 31 -10.135 -1.360 -11.245 744 1HZ LYS 31 HZ1 LYS 31 -9.304 0.351 -12.712 745 2HZ LYS 31 HZ2 LYS 31 -10.863 0.966 -12.938 746 3HZ LYS 31 HZ3 LYS 31 -10.470 -0.578 -13.522 747 H ASP 32 HN ASP 32 -10.839 -1.021 -6.075 748 HA ASP 32 HA ASP 32 -12.453 0.897 -4.672 749 1HB ASP 32 HB2 ASP 32 -11.093 -1.621 -3.931 750 2HB ASP 32 HB1 ASP 32 -11.416 -0.450 -2.652 751 H ALA 33 HN ALA 33 -11.615 2.051 -2.815 752 HA ALA 33 HA ALA 33 -8.936 3.083 -3.448 753 1HB ALA 33 HB1 ALA 33 -11.186 4.462 -1.962 754 2HB ALA 33 HB2 ALA 33 -10.759 4.734 -3.652 755 3HB ALA 33 HB3 ALA 33 -9.620 5.169 -2.375 756 H LEU 34 HN LEU 34 -7.619 3.673 -1.650 757 HA LEU 34 HA LEU 34 -8.215 2.244 0.856 758 1HB LEU 34 HB2 LEU 34 -5.704 2.209 -0.824 759 2HB LEU 34 HB1 LEU 34 -5.688 1.800 0.880 760 HG LEU 34 HG LEU 34 -7.533 0.361 -1.012 761 1HD1 LEU 34 HD11 LEU 34 -4.658 -0.356 -0.399 762 2HD1 LEU 34 HD12 LEU 34 -5.258 0.224 -1.951 763 3HD1 LEU 34 HD13 LEU 34 -5.803 -1.330 -1.319 764 1HD2 LEU 34 HD21 LEU 34 -7.300 -1.394 0.680 765 2HD2 LEU 34 HD22 LEU 34 -7.858 0.114 1.406 766 3HD2 LEU 34 HD23 LEU 34 -6.170 -0.384 1.587 767 H GLU 35 HN GLU 35 -7.875 3.517 2.580 768 HA GLU 35 HA GLU 35 -6.923 6.204 2.099 769 1HB GLU 35 HB2 GLU 35 -9.059 5.585 3.381 770 2HB GLU 35 HB1 GLU 35 -7.983 5.129 4.698 771 1HG GLU 35 HG2 GLU 35 -7.107 7.348 4.823 772 2HG GLU 35 HG1 GLU 35 -8.002 7.819 3.380 773 H ILE 36 HN ILE 36 -4.824 6.257 2.032 774 HA ILE 36 HA ILE 36 -3.265 4.443 3.690 775 HB ILE 36 HB ILE 36 -2.473 6.343 1.504 776 1HG1 ILE 36 HG12 ILE 36 -1.959 3.660 0.822 777 2HG1 ILE 36 HG11 ILE 36 -3.580 3.696 1.516 778 1HG2 ILE 36 HG21 ILE 36 -0.838 4.384 3.099 779 2HG2 ILE 36 HG22 ILE 36 -0.568 6.114 2.899 780 3HG2 ILE 36 HG23 ILE 36 -0.318 5.021 1.538 781 1HD1 ILE 36 HD11 ILE 36 -3.659 3.988 -0.884 782 2HD1 ILE 36 HD12 ILE 36 -2.589 5.386 -0.767 783 3HD1 ILE 36 HD13 ILE 36 -4.205 5.450 -0.059 784 H TYR 37 HN TYR 37 -1.940 4.946 5.245 785 HA TYR 37 HA TYR 37 -1.428 7.758 6.006 786 1HB TYR 37 HB2 TYR 37 -1.715 5.547 8.040 787 2HB TYR 37 HB1 TYR 37 -1.732 7.286 8.293 788 HD1 TYR 37 HD1 TYR 37 -3.706 4.340 7.618 789 HD2 TYR 37 HD2 TYR 37 -3.762 8.591 7.720 790 HE1 TYR 37 HE1 TYR 37 -6.162 4.299 7.740 791 HE2 TYR 37 HE2 TYR 37 -6.217 8.561 7.833 792 HH TYR 37 HH TYR 37 -8.072 7.048 7.237 793 H VAL 38 HN VAL 38 0.405 7.555 7.829 794 HA VAL 38 HA VAL 38 2.191 5.296 7.406 795 HB VAL 38 HB VAL 38 2.962 8.134 6.789 796 1HG1 VAL 38 HG11 VAL 38 4.772 5.951 7.760 797 2HG1 VAL 38 HG12 VAL 38 4.619 7.601 8.369 798 3HG1 VAL 38 HG13 VAL 38 5.355 7.307 6.793 799 1HG2 VAL 38 HG21 VAL 38 2.337 6.745 4.912 800 2HG2 VAL 38 HG22 VAL 38 3.503 5.519 5.409 801 3HG2 VAL 38 HG23 VAL 38 4.065 7.097 4.856 802 H ASP 39 HN ASP 39 3.266 4.725 9.165 803 HA ASP 39 HA ASP 39 2.994 6.384 11.584 804 1HB ASP 39 HB2 ASP 39 1.577 4.388 11.735 805 2HB ASP 39 HB1 ASP 39 2.958 3.367 11.353 806 H ASP 40 HN ASP 40 4.842 7.196 12.149 807 HA ASP 40 HA ASP 40 7.009 7.406 12.741 808 1HB ASP 40 HB2 ASP 40 6.563 5.003 13.612 809 2HB ASP 40 HB1 ASP 40 7.488 4.485 12.203 810 H GLU 41 HN GLU 41 7.108 4.803 10.366 811 HA GLU 41 HA GLU 41 8.237 6.478 8.314 812 1HB GLU 41 HB2 GLU 41 10.321 5.072 8.179 813 2HB GLU 41 HB1 GLU 41 10.237 6.126 9.585 814 1HG GLU 41 HG2 GLU 41 9.384 4.164 10.892 815 2HG GLU 41 HG1 GLU 41 9.750 3.162 9.485 816 H LYS 42 HN LYS 42 6.003 4.463 8.916 817 HA LYS 42 HA LYS 42 6.507 2.800 6.572 818 1HB LYS 42 HB2 LYS 42 5.858 0.803 7.620 819 2HB LYS 42 HB1 LYS 42 6.852 1.602 8.828 820 1HG LYS 42 HG2 LYS 42 4.773 2.455 9.889 821 2HG LYS 42 HG1 LYS 42 3.852 1.459 8.759 822 1HD LYS 42 HD2 LYS 42 5.011 -0.541 9.622 823 2HD LYS 42 HD1 LYS 42 5.870 0.478 10.780 824 1HE LYS 42 HE2 LYS 42 3.578 1.216 11.591 825 2HE LYS 42 HE1 LYS 42 2.930 -0.123 10.638 826 1HZ LYS 42 HZ1 LYS 42 5.065 -0.546 12.638 827 2HZ LYS 42 HZ2 LYS 42 3.992 -1.689 11.977 828 3HZ LYS 42 HZ3 LYS 42 3.434 -0.532 13.085 829 H ILE 43 HN ILE 43 4.609 1.830 5.639 830 HA ILE 43 HA ILE 43 2.626 3.955 5.409 831 HB ILE 43 HB ILE 43 3.099 1.559 3.638 832 1HG1 ILE 43 HG12 ILE 43 4.059 4.354 3.075 833 2HG1 ILE 43 HG11 ILE 43 5.056 3.211 3.974 834 1HG2 ILE 43 HG21 ILE 43 1.355 3.949 3.489 835 2HG2 ILE 43 HG22 ILE 43 1.061 2.287 2.967 836 3HG2 ILE 43 HG23 ILE 43 2.079 3.351 1.992 837 1HD1 ILE 43 HD11 ILE 43 4.001 2.837 1.181 838 2HD1 ILE 43 HD12 ILE 43 4.973 1.671 2.079 839 3HD1 ILE 43 HD13 ILE 43 5.660 3.233 1.634 840 H ILE 44 HN ILE 44 0.462 3.664 5.671 841 HA ILE 44 HA ILE 44 -0.442 1.048 6.708 842 HB ILE 44 HB ILE 44 -1.966 3.370 7.656 843 1HG1 ILE 44 HG12 ILE 44 0.356 4.296 7.729 844 2HG1 ILE 44 HG11 ILE 44 -0.413 4.170 9.305 845 1HG2 ILE 44 HG21 ILE 44 -1.866 2.141 9.768 846 2HG2 ILE 44 HG22 ILE 44 -0.729 1.005 9.042 847 3HG2 ILE 44 HG23 ILE 44 -2.377 1.118 8.425 848 1HD1 ILE 44 HD11 ILE 44 1.440 2.045 8.297 849 2HD1 ILE 44 HD12 ILE 44 0.969 2.411 9.960 850 3HD1 ILE 44 HD13 ILE 44 2.038 3.510 9.076 851 H LEU 45 HN LEU 45 -1.657 0.279 5.028 852 HA LEU 45 HA LEU 45 -3.416 2.149 3.625 853 1HB LEU 45 HB2 LEU 45 -2.379 -0.590 3.027 854 2HB LEU 45 HB1 LEU 45 -3.933 -0.124 2.346 855 HG LEU 45 HG LEU 45 -2.838 1.834 1.277 856 1HD1 LEU 45 HD11 LEU 45 -0.402 1.904 1.145 857 2HD1 LEU 45 HD12 LEU 45 -0.298 0.542 2.261 858 3HD1 LEU 45 HD13 LEU 45 -0.959 2.083 2.809 859 1HD2 LEU 45 HD21 LEU 45 -3.192 -0.265 0.059 860 2HD2 LEU 45 HD22 LEU 45 -1.614 -0.841 0.597 861 3HD2 LEU 45 HD23 LEU 45 -1.724 0.558 -0.471 862 H LYS 46 HN LYS 46 -5.235 2.495 4.710 863 HA LYS 46 HA LYS 46 -6.752 0.168 5.709 864 1HB LYS 46 HB2 LYS 46 -6.446 2.242 7.154 865 2HB LYS 46 HB1 LYS 46 -7.404 3.113 5.971 866 1HG LYS 46 HG2 LYS 46 -9.256 1.491 6.393 867 2HG LYS 46 HG1 LYS 46 -8.293 0.836 7.721 868 1HD LYS 46 HD2 LYS 46 -9.757 2.401 8.707 869 2HD LYS 46 HD1 LYS 46 -8.191 3.211 8.607 870 1HE LYS 46 HE2 LYS 46 -8.927 4.295 6.514 871 2HE LYS 46 HE1 LYS 46 -10.513 3.553 6.717 872 1HZ LYS 46 HZ1 LYS 46 -9.226 5.524 8.521 873 2HZ LYS 46 HZ2 LYS 46 -10.683 4.732 8.869 874 3HZ LYS 46 HZ3 LYS 46 -10.585 5.784 7.546 875 H LYS 47 HN LYS 47 -8.935 -0.076 4.940 876 HA LYS 47 HA LYS 47 -9.347 0.556 2.198 877 1HB LYS 47 HB2 LYS 47 -11.691 -0.189 2.610 878 2HB LYS 47 HB1 LYS 47 -10.516 -1.331 3.249 879 1HG LYS 47 HG2 LYS 47 -10.833 -0.338 5.487 880 2HG LYS 47 HG1 LYS 47 -12.098 0.690 4.811 881 1HD LYS 47 HD2 LYS 47 -13.187 -1.160 5.804 882 2HD LYS 47 HD1 LYS 47 -13.242 -1.414 4.058 883 1HE LYS 47 HE2 LYS 47 -11.455 -3.000 4.159 884 2HE LYS 47 HE1 LYS 47 -11.144 -2.621 5.852 885 1HZ LYS 47 HZ1 LYS 47 -13.294 -3.544 6.427 886 2HZ LYS 47 HZ2 LYS 47 -12.370 -4.702 5.601 887 3HZ LYS 47 HZ3 LYS 47 -13.621 -3.887 4.801 888 H TYR 48 HN TYR 48 -10.704 2.150 1.278 889 HA TYR 48 HA TYR 48 -10.752 4.620 2.605 890 1HB TYR 48 HB2 TYR 48 -11.801 5.480 0.696 891 2HB TYR 48 HB1 TYR 48 -10.888 4.107 0.075 892 HD1 TYR 48 HD1 TYR 48 -12.160 1.917 -0.342 893 HD2 TYR 48 HD2 TYR 48 -14.117 5.630 0.385 894 HE1 TYR 48 HE1 TYR 48 -14.227 1.022 -1.328 895 HE2 TYR 48 HE2 TYR 48 -16.185 4.739 -0.598 896 HH TYR 48 HH TYR 48 -16.882 2.995 -2.147 897 H LYS 49 HN LYS 49 -12.431 5.712 3.669 898 HA LYS 49 HA LYS 49 -14.304 4.083 5.018 899 1HB LYS 49 HB2 LYS 49 -13.703 6.977 4.930 900 2HB LYS 49 HB1 LYS 49 -15.322 6.516 5.438 901 1HG LYS 49 HG2 LYS 49 -12.783 5.472 6.665 902 2HG LYS 49 HG1 LYS 49 -13.751 6.799 7.314 903 1HD LYS 49 HD2 LYS 49 -14.707 3.970 6.897 904 2HD LYS 49 HD1 LYS 49 -14.233 4.678 8.444 905 1HE LYS 49 HE2 LYS 49 -15.999 6.362 8.192 906 2HE LYS 49 HE1 LYS 49 -16.488 5.606 6.678 907 1HZ LYS 49 HZ1 LYS 49 -16.834 3.523 8.039 908 2HZ LYS 49 HZ2 LYS 49 -17.938 4.776 8.303 909 3HZ LYS 49 HZ3 LYS 49 -16.694 4.496 9.422 910 HA PRO 50 HA PRO 50 -17.076 4.080 1.641 911 1HB PRO 50 HB2 PRO 50 -18.509 1.983 2.431 912 2HB PRO 50 HB1 PRO 50 -16.805 1.795 2.009 913 1HG PRO 50 HG2 PRO 50 -18.060 2.002 4.716 914 2HG PRO 50 HG1 PRO 50 -16.803 0.887 4.145 915 1HD PRO 50 HD2 PRO 50 -16.321 3.228 5.531 916 2HD PRO 50 HD1 PRO 50 -15.139 2.419 4.485 917 H ASN 51 HN ASN 51 -17.532 6.210 3.106 918 HA ASN 51 HA ASN 51 -19.927 6.217 4.632 919 1HB ASN 51 HB2 ASN 51 -18.207 7.887 4.976 920 2HB ASN 51 HB1 ASN 51 -18.413 8.483 3.335 921 1HD2 ASN 51 HD21 ASN 51 -18.991 10.533 3.887 922 2HD2 ASN 51 HD22 ASN 51 -20.472 10.924 4.689 923 H MET 52 HN MET 52 -21.750 5.629 3.705 924 HA MET 52 HA MET 52 -22.551 7.044 1.264 925 1HB MET 52 HB2 MET 52 -23.873 5.047 0.637 926 2HB MET 52 HB1 MET 52 -22.146 4.728 0.694 927 1HG MET 52 HG2 MET 52 -22.492 3.761 2.976 928 2HG MET 52 HG1 MET 52 -24.227 3.913 2.701 929 1HE MET 52 HE1 MET 52 -24.504 3.223 -0.381 930 2HE MET 52 HE2 MET 52 -25.567 2.535 0.845 931 3HE MET 52 HE3 MET 52 -24.781 1.482 -0.331 932 H THR 53 HN THR 53 -24.046 8.469 1.778 933 HA THR 53 HA THR 53 -25.678 8.081 4.143 934 HB THR 53 HB THR 53 -26.431 10.446 3.572 935 HG1 THR 53 HG1 THR 53 -25.731 11.114 1.686 936 1HG2 THR 53 HG21 THR 53 -24.848 9.951 5.361 937 2HG2 THR 53 HG22 THR 53 -24.386 11.428 4.516 938 3HG2 THR 53 HG23 THR 53 -23.524 9.923 4.195 Start of MODEL 4 1 1H MET 1 HT1 MET 1 4.356 15.553 4.802 2 2H MET 1 HT2 MET 1 3.561 14.757 3.531 3 3H MET 1 HT3 MET 1 5.009 15.584 3.237 4 HA MET 1 HA MET 1 5.317 13.185 3.313 5 1HB MET 1 HB2 MET 1 6.615 14.878 5.444 6 2HB MET 1 HB1 MET 1 7.109 13.219 5.142 7 1HG MET 1 HG2 MET 1 7.691 13.801 2.850 8 2HG MET 1 HG1 MET 1 7.173 15.461 3.135 9 1HE MET 1 HE1 MET 1 9.793 12.675 4.150 10 2HE MET 1 HE2 MET 1 9.039 13.136 5.676 11 3HE MET 1 HE3 MET 1 10.728 13.537 5.372 12 H LYS 2 HN LYS 2 5.736 11.388 4.822 13 HA LYS 2 HA LYS 2 5.162 9.885 6.399 14 1HB LYS 2 HB2 LYS 2 5.715 11.871 7.882 15 2HB LYS 2 HB1 LYS 2 3.978 12.088 8.046 16 1HG LYS 2 HG2 LYS 2 4.081 9.530 8.652 17 2HG LYS 2 HG1 LYS 2 5.739 9.946 9.091 18 1HD LYS 2 HD2 LYS 2 5.074 11.334 10.800 19 2HD LYS 2 HD1 LYS 2 3.494 11.651 10.065 20 1HE LYS 2 HE2 LYS 2 2.803 9.372 10.544 21 2HE LYS 2 HE1 LYS 2 4.379 9.036 11.270 22 1HZ LYS 2 HZ1 LYS 2 3.929 10.750 12.940 23 2HZ LYS 2 HZ2 LYS 2 2.776 9.511 12.984 24 3HZ LYS 2 HZ3 LYS 2 2.387 11.000 12.278 25 H SER 3 HN SER 3 2.792 10.059 8.198 26 HA SER 3 HA SER 3 0.770 8.922 6.621 27 1HB SER 3 HB2 SER 3 1.042 9.085 9.225 28 2HB SER 3 HB1 SER 3 0.138 10.586 9.027 29 HG SER 3 HG SER 3 -1.230 8.782 9.436 30 H THR 4 HN THR 4 -1.084 9.706 5.791 31 HA THR 4 HA THR 4 -1.176 12.586 5.444 32 HB THR 4 HB THR 4 -1.623 12.235 3.013 33 HG1 THR 4 HG1 THR 4 -1.031 9.590 3.794 34 1HG2 THR 4 HG21 THR 4 0.540 12.990 3.798 35 2HG2 THR 4 HG22 THR 4 0.748 11.887 2.436 36 3HG2 THR 4 HG23 THR 4 1.041 11.324 4.086 37 H GLY 5 HN GLY 5 -2.761 9.473 5.314 38 1HA GLY 5 HA2 GLY 5 -4.981 8.899 5.574 39 2HA GLY 5 HA1 GLY 5 -5.346 10.599 5.882 40 H ILE 6 HN ILE 6 -3.537 9.621 3.160 41 HA ILE 6 HA ILE 6 -5.473 10.839 1.374 42 HB ILE 6 HB ILE 6 -2.562 10.414 1.461 43 1HG1 ILE 6 HG12 ILE 6 -2.577 12.499 0.135 44 2HG1 ILE 6 HG11 ILE 6 -4.321 12.373 -0.059 45 1HG2 ILE 6 HG21 ILE 6 -2.251 10.373 -0.993 46 2HG2 ILE 6 HG22 ILE 6 -3.982 10.101 -1.198 47 3HG2 ILE 6 HG23 ILE 6 -2.989 8.892 -0.383 48 1HD1 ILE 6 HD11 ILE 6 -4.607 12.629 2.348 49 2HD1 ILE 6 HD12 ILE 6 -3.736 13.992 1.643 50 3HD1 ILE 6 HD13 ILE 6 -2.858 12.754 2.541 51 H VAL 7 HN VAL 7 -6.795 9.653 0.069 52 HA VAL 7 HA VAL 7 -6.380 6.758 0.138 53 HB VAL 7 HB VAL 7 -8.593 6.400 -0.232 54 1HG1 VAL 7 HG11 VAL 7 -8.593 7.505 1.831 55 2HG1 VAL 7 HG12 VAL 7 -9.974 8.150 0.940 56 3HG1 VAL 7 HG13 VAL 7 -8.491 9.097 1.071 57 1HG2 VAL 7 HG21 VAL 7 -8.918 7.351 -2.364 58 2HG2 VAL 7 HG22 VAL 7 -8.729 8.994 -1.745 59 3HG2 VAL 7 HG23 VAL 7 -10.158 8.049 -1.320 60 H ARG 8 HN ARG 8 -6.276 5.499 -1.719 61 HA ARG 8 HA ARG 8 -6.193 6.839 -4.321 62 1HB ARG 8 HB2 ARG 8 -3.959 5.150 -3.185 63 2HB ARG 8 HB1 ARG 8 -4.109 5.546 -4.889 64 1HG ARG 8 HG2 ARG 8 -4.044 7.687 -2.805 65 2HG ARG 8 HG1 ARG 8 -2.561 6.975 -3.452 66 1HD ARG 8 HD2 ARG 8 -2.837 7.900 -5.477 67 2HD ARG 8 HD1 ARG 8 -4.589 7.763 -5.427 68 HE ARG 8 HE ARG 8 -4.677 9.781 -4.154 69 1HH1 ARG 8 HH11 ARG 8 -1.489 9.036 -5.397 70 2HH1 ARG 8 HH12 ARG 8 -0.934 10.679 -5.306 71 1HH2 ARG 8 HH21 ARG 8 -3.986 11.923 -4.079 72 2HH2 ARG 8 HH22 ARG 8 -2.373 12.346 -4.585 73 H LYS 9 HN LYS 9 -6.362 5.400 -6.110 74 HA LYS 9 HA LYS 9 -8.162 3.201 -5.558 75 1HB LYS 9 HB2 LYS 9 -6.978 4.087 -8.202 76 2HB LYS 9 HB1 LYS 9 -8.366 3.035 -7.979 77 1HG LYS 9 HG2 LYS 9 -8.541 5.723 -6.774 78 2HG LYS 9 HG1 LYS 9 -8.560 5.639 -8.534 79 1HD LYS 9 HD2 LYS 9 -10.815 5.494 -8.017 80 2HD LYS 9 HD1 LYS 9 -10.361 3.797 -8.174 81 1HE LYS 9 HE2 LYS 9 -10.148 3.629 -5.746 82 2HE LYS 9 HE1 LYS 9 -10.585 5.330 -5.588 83 1HZ LYS 9 HZ1 LYS 9 -12.296 3.104 -6.552 84 2HZ LYS 9 HZ2 LYS 9 -12.719 4.735 -6.721 85 3HZ LYS 9 HZ3 LYS 9 -12.529 4.070 -5.179 86 H VAL 10 HN VAL 10 -7.864 1.081 -6.441 87 HA VAL 10 HA VAL 10 -5.095 0.179 -6.059 88 HB VAL 10 HB VAL 10 -7.616 -1.495 -6.157 89 1HG1 VAL 10 HG11 VAL 10 -6.258 -3.130 -4.897 90 2HG1 VAL 10 HG12 VAL 10 -4.848 -2.092 -5.121 91 3HG1 VAL 10 HG13 VAL 10 -5.642 -2.820 -6.519 92 1HG2 VAL 10 HG21 VAL 10 -7.534 -1.477 -3.702 93 2HG2 VAL 10 HG22 VAL 10 -7.802 0.134 -4.370 94 3HG2 VAL 10 HG23 VAL 10 -6.207 -0.316 -3.765 95 H ASP 11 HN ASP 11 -6.474 1.334 -8.550 96 HA ASP 11 HA ASP 11 -6.040 1.257 -10.779 97 1HB ASP 11 HB2 ASP 11 -3.831 0.038 -9.749 98 2HB ASP 11 HB1 ASP 11 -4.501 -1.263 -10.687 99 H GLU 12 HN GLU 12 -5.290 -1.453 -11.815 100 HA GLU 12 HA GLU 12 -7.928 -2.780 -11.825 101 1HB GLU 12 HB2 GLU 12 -6.735 -3.325 -14.310 102 2HB GLU 12 HB1 GLU 12 -8.158 -2.338 -14.012 103 1HG GLU 12 HG2 GLU 12 -5.562 -1.010 -13.643 104 2HG GLU 12 HG1 GLU 12 -5.975 -1.469 -15.296 105 H LEU 13 HN LEU 13 -4.546 -2.966 -12.690 106 HA LEU 13 HA LEU 13 -4.355 -5.782 -12.651 107 1HB LEU 13 HB2 LEU 13 -2.274 -3.616 -12.393 108 2HB LEU 13 HB1 LEU 13 -1.872 -5.321 -12.445 109 HG LEU 13 HG LEU 13 -1.527 -4.401 -14.623 110 1HD1 LEU 13 HD11 LEU 13 -3.017 -5.779 -15.975 111 2HD1 LEU 13 HD12 LEU 13 -4.084 -5.993 -14.587 112 3HD1 LEU 13 HD13 LEU 13 -2.446 -6.646 -14.549 113 1HD2 LEU 13 HD21 LEU 13 -2.953 -2.423 -14.445 114 2HD2 LEU 13 HD22 LEU 13 -4.394 -3.442 -14.549 115 3HD2 LEU 13 HD23 LEU 13 -3.289 -3.327 -15.922 116 H GLY 14 HN GLY 14 -4.349 -3.397 -10.154 117 1HA GLY 14 HA2 GLY 14 -5.071 -4.284 -7.978 118 2HA GLY 14 HA1 GLY 14 -3.876 -5.560 -8.195 119 H ARG 15 HN ARG 15 -2.901 -2.540 -9.308 120 HA ARG 15 HA ARG 15 -1.113 -2.330 -7.034 121 1HB ARG 15 HB2 ARG 15 0.213 -0.869 -8.599 122 2HB ARG 15 HB1 ARG 15 0.045 -2.551 -9.081 123 1HG ARG 15 HG2 ARG 15 -2.001 -1.633 -10.435 124 2HG ARG 15 HG1 ARG 15 -1.132 -0.102 -10.277 125 1HD ARG 15 HD2 ARG 15 0.820 -1.058 -11.310 126 2HD ARG 15 HD1 ARG 15 0.046 -2.641 -11.388 127 HE ARG 15 HE ARG 15 -1.663 -0.971 -12.729 128 1HH1 ARG 15 HH11 ARG 15 1.758 -1.702 -13.044 129 2HH1 ARG 15 HH12 ARG 15 1.753 -1.555 -14.769 130 1HH2 ARG 15 HH21 ARG 15 -1.654 -0.779 -14.996 131 2HH2 ARG 15 HH22 ARG 15 -0.185 -1.037 -15.886 132 H VAL 16 HN VAL 16 -1.454 -0.848 -5.545 133 HA VAL 16 HA VAL 16 -3.372 1.285 -6.019 134 HB VAL 16 HB VAL 16 -3.196 -0.028 -3.820 135 1HG1 VAL 16 HG11 VAL 16 -0.876 1.800 -3.346 136 2HG1 VAL 16 HG12 VAL 16 -0.799 0.049 -3.539 137 3HG1 VAL 16 HG13 VAL 16 -1.636 0.748 -2.151 138 1HG2 VAL 16 HG21 VAL 16 -4.519 2.022 -4.084 139 2HG2 VAL 16 HG22 VAL 16 -3.103 2.969 -3.628 140 3HG2 VAL 16 HG23 VAL 16 -3.838 1.864 -2.466 141 H VAL 17 HN VAL 17 -2.819 3.357 -6.502 142 HA VAL 17 HA VAL 17 -0.041 3.791 -7.119 143 HB VAL 17 HB VAL 17 -2.194 5.890 -7.232 144 1HG1 VAL 17 HG11 VAL 17 0.030 6.765 -7.455 145 2HG1 VAL 17 HG12 VAL 17 -0.771 6.818 -9.026 146 3HG1 VAL 17 HG13 VAL 17 0.418 5.563 -8.682 147 1HG2 VAL 17 HG21 VAL 17 -3.006 3.970 -8.465 148 2HG2 VAL 17 HG22 VAL 17 -1.481 3.868 -9.346 149 3HG2 VAL 17 HG23 VAL 17 -2.544 5.255 -9.581 150 H ILE 18 HN ILE 18 0.882 3.608 -5.103 151 HA ILE 18 HA ILE 18 0.206 5.244 -2.933 152 HB ILE 18 HB ILE 18 1.395 3.476 -2.185 153 1HG1 ILE 18 HG12 ILE 18 3.727 5.346 -2.596 154 2HG1 ILE 18 HG11 ILE 18 2.456 5.633 -1.405 155 1HG2 ILE 18 HG21 ILE 18 3.327 3.734 -4.466 156 2HG2 ILE 18 HG22 ILE 18 2.023 2.555 -4.322 157 3HG2 ILE 18 HG23 ILE 18 3.389 2.501 -3.206 158 1HD1 ILE 18 HD11 ILE 18 4.469 4.629 -0.440 159 2HD1 ILE 18 HD12 ILE 18 4.252 3.222 -1.483 160 3HD1 ILE 18 HD13 ILE 18 3.050 3.599 -0.246 161 HA PRO 19 HA PRO 19 1.513 9.048 -4.640 162 1HB PRO 19 HB2 PRO 19 1.965 9.817 -1.806 163 2HB PRO 19 HB1 PRO 19 1.002 10.619 -3.057 164 1HG PRO 19 HG2 PRO 19 -0.215 9.232 -1.144 165 2HG PRO 19 HG1 PRO 19 -0.784 9.127 -2.821 166 1HD PRO 19 HD2 PRO 19 0.877 7.186 -1.265 167 2HD PRO 19 HD1 PRO 19 -0.457 6.876 -2.398 168 H ILE 20 HN ILE 20 3.317 9.906 -5.316 169 HA ILE 20 HA ILE 20 5.848 8.903 -4.981 170 HB ILE 20 HB ILE 20 6.649 11.086 -5.858 171 1HG1 ILE 20 HG12 ILE 20 4.361 12.471 -6.543 172 2HG1 ILE 20 HG11 ILE 20 3.995 11.926 -4.901 173 1HG2 ILE 20 HG21 ILE 20 5.473 10.949 -7.990 174 2HG2 ILE 20 HG22 ILE 20 4.201 9.990 -7.230 175 3HG2 ILE 20 HG23 ILE 20 5.838 9.345 -7.355 176 1HD1 ILE 20 HD11 ILE 20 5.963 13.003 -4.049 177 2HD1 ILE 20 HD12 ILE 20 5.012 14.165 -4.985 178 3HD1 ILE 20 HD13 ILE 20 6.466 13.454 -5.684 179 H GLU 21 HN GLU 21 4.168 11.283 -3.114 180 HA GLU 21 HA GLU 21 6.407 12.400 -1.810 181 1HB GLU 21 HB2 GLU 21 4.433 13.169 -0.221 182 2HB GLU 21 HB1 GLU 21 4.658 13.876 -1.816 183 1HG GLU 21 HG2 GLU 21 3.018 12.213 -2.705 184 2HG GLU 21 HG1 GLU 21 2.702 11.728 -1.035 185 H LEU 22 HN LEU 22 4.134 9.851 -1.051 186 HA LEU 22 HA LEU 22 5.077 9.529 1.603 187 1HB LEU 22 HB2 LEU 22 3.313 7.950 -0.199 188 2HB LEU 22 HB1 LEU 22 3.920 7.216 1.280 189 HG LEU 22 HG LEU 22 3.062 9.456 2.341 190 1HD1 LEU 22 HD11 LEU 22 1.004 10.239 1.310 191 2HD1 LEU 22 HD12 LEU 22 1.270 9.151 -0.053 192 3HD1 LEU 22 HD13 LEU 22 2.390 10.482 0.245 193 1HD2 LEU 22 HD21 LEU 22 1.270 7.164 1.550 194 2HD2 LEU 22 HD22 LEU 22 0.950 8.313 2.852 195 3HD2 LEU 22 HD23 LEU 22 2.332 7.221 2.956 196 H ARG 23 HN ARG 23 5.760 7.887 -1.474 197 HA ARG 23 HA ARG 23 7.579 6.030 -0.305 198 1HB ARG 23 HB2 ARG 23 8.213 5.471 -2.564 199 2HB ARG 23 HB1 ARG 23 6.478 5.747 -2.562 200 1HG ARG 23 HG2 ARG 23 7.045 6.891 -4.437 201 2HG ARG 23 HG1 ARG 23 7.217 8.187 -3.248 202 1HD ARG 23 HD2 ARG 23 9.688 7.158 -3.128 203 2HD ARG 23 HD1 ARG 23 9.280 6.712 -4.782 204 HE ARG 23 HE ARG 23 8.632 9.370 -4.580 205 1HH1 ARG 23 HH11 ARG 23 11.524 7.459 -4.067 206 2HH1 ARG 23 HH12 ARG 23 12.606 8.737 -4.544 207 1HH2 ARG 23 HH21 ARG 23 10.059 11.067 -5.168 208 2HH2 ARG 23 HH22 ARG 23 11.775 10.773 -5.166 209 H ARG 24 HN ARG 24 7.676 9.296 -1.160 210 HA ARG 24 HA ARG 24 10.537 9.602 -1.179 211 1HB ARG 24 HB2 ARG 24 9.266 11.121 -2.455 212 2HB ARG 24 HB1 ARG 24 8.170 11.441 -1.117 213 1HG ARG 24 HG2 ARG 24 11.023 12.142 -0.778 214 2HG ARG 24 HG1 ARG 24 10.040 13.152 -1.847 215 1HD ARG 24 HD2 ARG 24 8.381 13.374 -0.008 216 2HD ARG 24 HD1 ARG 24 9.494 12.502 1.048 217 HE ARG 24 HE ARG 24 9.739 15.235 0.100 218 1HH1 ARG 24 HH11 ARG 24 11.342 12.510 1.613 219 2HH1 ARG 24 HH12 ARG 24 12.489 13.495 2.479 220 1HH2 ARG 24 HH21 ARG 24 11.233 16.538 1.208 221 2HH2 ARG 24 HH22 ARG 24 12.452 15.800 2.210 222 H THR 25 HN THR 25 7.958 9.556 1.103 223 HA THR 25 HA THR 25 9.326 10.837 3.227 224 HB THR 25 HB THR 25 7.022 8.891 3.317 225 HG1 THR 25 HG1 THR 25 6.754 11.017 2.225 226 1HG2 THR 25 HG21 THR 25 8.126 10.722 5.449 227 2HG2 THR 25 HG22 THR 25 8.146 8.957 5.463 228 3HG2 THR 25 HG23 THR 25 6.612 9.823 5.570 229 H LEU 26 HN LEU 26 8.868 7.487 2.231 230 HA LEU 26 HA LEU 26 10.567 6.501 4.352 231 1HB LEU 26 HB2 LEU 26 9.703 4.975 1.909 232 2HB LEU 26 HB1 LEU 26 10.249 4.326 3.437 233 HG LEU 26 HG LEU 26 8.076 3.967 3.793 234 1HD1 LEU 26 HD11 LEU 26 8.535 5.734 5.404 235 2HD1 LEU 26 HD12 LEU 26 6.847 5.710 4.899 236 3HD1 LEU 26 HD13 LEU 26 7.944 6.929 4.246 237 1HD2 LEU 26 HD21 LEU 26 7.498 4.421 1.504 238 2HD2 LEU 26 HD22 LEU 26 7.400 6.146 1.859 239 3HD2 LEU 26 HD23 LEU 26 6.255 5.026 2.598 240 H GLY 27 HN GLY 27 10.921 7.756 1.226 241 1HA GLY 27 HA2 GLY 27 12.809 8.276 0.029 242 2HA GLY 27 HA1 GLY 27 13.772 7.518 1.274 243 H ILE 28 HN ILE 28 11.244 5.606 0.085 244 HA ILE 28 HA ILE 28 12.995 3.819 -1.359 245 HB ILE 28 HB ILE 28 10.989 2.468 -1.714 246 1HG1 ILE 28 HG12 ILE 28 9.453 4.681 -0.361 247 2HG1 ILE 28 HG11 ILE 28 9.501 4.425 -2.105 248 1HG2 ILE 28 HG21 ILE 28 11.172 3.563 1.091 249 2HG2 ILE 28 HG22 ILE 28 12.099 2.218 0.423 250 3HG2 ILE 28 HG23 ILE 28 10.355 2.069 0.635 251 1HD1 ILE 28 HD11 ILE 28 7.495 3.479 -1.227 252 2HD1 ILE 28 HD12 ILE 28 8.409 2.552 -0.035 253 3HD1 ILE 28 HD13 ILE 28 8.568 2.178 -1.752 254 H ALA 29 HN ALA 29 11.012 3.107 -3.380 255 HA ALA 29 HA ALA 29 10.562 5.403 -5.017 256 1HB ALA 29 HB1 ALA 29 12.746 3.502 -5.862 257 2HB ALA 29 HB2 ALA 29 12.977 5.170 -5.340 258 3HB ALA 29 HB3 ALA 29 12.094 4.827 -6.827 259 H GLU 30 HN GLU 30 10.018 4.652 -7.314 260 HA GLU 30 HA GLU 30 7.880 2.820 -7.205 261 1HB GLU 30 HB2 GLU 30 7.915 3.112 -9.714 262 2HB GLU 30 HB1 GLU 30 7.897 4.630 -8.816 263 1HG GLU 30 HG2 GLU 30 10.363 4.751 -9.078 264 2HG GLU 30 HG1 GLU 30 10.292 3.312 -10.086 265 H LYS 31 HN LYS 31 11.163 2.548 -8.382 266 HA LYS 31 HA LYS 31 10.856 -0.114 -9.370 267 1HB LYS 31 HB2 LYS 31 13.467 1.202 -8.671 268 2HB LYS 31 HB1 LYS 31 13.138 0.011 -9.922 269 1HG LYS 31 HG2 LYS 31 11.816 2.666 -10.077 270 2HG LYS 31 HG1 LYS 31 13.518 2.530 -10.523 271 1HD LYS 31 HD2 LYS 31 12.285 2.275 -12.524 272 2HD LYS 31 HD1 LYS 31 12.818 0.657 -12.070 273 1HE LYS 31 HE2 LYS 31 10.658 0.088 -11.248 274 2HE LYS 31 HE1 LYS 31 10.099 1.755 -11.384 275 1HZ LYS 31 HZ1 LYS 31 10.305 1.593 -13.780 276 2HZ LYS 31 HZ2 LYS 31 9.272 0.382 -13.201 277 3HZ LYS 31 HZ3 LYS 31 10.864 -0.003 -13.657 278 H ASP 32 HN ASP 32 10.790 1.071 -6.329 279 HA ASP 32 HA ASP 32 12.578 -0.793 -5.095 280 1HB ASP 32 HB2 ASP 32 12.125 1.637 -4.391 281 2HB ASP 32 HB1 ASP 32 10.648 1.001 -3.691 282 H ALA 33 HN ALA 33 11.522 -1.837 -3.003 283 HA ALA 33 HA ALA 33 8.994 -3.120 -3.845 284 1HB ALA 33 HB1 ALA 33 11.376 -4.525 -2.601 285 2HB ALA 33 HB2 ALA 33 10.855 -4.676 -4.279 286 3HB ALA 33 HB3 ALA 33 9.816 -5.265 -2.977 287 H LEU 34 HN LEU 34 7.641 -3.644 -2.129 288 HA LEU 34 HA LEU 34 8.412 -2.474 0.454 289 1HB LEU 34 HB2 LEU 34 5.810 -2.262 -1.060 290 2HB LEU 34 HB1 LEU 34 5.961 -1.868 0.643 291 HG LEU 34 HG LEU 34 7.568 -0.511 -1.538 292 1HD1 LEU 34 HD11 LEU 34 6.026 1.371 -1.260 293 2HD1 LEU 34 HD12 LEU 34 5.056 0.429 -0.124 294 3HD1 LEU 34 HD13 LEU 34 5.164 -0.063 -1.816 295 1HD2 LEU 34 HD21 LEU 34 7.087 0.128 1.377 296 2HD2 LEU 34 HD22 LEU 34 7.979 1.136 0.238 297 3HD2 LEU 34 HD23 LEU 34 8.590 -0.460 0.665 298 H GLU 35 HN GLU 35 8.051 -3.759 2.127 299 HA GLU 35 HA GLU 35 7.040 -6.412 1.578 300 1HB GLU 35 HB2 GLU 35 9.214 -5.846 2.846 301 2HB GLU 35 HB1 GLU 35 8.159 -5.426 4.192 302 1HG GLU 35 HG2 GLU 35 7.290 -7.635 4.286 303 2HG GLU 35 HG1 GLU 35 8.112 -8.067 2.786 304 H ILE 36 HN ILE 36 4.944 -6.438 1.570 305 HA ILE 36 HA ILE 36 3.455 -4.607 3.263 306 HB ILE 36 HB ILE 36 2.601 -6.513 1.108 307 1HG1 ILE 36 HG12 ILE 36 2.001 -3.845 0.450 308 2HG1 ILE 36 HG11 ILE 36 3.639 -3.831 1.105 309 1HG2 ILE 36 HG21 ILE 36 1.003 -4.636 2.822 310 2HG2 ILE 36 HG22 ILE 36 0.730 -6.353 2.527 311 3HG2 ILE 36 HG23 ILE 36 0.429 -5.180 1.244 312 1HD1 ILE 36 HD11 ILE 36 4.273 -5.577 -0.484 313 2HD1 ILE 36 HD12 ILE 36 3.685 -4.119 -1.289 314 3HD1 ILE 36 HD13 ILE 36 2.643 -5.537 -1.162 315 H TYR 37 HN TYR 37 2.256 -5.081 4.908 316 HA TYR 37 HA TYR 37 1.803 -7.893 5.700 317 1HB TYR 37 HB2 TYR 37 2.115 -5.690 7.733 318 2HB TYR 37 HB1 TYR 37 2.302 -7.428 7.939 319 HD1 TYR 37 HD1 TYR 37 4.413 -8.531 7.065 320 HD2 TYR 37 HD2 TYR 37 3.932 -4.311 7.301 321 HE1 TYR 37 HE1 TYR 37 6.858 -8.252 6.985 322 HE2 TYR 37 HE2 TYR 37 6.367 -4.020 7.211 323 HH TYR 37 HH TYR 37 8.512 -6.562 6.413 324 H VAL 38 HN VAL 38 0.043 -7.753 7.562 325 HA VAL 38 HA VAL 38 -1.780 -5.504 7.281 326 HB VAL 38 HB VAL 38 -2.563 -8.316 6.544 327 1HG1 VAL 38 HG11 VAL 38 -4.957 -7.537 6.687 328 2HG1 VAL 38 HG12 VAL 38 -4.366 -6.179 7.657 329 3HG1 VAL 38 HG13 VAL 38 -4.155 -7.835 8.230 330 1HG2 VAL 38 HG21 VAL 38 -3.172 -5.639 5.315 331 2HG2 VAL 38 HG22 VAL 38 -3.738 -7.194 4.705 332 3HG2 VAL 38 HG23 VAL 38 -2.013 -6.826 4.718 333 H ASP 39 HN ASP 39 -2.814 -5.035 9.093 334 HA ASP 39 HA ASP 39 -2.521 -6.870 11.374 335 1HB ASP 39 HB2 ASP 39 -1.051 -4.905 11.614 336 2HB ASP 39 HB1 ASP 39 -2.438 -3.838 11.401 337 H ASP 40 HN ASP 40 -4.392 -7.561 12.129 338 HA ASP 40 HA ASP 40 -6.616 -7.850 12.430 339 1HB ASP 40 HB2 ASP 40 -6.459 -4.864 12.366 340 2HB ASP 40 HB1 ASP 40 -8.045 -5.629 12.314 341 H GLU 41 HN GLU 41 -6.948 -5.070 10.347 342 HA GLU 41 HA GLU 41 -7.779 -6.725 8.095 343 1HB GLU 41 HB2 GLU 41 -9.848 -5.345 7.849 344 2HB GLU 41 HB1 GLU 41 -9.851 -6.353 9.292 345 1HG GLU 41 HG2 GLU 41 -9.419 -4.521 10.705 346 2HG GLU 41 HG1 GLU 41 -8.988 -3.480 9.346 347 H LYS 42 HN LYS 42 -5.615 -4.692 8.933 348 HA LYS 42 HA LYS 42 -6.042 -2.923 6.656 349 1HB LYS 42 HB2 LYS 42 -5.099 -1.051 7.830 350 2HB LYS 42 HB1 LYS 42 -6.376 -1.741 8.821 351 1HG LYS 42 HG2 LYS 42 -4.873 -2.661 10.345 352 2HG LYS 42 HG1 LYS 42 -3.513 -2.508 9.232 353 1HD LYS 42 HD2 LYS 42 -3.751 -0.030 9.407 354 2HD LYS 42 HD1 LYS 42 -4.963 -0.288 10.665 355 1HE LYS 42 HE2 LYS 42 -2.282 -1.580 10.896 356 2HE LYS 42 HE1 LYS 42 -2.460 0.130 11.301 357 1HZ LYS 42 HZ1 LYS 42 -2.695 -1.451 13.198 358 2HZ LYS 42 HZ2 LYS 42 -4.131 -2.022 12.497 359 3HZ LYS 42 HZ3 LYS 42 -4.014 -0.409 12.993 360 H ILE 43 HN ILE 43 -4.244 -2.068 5.642 361 HA ILE 43 HA ILE 43 -2.256 -4.166 5.322 362 HB ILE 43 HB ILE 43 -2.786 -1.733 3.615 363 1HG1 ILE 43 HG12 ILE 43 -3.881 -4.492 3.092 364 2HG1 ILE 43 HG11 ILE 43 -4.775 -3.320 4.055 365 1HG2 ILE 43 HG21 ILE 43 -1.608 -2.813 1.917 366 2HG2 ILE 43 HG22 ILE 43 -1.663 -4.372 2.745 367 3HG2 ILE 43 HG23 ILE 43 -0.638 -3.077 3.372 368 1HD1 ILE 43 HD11 ILE 43 -4.780 -1.775 2.167 369 2HD1 ILE 43 HD12 ILE 43 -5.525 -3.320 1.752 370 3HD1 ILE 43 HD13 ILE 43 -3.889 -2.953 1.206 371 H ILE 44 HN ILE 44 -0.075 -3.840 5.543 372 HA ILE 44 HA ILE 44 0.797 -1.191 6.498 373 HB ILE 44 HB ILE 44 2.417 -3.398 7.529 374 1HG1 ILE 44 HG12 ILE 44 0.159 -4.469 7.650 375 2HG1 ILE 44 HG11 ILE 44 0.928 -4.235 9.213 376 1HG2 ILE 44 HG21 ILE 44 1.047 -1.041 8.832 377 2HG2 ILE 44 HG22 ILE 44 2.701 -1.095 8.229 378 3HG2 ILE 44 HG23 ILE 44 2.237 -2.080 9.614 379 1HD1 ILE 44 HD11 ILE 44 -0.559 -2.556 9.821 380 2HD1 ILE 44 HD12 ILE 44 -1.561 -3.753 8.985 381 3HD1 ILE 44 HD13 ILE 44 -1.067 -2.277 8.154 382 H LEU 45 HN LEU 45 1.930 -0.473 4.773 383 HA LEU 45 HA LEU 45 3.664 -2.335 3.340 384 1HB LEU 45 HB2 LEU 45 2.605 0.409 2.791 385 2HB LEU 45 HB1 LEU 45 4.111 -0.075 2.022 386 HG LEU 45 HG LEU 45 2.914 -2.038 1.047 387 1HD1 LEU 45 HD11 LEU 45 1.094 -2.208 2.650 388 2HD1 LEU 45 HD12 LEU 45 0.464 -1.992 1.016 389 3HD1 LEU 45 HD13 LEU 45 0.481 -0.635 2.143 390 1HD2 LEU 45 HD21 LEU 45 1.734 -0.729 -0.656 391 2HD2 LEU 45 HD22 LEU 45 3.289 -0.006 -0.243 392 3HD2 LEU 45 HD23 LEU 45 1.798 0.688 0.392 393 H LYS 46 HN LYS 46 5.544 -2.665 4.318 394 HA LYS 46 HA LYS 46 7.069 -0.304 5.243 395 1HB LYS 46 HB2 LYS 46 6.697 -2.266 6.839 396 2HB LYS 46 HB1 LYS 46 7.684 -3.229 5.751 397 1HG LYS 46 HG2 LYS 46 9.568 -1.706 6.122 398 2HG LYS 46 HG1 LYS 46 8.570 -0.770 7.239 399 1HD LYS 46 HD2 LYS 46 9.210 -3.693 7.573 400 2HD LYS 46 HD1 LYS 46 10.093 -2.384 8.365 401 1HE LYS 46 HE2 LYS 46 7.929 -1.643 9.360 402 2HE LYS 46 HE1 LYS 46 7.184 -3.096 8.701 403 1HZ LYS 46 HZ1 LYS 46 8.766 -4.421 10.004 404 2HZ LYS 46 HZ2 LYS 46 7.795 -3.443 10.989 405 3HZ LYS 46 HZ3 LYS 46 9.398 -3.000 10.677 406 H LYS 47 HN LYS 47 9.314 -0.262 4.534 407 HA LYS 47 HA LYS 47 9.606 -0.918 1.787 408 1HB LYS 47 HB2 LYS 47 11.843 -0.065 1.976 409 2HB LYS 47 HB1 LYS 47 10.817 0.937 2.999 410 1HG LYS 47 HG2 LYS 47 11.600 -0.215 4.972 411 2HG LYS 47 HG1 LYS 47 12.579 -1.303 3.980 412 1HD LYS 47 HD2 LYS 47 14.142 0.262 4.626 413 2HD LYS 47 HD1 LYS 47 13.601 0.933 3.086 414 1HE LYS 47 HE2 LYS 47 13.440 2.806 4.382 415 2HE LYS 47 HE1 LYS 47 11.833 2.125 4.641 416 1HZ LYS 47 HZ1 LYS 47 14.177 1.824 6.449 417 2HZ LYS 47 HZ2 LYS 47 12.668 1.096 6.685 418 3HZ LYS 47 HZ3 LYS 47 12.803 2.780 6.745 419 H TYR 48 HN TYR 48 10.975 -2.536 0.831 420 HA TYR 48 HA TYR 48 10.749 -5.047 2.035 421 1HB TYR 48 HB2 TYR 48 11.948 -5.906 0.173 422 2HB TYR 48 HB1 TYR 48 11.025 -4.531 -0.425 423 HD1 TYR 48 HD1 TYR 48 14.384 -5.822 0.283 424 HD2 TYR 48 HD2 TYR 48 12.149 -2.512 -1.174 425 HE1 TYR 48 HE1 TYR 48 16.433 -4.874 -0.692 426 HE2 TYR 48 HE2 TYR 48 14.190 -1.552 -2.148 427 HH TYR 48 HH TYR 48 16.640 -1.682 -1.809 428 H LYS 49 HN LYS 49 12.543 -6.519 2.629 429 HA LYS 49 HA LYS 49 14.075 -5.289 4.684 430 1HB LYS 49 HB2 LYS 49 13.151 -7.719 4.528 431 2HB LYS 49 HB1 LYS 49 14.636 -8.043 3.642 432 1HG LYS 49 HG2 LYS 49 14.864 -8.599 6.001 433 2HG LYS 49 HG1 LYS 49 15.955 -7.285 5.542 434 1HD LYS 49 HD2 LYS 49 14.934 -6.764 7.660 435 2HD LYS 49 HD1 LYS 49 14.284 -5.675 6.430 436 1HE LYS 49 HE2 LYS 49 12.384 -7.351 6.191 437 2HE LYS 49 HE1 LYS 49 12.980 -8.075 7.682 438 1HZ LYS 49 HZ1 LYS 49 11.964 -5.314 7.305 439 2HZ LYS 49 HZ2 LYS 49 12.730 -5.838 8.722 440 3HZ LYS 49 HZ3 LYS 49 11.264 -6.548 8.236 441 HA PRO 50 HA PRO 50 17.238 -4.190 1.767 442 1HB PRO 50 HB2 PRO 50 18.513 -2.391 3.268 443 2HB PRO 50 HB1 PRO 50 16.881 -2.081 2.663 444 1HG PRO 50 HG2 PRO 50 17.746 -2.991 5.379 445 2HG PRO 50 HG1 PRO 50 16.545 -1.762 4.941 446 1HD PRO 50 HD2 PRO 50 15.927 -4.351 5.622 447 2HD PRO 50 HD1 PRO 50 14.902 -3.317 4.610 448 H ASN 51 HN ASN 51 17.467 -6.316 4.099 449 HA ASN 51 HA ASN 51 20.294 -6.400 4.579 450 1HB ASN 51 HB2 ASN 51 18.950 -7.343 6.280 451 2HB ASN 51 HB1 ASN 51 18.039 -8.319 5.131 452 1HD2 ASN 51 HD21 ASN 51 18.879 -10.255 4.431 453 2HD2 ASN 51 HD22 ASN 51 20.297 -10.980 5.118 454 H MET 52 HN MET 52 21.575 -6.720 2.932 455 HA MET 52 HA MET 52 20.976 -8.972 1.133 456 1HB MET 52 HB2 MET 52 22.744 -6.566 0.638 457 2HB MET 52 HB1 MET 52 22.467 -7.886 -0.491 458 1HG MET 52 HG2 MET 52 20.098 -7.301 -0.594 459 2HG MET 52 HG1 MET 52 20.380 -5.972 0.532 460 1HE MET 52 HE1 MET 52 21.886 -3.848 -0.047 461 2HE MET 52 HE2 MET 52 22.732 -3.642 -1.580 462 3HE MET 52 HE3 MET 52 23.225 -4.917 -0.467 463 H THR 53 HN THR 53 22.355 -10.638 1.148 464 HA THR 53 HA THR 53 24.295 -10.748 3.233 465 HB THR 53 HB THR 53 23.995 -12.799 1.055 466 HG1 THR 53 HG1 THR 53 22.332 -12.466 3.366 467 1HG2 THR 53 HG21 THR 53 24.590 -13.029 4.009 468 2HG2 THR 53 HG22 THR 53 25.788 -13.108 2.717 469 3HG2 THR 53 HG23 THR 53 24.550 -14.358 2.848 470 1H MET 1 HT1 MET 1 -4.858 -15.690 2.786 471 2H MET 1 HT2 MET 1 -4.469 -15.844 4.429 472 3H MET 1 HT3 MET 1 -3.410 -15.040 3.383 473 HA MET 1 HA MET 1 -5.067 -13.322 3.001 474 1HB MET 1 HB2 MET 1 -6.595 -14.936 5.048 475 2HB MET 1 HB1 MET 1 -6.986 -13.270 4.652 476 1HG MET 1 HG2 MET 1 -7.427 -13.902 2.345 477 2HG MET 1 HG1 MET 1 -6.990 -15.570 2.709 478 1HE MET 1 HE1 MET 1 -9.026 -13.129 5.059 479 2HE MET 1 HE2 MET 1 -10.676 -13.454 4.533 480 3HE MET 1 HE3 MET 1 -9.542 -12.664 3.438 481 H LYS 2 HN LYS 2 -5.649 -11.656 4.851 482 HA LYS 2 HA LYS 2 -4.964 -10.340 6.577 483 1HB LYS 2 HB2 LYS 2 -5.268 -12.513 7.840 484 2HB LYS 2 HB1 LYS 2 -3.536 -12.753 7.692 485 1HG LYS 2 HG2 LYS 2 -3.400 -10.399 8.806 486 2HG LYS 2 HG1 LYS 2 -5.048 -10.763 9.328 487 1HD LYS 2 HD2 LYS 2 -3.529 -11.450 11.063 488 2HD LYS 2 HD1 LYS 2 -4.182 -12.901 10.297 489 1HE LYS 2 HE2 LYS 2 -2.176 -13.145 8.971 490 2HE LYS 2 HE1 LYS 2 -1.532 -11.637 9.618 491 1HZ LYS 2 HZ1 LYS 2 -1.434 -12.658 11.805 492 2HZ LYS 2 HZ2 LYS 2 -0.556 -13.573 10.684 493 3HZ LYS 2 HZ3 LYS 2 -2.082 -14.101 11.196 494 H SER 3 HN SER 3 -2.449 -10.421 7.988 495 HA SER 3 HA SER 3 -0.600 -9.231 6.275 496 1HB SER 3 HB2 SER 3 -0.641 -9.509 8.910 497 2HB SER 3 HB1 SER 3 0.332 -10.931 8.545 498 HG SER 3 HG SER 3 1.969 -9.713 8.125 499 H THR 4 HN THR 4 1.351 -9.991 5.527 500 HA THR 4 HA THR 4 1.385 -12.813 4.874 501 HB THR 4 HB THR 4 1.953 -12.186 2.488 502 HG1 THR 4 HG1 THR 4 1.170 -9.679 3.519 503 1HG2 THR 4 HG21 THR 4 -0.361 -11.981 1.799 504 2HG2 THR 4 HG22 THR 4 -0.822 -11.463 3.421 505 3HG2 THR 4 HG23 THR 4 -0.236 -13.105 3.156 506 H GLY 5 HN GLY 5 2.986 -9.683 4.918 507 1HA GLY 5 HA2 GLY 5 5.210 -9.128 5.184 508 2HA GLY 5 HA1 GLY 5 5.569 -10.839 5.448 509 H ILE 6 HN ILE 6 3.781 -9.630 2.766 510 HA ILE 6 HA ILE 6 5.655 -10.910 0.932 511 HB ILE 6 HB ILE 6 2.746 -10.553 1.125 512 1HG1 ILE 6 HG12 ILE 6 2.743 -12.628 -0.192 513 2HG1 ILE 6 HG11 ILE 6 4.467 -12.461 -0.499 514 1HG2 ILE 6 HG21 ILE 6 2.324 -10.499 -1.309 515 2HG2 ILE 6 HG22 ILE 6 4.035 -10.182 -1.591 516 3HG2 ILE 6 HG23 ILE 6 3.052 -9.005 -0.719 517 1HD1 ILE 6 HD11 ILE 6 3.184 -12.876 2.190 518 2HD1 ILE 6 HD12 ILE 6 4.914 -12.723 1.883 519 3HD1 ILE 6 HD13 ILE 6 4.021 -14.099 1.234 520 H VAL 7 HN VAL 7 6.914 -9.695 -0.402 521 HA VAL 7 HA VAL 7 6.493 -6.808 -0.283 522 HB VAL 7 HB VAL 7 8.690 -6.457 -0.848 523 1HG1 VAL 7 HG11 VAL 7 10.096 -8.036 0.440 524 2HG1 VAL 7 HG12 VAL 7 8.693 -9.095 0.593 525 3HG1 VAL 7 HG13 VAL 7 8.663 -7.478 1.304 526 1HG2 VAL 7 HG21 VAL 7 8.751 -9.166 -2.153 527 2HG2 VAL 7 HG22 VAL 7 10.190 -8.182 -1.880 528 3HG2 VAL 7 HG23 VAL 7 8.897 -7.583 -2.920 529 H ARG 8 HN ARG 8 6.341 -5.496 -2.098 530 HA ARG 8 HA ARG 8 6.069 -6.745 -4.736 531 1HB ARG 8 HB2 ARG 8 4.019 -4.992 -3.377 532 2HB ARG 8 HB1 ARG 8 4.041 -5.276 -5.115 533 1HG ARG 8 HG2 ARG 8 3.782 -7.412 -3.016 534 2HG ARG 8 HG1 ARG 8 2.457 -6.738 -3.976 535 1HD ARG 8 HD2 ARG 8 3.415 -7.524 -5.997 536 2HD ARG 8 HD1 ARG 8 4.916 -7.963 -5.177 537 HE ARG 8 HE ARG 8 3.796 -9.826 -4.200 538 1HH1 ARG 8 HH11 ARG 8 1.851 -8.099 -6.546 539 2HH1 ARG 8 HH12 ARG 8 0.778 -9.436 -6.835 540 1HH2 ARG 8 HH21 ARG 8 2.380 -11.571 -4.550 541 2HH2 ARG 8 HH22 ARG 8 1.057 -11.408 -5.666 542 H LYS 9 HN LYS 9 6.342 -5.302 -6.487 543 HA LYS 9 HA LYS 9 8.127 -3.102 -5.928 544 1HB LYS 9 HB2 LYS 9 6.899 -3.926 -8.569 545 2HB LYS 9 HB1 LYS 9 8.293 -2.885 -8.345 546 1HG LYS 9 HG2 LYS 9 8.533 -5.564 -7.167 547 2HG LYS 9 HG1 LYS 9 8.421 -5.517 -8.926 548 1HD LYS 9 HD2 LYS 9 10.688 -5.320 -8.664 549 2HD LYS 9 HD1 LYS 9 10.227 -3.619 -8.666 550 1HE LYS 9 HE2 LYS 9 10.264 -3.604 -6.222 551 2HE LYS 9 HE1 LYS 9 10.705 -5.311 -6.214 552 1HZ LYS 9 HZ1 LYS 9 12.687 -4.546 -7.622 553 2HZ LYS 9 HZ2 LYS 9 12.719 -4.221 -5.962 554 3HZ LYS 9 HZ3 LYS 9 12.324 -2.987 -7.058 555 H VAL 10 HN VAL 10 7.799 -0.943 -6.599 556 HA VAL 10 HA VAL 10 5.027 -0.086 -6.207 557 HB VAL 10 HB VAL 10 7.529 1.614 -6.298 558 1HG1 VAL 10 HG11 VAL 10 4.735 2.137 -5.307 559 2HG1 VAL 10 HG12 VAL 10 5.604 2.975 -6.596 560 3HG1 VAL 10 HG13 VAL 10 6.119 3.159 -4.919 561 1HG2 VAL 10 HG21 VAL 10 6.145 0.376 -3.923 562 2HG2 VAL 10 HG22 VAL 10 7.472 1.535 -3.847 563 3HG2 VAL 10 HG23 VAL 10 7.734 -0.062 -4.550 564 H ASP 11 HN ASP 11 6.368 -1.146 -8.771 565 HA ASP 11 HA ASP 11 5.860 -0.996 -10.971 566 1HB ASP 11 HB2 ASP 11 3.602 -0.292 -10.049 567 2HB ASP 11 HB1 ASP 11 4.100 1.362 -10.264 568 H GLU 12 HN GLU 12 5.066 1.774 -11.940 569 HA GLU 12 HA GLU 12 7.722 3.056 -11.937 570 1HB GLU 12 HB2 GLU 12 6.629 3.681 -14.410 571 2HB GLU 12 HB1 GLU 12 7.951 2.555 -14.120 572 1HG GLU 12 HG2 GLU 12 5.175 1.555 -13.863 573 2HG GLU 12 HG1 GLU 12 5.781 1.906 -15.481 574 H LEU 13 HN LEU 13 4.289 3.293 -12.600 575 HA LEU 13 HA LEU 13 4.258 6.148 -12.590 576 1HB LEU 13 HB2 LEU 13 2.097 4.060 -12.458 577 2HB LEU 13 HB1 LEU 13 1.736 5.773 -12.365 578 HG LEU 13 HG LEU 13 1.382 4.993 -14.620 579 1HD1 LEU 13 HD11 LEU 13 2.868 6.524 -15.837 580 2HD1 LEU 13 HD12 LEU 13 3.875 6.671 -14.396 581 3HD1 LEU 13 HD13 LEU 13 2.212 7.251 -14.370 582 1HD2 LEU 13 HD21 LEU 13 3.180 4.072 -15.985 583 2HD2 LEU 13 HD22 LEU 13 2.880 3.056 -14.574 584 3HD2 LEU 13 HD23 LEU 13 4.282 4.130 -14.603 585 H GLY 14 HN GLY 14 4.038 3.674 -10.184 586 1HA GLY 14 HA2 GLY 14 4.898 4.502 -7.995 587 2HA GLY 14 HA1 GLY 14 3.718 5.796 -8.148 588 H ARG 15 HN ARG 15 2.695 2.785 -9.299 589 HA ARG 15 HA ARG 15 1.015 2.513 -6.948 590 1HB ARG 15 HB2 ARG 15 -0.399 1.091 -8.489 591 2HB ARG 15 HB1 ARG 15 -0.311 2.809 -8.844 592 1HG ARG 15 HG2 ARG 15 1.675 1.977 -10.408 593 2HG ARG 15 HG1 ARG 15 0.713 0.493 -10.363 594 1HD ARG 15 HD2 ARG 15 -1.210 1.623 -11.190 595 2HD ARG 15 HD1 ARG 15 -0.428 3.193 -11.017 596 HE ARG 15 HE ARG 15 1.193 1.808 -12.732 597 1HH1 ARG 15 HH11 ARG 15 -2.251 2.514 -12.710 598 2HH1 ARG 15 HH12 ARG 15 -2.343 2.697 -14.433 599 1HH2 ARG 15 HH21 ARG 15 1.049 2.009 -15.013 600 2HH2 ARG 15 HH22 ARG 15 -0.472 2.423 -15.741 601 H VAL 16 HN VAL 16 1.379 0.941 -5.546 602 HA VAL 16 HA VAL 16 3.273 -1.164 -6.203 603 HB VAL 16 HB VAL 16 3.181 0.004 -3.927 604 1HG1 VAL 16 HG11 VAL 16 0.842 -1.817 -3.506 605 2HG1 VAL 16 HG12 VAL 16 0.791 -0.054 -3.575 606 3HG1 VAL 16 HG13 VAL 16 1.654 -0.862 -2.263 607 1HG2 VAL 16 HG21 VAL 16 4.479 -2.015 -4.343 608 2HG2 VAL 16 HG22 VAL 16 3.066 -2.997 -3.959 609 3HG2 VAL 16 HG23 VAL 16 3.813 -1.998 -2.711 610 H VAL 17 HN VAL 17 2.689 -3.194 -6.809 611 HA VAL 17 HA VAL 17 -0.108 -3.623 -7.296 612 HB VAL 17 HB VAL 17 2.081 -5.670 -7.616 613 1HG1 VAL 17 HG11 VAL 17 -0.160 -6.573 -7.731 614 2HG1 VAL 17 HG12 VAL 17 0.589 -6.599 -9.327 615 3HG1 VAL 17 HG13 VAL 17 -0.607 -5.365 -8.935 616 1HG2 VAL 17 HG21 VAL 17 2.314 -4.933 -9.927 617 2HG2 VAL 17 HG22 VAL 17 2.708 -3.626 -8.809 618 3HG2 VAL 17 HG23 VAL 17 1.151 -3.639 -9.638 619 H ILE 18 HN ILE 18 -0.950 -3.556 -5.225 620 HA ILE 18 HA ILE 18 -0.128 -5.339 -3.201 621 HB ILE 18 HB ILE 18 -1.178 -3.524 -2.315 622 1HG1 ILE 18 HG12 ILE 18 -3.454 -5.500 -2.395 623 2HG1 ILE 18 HG11 ILE 18 -2.027 -5.682 -1.375 624 1HG2 ILE 18 HG21 ILE 18 -3.432 -3.829 -4.275 625 2HG2 ILE 18 HG22 ILE 18 -2.158 -2.608 -4.321 626 3HG2 ILE 18 HG23 ILE 18 -3.338 -2.604 -3.008 627 1HD1 ILE 18 HD11 ILE 18 -3.951 -3.375 -1.254 628 2HD1 ILE 18 HD12 ILE 18 -2.590 -3.675 -0.169 629 3HD1 ILE 18 HD13 ILE 18 -3.970 -4.775 -0.181 630 HA PRO 19 HA PRO 19 -1.734 -8.975 -5.105 631 1HB PRO 19 HB2 PRO 19 -1.988 -9.889 -2.284 632 2HB PRO 19 HB1 PRO 19 -1.232 -10.697 -3.666 633 1HG PRO 19 HG2 PRO 19 0.275 -9.513 -1.813 634 2HG PRO 19 HG1 PRO 19 0.703 -9.400 -3.530 635 1HD PRO 19 HD2 PRO 19 -0.545 -7.359 -1.745 636 2HD PRO 19 HD1 PRO 19 0.621 -7.143 -3.067 637 H ILE 20 HN ILE 20 -3.686 -9.720 -5.667 638 HA ILE 20 HA ILE 20 -6.053 -8.475 -4.874 639 HB ILE 20 HB ILE 20 -7.253 -10.257 -6.020 640 1HG1 ILE 20 HG12 ILE 20 -5.486 -11.963 -7.167 641 2HG1 ILE 20 HG11 ILE 20 -4.705 -11.715 -5.605 642 1HG2 ILE 20 HG21 ILE 20 -6.286 -9.952 -8.216 643 2HG2 ILE 20 HG22 ILE 20 -4.747 -9.475 -7.495 644 3HG2 ILE 20 HG23 ILE 20 -6.173 -8.458 -7.283 645 1HD1 ILE 20 HD11 ILE 20 -6.617 -12.527 -4.437 646 2HD1 ILE 20 HD12 ILE 20 -6.206 -13.688 -5.706 647 3HD1 ILE 20 HD13 ILE 20 -7.566 -12.585 -5.927 648 H GLU 21 HN GLU 21 -4.292 -11.051 -3.542 649 HA GLU 21 HA GLU 21 -6.301 -12.420 -2.131 650 1HB GLU 21 HB2 GLU 21 -3.511 -12.327 -1.117 651 2HB GLU 21 HB1 GLU 21 -4.580 -13.704 -1.364 652 1HG GLU 21 HG2 GLU 21 -4.244 -13.562 -3.776 653 2HG GLU 21 HG1 GLU 21 -3.196 -12.160 -3.552 654 H LEU 22 HN LEU 22 -4.069 -9.816 -1.278 655 HA LEU 22 HA LEU 22 -4.948 -9.696 1.420 656 1HB LEU 22 HB2 LEU 22 -3.317 -7.878 -0.309 657 2HB LEU 22 HB1 LEU 22 -3.794 -7.400 1.314 658 HG LEU 22 HG LEU 22 -2.762 -9.712 1.970 659 1HD1 LEU 22 HD11 LEU 22 -0.839 -10.311 0.595 660 2HD1 LEU 22 HD12 LEU 22 -1.326 -9.107 -0.598 661 3HD1 LEU 22 HD13 LEU 22 -2.362 -10.498 -0.275 662 1HD2 LEU 22 HD21 LEU 22 -1.947 -7.570 2.765 663 2HD2 LEU 22 HD22 LEU 22 -1.091 -7.310 1.243 664 3HD2 LEU 22 HD23 LEU 22 -0.594 -8.612 2.326 665 H ARG 23 HN ARG 23 -5.730 -7.857 -1.526 666 HA ARG 23 HA ARG 23 -7.570 -6.154 -0.162 667 1HB ARG 23 HB2 ARG 23 -8.353 -5.487 -2.387 668 2HB ARG 23 HB1 ARG 23 -6.607 -5.418 -2.278 669 1HG ARG 23 HG2 ARG 23 -6.683 -6.432 -4.254 670 2HG ARG 23 HG1 ARG 23 -7.045 -7.898 -3.331 671 1HD ARG 23 HD2 ARG 23 -9.349 -7.642 -3.642 672 2HD ARG 23 HD1 ARG 23 -9.179 -5.979 -4.174 673 HE ARG 23 HE ARG 23 -7.922 -7.142 -6.142 674 1HH1 ARG 23 HH11 ARG 23 -10.762 -8.399 -4.502 675 2HH1 ARG 23 HH12 ARG 23 -11.452 -9.054 -5.962 676 1HH2 ARG 23 HH21 ARG 23 -8.869 -7.997 -8.059 677 2HH2 ARG 23 HH22 ARG 23 -10.390 -8.833 -7.954 678 H ARG 24 HN ARG 24 -7.653 -9.327 -1.284 679 HA ARG 24 HA ARG 24 -10.487 -9.697 -1.312 680 1HB ARG 24 HB2 ARG 24 -8.952 -11.167 -2.538 681 2HB ARG 24 HB1 ARG 24 -8.157 -11.616 -1.036 682 1HG ARG 24 HG2 ARG 24 -11.069 -12.158 -1.406 683 2HG ARG 24 HG1 ARG 24 -9.864 -13.218 -2.142 684 1HD ARG 24 HD2 ARG 24 -8.812 -13.382 0.154 685 2HD ARG 24 HD1 ARG 24 -10.265 -12.600 0.777 686 HE ARG 24 HE ARG 24 -10.174 -15.221 -0.557 687 1HH1 ARG 24 HH11 ARG 24 -11.803 -12.898 1.497 688 2HH1 ARG 24 HH12 ARG 24 -12.926 -14.058 2.137 689 1HH2 ARG 24 HH21 ARG 24 -11.650 -16.749 0.281 690 2HH2 ARG 24 HH22 ARG 24 -12.857 -16.238 1.427 691 H THR 25 HN THR 25 -7.881 -9.767 0.976 692 HA THR 25 HA THR 25 -9.263 -11.020 3.102 693 HB THR 25 HB THR 25 -6.906 -9.134 3.201 694 HG1 THR 25 HG1 THR 25 -6.709 -11.226 2.025 695 1HG2 THR 25 HG21 THR 25 -8.003 -11.027 5.282 696 2HG2 THR 25 HG22 THR 25 -8.009 -9.265 5.365 697 3HG2 THR 25 HG23 THR 25 -6.480 -10.145 5.410 698 H LEU 26 HN LEU 26 -8.829 -7.656 2.118 699 HA LEU 26 HA LEU 26 -10.254 -6.685 4.443 700 1HB LEU 26 HB2 LEU 26 -9.473 -5.113 2.004 701 2HB LEU 26 HB1 LEU 26 -9.940 -4.482 3.566 702 HG LEU 26 HG LEU 26 -7.757 -4.244 3.899 703 1HD1 LEU 26 HD11 LEU 26 -8.178 -6.053 5.435 704 2HD1 LEU 26 HD12 LEU 26 -6.533 -6.139 4.807 705 3HD1 LEU 26 HD13 LEU 26 -7.774 -7.230 4.186 706 1HD2 LEU 26 HD21 LEU 26 -7.260 -4.548 1.568 707 2HD2 LEU 26 HD22 LEU 26 -7.217 -6.298 1.790 708 3HD2 LEU 26 HD23 LEU 26 -6.008 -5.278 2.572 709 H GLY 27 HN GLY 27 -11.063 -7.700 1.287 710 1HA GLY 27 HA2 GLY 27 -13.213 -8.068 0.474 711 2HA GLY 27 HA1 GLY 27 -13.854 -7.071 1.773 712 H ILE 28 HN ILE 28 -11.314 -5.494 0.356 713 HA ILE 28 HA ILE 28 -13.000 -3.615 -1.049 714 HB ILE 28 HB ILE 28 -10.944 -2.373 -1.437 715 1HG1 ILE 28 HG12 ILE 28 -9.493 -4.707 -0.191 716 2HG1 ILE 28 HG11 ILE 28 -9.563 -4.379 -1.923 717 1HG2 ILE 28 HG21 ILE 28 -11.026 -3.512 1.355 718 2HG2 ILE 28 HG22 ILE 28 -11.995 -2.164 0.757 719 3HG2 ILE 28 HG23 ILE 28 -10.242 -2.007 0.875 720 1HD1 ILE 28 HD11 ILE 28 -8.305 -2.679 0.201 721 2HD1 ILE 28 HD12 ILE 28 -8.520 -2.182 -1.476 722 3HD1 ILE 28 HD13 ILE 28 -7.495 -3.567 -1.091 723 H ALA 29 HN ALA 29 -11.057 -2.977 -3.090 724 HA ALA 29 HA ALA 29 -10.801 -5.241 -4.806 725 1HB ALA 29 HB1 ALA 29 -12.847 -3.155 -5.547 726 2HB ALA 29 HB2 ALA 29 -13.205 -4.809 -5.050 727 3HB ALA 29 HB3 ALA 29 -12.332 -4.509 -6.552 728 H GLU 30 HN GLU 30 -10.336 -4.352 -7.136 729 HA GLU 30 HA GLU 30 -8.064 -2.638 -6.871 730 1HB GLU 30 HB2 GLU 30 -7.906 -2.990 -9.353 731 2HB GLU 30 HB1 GLU 30 -7.992 -4.486 -8.432 732 1HG GLU 30 HG2 GLU 30 -10.563 -4.249 -8.870 733 2HG GLU 30 HG1 GLU 30 -10.024 -3.242 -10.215 734 H LYS 31 HN LYS 31 -11.301 -2.355 -8.185 735 HA LYS 31 HA LYS 31 -10.963 0.356 -9.025 736 1HB LYS 31 HB2 LYS 31 -13.530 -1.135 -8.493 737 2HB LYS 31 HB1 LYS 31 -13.335 0.340 -9.428 738 1HG LYS 31 HG2 LYS 31 -11.948 -2.185 -10.214 739 2HG LYS 31 HG1 LYS 31 -13.620 -1.870 -10.685 740 1HD LYS 31 HD2 LYS 31 -12.397 -1.096 -12.511 741 2HD LYS 31 HD1 LYS 31 -12.697 0.374 -11.581 742 1HE LYS 31 HE2 LYS 31 -10.485 0.293 -10.649 743 2HE LYS 31 HE1 LYS 31 -10.179 -1.274 -11.395 744 1HZ LYS 31 HZ1 LYS 31 -10.563 1.313 -12.807 745 2HZ LYS 31 HZ2 LYS 31 -10.391 -0.185 -13.579 746 3HZ LYS 31 HZ3 LYS 31 -9.114 0.447 -12.662 747 H ASP 32 HN ASP 32 -10.993 -1.025 -6.045 748 HA ASP 32 HA ASP 32 -12.693 0.870 -4.728 749 1HB ASP 32 HB2 ASP 32 -12.488 -1.523 -4.041 750 2HB ASP 32 HB1 ASP 32 -10.844 -1.173 -3.556 751 H ALA 33 HN ALA 33 -11.442 1.595 -2.512 752 HA ALA 33 HA ALA 33 -9.056 3.039 -3.433 753 1HB ALA 33 HB1 ALA 33 -11.434 4.371 -2.111 754 2HB ALA 33 HB2 ALA 33 -10.972 4.543 -3.806 755 3HB ALA 33 HB3 ALA 33 -9.906 5.151 -2.535 756 H LEU 34 HN LEU 34 -7.676 3.586 -1.756 757 HA LEU 34 HA LEU 34 -8.344 2.377 0.834 758 1HB LEU 34 HB2 LEU 34 -5.771 2.204 -0.739 759 2HB LEU 34 HB1 LEU 34 -5.918 1.738 0.946 760 HG LEU 34 HG LEU 34 -7.554 0.490 -1.270 761 1HD1 LEU 34 HD11 LEU 34 -6.009 -1.418 -1.059 762 2HD1 LEU 34 HD12 LEU 34 -5.001 -0.475 0.043 763 3HD1 LEU 34 HD13 LEU 34 -5.185 0.030 -1.639 764 1HD2 LEU 34 HD21 LEU 34 -8.510 0.369 0.983 765 2HD2 LEU 34 HD22 LEU 34 -7.006 -0.331 1.588 766 3HD2 LEU 34 HD23 LEU 34 -7.983 -1.216 0.417 767 H GLU 35 HN GLU 35 -7.959 3.673 2.495 768 HA GLU 35 HA GLU 35 -6.889 6.303 1.967 769 1HB GLU 35 HB2 GLU 35 -9.047 5.766 3.284 770 2HB GLU 35 HB1 GLU 35 -7.966 5.315 4.597 771 1HG GLU 35 HG2 GLU 35 -7.041 7.514 4.666 772 2HG GLU 35 HG1 GLU 35 -7.927 7.969 3.212 773 H ILE 36 HN ILE 36 -4.812 6.323 1.935 774 HA ILE 36 HA ILE 36 -3.293 4.436 3.545 775 HB ILE 36 HB ILE 36 -2.471 6.366 1.400 776 1HG1 ILE 36 HG12 ILE 36 -1.979 3.694 0.671 777 2HG1 ILE 36 HG11 ILE 36 -3.598 3.727 1.369 778 1HG2 ILE 36 HG21 ILE 36 -0.355 4.867 1.456 779 2HG2 ILE 36 HG22 ILE 36 -0.887 4.483 3.100 780 3HG2 ILE 36 HG23 ILE 36 -0.529 6.151 2.651 781 1HD1 ILE 36 HD11 ILE 36 -4.193 5.544 -0.167 782 2HD1 ILE 36 HD12 ILE 36 -3.721 4.062 -1.003 783 3HD1 ILE 36 HD13 ILE 36 -2.594 5.417 -0.905 784 H TYR 37 HN TYR 37 -2.072 4.881 5.192 785 HA TYR 37 HA TYR 37 -1.536 7.675 5.997 786 1HB TYR 37 HB2 TYR 37 -1.865 5.447 7.997 787 2HB TYR 37 HB1 TYR 37 -1.964 7.187 8.247 788 HD1 TYR 37 HD1 TYR 37 -4.045 8.399 7.673 789 HD2 TYR 37 HD2 TYR 37 -3.779 4.165 7.369 790 HE1 TYR 37 HE1 TYR 37 -6.502 8.249 7.652 791 HE2 TYR 37 HE2 TYR 37 -6.231 4.004 7.338 792 HH TYR 37 HH TYR 37 -8.267 6.747 6.960 793 H VAL 38 HN VAL 38 0.269 7.466 7.846 794 HA VAL 38 HA VAL 38 2.057 5.210 7.434 795 HB VAL 38 HB VAL 38 2.824 8.024 6.723 796 1HG1 VAL 38 HG11 VAL 38 5.218 7.236 6.741 797 2HG1 VAL 38 HG12 VAL 38 4.664 5.870 7.719 798 3HG1 VAL 38 HG13 VAL 38 4.490 7.517 8.323 799 1HG2 VAL 38 HG21 VAL 38 3.391 5.371 5.424 800 2HG2 VAL 38 HG22 VAL 38 3.909 6.944 4.817 801 3HG2 VAL 38 HG23 VAL 38 2.191 6.555 4.902 802 H ASP 39 HN ASP 39 3.200 4.677 9.173 803 HA ASP 39 HA ASP 39 3.024 6.433 11.530 804 1HB ASP 39 HB2 ASP 39 1.576 4.505 11.862 805 2HB ASP 39 HB1 ASP 39 2.883 3.411 11.420 806 H ASP 40 HN ASP 40 4.908 7.034 12.342 807 HA ASP 40 HA ASP 40 7.134 7.411 12.441 808 1HB ASP 40 HB2 ASP 40 6.963 4.454 12.423 809 2HB ASP 40 HB1 ASP 40 8.545 5.139 12.042 810 H GLU 41 HN GLU 41 7.550 4.713 10.285 811 HA GLU 41 HA GLU 41 7.864 6.457 7.979 812 1HB GLU 41 HB2 GLU 41 10.057 5.361 7.435 813 2HB GLU 41 HB1 GLU 41 10.108 6.418 8.840 814 1HG GLU 41 HG2 GLU 41 10.063 4.537 10.334 815 2HG GLU 41 HG1 GLU 41 9.827 3.425 8.979 816 H LYS 42 HN LYS 42 5.944 4.406 8.848 817 HA LYS 42 HA LYS 42 6.330 2.591 6.598 818 1HB LYS 42 HB2 LYS 42 5.617 0.702 7.812 819 2HB LYS 42 HB1 LYS 42 6.681 1.545 8.929 820 1HG LYS 42 HG2 LYS 42 4.597 2.622 9.880 821 2HG LYS 42 HG1 LYS 42 3.685 1.433 8.951 822 1HD LYS 42 HD2 LYS 42 4.996 -0.356 10.104 823 2HD LYS 42 HD1 LYS 42 5.710 0.899 11.120 824 1HE LYS 42 HE2 LYS 42 3.277 1.558 11.647 825 2HE LYS 42 HE1 LYS 42 2.856 -0.028 10.983 826 1HZ LYS 42 HZ1 LYS 42 4.839 0.323 13.167 827 2HZ LYS 42 HZ2 LYS 42 4.083 -1.109 12.666 828 3HZ LYS 42 HZ3 LYS 42 3.187 0.093 13.465 829 H ILE 43 HN ILE 43 4.495 1.769 5.604 830 HA ILE 43 HA ILE 43 2.525 3.905 5.390 831 HB ILE 43 HB ILE 43 3.057 1.549 3.579 832 1HG1 ILE 43 HG12 ILE 43 3.976 4.375 3.099 833 2HG1 ILE 43 HG11 ILE 43 4.967 3.234 4.005 834 1HG2 ILE 43 HG21 ILE 43 1.283 3.923 3.422 835 2HG2 ILE 43 HG22 ILE 43 1.011 2.257 2.897 836 3HG2 ILE 43 HG23 ILE 43 2.034 3.328 1.935 837 1HD1 ILE 43 HD11 ILE 43 4.002 2.881 1.180 838 2HD1 ILE 43 HD12 ILE 43 4.986 1.732 2.086 839 3HD1 ILE 43 HD13 ILE 43 5.634 3.321 1.680 840 H ILE 44 HN ILE 44 0.339 3.602 5.602 841 HA ILE 44 HA ILE 44 -0.553 0.959 6.580 842 HB ILE 44 HB ILE 44 -2.106 3.220 7.615 843 1HG1 ILE 44 HG12 ILE 44 0.206 4.191 7.702 844 2HG1 ILE 44 HG11 ILE 44 -0.576 4.024 9.267 845 1HG2 ILE 44 HG21 ILE 44 -1.939 1.917 9.699 846 2HG2 ILE 44 HG22 ILE 44 -0.806 0.826 8.903 847 3HG2 ILE 44 HG23 ILE 44 -2.468 0.942 8.329 848 1HD1 ILE 44 HD11 ILE 44 1.878 3.427 9.098 849 2HD1 ILE 44 HD12 ILE 44 1.354 1.978 8.232 850 3HD1 ILE 44 HD13 ILE 44 0.821 2.255 9.892 851 H LEU 45 HN LEU 45 -1.749 0.246 4.871 852 HA LEU 45 HA LEU 45 -3.527 2.138 3.518 853 1HB LEU 45 HB2 LEU 45 -2.457 -0.581 2.852 854 2HB LEU 45 HB1 LEU 45 -3.985 -0.079 2.143 855 HG LEU 45 HG LEU 45 -2.828 1.916 1.188 856 1HD1 LEU 45 HD11 LEU 45 -0.370 1.856 1.075 857 2HD1 LEU 45 HD12 LEU 45 -0.368 0.510 2.215 858 3HD1 LEU 45 HD13 LEU 45 -0.970 2.091 2.717 859 1HD2 LEU 45 HD21 LEU 45 -3.224 -0.126 -0.122 860 2HD2 LEU 45 HD22 LEU 45 -1.665 -0.758 0.411 861 3HD2 LEU 45 HD23 LEU 45 -1.732 0.687 -0.597 862 H LYS 46 HN LYS 46 -5.407 2.400 4.580 863 HA LYS 46 HA LYS 46 -6.864 -0.076 5.298 864 1HB LYS 46 HB2 LYS 46 -6.622 1.319 7.260 865 2HB LYS 46 HB1 LYS 46 -7.154 2.743 6.378 866 1HG LYS 46 HG2 LYS 46 -9.382 1.993 6.303 867 2HG LYS 46 HG1 LYS 46 -8.930 0.352 6.772 868 1HD LYS 46 HD2 LYS 46 -8.428 2.684 8.589 869 2HD LYS 46 HD1 LYS 46 -10.003 1.886 8.542 870 1HE LYS 46 HE2 LYS 46 -8.853 -0.269 9.017 871 2HE LYS 46 HE1 LYS 46 -7.343 0.623 9.199 872 1HZ LYS 46 HZ1 LYS 46 -8.482 0.149 11.324 873 2HZ LYS 46 HZ2 LYS 46 -9.781 1.119 10.819 874 3HZ LYS 46 HZ3 LYS 46 -8.246 1.807 11.048 875 H LYS 47 HN LYS 47 -9.072 -0.173 4.637 876 HA LYS 47 HA LYS 47 -9.556 0.739 2.036 877 1HB LYS 47 HB2 LYS 47 -11.858 -0.018 2.370 878 2HB LYS 47 HB1 LYS 47 -10.731 -1.179 3.064 879 1HG LYS 47 HG2 LYS 47 -11.230 -0.495 5.266 880 2HG LYS 47 HG1 LYS 47 -12.121 0.925 4.706 881 1HD LYS 47 HD2 LYS 47 -13.825 -0.545 5.241 882 2HD LYS 47 HD1 LYS 47 -13.612 -0.850 3.514 883 1HE LYS 47 HE2 LYS 47 -13.672 -2.989 4.394 884 2HE LYS 47 HE1 LYS 47 -11.942 -2.655 4.282 885 1HZ LYS 47 HZ1 LYS 47 -11.826 -2.239 6.593 886 2HZ LYS 47 HZ2 LYS 47 -12.710 -3.675 6.426 887 3HZ LYS 47 HZ3 LYS 47 -13.508 -2.222 6.765 888 H TYR 48 HN TYR 48 -10.785 2.467 1.221 889 HA TYR 48 HA TYR 48 -10.544 4.860 2.655 890 1HB TYR 48 HB2 TYR 48 -11.371 5.932 0.794 891 2HB TYR 48 HB1 TYR 48 -10.808 4.421 0.090 892 HD1 TYR 48 HD1 TYR 48 -12.601 2.560 -0.239 893 HD2 TYR 48 HD2 TYR 48 -13.541 6.652 0.467 894 HE1 TYR 48 HE1 TYR 48 -14.847 2.205 -1.178 895 HE2 TYR 48 HE2 TYR 48 -15.787 6.305 -0.464 896 HH TYR 48 HH TYR 48 -16.901 4.738 -2.037 897 H LYS 49 HN LYS 49 -12.223 6.267 3.503 898 HA LYS 49 HA LYS 49 -13.904 4.804 5.246 899 1HB LYS 49 HB2 LYS 49 -12.833 7.084 5.656 900 2HB LYS 49 HB1 LYS 49 -14.124 7.753 4.669 901 1HG LYS 49 HG2 LYS 49 -14.550 7.920 7.087 902 2HG LYS 49 HG1 LYS 49 -15.790 6.995 6.234 903 1HD LYS 49 HD2 LYS 49 -15.284 5.833 8.251 904 2HD LYS 49 HD1 LYS 49 -14.543 4.921 6.931 905 1HE LYS 49 HE2 LYS 49 -12.764 4.985 8.349 906 2HE LYS 49 HE1 LYS 49 -12.508 6.510 7.501 907 1HZ LYS 49 HZ1 LYS 49 -13.969 6.280 10.068 908 2HZ LYS 49 HZ2 LYS 49 -13.485 7.711 9.290 909 3HZ LYS 49 HZ3 LYS 49 -12.323 6.666 9.951 910 HA PRO 50 HA PRO 50 -17.101 4.459 2.182 911 1HB PRO 50 HB2 PRO 50 -18.393 2.400 3.264 912 2HB PRO 50 HB1 PRO 50 -16.768 2.198 2.598 913 1HG PRO 50 HG2 PRO 50 -17.630 2.466 5.445 914 2HG PRO 50 HG1 PRO 50 -16.396 1.405 4.742 915 1HD PRO 50 HD2 PRO 50 -15.896 3.832 5.999 916 2HD PRO 50 HD1 PRO 50 -14.796 3.008 4.883 917 H ASN 51 HN ASN 51 -17.284 6.255 4.649 918 HA ASN 51 HA ASN 51 -20.014 6.056 5.467 919 1HB ASN 51 HB2 ASN 51 -18.347 6.936 6.987 920 2HB ASN 51 HB1 ASN 51 -17.992 8.253 5.875 921 1HD2 ASN 51 HD21 ASN 51 -18.538 9.870 7.277 922 2HD2 ASN 51 HD22 ASN 51 -20.168 10.165 7.808 923 H MET 52 HN MET 52 -21.231 6.166 3.610 924 HA MET 52 HA MET 52 -21.024 8.566 1.959 925 1HB MET 52 HB2 MET 52 -22.795 6.127 1.675 926 2HB MET 52 HB1 MET 52 -22.705 7.456 0.528 927 1HG MET 52 HG2 MET 52 -20.341 6.923 0.127 928 2HG MET 52 HG1 MET 52 -20.485 5.557 1.235 929 1HE MET 52 HE1 MET 52 -19.394 5.236 -1.725 930 2HE MET 52 HE2 MET 52 -20.248 3.784 -2.247 931 3HE MET 52 HE3 MET 52 -19.592 3.882 -0.613 932 H THR 53 HN THR 53 -22.145 10.286 2.536 933 HA THR 53 HA THR 53 -24.477 9.950 4.261 934 HB THR 53 HB THR 53 -24.290 12.413 4.577 935 HG1 THR 53 HG1 THR 53 -23.069 12.743 2.577 936 1HG2 THR 53 HG21 THR 53 -21.816 10.818 5.245 937 2HG2 THR 53 HG22 THR 53 -23.309 10.845 6.183 938 3HG2 THR 53 HG23 THR 53 -22.331 12.306 6.040 Start of MODEL 5 1 1H MET 1 HT1 MET 1 5.604 15.728 6.198 2 2H MET 1 HT2 MET 1 5.147 14.989 7.655 3 3H MET 1 HT3 MET 1 4.509 14.432 6.187 4 HA MET 1 HA MET 1 6.667 13.691 5.472 5 1HB MET 1 HB2 MET 1 7.497 14.949 8.068 6 2HB MET 1 HB1 MET 1 8.454 13.660 7.351 7 1HG MET 1 HG2 MET 1 7.771 16.293 6.063 8 2HG MET 1 HG1 MET 1 9.329 15.841 6.753 9 1HE MET 1 HE1 MET 1 9.076 16.994 3.836 10 2HE MET 1 HE2 MET 1 10.108 15.896 2.919 11 3HE MET 1 HE3 MET 1 10.614 16.456 4.515 12 H LYS 2 HN LYS 2 4.206 12.891 7.032 13 HA LYS 2 HA LYS 2 5.135 10.183 7.378 14 1HB LYS 2 HB2 LYS 2 4.114 9.831 9.567 15 2HB LYS 2 HB1 LYS 2 5.356 11.066 9.673 16 1HG LYS 2 HG2 LYS 2 3.791 12.777 9.970 17 2HG LYS 2 HG1 LYS 2 2.466 11.787 9.355 18 1HD LYS 2 HD2 LYS 2 3.942 11.338 11.949 19 2HD LYS 2 HD1 LYS 2 2.322 12.027 11.784 20 1HE LYS 2 HE2 LYS 2 1.652 9.896 10.623 21 2HE LYS 2 HE1 LYS 2 3.219 9.237 11.085 22 1HZ LYS 2 HZ1 LYS 2 1.126 10.203 12.956 23 2HZ LYS 2 HZ2 LYS 2 2.641 9.600 13.412 24 3HZ LYS 2 HZ3 LYS 2 1.518 8.583 12.653 25 H SER 3 HN SER 3 2.422 9.750 8.802 26 HA SER 3 HA SER 3 0.814 8.935 6.767 27 1HB SER 3 HB2 SER 3 -1.030 9.102 8.373 28 2HB SER 3 HB1 SER 3 0.437 8.565 9.199 29 HG SER 3 HG SER 3 -0.986 10.930 9.449 30 H THR 4 HN THR 4 -0.387 9.785 5.291 31 HA THR 4 HA THR 4 -0.698 12.676 5.237 32 HB THR 4 HB THR 4 -1.483 12.173 2.852 33 HG1 THR 4 HG1 THR 4 -1.847 9.917 3.209 34 1HG2 THR 4 HG21 THR 4 0.768 13.048 3.441 35 2HG2 THR 4 HG22 THR 4 0.790 12.004 2.019 36 3HG2 THR 4 HG23 THR 4 1.345 11.387 3.575 37 H GLY 5 HN GLY 5 -2.465 9.681 5.392 38 1HA GLY 5 HA2 GLY 5 -4.691 9.237 5.756 39 2HA GLY 5 HA1 GLY 5 -4.929 10.956 6.091 40 H ILE 6 HN ILE 6 -3.725 9.208 3.312 41 HA ILE 6 HA ILE 6 -5.457 10.836 1.583 42 HB ILE 6 HB ILE 6 -2.551 10.509 1.695 43 1HG1 ILE 6 HG12 ILE 6 -2.614 12.561 0.302 44 2HG1 ILE 6 HG11 ILE 6 -4.352 12.368 0.103 45 1HG2 ILE 6 HG21 ILE 6 -3.855 10.124 -1.011 46 2HG2 ILE 6 HG22 ILE 6 -2.902 8.929 -0.131 47 3HG2 ILE 6 HG23 ILE 6 -2.139 10.405 -0.721 48 1HD1 ILE 6 HD11 ILE 6 -3.791 14.052 1.773 49 2HD1 ILE 6 HD12 ILE 6 -2.936 12.831 2.717 50 3HD1 ILE 6 HD13 ILE 6 -4.678 12.702 2.479 51 H VAL 7 HN VAL 7 -6.720 9.692 0.184 52 HA VAL 7 HA VAL 7 -6.307 6.791 0.241 53 HB VAL 7 HB VAL 7 -8.536 6.436 -0.269 54 1HG1 VAL 7 HG11 VAL 7 -9.817 7.923 1.327 55 2HG1 VAL 7 HG12 VAL 7 -8.290 8.769 1.592 56 3HG1 VAL 7 HG13 VAL 7 -8.430 7.049 1.982 57 1HG2 VAL 7 HG21 VAL 7 -8.654 9.278 -1.216 58 2HG2 VAL 7 HG22 VAL 7 -10.108 8.352 -0.846 59 3HG2 VAL 7 HG23 VAL 7 -9.007 7.792 -2.105 60 H ARG 8 HN ARG 8 -6.313 5.541 -1.614 61 HA ARG 8 HA ARG 8 -6.141 6.911 -4.209 62 1HB ARG 8 HB2 ARG 8 -4.114 5.019 -3.031 63 2HB ARG 8 HB1 ARG 8 -4.230 5.309 -4.760 64 1HG ARG 8 HG2 ARG 8 -3.608 7.330 -2.627 65 2HG ARG 8 HG1 ARG 8 -2.499 6.676 -3.841 66 1HD ARG 8 HD2 ARG 8 -4.063 7.556 -5.582 67 2HD ARG 8 HD1 ARG 8 -4.917 8.389 -4.289 68 HE ARG 8 HE ARG 8 -2.155 8.945 -5.162 69 1HH1 ARG 8 HH11 ARG 8 -5.024 9.859 -3.365 70 2HH1 ARG 8 HH12 ARG 8 -4.482 11.489 -3.088 71 1HH2 ARG 8 HH21 ARG 8 -1.441 11.070 -4.791 72 2HH2 ARG 8 HH22 ARG 8 -2.438 12.176 -3.894 73 H LYS 9 HN LYS 9 -6.817 5.687 -5.961 74 HA LYS 9 HA LYS 9 -8.388 3.343 -5.458 75 1HB LYS 9 HB2 LYS 9 -7.462 4.664 -8.020 76 2HB LYS 9 HB1 LYS 9 -8.571 3.301 -7.959 77 1HG LYS 9 HG2 LYS 9 -9.205 5.767 -6.424 78 2HG LYS 9 HG1 LYS 9 -9.469 5.736 -8.173 79 1HD LYS 9 HD2 LYS 9 -11.451 4.802 -7.719 80 2HD LYS 9 HD1 LYS 9 -10.545 3.337 -7.340 81 1HE LYS 9 HE2 LYS 9 -11.863 3.612 -5.458 82 2HE LYS 9 HE1 LYS 9 -10.343 4.366 -4.979 83 1HZ LYS 9 HZ1 LYS 9 -12.634 5.895 -6.084 84 2HZ LYS 9 HZ2 LYS 9 -11.247 6.513 -5.331 85 3HZ LYS 9 HZ3 LYS 9 -12.392 5.647 -4.427 86 H VAL 10 HN VAL 10 -7.988 1.253 -6.178 87 HA VAL 10 HA VAL 10 -5.183 0.504 -6.099 88 HB VAL 10 HB VAL 10 -7.636 -1.269 -6.173 89 1HG1 VAL 10 HG11 VAL 10 -6.123 -2.917 -5.069 90 2HG1 VAL 10 HG12 VAL 10 -4.774 -1.844 -5.448 91 3HG1 VAL 10 HG13 VAL 10 -5.731 -2.557 -6.749 92 1HG2 VAL 10 HG21 VAL 10 -7.744 0.205 -4.258 93 2HG2 VAL 10 HG22 VAL 10 -6.091 -0.215 -3.810 94 3HG2 VAL 10 HG23 VAL 10 -7.363 -1.435 -3.736 95 H ASP 11 HN ASP 11 -6.650 1.715 -8.507 96 HA ASP 11 HA ASP 11 -6.171 1.786 -10.708 97 1HB ASP 11 HB2 ASP 11 -3.877 1.196 -10.014 98 2HB ASP 11 HB1 ASP 11 -4.298 -0.508 -10.056 99 H GLU 12 HN GLU 12 -5.372 -1.213 -11.643 100 HA GLU 12 HA GLU 12 -8.087 -2.267 -11.809 101 1HB GLU 12 HB2 GLU 12 -7.379 -2.755 -14.331 102 2HB GLU 12 HB1 GLU 12 -8.217 -1.272 -13.869 103 1HG GLU 12 HG2 GLU 12 -5.852 -0.303 -13.600 104 2HG GLU 12 HG1 GLU 12 -5.340 -1.702 -14.544 105 H LEU 13 HN LEU 13 -4.664 -2.651 -12.504 106 HA LEU 13 HA LEU 13 -4.895 -5.534 -12.536 107 1HB LEU 13 HB2 LEU 13 -2.591 -3.629 -12.847 108 2HB LEU 13 HB1 LEU 13 -2.336 -5.355 -12.670 109 HG LEU 13 HG LEU 13 -2.270 -4.771 -15.011 110 1HD1 LEU 13 HD11 LEU 13 -4.036 -6.256 -15.864 111 2HD1 LEU 13 HD12 LEU 13 -4.794 -6.238 -14.271 112 3HD1 LEU 13 HD13 LEU 13 -3.186 -6.934 -14.476 113 1HD2 LEU 13 HD21 LEU 13 -4.222 -3.858 -16.180 114 2HD2 LEU 13 HD22 LEU 13 -3.602 -2.731 -14.975 115 3HD2 LEU 13 HD23 LEU 13 -5.065 -3.664 -14.637 116 H GLY 14 HN GLY 14 -4.848 -3.254 -10.177 117 1HA GLY 14 HA2 GLY 14 -5.260 -3.949 -7.946 118 2HA GLY 14 HA1 GLY 14 -4.244 -5.360 -8.220 119 H ARG 15 HN ARG 15 -2.976 -2.484 -9.426 120 HA ARG 15 HA ARG 15 -1.174 -2.336 -7.158 121 1HB ARG 15 HB2 ARG 15 0.211 -0.937 -8.733 122 2HB ARG 15 HB1 ARG 15 -0.008 -2.616 -9.196 123 1HG ARG 15 HG2 ARG 15 -2.050 -1.523 -10.540 124 2HG ARG 15 HG1 ARG 15 -0.946 -0.137 -10.492 125 1HD ARG 15 HD2 ARG 15 0.811 -1.451 -11.497 126 2HD ARG 15 HD1 ARG 15 -0.196 -2.898 -11.453 127 HE ARG 15 HE ARG 15 -1.664 -1.122 -12.904 128 1HH1 ARG 15 HH11 ARG 15 1.661 -2.222 -13.161 129 2HH1 ARG 15 HH12 ARG 15 1.641 -2.243 -14.894 130 1HH2 ARG 15 HH21 ARG 15 -1.663 -1.112 -15.188 131 2HH2 ARG 15 HH22 ARG 15 -0.236 -1.634 -16.044 132 H VAL 16 HN VAL 16 -1.530 -0.832 -5.657 133 HA VAL 16 HA VAL 16 -3.382 1.328 -6.239 134 HB VAL 16 HB VAL 16 -3.256 0.016 -4.006 135 1HG1 VAL 16 HG11 VAL 16 -0.871 0.213 -3.656 136 2HG1 VAL 16 HG12 VAL 16 -1.792 0.877 -2.302 137 3HG1 VAL 16 HG13 VAL 16 -1.044 1.961 -3.478 138 1HG2 VAL 16 HG21 VAL 16 -3.329 3.022 -3.983 139 2HG2 VAL 16 HG22 VAL 16 -3.970 1.971 -2.719 140 3HG2 VAL 16 HG23 VAL 16 -4.684 1.947 -4.331 141 H VAL 17 HN VAL 17 -2.756 3.359 -6.773 142 HA VAL 17 HA VAL 17 0.045 3.729 -7.276 143 HB VAL 17 HB VAL 17 -2.100 5.834 -7.548 144 1HG1 VAL 17 HG11 VAL 17 0.592 5.501 -8.857 145 2HG1 VAL 17 HG12 VAL 17 0.160 6.691 -7.629 146 3HG1 VAL 17 HG13 VAL 17 -0.576 6.769 -9.231 147 1HG2 VAL 17 HG21 VAL 17 -2.304 5.154 -9.892 148 2HG2 VAL 17 HG22 VAL 17 -2.781 3.856 -8.798 149 3HG2 VAL 17 HG23 VAL 17 -1.207 3.805 -9.594 150 H ILE 18 HN ILE 18 0.907 3.602 -5.219 151 HA ILE 18 HA ILE 18 0.097 5.289 -3.125 152 HB ILE 18 HB ILE 18 1.223 3.462 -2.349 153 1HG1 ILE 18 HG12 ILE 18 3.403 5.543 -2.337 154 2HG1 ILE 18 HG11 ILE 18 1.980 5.599 -1.299 155 1HG2 ILE 18 HG21 ILE 18 3.423 3.956 -4.328 156 2HG2 ILE 18 HG22 ILE 18 2.233 2.655 -4.369 157 3HG2 ILE 18 HG23 ILE 18 3.444 2.701 -3.090 158 1HD1 ILE 18 HD11 ILE 18 2.655 3.521 -0.241 159 2HD1 ILE 18 HD12 ILE 18 3.933 4.732 -0.134 160 3HD1 ILE 18 HD13 ILE 18 4.055 3.423 -1.311 161 HA PRO 19 HA PRO 19 1.438 9.051 -4.915 162 1HB PRO 19 HB2 PRO 19 1.779 9.828 -2.053 163 2HB PRO 19 HB1 PRO 19 0.957 10.692 -3.362 164 1HG PRO 19 HG2 PRO 19 -0.470 9.361 -1.562 165 2HG PRO 19 HG1 PRO 19 -0.911 9.282 -3.279 166 1HD PRO 19 HD2 PRO 19 0.473 7.249 -1.586 167 2HD PRO 19 HD1 PRO 19 -0.716 7.020 -2.885 168 H ILE 20 HN ILE 20 3.275 10.000 -5.498 169 HA ILE 20 HA ILE 20 5.769 8.903 -4.983 170 HB ILE 20 HB ILE 20 6.724 10.897 -6.016 171 1HG1 ILE 20 HG12 ILE 20 4.741 12.556 -6.826 172 2HG1 ILE 20 HG11 ILE 20 4.112 12.081 -5.249 173 1HG2 ILE 20 HG21 ILE 20 5.557 10.776 -8.144 174 2HG2 ILE 20 HG22 ILE 20 4.158 10.054 -7.349 175 3HG2 ILE 20 HG23 ILE 20 5.686 9.176 -7.407 176 1HD1 ILE 20 HD11 ILE 20 5.424 14.164 -5.194 177 2HD1 ILE 20 HD12 ILE 20 6.844 13.250 -5.713 178 3HD1 ILE 20 HD13 ILE 20 6.085 12.897 -4.156 179 H GLU 21 HN GLU 21 3.922 11.233 -3.286 180 HA GLU 21 HA GLU 21 5.982 12.566 -1.889 181 1HB GLU 21 HB2 GLU 21 3.271 12.361 -0.688 182 2HB GLU 21 HB1 GLU 21 4.281 13.778 -0.948 183 1HG GLU 21 HG2 GLU 21 3.749 13.655 -3.370 184 2HG GLU 21 HG1 GLU 21 2.634 12.328 -3.018 185 H LEU 22 HN LEU 22 3.809 9.907 -1.102 186 HA LEU 22 HA LEU 22 4.789 9.615 1.534 187 1HB LEU 22 HB2 LEU 22 3.103 7.926 -0.255 188 2HB LEU 22 HB1 LEU 22 3.673 7.299 1.287 189 HG LEU 22 HG LEU 22 2.682 9.591 2.158 190 1HD1 LEU 22 HD11 LEU 22 0.594 10.122 0.990 191 2HD1 LEU 22 HD12 LEU 22 1.040 8.994 -0.291 192 3HD1 LEU 22 HD13 LEU 22 2.021 10.431 0.002 193 1HD2 LEU 22 HD21 LEU 22 1.048 7.140 1.521 194 2HD2 LEU 22 HD22 LEU 22 0.630 8.373 2.712 195 3HD2 LEU 22 HD23 LEU 22 2.067 7.377 2.940 196 H ARG 23 HN ARG 23 5.501 7.994 -1.543 197 HA ARG 23 HA ARG 23 7.353 6.206 -0.306 198 1HB ARG 23 HB2 ARG 23 7.935 5.500 -2.531 199 2HB ARG 23 HB1 ARG 23 6.197 5.714 -2.464 200 1HG ARG 23 HG2 ARG 23 6.650 6.666 -4.475 201 2HG ARG 23 HG1 ARG 23 6.781 8.087 -3.432 202 1HD ARG 23 HD2 ARG 23 9.186 7.860 -3.365 203 2HD ARG 23 HD1 ARG 23 9.105 6.354 -4.273 204 HE ARG 23 HE ARG 23 7.947 8.081 -5.967 205 1HH1 ARG 23 HH11 ARG 23 10.954 8.176 -4.174 206 2HH1 ARG 23 HH12 ARG 23 11.752 9.227 -5.305 207 1HH2 ARG 23 HH21 ARG 23 9.000 9.431 -7.478 208 2HH2 ARG 23 HH22 ARG 23 10.648 9.905 -7.209 209 H ARG 24 HN ARG 24 7.391 9.443 -1.173 210 HA ARG 24 HA ARG 24 10.259 9.774 -1.182 211 1HB ARG 24 HB2 ARG 24 8.893 11.273 -2.456 212 2HB ARG 24 HB1 ARG 24 7.914 11.653 -1.047 213 1HG ARG 24 HG2 ARG 24 10.817 12.261 -0.970 214 2HG ARG 24 HG1 ARG 24 9.759 13.290 -1.943 215 1HD ARG 24 HD2 ARG 24 8.286 13.493 0.083 216 2HD ARG 24 HD1 ARG 24 9.570 12.695 0.992 217 HE ARG 24 HE ARG 24 10.927 14.605 0.705 218 1HH1 ARG 24 HH11 ARG 24 7.788 14.983 -0.782 219 2HH1 ARG 24 HH12 ARG 24 7.837 16.718 -0.772 220 1HH2 ARG 24 HH21 ARG 24 11.001 16.914 0.718 221 2HH2 ARG 24 HH22 ARG 24 9.649 17.809 0.095 222 H THR 25 HN THR 25 7.654 9.649 1.072 223 HA THR 25 HA THR 25 8.951 10.937 3.246 224 HB THR 25 HB THR 25 6.710 8.909 3.262 225 HG1 THR 25 HG1 THR 25 6.577 11.161 2.163 226 1HG2 THR 25 HG21 THR 25 7.576 10.876 5.385 227 2HG2 THR 25 HG22 THR 25 7.772 9.125 5.454 228 3HG2 THR 25 HG23 THR 25 6.157 9.831 5.465 229 H LEU 26 HN LEU 26 8.549 7.588 2.216 230 HA LEU 26 HA LEU 26 10.308 6.635 4.316 231 1HB LEU 26 HB2 LEU 26 9.286 5.064 1.965 232 2HB LEU 26 HB1 LEU 26 9.952 4.442 3.458 233 HG LEU 26 HG LEU 26 7.764 4.073 3.864 234 1HD1 LEU 26 HD11 LEU 26 7.942 6.957 4.672 235 2HD1 LEU 26 HD12 LEU 26 8.482 5.573 5.624 236 3HD1 LEU 26 HD13 LEU 26 6.767 5.783 5.269 237 1HD2 LEU 26 HD21 LEU 26 5.904 5.274 2.983 238 2HD2 LEU 26 HD22 LEU 26 7.043 4.926 1.681 239 3HD2 LEU 26 HD23 LEU 26 6.966 6.544 2.379 240 H GLY 27 HN GLY 27 10.578 7.905 1.217 241 1HA GLY 27 HA2 GLY 27 12.420 8.376 -0.064 242 2HA GLY 27 HA1 GLY 27 13.415 7.658 1.183 243 H ILE 28 HN ILE 28 10.909 5.676 0.071 244 HA ILE 28 HA ILE 28 12.674 3.853 -1.270 245 HB ILE 28 HB ILE 28 10.697 2.486 -1.618 246 1HG1 ILE 28 HG12 ILE 28 9.100 4.822 -0.568 247 2HG1 ILE 28 HG11 ILE 28 9.228 4.362 -2.268 248 1HG2 ILE 28 HG21 ILE 28 11.684 2.442 0.610 249 2HG2 ILE 28 HG22 ILE 28 9.937 2.210 0.689 250 3HG2 ILE 28 HG23 ILE 28 10.640 3.773 1.110 251 1HD1 ILE 28 HD11 ILE 28 8.265 2.174 -1.698 252 2HD1 ILE 28 HD12 ILE 28 7.175 3.528 -1.387 253 3HD1 ILE 28 HD13 ILE 28 8.018 2.745 -0.048 254 H ALA 29 HN ALA 29 10.880 3.025 -3.343 255 HA ALA 29 HA ALA 29 10.475 5.216 -5.138 256 1HB ALA 29 HB1 ALA 29 12.912 5.013 -5.289 257 2HB ALA 29 HB2 ALA 29 12.133 4.567 -6.807 258 3HB ALA 29 HB3 ALA 29 12.743 3.312 -5.726 259 H GLU 30 HN GLU 30 10.139 4.251 -7.434 260 HA GLU 30 HA GLU 30 7.973 2.425 -7.259 261 1HB GLU 30 HB2 GLU 30 7.990 2.616 -9.745 262 2HB GLU 30 HB1 GLU 30 8.071 4.197 -8.963 263 1HG GLU 30 HG2 GLU 30 10.520 4.187 -9.262 264 2HG GLU 30 HG1 GLU 30 10.395 2.637 -10.090 265 H LYS 31 HN LYS 31 11.285 2.186 -8.340 266 HA LYS 31 HA LYS 31 11.043 -0.531 -9.206 267 1HB LYS 31 HB2 LYS 31 13.554 1.053 -8.689 268 2HB LYS 31 HB1 LYS 31 13.381 -0.379 -9.694 269 1HG LYS 31 HG2 LYS 31 11.874 2.124 -10.314 270 2HG LYS 31 HG1 LYS 31 13.550 1.923 -10.830 271 1HD LYS 31 HD2 LYS 31 12.272 1.219 -12.665 272 2HD LYS 31 HD1 LYS 31 12.760 -0.280 -11.871 273 1HE LYS 31 HE2 LYS 31 10.604 -0.840 -11.868 274 2HE LYS 31 HE1 LYS 31 10.384 0.405 -10.635 275 1HZ LYS 31 HZ1 LYS 31 8.838 0.674 -12.466 276 2HZ LYS 31 HZ2 LYS 31 10.115 0.822 -13.567 277 3HZ LYS 31 HZ3 LYS 31 9.885 2.005 -12.368 278 H ASP 32 HN ASP 32 10.950 0.831 -6.268 279 HA ASP 32 HA ASP 32 12.679 -1.026 -4.924 280 1HB ASP 32 HB2 ASP 32 12.371 1.419 -4.282 281 2HB ASP 32 HB1 ASP 32 10.799 0.929 -3.663 282 H ALA 33 HN ALA 33 11.768 -2.207 -3.042 283 HA ALA 33 HA ALA 33 9.099 -3.246 -3.738 284 1HB ALA 33 HB1 ALA 33 11.314 -4.669 -2.242 285 2HB ALA 33 HB2 ALA 33 10.904 -4.921 -3.938 286 3HB ALA 33 HB3 ALA 33 9.743 -5.348 -2.678 287 H LEU 34 HN LEU 34 7.756 -3.793 -1.943 288 HA LEU 34 HA LEU 34 8.438 -2.417 0.568 289 1HB LEU 34 HB2 LEU 34 5.870 -2.278 -1.023 290 2HB LEU 34 HB1 LEU 34 5.973 -1.829 0.669 291 HG LEU 34 HG LEU 34 7.588 -0.518 -1.540 292 1HD1 LEU 34 HD11 LEU 34 5.189 -0.070 -1.801 293 2HD1 LEU 34 HD12 LEU 34 6.040 1.371 -1.242 294 3HD1 LEU 34 HD13 LEU 34 5.081 0.415 -0.107 295 1HD2 LEU 34 HD21 LEU 34 8.616 -0.454 0.684 296 2HD2 LEU 34 HD22 LEU 34 7.134 0.227 1.355 297 3HD2 LEU 34 HD23 LEU 34 8.071 1.144 0.175 298 H GLU 35 HN GLU 35 7.984 -3.645 2.298 299 HA GLU 35 HA GLU 35 7.098 -6.342 1.756 300 1HB GLU 35 HB2 GLU 35 9.215 -5.808 3.019 301 2HB GLU 35 HB1 GLU 35 8.191 -5.217 4.326 302 1HG GLU 35 HG2 GLU 35 7.227 -7.362 4.635 303 2HG GLU 35 HG1 GLU 35 8.008 -7.968 3.173 304 H ILE 36 HN ILE 36 4.982 -6.400 1.654 305 HA ILE 36 HA ILE 36 3.417 -4.660 3.374 306 HB ILE 36 HB ILE 36 2.607 -6.470 1.116 307 1HG1 ILE 36 HG12 ILE 36 2.046 -3.794 0.514 308 2HG1 ILE 36 HG11 ILE 36 3.648 -3.781 1.247 309 1HG2 ILE 36 HG21 ILE 36 0.730 -6.314 2.558 310 2HG2 ILE 36 HG22 ILE 36 0.443 -5.165 1.248 311 3HG2 ILE 36 HG23 ILE 36 0.996 -4.592 2.827 312 1HD1 ILE 36 HD11 ILE 36 3.843 -3.992 -1.136 313 2HD1 ILE 36 HD12 ILE 36 2.775 -5.396 -1.136 314 3HD1 ILE 36 HD13 ILE 36 4.363 -5.495 -0.369 315 H TYR 37 HN TYR 37 2.177 -5.213 4.943 316 HA TYR 37 HA TYR 37 1.588 -8.042 5.559 317 1HB TYR 37 HB2 TYR 37 2.307 -5.881 7.572 318 2HB TYR 37 HB1 TYR 37 1.787 -7.516 7.951 319 HD1 TYR 37 HD1 TYR 37 3.313 -9.302 8.025 320 HD2 TYR 37 HD2 TYR 37 4.559 -5.513 6.554 321 HE1 TYR 37 HE1 TYR 37 5.659 -10.023 8.177 322 HE2 TYR 37 HE2 TYR 37 6.908 -6.226 6.687 323 HH TYR 37 HH TYR 37 7.854 -9.414 7.095 324 H VAL 38 HN VAL 38 -0.164 -7.846 7.481 325 HA VAL 38 HA VAL 38 -1.905 -5.553 7.178 326 HB VAL 38 HB VAL 38 -2.741 -8.330 6.393 327 1HG1 VAL 38 HG11 VAL 38 -4.456 -6.199 7.623 328 2HG1 VAL 38 HG12 VAL 38 -4.401 -7.931 7.979 329 3HG1 VAL 38 HG13 VAL 38 -5.128 -7.364 6.475 330 1HG2 VAL 38 HG21 VAL 38 -3.857 -7.152 4.552 331 2HG2 VAL 38 HG22 VAL 38 -2.125 -6.825 4.601 332 3HG2 VAL 38 HG23 VAL 38 -3.267 -5.620 5.196 333 H ASP 39 HN ASP 39 -2.821 -5.013 8.975 334 HA ASP 39 HA ASP 39 -2.485 -6.747 11.316 335 1HB ASP 39 HB2 ASP 39 -1.312 -4.671 11.614 336 2HB ASP 39 HB1 ASP 39 -2.698 -3.737 11.059 337 H ASP 40 HN ASP 40 -4.284 -7.885 11.513 338 HA ASP 40 HA ASP 40 -6.417 -8.391 12.064 339 1HB ASP 40 HB2 ASP 40 -6.156 -6.224 13.466 340 2HB ASP 40 HB1 ASP 40 -7.121 -5.468 12.194 341 H GLU 41 HN GLU 41 -6.826 -5.330 10.334 342 HA GLU 41 HA GLU 41 -8.153 -6.721 8.141 343 1HB GLU 41 HB2 GLU 41 -10.040 -5.075 8.268 344 2HB GLU 41 HB1 GLU 41 -9.987 -6.226 9.598 345 1HG GLU 41 HG2 GLU 41 -9.034 -4.581 11.064 346 2HG GLU 41 HG1 GLU 41 -8.886 -3.431 9.733 347 H LYS 42 HN LYS 42 -5.745 -4.735 8.909 348 HA LYS 42 HA LYS 42 -6.236 -3.000 6.607 349 1HB LYS 42 HB2 LYS 42 -5.304 -1.098 7.743 350 2HB LYS 42 HB1 LYS 42 -6.571 -1.785 8.749 351 1HG LYS 42 HG2 LYS 42 -5.071 -2.617 10.303 352 2HG LYS 42 HG1 LYS 42 -3.715 -2.546 9.176 353 1HD LYS 42 HD2 LYS 42 -3.899 -0.061 9.221 354 2HD LYS 42 HD1 LYS 42 -5.121 -0.223 10.483 355 1HE LYS 42 HE2 LYS 42 -2.396 -1.453 10.748 356 2HE LYS 42 HE1 LYS 42 -2.703 0.227 11.202 357 1HZ LYS 42 HZ1 LYS 42 -4.511 -0.683 12.673 358 2HZ LYS 42 HZ2 LYS 42 -2.931 -1.068 13.141 359 3HZ LYS 42 HZ3 LYS 42 -3.891 -2.233 12.375 360 H ILE 43 HN ILE 43 -4.370 -2.016 5.655 361 HA ILE 43 HA ILE 43 -2.415 -4.146 5.267 362 HB ILE 43 HB ILE 43 -2.846 -1.664 3.612 363 1HG1 ILE 43 HG12 ILE 43 -4.073 -4.372 3.089 364 2HG1 ILE 43 HG11 ILE 43 -4.928 -3.099 3.955 365 1HG2 ILE 43 HG21 ILE 43 -1.752 -4.346 2.805 366 2HG2 ILE 43 HG22 ILE 43 -0.749 -2.992 3.326 367 3HG2 ILE 43 HG23 ILE 43 -1.745 -2.845 1.872 368 1HD1 ILE 43 HD11 ILE 43 -3.896 -2.940 1.133 369 2HD1 ILE 43 HD12 ILE 43 -4.732 -1.650 1.997 370 3HD1 ILE 43 HD13 ILE 43 -5.578 -3.153 1.626 371 H ILE 44 HN ILE 44 -0.234 -3.869 5.478 372 HA ILE 44 HA ILE 44 0.715 -1.272 6.512 373 HB ILE 44 HB ILE 44 2.275 -3.588 7.415 374 1HG1 ILE 44 HG12 ILE 44 -0.008 -4.557 7.580 375 2HG1 ILE 44 HG11 ILE 44 0.782 -4.375 9.139 376 1HG2 ILE 44 HG21 ILE 44 2.254 -2.346 9.535 377 2HG2 ILE 44 HG22 ILE 44 1.076 -1.224 8.859 378 3HG2 ILE 44 HG23 ILE 44 2.696 -1.317 8.173 379 1HD1 ILE 44 HD11 ILE 44 -1.697 -3.783 8.899 380 2HD1 ILE 44 HD12 ILE 44 -1.115 -2.296 8.140 381 3HD1 ILE 44 HD13 ILE 44 -0.647 -2.683 9.798 382 H LEU 45 HN LEU 45 1.877 -0.515 4.797 383 HA LEU 45 HA LEU 45 3.582 -2.388 3.340 384 1HB LEU 45 HB2 LEU 45 2.588 0.387 2.809 385 2HB LEU 45 HB1 LEU 45 4.088 -0.129 2.047 386 HG LEU 45 HG LEU 45 2.858 -2.056 1.046 387 1HD1 LEU 45 HD11 LEU 45 0.429 -0.612 2.110 388 2HD1 LEU 45 HD12 LEU 45 1.013 -2.192 2.638 389 3HD1 LEU 45 HD13 LEU 45 0.413 -1.976 0.992 390 1HD2 LEU 45 HD21 LEU 45 3.288 -0.021 -0.226 391 2HD2 LEU 45 HD22 LEU 45 1.802 0.698 0.395 392 3HD2 LEU 45 HD23 LEU 45 1.725 -0.712 -0.661 393 H LYS 46 HN LYS 46 5.399 -2.792 4.371 394 HA LYS 46 HA LYS 46 6.949 -0.597 5.556 395 1HB LYS 46 HB2 LYS 46 6.698 -2.788 6.768 396 2HB LYS 46 HB1 LYS 46 7.532 -3.573 5.436 397 1HG LYS 46 HG2 LYS 46 9.373 -1.751 6.017 398 2HG LYS 46 HG1 LYS 46 8.592 -1.856 7.598 399 1HD LYS 46 HD2 LYS 46 9.649 -4.205 6.039 400 2HD LYS 46 HD1 LYS 46 10.495 -3.409 7.367 401 1HE LYS 46 HE2 LYS 46 8.729 -3.998 8.895 402 2HE LYS 46 HE1 LYS 46 7.777 -4.683 7.582 403 1HZ LYS 46 HZ1 LYS 46 8.924 -6.397 8.856 404 2HZ LYS 46 HZ2 LYS 46 10.421 -5.692 8.489 405 3HZ LYS 46 HZ3 LYS 46 9.472 -6.365 7.248 406 H LYS 47 HN LYS 47 9.121 -0.239 4.801 407 HA LYS 47 HA LYS 47 9.495 -0.688 1.987 408 1HB LYS 47 HB2 LYS 47 11.765 0.273 2.362 409 2HB LYS 47 HB1 LYS 47 10.491 1.295 3.014 410 1HG LYS 47 HG2 LYS 47 10.967 0.573 5.242 411 2HG LYS 47 HG1 LYS 47 12.143 -0.610 4.659 412 1HD LYS 47 HD2 LYS 47 13.465 1.175 5.339 413 2HD LYS 47 HD1 LYS 47 13.301 1.446 3.601 414 1HE LYS 47 HE2 LYS 47 12.835 3.546 4.428 415 2HE LYS 47 HE1 LYS 47 11.223 2.838 4.310 416 1HZ LYS 47 HZ1 LYS 47 11.183 2.430 6.625 417 2HZ LYS 47 HZ2 LYS 47 11.714 4.026 6.441 418 3HZ LYS 47 HZ3 LYS 47 12.825 2.798 6.808 419 H TYR 48 HN TYR 48 10.687 -2.257 0.994 420 HA TYR 48 HA TYR 48 11.157 -4.674 2.338 421 1HB TYR 48 HB2 TYR 48 10.834 -4.614 -0.055 422 2HB TYR 48 HB1 TYR 48 12.268 -3.626 -0.264 423 HD1 TYR 48 HD1 TYR 48 14.230 -4.657 -0.892 424 HD2 TYR 48 HD2 TYR 48 11.246 -6.953 1.083 425 HE1 TYR 48 HE1 TYR 48 15.566 -6.686 -1.245 426 HE2 TYR 48 HE2 TYR 48 12.577 -8.992 0.737 427 HH TYR 48 HH TYR 48 15.817 -8.923 -0.236 428 H LYS 49 HN LYS 49 13.010 -5.607 3.078 429 HA LYS 49 HA LYS 49 14.824 -3.837 4.363 430 1HB LYS 49 HB2 LYS 49 14.148 -6.064 5.262 431 2HB LYS 49 HB1 LYS 49 15.039 -6.825 3.952 432 1HG LYS 49 HG2 LYS 49 16.272 -6.838 6.070 433 2HG LYS 49 HG1 LYS 49 17.123 -5.960 4.798 434 1HD LYS 49 HD2 LYS 49 17.281 -4.746 6.882 435 2HD LYS 49 HD1 LYS 49 16.273 -3.844 5.751 436 1HE LYS 49 HE2 LYS 49 14.273 -4.637 6.850 437 2HE LYS 49 HE1 LYS 49 15.236 -5.651 7.923 438 1HZ LYS 49 HZ1 LYS 49 15.439 -2.689 7.807 439 2HZ LYS 49 HZ2 LYS 49 16.191 -3.717 8.926 440 3HZ LYS 49 HZ3 LYS 49 14.503 -3.530 8.943 441 HA PRO 50 HA PRO 50 17.129 -3.394 0.603 442 1HB PRO 50 HB2 PRO 50 18.669 -1.334 1.340 443 2HB PRO 50 HB1 PRO 50 16.923 -1.144 1.141 444 1HG PRO 50 HG2 PRO 50 18.485 -1.588 3.664 445 2HG PRO 50 HG1 PRO 50 17.235 -0.373 3.328 446 1HD PRO 50 HD2 PRO 50 16.703 -2.697 4.612 447 2HD PRO 50 HD1 PRO 50 15.517 -1.889 3.569 448 H ASN 51 HN ASN 51 17.895 -5.418 2.566 449 HA ASN 51 HA ASN 51 20.797 -5.405 2.552 450 1HB ASN 51 HB2 ASN 51 19.793 -6.327 4.512 451 2HB ASN 51 HB1 ASN 51 18.728 -7.355 3.564 452 1HD2 ASN 51 HD21 ASN 51 19.363 -9.259 4.449 453 2HD2 ASN 51 HD22 ASN 51 20.937 -9.946 4.225 454 H MET 52 HN MET 52 21.281 -5.438 0.377 455 HA MET 52 HA MET 52 20.178 -7.583 -1.255 456 1HB MET 52 HB2 MET 52 22.051 -5.326 -1.985 457 2HB MET 52 HB1 MET 52 21.352 -6.478 -3.117 458 1HG MET 52 HG2 MET 52 19.110 -5.671 -2.529 459 2HG MET 52 HG1 MET 52 19.837 -4.490 -1.440 460 1HE MET 52 HE1 MET 52 21.444 -2.511 -2.292 461 2HE MET 52 HE2 MET 52 21.854 -2.258 -3.988 462 3HE MET 52 HE3 MET 52 22.442 -3.689 -3.145 463 H THR 53 HN THR 53 21.134 -9.467 -1.250 464 HA THR 53 HA THR 53 23.902 -9.681 -0.342 465 HB THR 53 HB THR 53 21.950 -11.934 -0.799 466 HG1 THR 53 HG1 THR 53 21.464 -10.070 0.831 467 1HG2 THR 53 HG21 THR 53 23.367 -13.102 0.831 468 2HG2 THR 53 HG22 THR 53 24.407 -11.681 0.940 469 3HG2 THR 53 HG23 THR 53 24.299 -12.583 -0.571 470 1H MET 1 HT1 MET 1 -7.059 -14.521 4.103 471 2H MET 1 HT2 MET 1 -5.870 -13.314 4.137 472 3H MET 1 HT3 MET 1 -7.424 -12.991 4.736 473 HA MET 1 HA MET 1 -7.093 -14.674 6.466 474 1HB MET 1 HB2 MET 1 -4.214 -14.584 5.542 475 2HB MET 1 HB1 MET 1 -4.858 -15.519 6.883 476 1HG MET 1 HG2 MET 1 -5.507 -15.932 3.974 477 2HG MET 1 HG1 MET 1 -4.407 -16.911 4.942 478 1HE MET 1 HE1 MET 1 -6.826 -18.105 3.233 479 2HE MET 1 HE2 MET 1 -7.465 -19.294 4.367 480 3HE MET 1 HE3 MET 1 -5.722 -19.096 4.190 481 H LYS 2 HN LYS 2 -4.079 -12.903 5.966 482 HA LYS 2 HA LYS 2 -4.840 -10.522 7.286 483 1HB LYS 2 HB2 LYS 2 -3.570 -10.784 9.370 484 2HB LYS 2 HB1 LYS 2 -4.844 -11.990 9.281 485 1HG LYS 2 HG2 LYS 2 -3.340 -13.733 8.905 486 2HG LYS 2 HG1 LYS 2 -2.056 -12.632 8.401 487 1HD LYS 2 HD2 LYS 2 -3.146 -12.918 11.199 488 2HD LYS 2 HD1 LYS 2 -1.599 -13.537 10.615 489 1HE LYS 2 HE2 LYS 2 -1.114 -11.080 9.958 490 2HE LYS 2 HE1 LYS 2 -2.456 -10.695 11.040 491 1HZ LYS 2 HZ1 LYS 2 0.027 -12.143 11.789 492 2HZ LYS 2 HZ2 LYS 2 -1.283 -11.859 12.828 493 3HZ LYS 2 HZ3 LYS 2 -0.386 -10.555 12.224 494 H SER 3 HN SER 3 -2.089 -10.304 8.491 495 HA SER 3 HA SER 3 -0.587 -9.248 6.438 496 1HB SER 3 HB2 SER 3 1.264 -9.320 7.966 497 2HB SER 3 HB1 SER 3 -0.186 -9.124 8.957 498 HG SER 3 HG SER 3 1.306 -10.735 9.742 499 H THR 4 HN THR 4 0.580 -10.004 4.870 500 HA THR 4 HA THR 4 0.903 -12.888 4.664 501 HB THR 4 HB THR 4 1.680 -12.223 2.298 502 HG1 THR 4 HG1 THR 4 1.914 -9.971 2.821 503 1HG2 THR 4 HG21 THR 4 -1.172 -11.666 3.116 504 2HG2 THR 4 HG22 THR 4 -0.495 -13.267 2.813 505 3HG2 THR 4 HG23 THR 4 -0.619 -12.096 1.497 506 H GLY 5 HN GLY 5 2.661 -9.905 4.970 507 1HA GLY 5 HA2 GLY 5 4.891 -9.465 5.320 508 2HA GLY 5 HA1 GLY 5 5.145 -11.200 5.548 509 H ILE 6 HN ILE 6 3.832 -9.380 2.865 510 HA ILE 6 HA ILE 6 5.563 -10.913 1.049 511 HB ILE 6 HB ILE 6 2.665 -10.606 1.223 512 1HG1 ILE 6 HG12 ILE 6 2.725 -12.568 -0.295 513 2HG1 ILE 6 HG11 ILE 6 4.458 -12.349 -0.495 514 1HG2 ILE 6 HG21 ILE 6 2.210 -10.382 -1.185 515 2HG2 ILE 6 HG22 ILE 6 3.918 -10.047 -1.477 516 3HG2 ILE 6 HG23 ILE 6 2.950 -8.924 -0.519 517 1HD1 ILE 6 HD11 ILE 6 4.785 -12.792 1.880 518 2HD1 ILE 6 HD12 ILE 6 3.968 -14.128 1.071 519 3HD1 ILE 6 HD13 ILE 6 3.047 -13.009 2.075 520 H VAL 7 HN VAL 7 6.844 -9.715 -0.261 521 HA VAL 7 HA VAL 7 6.425 -6.823 -0.178 522 HB VAL 7 HB VAL 7 8.639 -6.483 -0.708 523 1HG1 VAL 7 HG11 VAL 7 9.977 -7.998 0.727 524 2HG1 VAL 7 HG12 VAL 7 8.562 -9.040 0.868 525 3HG1 VAL 7 HG13 VAL 7 8.509 -7.391 1.495 526 1HG2 VAL 7 HG21 VAL 7 10.160 -8.294 -1.576 527 2HG2 VAL 7 HG22 VAL 7 8.930 -7.718 -2.697 528 3HG2 VAL 7 HG23 VAL 7 8.710 -9.258 -1.861 529 H ARG 8 HN ARG 8 6.268 -5.552 -1.990 530 HA ARG 8 HA ARG 8 6.085 -6.876 -4.608 531 1HB ARG 8 HB2 ARG 8 4.016 -5.039 -3.394 532 2HB ARG 8 HB1 ARG 8 4.114 -5.381 -5.117 533 1HG ARG 8 HG2 ARG 8 3.633 -7.399 -2.939 534 2HG ARG 8 HG1 ARG 8 2.441 -6.778 -4.090 535 1HD ARG 8 HD2 ARG 8 3.862 -7.635 -5.925 536 2HD ARG 8 HD1 ARG 8 4.918 -8.367 -4.726 537 HE ARG 8 HE ARG 8 2.146 -9.183 -5.303 538 1HH1 ARG 8 HH11 ARG 8 5.230 -9.734 -3.747 539 2HH1 ARG 8 HH12 ARG 8 4.928 -11.422 -3.442 540 1HH2 ARG 8 HH21 ARG 8 1.740 -11.422 -4.916 541 2HH2 ARG 8 HH22 ARG 8 2.967 -12.385 -4.147 542 H LYS 9 HN LYS 9 6.477 -5.511 -6.388 543 HA LYS 9 HA LYS 9 8.213 -3.274 -5.866 544 1HB LYS 9 HB2 LYS 9 6.997 -4.305 -8.445 545 2HB LYS 9 HB1 LYS 9 8.236 -3.065 -8.344 546 1HG LYS 9 HG2 LYS 9 8.727 -5.734 -7.124 547 2HG LYS 9 HG1 LYS 9 8.869 -5.532 -8.873 548 1HD LYS 9 HD2 LYS 9 10.970 -4.870 -8.467 549 2HD LYS 9 HD1 LYS 9 10.250 -3.362 -7.901 550 1HE LYS 9 HE2 LYS 9 11.783 -4.128 -6.237 551 2HE LYS 9 HE1 LYS 9 10.149 -4.348 -5.617 552 1HZ LYS 9 HZ1 LYS 9 11.708 -6.514 -6.914 553 2HZ LYS 9 HZ2 LYS 9 10.262 -6.668 -6.037 554 3HZ LYS 9 HZ3 LYS 9 11.703 -6.249 -5.240 555 H VAL 10 HN VAL 10 7.852 -1.140 -6.579 556 HA VAL 10 HA VAL 10 5.074 -0.304 -6.221 557 HB VAL 10 HB VAL 10 7.586 1.387 -6.340 558 1HG1 VAL 10 HG11 VAL 10 5.634 2.728 -6.718 559 2HG1 VAL 10 HG12 VAL 10 6.221 3.030 -5.083 560 3HG1 VAL 10 HG13 VAL 10 4.811 2.002 -5.339 561 1HG2 VAL 10 HG21 VAL 10 7.534 1.379 -3.908 562 2HG2 VAL 10 HG22 VAL 10 7.713 -0.257 -4.541 563 3HG2 VAL 10 HG23 VAL 10 6.150 0.286 -3.930 564 H ASP 11 HN ASP 11 6.431 -1.437 -8.744 565 HA ASP 11 HA ASP 11 5.962 -1.371 -10.956 566 1HB ASP 11 HB2 ASP 11 3.662 -0.677 -10.008 567 2HB ASP 11 HB1 ASP 11 4.130 0.968 -10.413 568 H GLU 12 HN GLU 12 5.173 1.343 -12.158 569 HA GLU 12 HA GLU 12 7.835 2.605 -12.009 570 1HB GLU 12 HB2 GLU 12 6.781 3.406 -14.426 571 2HB GLU 12 HB1 GLU 12 7.982 2.137 -14.201 572 1HG GLU 12 HG2 GLU 12 6.136 0.499 -14.052 573 2HG GLU 12 HG1 GLU 12 5.003 1.806 -14.405 574 H LEU 13 HN LEU 13 4.402 3.138 -12.679 575 HA LEU 13 HA LEU 13 4.641 5.970 -12.583 576 1HB LEU 13 HB2 LEU 13 2.317 4.086 -12.676 577 2HB LEU 13 HB1 LEU 13 2.063 5.802 -12.417 578 HG LEU 13 HG LEU 13 1.755 5.329 -14.748 579 1HD1 LEU 13 HD11 LEU 13 3.394 6.822 -15.743 580 2HD1 LEU 13 HD12 LEU 13 4.431 6.649 -14.326 581 3HD1 LEU 13 HD13 LEU 13 2.859 7.436 -14.178 582 1HD2 LEU 13 HD21 LEU 13 3.490 4.355 -16.149 583 2HD2 LEU 13 HD22 LEU 13 3.035 3.240 -14.862 584 3HD2 LEU 13 HD23 LEU 13 4.540 4.155 -14.743 585 H GLY 14 HN GLY 14 4.305 3.554 -10.190 586 1HA GLY 14 HA2 GLY 14 5.084 4.398 -7.987 587 2HA GLY 14 HA1 GLY 14 3.911 5.699 -8.181 588 H ARG 15 HN ARG 15 2.817 2.762 -9.394 589 HA ARG 15 HA ARG 15 1.077 2.508 -7.088 590 1HB ARG 15 HB2 ARG 15 -0.299 1.068 -8.607 591 2HB ARG 15 HB1 ARG 15 -0.128 2.737 -9.119 592 1HG ARG 15 HG2 ARG 15 1.921 1.032 -10.253 593 2HG ARG 15 HG1 ARG 15 0.288 0.483 -10.652 594 1HD ARG 15 HD2 ARG 15 -0.244 2.758 -11.440 595 2HD ARG 15 HD1 ARG 15 1.420 3.242 -11.111 596 HE ARG 15 HE ARG 15 1.969 1.330 -12.762 597 1HH1 ARG 15 HH11 ARG 15 -0.735 3.549 -12.962 598 2HH1 ARG 15 HH12 ARG 15 -0.952 3.346 -14.675 599 1HH2 ARG 15 HH21 ARG 15 1.713 1.078 -15.036 600 2HH2 ARG 15 HH22 ARG 15 0.446 1.951 -15.858 601 H VAL 16 HN VAL 16 1.411 0.980 -5.629 602 HA VAL 16 HA VAL 16 3.282 -1.167 -6.198 603 HB VAL 16 HB VAL 16 3.147 0.021 -3.944 604 1HG1 VAL 16 HG11 VAL 16 0.769 0.078 -3.638 605 2HG1 VAL 16 HG12 VAL 16 1.531 -0.812 -2.320 606 3HG1 VAL 16 HG13 VAL 16 0.704 -1.684 -3.613 607 1HG2 VAL 16 HG21 VAL 16 4.400 -2.024 -4.257 608 2HG2 VAL 16 HG22 VAL 16 2.942 -2.977 -3.987 609 3HG2 VAL 16 HG23 VAL 16 3.622 -2.016 -2.674 610 H VAL 17 HN VAL 17 2.669 -3.148 -6.891 611 HA VAL 17 HA VAL 17 -0.131 -3.548 -7.407 612 HB VAL 17 HB VAL 17 2.006 -5.646 -7.723 613 1HG1 VAL 17 HG11 VAL 17 -0.609 -5.191 -9.144 614 2HG1 VAL 17 HG12 VAL 17 -0.267 -6.449 -7.954 615 3HG1 VAL 17 HG13 VAL 17 0.550 -6.468 -9.518 616 1HG2 VAL 17 HG21 VAL 17 2.337 -4.863 -10.017 617 2HG2 VAL 17 HG22 VAL 17 2.797 -3.635 -8.840 618 3HG2 VAL 17 HG23 VAL 17 1.264 -3.501 -9.700 619 H ILE 18 HN ILE 18 -0.980 -3.507 -5.332 620 HA ILE 18 HA ILE 18 -0.124 -5.266 -3.307 621 HB ILE 18 HB ILE 18 -1.231 -3.481 -2.431 622 1HG1 ILE 18 HG12 ILE 18 -3.455 -5.510 -2.497 623 2HG1 ILE 18 HG11 ILE 18 -2.010 -5.676 -1.502 624 1HG2 ILE 18 HG21 ILE 18 -3.465 -3.866 -4.401 625 2HG2 ILE 18 HG22 ILE 18 -2.243 -2.592 -4.430 626 3HG2 ILE 18 HG23 ILE 18 -3.432 -2.647 -3.126 627 1HD1 ILE 18 HD11 ILE 18 -3.941 -4.817 -0.262 628 2HD1 ILE 18 HD12 ILE 18 -3.980 -3.410 -1.325 629 3HD1 ILE 18 HD13 ILE 18 -2.588 -3.684 -0.272 630 HA PRO 19 HA PRO 19 -1.507 -8.946 -5.217 631 1HB PRO 19 HB2 PRO 19 -1.739 -9.884 -2.399 632 2HB PRO 19 HB1 PRO 19 -0.926 -10.640 -3.777 633 1HG PRO 19 HG2 PRO 19 0.498 -9.382 -1.918 634 2HG PRO 19 HG1 PRO 19 0.919 -9.225 -3.634 635 1HD PRO 19 HD2 PRO 19 -0.465 -7.285 -1.835 636 2HD PRO 19 HD1 PRO 19 0.704 -6.983 -3.140 637 H ILE 20 HN ILE 20 -3.396 -9.899 -5.746 638 HA ILE 20 HA ILE 20 -5.839 -8.739 -5.052 639 HB ILE 20 HB ILE 20 -6.917 -10.589 -6.176 640 1HG1 ILE 20 HG12 ILE 20 -5.069 -12.331 -7.131 641 2HG1 ILE 20 HG11 ILE 20 -4.375 -11.982 -5.548 642 1HG2 ILE 20 HG21 ILE 20 -4.349 -9.853 -7.562 643 2HG2 ILE 20 HG22 ILE 20 -5.802 -8.859 -7.492 644 3HG2 ILE 20 HG23 ILE 20 -5.835 -10.410 -8.333 645 1HD1 ILE 20 HD11 ILE 20 -5.845 -13.978 -5.608 646 2HD1 ILE 20 HD12 ILE 20 -7.204 -12.911 -5.966 647 3HD1 ILE 20 HD13 ILE 20 -6.333 -12.752 -4.435 648 H GLU 21 HN GLU 21 -3.955 -11.166 -3.587 649 HA GLU 21 HA GLU 21 -5.920 -12.567 -2.139 650 1HB GLU 21 HB2 GLU 21 -3.165 -12.334 -1.058 651 2HB GLU 21 HB1 GLU 21 -4.155 -13.764 -1.330 652 1HG GLU 21 HG2 GLU 21 -3.680 -13.725 -3.681 653 2HG GLU 21 HG1 GLU 21 -2.844 -12.179 -3.528 654 H LEU 22 HN LEU 22 -3.765 -9.876 -1.346 655 HA LEU 22 HA LEU 22 -4.662 -9.692 1.335 656 1HB LEU 22 HB2 LEU 22 -3.077 -7.885 -0.445 657 2HB LEU 22 HB1 LEU 22 -3.581 -7.362 1.156 658 HG LEU 22 HG LEU 22 -2.498 -9.639 1.884 659 1HD1 LEU 22 HD11 LEU 22 -0.520 -10.176 0.552 660 2HD1 LEU 22 HD12 LEU 22 -1.035 -9.010 -0.667 661 3HD1 LEU 22 HD13 LEU 22 -2.017 -10.438 -0.342 662 1HD2 LEU 22 HD21 LEU 22 -0.389 -8.445 2.280 663 2HD2 LEU 22 HD22 LEU 22 -1.796 -7.448 2.658 664 3HD2 LEU 22 HD23 LEU 22 -0.903 -7.185 1.157 665 H ARG 23 HN ARG 23 -5.503 -7.978 -1.668 666 HA ARG 23 HA ARG 23 -7.314 -6.206 -0.380 667 1HB ARG 23 HB2 ARG 23 -8.045 -5.591 -2.585 668 2HB ARG 23 HB1 ARG 23 -6.316 -5.871 -2.689 669 1HG ARG 23 HG2 ARG 23 -7.093 -6.891 -4.593 670 2HG ARG 23 HG1 ARG 23 -7.022 -8.248 -3.458 671 1HD ARG 23 HD2 ARG 23 -9.405 -7.976 -2.987 672 2HD ARG 23 HD1 ARG 23 -9.478 -6.608 -4.087 673 HE ARG 23 HE ARG 23 -8.540 -8.975 -5.378 674 1HH1 ARG 23 HH11 ARG 23 -11.396 -7.310 -4.246 675 2HH1 ARG 23 HH12 ARG 23 -12.472 -8.106 -5.358 676 1HH2 ARG 23 HH21 ARG 23 -9.942 -10.073 -6.830 677 2HH2 ARG 23 HH22 ARG 23 -11.640 -9.691 -6.826 678 H ARG 24 HN ARG 24 -7.407 -9.449 -1.383 679 HA ARG 24 HA ARG 24 -10.222 -9.872 -1.310 680 1HB ARG 24 HB2 ARG 24 -8.770 -11.333 -2.559 681 2HB ARG 24 HB1 ARG 24 -7.803 -11.668 -1.128 682 1HG ARG 24 HG2 ARG 24 -10.530 -12.356 -0.639 683 2HG ARG 24 HG1 ARG 24 -9.970 -13.118 -2.134 684 1HD ARG 24 HD2 ARG 24 -7.927 -13.856 -0.875 685 2HD ARG 24 HD1 ARG 24 -8.724 -13.295 0.599 686 HE ARG 24 HE ARG 24 -10.569 -14.931 -0.344 687 1HH1 ARG 24 HH11 ARG 24 -7.102 -15.366 -0.052 688 2HH1 ARG 24 HH12 ARG 24 -7.198 -17.095 0.028 689 1HH2 ARG 24 HH21 ARG 24 -10.700 -17.206 -0.211 690 2HH2 ARG 24 HH22 ARG 24 -9.241 -18.143 -0.047 691 H THR 25 HN THR 25 -7.588 -9.801 0.921 692 HA THR 25 HA THR 25 -8.878 -11.082 3.089 693 HB THR 25 HB THR 25 -6.552 -9.162 3.091 694 HG1 THR 25 HG1 THR 25 -6.407 -11.282 1.939 695 1HG2 THR 25 HG21 THR 25 -7.514 -11.056 5.238 696 2HG2 THR 25 HG22 THR 25 -7.573 -9.294 5.301 697 3HG2 THR 25 HG23 THR 25 -6.017 -10.126 5.290 698 H LEU 26 HN LEU 26 -8.501 -7.705 2.114 699 HA LEU 26 HA LEU 26 -9.975 -6.804 4.445 700 1HB LEU 26 HB2 LEU 26 -9.171 -5.130 2.085 701 2HB LEU 26 HB1 LEU 26 -9.618 -4.581 3.683 702 HG LEU 26 HG LEU 26 -7.413 -4.341 3.941 703 1HD1 LEU 26 HD11 LEU 26 -7.372 -7.326 4.207 704 2HD1 LEU 26 HD12 LEU 26 -7.930 -6.206 5.452 705 3HD1 LEU 26 HD13 LEU 26 -6.246 -6.176 4.930 706 1HD2 LEU 26 HD21 LEU 26 -5.705 -5.457 2.604 707 2HD2 LEU 26 HD22 LEU 26 -6.933 -4.663 1.620 708 3HD2 LEU 26 HD23 LEU 26 -6.968 -6.413 1.830 709 H GLY 27 HN GLY 27 -10.716 -7.832 1.298 710 1HA GLY 27 HA2 GLY 27 -12.794 -8.090 0.314 711 2HA GLY 27 HA1 GLY 27 -13.507 -7.234 1.675 712 H ILE 28 HN ILE 28 -10.863 -5.922 -0.136 713 HA ILE 28 HA ILE 28 -12.591 -3.764 -1.123 714 HB ILE 28 HB ILE 28 -10.576 -2.470 -1.410 715 1HG1 ILE 28 HG12 ILE 28 -9.040 -4.930 -0.570 716 2HG1 ILE 28 HG11 ILE 28 -9.198 -4.345 -2.228 717 1HG2 ILE 28 HG21 ILE 28 -10.493 -3.929 1.229 718 2HG2 ILE 28 HG22 ILE 28 -11.495 -2.529 0.846 719 3HG2 ILE 28 HG23 ILE 28 -9.740 -2.371 0.888 720 1HD1 ILE 28 HD11 ILE 28 -8.148 -2.227 -1.506 721 2HD1 ILE 28 HD12 ILE 28 -7.097 -3.641 -1.387 722 3HD1 ILE 28 HD13 ILE 28 -7.842 -2.968 0.064 723 H ALA 29 HN ALA 29 -10.861 -2.928 -3.190 724 HA ALA 29 HA ALA 29 -10.506 -5.041 -5.076 725 1HB ALA 29 HB1 ALA 29 -12.824 -3.163 -5.528 726 2HB ALA 29 HB2 ALA 29 -12.955 -4.876 -5.131 727 3HB ALA 29 HB3 ALA 29 -12.234 -4.378 -6.662 728 H GLU 30 HN GLU 30 -10.197 -4.040 -7.327 729 HA GLU 30 HA GLU 30 -8.090 -2.170 -7.170 730 1HB GLU 30 HB2 GLU 30 -8.079 -2.336 -9.603 731 2HB GLU 30 HB1 GLU 30 -8.421 -3.934 -8.945 732 1HG GLU 30 HG2 GLU 30 -10.869 -3.396 -9.214 733 2HG GLU 30 HG1 GLU 30 -10.368 -1.990 -10.152 734 H LYS 31 HN LYS 31 -11.472 -1.902 -7.989 735 HA LYS 31 HA LYS 31 -11.279 0.869 -8.721 736 1HB LYS 31 HB2 LYS 31 -13.737 -0.810 -8.237 737 2HB LYS 31 HB1 LYS 31 -13.660 0.740 -9.057 738 1HG LYS 31 HG2 LYS 31 -12.124 -1.598 -10.095 739 2HG LYS 31 HG1 LYS 31 -13.842 -1.414 -10.464 740 1HD LYS 31 HD2 LYS 31 -12.845 -0.368 -12.266 741 2HD LYS 31 HD1 LYS 31 -13.135 0.994 -11.181 742 1HE LYS 31 HE2 LYS 31 -10.965 1.431 -11.623 743 2HE LYS 31 HE1 LYS 31 -10.707 0.248 -10.340 744 1HZ LYS 31 HZ1 LYS 31 -10.492 -1.473 -12.047 745 2HZ LYS 31 HZ2 LYS 31 -9.329 -0.257 -12.226 746 3HZ LYS 31 HZ3 LYS 31 -10.668 -0.301 -13.260 747 H ASP 32 HN ASP 32 -11.046 -0.686 -5.886 748 HA ASP 32 HA ASP 32 -12.703 1.123 -4.373 749 1HB ASP 32 HB2 ASP 32 -12.759 -1.238 -3.784 750 2HB ASP 32 HB1 ASP 32 -11.021 -1.218 -3.543 751 H ALA 33 HN ALA 33 -11.883 2.529 -2.801 752 HA ALA 33 HA ALA 33 -9.120 3.355 -3.324 753 1HB ALA 33 HB1 ALA 33 -11.264 4.744 -1.703 754 2HB ALA 33 HB2 ALA 33 -10.854 5.099 -3.380 755 3HB ALA 33 HB3 ALA 33 -9.674 5.400 -2.102 756 H LEU 34 HN LEU 34 -7.678 3.691 -1.630 757 HA LEU 34 HA LEU 34 -8.294 2.262 0.864 758 1HB LEU 34 HB2 LEU 34 -5.746 2.293 -0.764 759 2HB LEU 34 HB1 LEU 34 -5.828 1.728 0.894 760 HG LEU 34 HG LEU 34 -7.374 0.533 -1.414 761 1HD1 LEU 34 HD11 LEU 34 -5.820 -1.363 -1.138 762 2HD1 LEU 34 HD12 LEU 34 -4.905 -0.429 0.051 763 3HD1 LEU 34 HD13 LEU 34 -4.984 0.111 -1.629 764 1HD2 LEU 34 HD21 LEU 34 -8.524 0.299 0.710 765 2HD2 LEU 34 HD22 LEU 34 -7.054 -0.318 1.466 766 3HD2 LEU 34 HD23 LEU 34 -7.857 -1.254 0.205 767 H GLU 35 HN GLU 35 -7.763 3.372 2.638 768 HA GLU 35 HA GLU 35 -7.060 6.155 2.245 769 1HB GLU 35 HB2 GLU 35 -9.082 5.302 3.527 770 2HB GLU 35 HB1 GLU 35 -7.953 4.784 4.778 771 1HG GLU 35 HG2 GLU 35 -7.202 7.083 5.023 772 2HG GLU 35 HG1 GLU 35 -8.330 7.569 3.756 773 H ILE 36 HN ILE 36 -4.905 6.272 2.031 774 HA ILE 36 HA ILE 36 -3.229 4.483 3.594 775 HB ILE 36 HB ILE 36 -2.552 6.394 1.375 776 1HG1 ILE 36 HG12 ILE 36 -1.964 3.768 0.637 777 2HG1 ILE 36 HG11 ILE 36 -3.520 3.673 1.460 778 1HG2 ILE 36 HG21 ILE 36 -0.586 6.256 2.642 779 2HG2 ILE 36 HG22 ILE 36 -0.370 5.048 1.373 780 3HG2 ILE 36 HG23 ILE 36 -0.836 4.549 3.004 781 1HD1 ILE 36 HD11 ILE 36 -3.832 3.977 -0.912 782 2HD1 ILE 36 HD12 ILE 36 -2.850 5.442 -0.875 783 3HD1 ILE 36 HD13 ILE 36 -4.399 5.398 -0.032 784 H TYR 37 HN TYR 37 -1.956 4.985 5.136 785 HA TYR 37 HA TYR 37 -1.343 7.778 5.845 786 1HB TYR 37 HB2 TYR 37 -2.149 5.551 7.746 787 2HB TYR 37 HB1 TYR 37 -1.504 7.112 8.240 788 HD1 TYR 37 HD1 TYR 37 -2.952 8.800 8.814 789 HD2 TYR 37 HD2 TYR 37 -4.360 5.667 6.308 790 HE1 TYR 37 HE1 TYR 37 -5.224 9.727 8.945 791 HE2 TYR 37 HE2 TYR 37 -6.631 6.593 6.420 792 HH TYR 37 HH TYR 37 -7.983 8.036 7.542 793 H VAL 38 HN VAL 38 0.449 7.504 7.722 794 HA VAL 38 HA VAL 38 2.171 5.217 7.295 795 HB VAL 38 HB VAL 38 2.988 8.020 6.571 796 1HG1 VAL 38 HG11 VAL 38 5.372 7.046 6.537 797 2HG1 VAL 38 HG12 VAL 38 4.731 5.836 7.660 798 3HG1 VAL 38 HG13 VAL 38 4.698 7.549 8.086 799 1HG2 VAL 38 HG21 VAL 38 2.298 6.553 4.757 800 2HG2 VAL 38 HG22 VAL 38 3.486 5.354 5.265 801 3HG2 VAL 38 HG23 VAL 38 4.020 6.916 4.646 802 H ASP 39 HN ASP 39 3.161 4.634 9.073 803 HA ASP 39 HA ASP 39 2.948 6.402 11.408 804 1HB ASP 39 HB2 ASP 39 1.661 4.389 11.742 805 2HB ASP 39 HB1 ASP 39 3.027 3.390 11.250 806 H ASP 40 HN ASP 40 4.719 7.408 11.691 807 HA ASP 40 HA ASP 40 6.863 7.934 12.073 808 1HB ASP 40 HB2 ASP 40 6.640 5.814 13.536 809 2HB ASP 40 HB1 ASP 40 7.595 5.027 12.270 810 H GLU 41 HN GLU 41 7.154 4.856 10.347 811 HA GLU 41 HA GLU 41 8.559 6.206 8.174 812 1HB GLU 41 HB2 GLU 41 10.418 4.577 8.332 813 2HB GLU 41 HB1 GLU 41 10.318 5.634 9.736 814 1HG GLU 41 HG2 GLU 41 9.318 3.916 11.057 815 2HG GLU 41 HG1 GLU 41 9.147 2.868 9.645 816 H LYS 42 HN LYS 42 6.046 4.332 8.846 817 HA LYS 42 HA LYS 42 6.501 2.751 6.444 818 1HB LYS 42 HB2 LYS 42 6.284 0.703 7.372 819 2HB LYS 42 HB1 LYS 42 6.788 1.532 8.834 820 1HG LYS 42 HG2 LYS 42 3.905 1.606 8.385 821 2HG LYS 42 HG1 LYS 42 4.563 -0.019 8.580 822 1HD LYS 42 HD2 LYS 42 5.640 0.701 10.676 823 2HD LYS 42 HD1 LYS 42 4.907 2.295 10.485 824 1HE LYS 42 HE2 LYS 42 2.697 1.350 10.641 825 2HE LYS 42 HE1 LYS 42 3.355 -0.289 10.658 826 1HZ LYS 42 HZ1 LYS 42 3.718 1.793 12.762 827 2HZ LYS 42 HZ2 LYS 42 4.472 0.275 12.766 828 3HZ LYS 42 HZ3 LYS 42 2.785 0.378 12.881 829 H ILE 43 HN ILE 43 4.591 1.752 5.558 830 HA ILE 43 HA ILE 43 2.642 3.904 5.358 831 HB ILE 43 HB ILE 43 3.033 1.503 3.573 832 1HG1 ILE 43 HG12 ILE 43 4.184 4.250 3.111 833 2HG1 ILE 43 HG11 ILE 43 5.086 2.988 3.941 834 1HG2 ILE 43 HG21 ILE 43 1.912 4.184 2.839 835 2HG2 ILE 43 HG22 ILE 43 0.906 2.879 3.466 836 3HG2 ILE 43 HG23 ILE 43 1.802 2.657 1.958 837 1HD1 ILE 43 HD11 ILE 43 4.027 2.857 1.131 838 2HD1 ILE 43 HD12 ILE 43 4.898 1.568 1.961 839 3HD1 ILE 43 HD13 ILE 43 5.707 3.095 1.610 840 H ILE 44 HN ILE 44 0.467 3.639 5.653 841 HA ILE 44 HA ILE 44 -0.468 1.002 6.592 842 HB ILE 44 HB ILE 44 -2.032 3.272 7.580 843 1HG1 ILE 44 HG12 ILE 44 0.236 4.283 7.724 844 2HG1 ILE 44 HG11 ILE 44 -0.524 4.050 9.292 845 1HG2 ILE 44 HG21 ILE 44 -1.938 1.986 9.676 846 2HG2 ILE 44 HG22 ILE 44 -0.762 0.898 8.939 847 3HG2 ILE 44 HG23 ILE 44 -2.401 0.988 8.299 848 1HD1 ILE 44 HD11 ILE 44 1.951 3.507 9.041 849 2HD1 ILE 44 HD12 ILE 44 1.413 2.053 8.193 850 3HD1 ILE 44 HD13 ILE 44 0.928 2.328 9.868 851 H LEU 45 HN LEU 45 -1.648 0.290 4.866 852 HA LEU 45 HA LEU 45 -3.398 2.205 3.515 853 1HB LEU 45 HB2 LEU 45 -2.367 -0.518 2.843 854 2HB LEU 45 HB1 LEU 45 -3.921 -0.039 2.177 855 HG LEU 45 HG LEU 45 -2.835 1.938 1.144 856 1HD1 LEU 45 HD11 LEU 45 -0.390 1.994 0.999 857 2HD1 LEU 45 HD12 LEU 45 -0.297 0.645 2.132 858 3HD1 LEU 45 HD13 LEU 45 -0.956 2.194 2.657 859 1HD2 LEU 45 HD21 LEU 45 -3.176 -0.114 -0.125 860 2HD2 LEU 45 HD22 LEU 45 -1.621 -0.730 0.434 861 3HD2 LEU 45 HD23 LEU 45 -1.682 0.688 -0.612 862 H LYS 46 HN LYS 46 -5.183 2.540 4.630 863 HA LYS 46 HA LYS 46 -6.677 0.277 5.746 864 1HB LYS 46 HB2 LYS 46 -6.400 2.477 6.990 865 2HB LYS 46 HB1 LYS 46 -7.370 3.225 5.734 866 1HG LYS 46 HG2 LYS 46 -9.109 1.388 6.373 867 2HG LYS 46 HG1 LYS 46 -8.184 1.331 7.878 868 1HD LYS 46 HD2 LYS 46 -9.398 3.813 6.678 869 2HD LYS 46 HD1 LYS 46 -10.085 2.884 8.014 870 1HE LYS 46 HE2 LYS 46 -8.124 3.337 9.362 871 2HE LYS 46 HE1 LYS 46 -7.376 4.204 8.020 872 1HZ LYS 46 HZ1 LYS 46 -8.357 5.747 9.578 873 2HZ LYS 46 HZ2 LYS 46 -9.866 4.989 9.430 874 3HZ LYS 46 HZ3 LYS 46 -9.197 5.810 8.102 875 H LYS 47 HN LYS 47 -8.873 -0.041 5.044 876 HA LYS 47 HA LYS 47 -9.300 0.476 2.240 877 1HB LYS 47 HB2 LYS 47 -11.413 -0.681 2.554 878 2HB LYS 47 HB1 LYS 47 -10.183 -1.547 3.467 879 1HG LYS 47 HG2 LYS 47 -10.955 -0.560 5.527 880 2HG LYS 47 HG1 LYS 47 -12.123 0.427 4.650 881 1HD LYS 47 HD2 LYS 47 -13.344 -1.390 5.535 882 2HD LYS 47 HD1 LYS 47 -13.128 -1.737 3.818 883 1HE LYS 47 HE2 LYS 47 -11.459 -3.344 4.248 884 2HE LYS 47 HE1 LYS 47 -11.269 -2.813 5.920 885 1HZ LYS 47 HZ1 LYS 47 -13.462 -3.649 6.421 886 2HZ LYS 47 HZ2 LYS 47 -12.529 -4.892 5.745 887 3HZ LYS 47 HZ3 LYS 47 -13.704 -4.106 4.807 888 H TYR 48 HN TYR 48 -10.647 2.069 1.347 889 HA TYR 48 HA TYR 48 -11.029 4.375 2.944 890 1HB TYR 48 HB2 TYR 48 -10.689 4.494 0.510 891 2HB TYR 48 HB1 TYR 48 -12.257 3.736 0.260 892 HD1 TYR 48 HD1 TYR 48 -13.758 5.290 -0.580 893 HD2 TYR 48 HD2 TYR 48 -11.071 6.483 2.494 894 HE1 TYR 48 HE1 TYR 48 -14.842 7.499 -0.493 895 HE2 TYR 48 HE2 TYR 48 -12.137 8.691 2.585 896 HH TYR 48 HH TYR 48 -13.484 10.142 1.298 897 H LYS 49 HN LYS 49 -12.882 5.237 3.786 898 HA LYS 49 HA LYS 49 -14.759 3.379 4.803 899 1HB LYS 49 HB2 LYS 49 -14.038 5.587 5.856 900 2HB LYS 49 HB1 LYS 49 -15.076 6.377 4.678 901 1HG LYS 49 HG2 LYS 49 -16.159 6.131 6.860 902 2HG LYS 49 HG1 LYS 49 -17.021 5.266 5.586 903 1HD LYS 49 HD2 LYS 49 -16.928 3.876 7.544 904 2HD LYS 49 HD1 LYS 49 -15.872 3.187 6.310 905 1HE LYS 49 HE2 LYS 49 -13.935 4.211 7.399 906 2HE LYS 49 HE1 LYS 49 -14.994 4.888 8.635 907 1HZ LYS 49 HZ1 LYS 49 -14.651 1.985 8.096 908 2HZ LYS 49 HZ2 LYS 49 -15.576 2.671 9.335 909 3HZ LYS 49 HZ3 LYS 49 -13.887 2.832 9.351 910 HA PRO 50 HA PRO 50 -17.052 3.353 1.054 911 1HB PRO 50 HB2 PRO 50 -18.838 1.447 1.665 912 2HB PRO 50 HB1 PRO 50 -17.126 1.072 1.453 913 1HG PRO 50 HG2 PRO 50 -18.702 1.393 3.962 914 2HG PRO 50 HG1 PRO 50 -17.410 0.240 3.583 915 1HD PRO 50 HD2 PRO 50 -17.087 2.579 5.029 916 2HD PRO 50 HD1 PRO 50 -15.790 1.699 4.217 917 H ASN 51 HN ASN 51 -17.832 5.135 3.426 918 HA ASN 51 HA ASN 51 -20.660 5.361 3.305 919 1HB ASN 51 HB2 ASN 51 -19.417 6.181 5.226 920 2HB ASN 51 HB1 ASN 51 -18.560 7.333 4.214 921 1HD2 ASN 51 HD21 ASN 51 -19.630 9.173 3.499 922 2HD2 ASN 51 HD22 ASN 51 -21.126 9.697 4.187 923 H MET 52 HN MET 52 -21.118 5.355 1.123 924 HA MET 52 HA MET 52 -20.135 7.571 -0.491 925 1HB MET 52 HB2 MET 52 -22.023 5.323 -1.233 926 2HB MET 52 HB1 MET 52 -21.262 6.456 -2.344 927 1HG MET 52 HG2 MET 52 -19.101 5.541 -1.906 928 2HG MET 52 HG1 MET 52 -19.741 4.532 -0.606 929 1HE MET 52 HE1 MET 52 -21.370 2.489 -0.989 930 2HE MET 52 HE2 MET 52 -21.955 1.975 -2.572 931 3HE MET 52 HE3 MET 52 -22.486 3.512 -1.891 932 H THR 53 HN THR 53 -21.148 9.429 -0.172 933 HA THR 53 HA THR 53 -24.065 9.360 0.054 934 HB THR 53 HB THR 53 -23.897 11.419 1.449 935 HG1 THR 53 HG1 THR 53 -21.642 11.802 0.801 936 1HG2 THR 53 HG21 THR 53 -23.380 10.248 3.524 937 2HG2 THR 53 HG22 THR 53 -22.578 8.968 2.617 938 3HG2 THR 53 HG23 THR 53 -24.316 9.210 2.448 Start of MODEL 6 1 1H MET 1 HT1 MET 1 7.475 14.898 7.218 2 2H MET 1 HT2 MET 1 5.893 15.275 6.729 3 3H MET 1 HT3 MET 1 7.206 15.702 5.745 4 HA MET 1 HA MET 1 5.960 13.759 4.954 5 1HB MET 1 HB2 MET 1 7.968 12.335 4.571 6 2HB MET 1 HB1 MET 1 8.233 14.036 4.221 7 1HG MET 1 HG2 MET 1 9.330 14.266 6.431 8 2HG MET 1 HG1 MET 1 9.154 12.527 6.656 9 1HE MET 1 HE1 MET 1 9.987 14.572 3.399 10 2HE MET 1 HE2 MET 1 11.750 14.487 3.381 11 3HE MET 1 HE3 MET 1 10.923 15.391 4.649 12 H LYS 2 HN LYS 2 4.485 12.589 5.894 13 HA LYS 2 HA LYS 2 5.117 10.294 7.403 14 1HB LYS 2 HB2 LYS 2 3.660 11.064 9.436 15 2HB LYS 2 HB1 LYS 2 5.360 11.497 9.379 16 1HG LYS 2 HG2 LYS 2 4.321 13.453 10.059 17 2HG LYS 2 HG1 LYS 2 4.558 13.695 8.332 18 1HD LYS 2 HD2 LYS 2 2.368 14.457 8.899 19 2HD LYS 2 HD1 LYS 2 2.206 12.962 7.972 20 1HE LYS 2 HE2 LYS 2 1.775 11.701 9.963 21 2HE LYS 2 HE1 LYS 2 2.154 13.093 10.981 22 1HZ LYS 2 HZ1 LYS 2 -0.147 12.856 9.114 23 2HZ LYS 2 HZ2 LYS 2 0.235 14.242 10.009 24 3HZ LYS 2 HZ3 LYS 2 -0.217 12.814 10.809 25 H SER 3 HN SER 3 2.580 10.059 8.723 26 HA SER 3 HA SER 3 0.907 9.061 6.756 27 1HB SER 3 HB2 SER 3 0.665 8.671 9.199 28 2HB SER 3 HB1 SER 3 0.056 10.313 9.349 29 HG SER 3 HG SER 3 -1.813 9.455 8.955 30 H THR 4 HN THR 4 -0.747 9.783 5.621 31 HA THR 4 HA THR 4 -1.086 12.681 5.598 32 HB THR 4 HB THR 4 -1.660 12.356 3.169 33 HG1 THR 4 HG1 THR 4 -1.789 9.941 3.566 34 1HG2 THR 4 HG21 THR 4 0.681 12.307 2.465 35 2HG2 THR 4 HG22 THR 4 1.136 11.654 4.040 36 3HG2 THR 4 HG23 THR 4 0.479 13.285 3.921 37 H GLY 5 HN GLY 5 -2.599 9.563 5.633 38 1HA GLY 5 HA2 GLY 5 -4.794 8.903 5.753 39 2HA GLY 5 HA1 GLY 5 -5.198 10.570 6.166 40 H ILE 6 HN ILE 6 -3.630 9.247 3.324 41 HA ILE 6 HA ILE 6 -5.483 10.791 1.645 42 HB ILE 6 HB ILE 6 -2.577 10.508 1.728 43 1HG1 ILE 6 HG12 ILE 6 -2.689 12.573 0.369 44 2HG1 ILE 6 HG11 ILE 6 -4.423 12.352 0.178 45 1HG2 ILE 6 HG21 ILE 6 -2.182 10.467 -0.703 46 2HG2 ILE 6 HG22 ILE 6 -3.889 10.119 -0.974 47 3HG2 ILE 6 HG23 ILE 6 -2.877 8.952 -0.122 48 1HD1 ILE 6 HD11 ILE 6 -3.908 14.012 1.871 49 2HD1 ILE 6 HD12 ILE 6 -2.987 12.814 2.779 50 3HD1 ILE 6 HD13 ILE 6 -4.727 12.617 2.575 51 H VAL 7 HN VAL 7 -6.767 9.661 0.256 52 HA VAL 7 HA VAL 7 -6.326 6.776 0.202 53 HB VAL 7 HB VAL 7 -8.543 6.431 -0.293 54 1HG1 VAL 7 HG11 VAL 7 -9.894 7.958 1.148 55 2HG1 VAL 7 HG12 VAL 7 -8.439 8.938 1.353 56 3HG1 VAL 7 HG13 VAL 7 -8.465 7.261 1.910 57 1HG2 VAL 7 HG21 VAL 7 -8.892 7.674 -2.261 58 2HG2 VAL 7 HG22 VAL 7 -8.662 9.212 -1.427 59 3HG2 VAL 7 HG23 VAL 7 -10.103 8.243 -1.111 60 H ARG 8 HN ARG 8 -6.110 5.589 -1.655 61 HA ARG 8 HA ARG 8 -6.078 7.004 -4.236 62 1HB ARG 8 HB2 ARG 8 -3.921 5.164 -3.196 63 2HB ARG 8 HB1 ARG 8 -4.089 5.623 -4.887 64 1HG ARG 8 HG2 ARG 8 -3.544 7.462 -2.577 65 2HG ARG 8 HG1 ARG 8 -2.425 7.000 -3.867 66 1HD ARG 8 HD2 ARG 8 -3.996 7.960 -5.503 67 2HD ARG 8 HD1 ARG 8 -5.003 8.509 -4.170 68 HE ARG 8 HE ARG 8 -2.238 9.469 -4.625 69 1HH1 ARG 8 HH11 ARG 8 -5.560 9.985 -3.660 70 2HH1 ARG 8 HH12 ARG 8 -5.352 11.681 -3.353 71 1HH2 ARG 8 HH21 ARG 8 -1.930 11.707 -4.157 72 2HH2 ARG 8 HH22 ARG 8 -3.280 12.652 -3.593 73 H LYS 9 HN LYS 9 -6.360 5.609 -6.057 74 HA LYS 9 HA LYS 9 -8.176 3.422 -5.559 75 1HB LYS 9 HB2 LYS 9 -6.933 4.425 -8.135 76 2HB LYS 9 HB1 LYS 9 -8.226 3.241 -8.028 77 1HG LYS 9 HG2 LYS 9 -8.611 5.911 -6.783 78 2HG LYS 9 HG1 LYS 9 -8.728 5.754 -8.538 79 1HD LYS 9 HD2 LYS 9 -10.876 5.236 -8.135 80 2HD LYS 9 HD1 LYS 9 -10.238 3.647 -7.715 81 1HE LYS 9 HE2 LYS 9 -11.706 4.317 -5.968 82 2HE LYS 9 HE1 LYS 9 -10.061 4.443 -5.347 83 1HZ LYS 9 HZ1 LYS 9 -10.108 6.788 -5.587 84 2HZ LYS 9 HZ2 LYS 9 -11.561 6.354 -4.817 85 3HZ LYS 9 HZ3 LYS 9 -11.561 6.742 -6.465 86 H VAL 10 HN VAL 10 -7.901 1.278 -6.307 87 HA VAL 10 HA VAL 10 -5.154 0.326 -6.063 88 HB VAL 10 HB VAL 10 -7.688 -1.309 -6.355 89 1HG1 VAL 10 HG11 VAL 10 -4.954 -2.052 -5.319 90 2HG1 VAL 10 HG12 VAL 10 -5.681 -2.587 -6.835 91 3HG1 VAL 10 HG13 VAL 10 -6.377 -3.094 -5.298 92 1HG2 VAL 10 HG21 VAL 10 -6.274 -0.405 -3.850 93 2HG2 VAL 10 HG22 VAL 10 -7.626 -1.537 -3.917 94 3HG2 VAL 10 HG23 VAL 10 -7.854 0.140 -4.413 95 H ASP 11 HN ASP 11 -6.651 1.669 -8.456 96 HA ASP 11 HA ASP 11 -5.947 1.949 -10.587 97 1HB ASP 11 HB2 ASP 11 -3.731 1.234 -9.793 98 2HB ASP 11 HB1 ASP 11 -4.182 -0.445 -10.033 99 H GLU 12 HN GLU 12 -5.212 -1.243 -11.354 100 HA GLU 12 HA GLU 12 -7.910 -2.133 -11.870 101 1HB GLU 12 HB2 GLU 12 -7.007 -2.518 -14.376 102 2HB GLU 12 HB1 GLU 12 -7.913 -1.078 -13.905 103 1HG GLU 12 HG2 GLU 12 -5.616 -0.061 -13.402 104 2HG GLU 12 HG1 GLU 12 -4.969 -1.408 -14.335 105 H LEU 13 HN LEU 13 -4.457 -2.573 -12.426 106 HA LEU 13 HA LEU 13 -4.754 -5.440 -12.608 107 1HB LEU 13 HB2 LEU 13 -2.397 -3.582 -12.715 108 2HB LEU 13 HB1 LEU 13 -2.179 -5.317 -12.606 109 HG LEU 13 HG LEU 13 -1.978 -4.634 -14.910 110 1HD1 LEU 13 HD11 LEU 13 -3.013 -6.788 -14.484 111 2HD1 LEU 13 HD12 LEU 13 -3.686 -6.040 -15.933 112 3HD1 LEU 13 HD13 LEU 13 -4.604 -6.028 -14.427 113 1HD2 LEU 13 HD21 LEU 13 -3.260 -2.557 -14.821 114 2HD2 LEU 13 HD22 LEU 13 -4.762 -3.474 -14.647 115 3HD2 LEU 13 HD23 LEU 13 -3.815 -3.593 -16.135 116 H GLY 14 HN GLY 14 -4.621 -3.224 -10.133 117 1HA GLY 14 HA2 GLY 14 -5.234 -4.091 -7.962 118 2HA GLY 14 HA1 GLY 14 -4.136 -5.439 -8.248 119 H ARG 15 HN ARG 15 -3.040 -2.390 -9.234 120 HA ARG 15 HA ARG 15 -1.233 -2.337 -6.955 121 1HB ARG 15 HB2 ARG 15 0.163 -0.891 -8.486 122 2HB ARG 15 HB1 ARG 15 -0.037 -2.572 -8.963 123 1HG ARG 15 HG2 ARG 15 -2.124 -1.342 -10.240 124 2HG ARG 15 HG1 ARG 15 -0.839 -0.124 -10.314 125 1HD ARG 15 HD2 ARG 15 0.669 -1.731 -11.295 126 2HD ARG 15 HD1 ARG 15 -0.544 -3.002 -11.159 127 HE ARG 15 HE ARG 15 -1.849 -1.205 -12.653 128 1HH1 ARG 15 HH11 ARG 15 1.443 -2.392 -12.893 129 2HH1 ARG 15 HH12 ARG 15 1.511 -2.250 -14.619 130 1HH2 ARG 15 HH21 ARG 15 -1.754 -1.008 -14.949 131 2HH2 ARG 15 HH22 ARG 15 -0.295 -1.462 -15.787 132 H VAL 16 HN VAL 16 -1.495 -0.811 -5.445 133 HA VAL 16 HA VAL 16 -3.330 1.380 -5.965 134 HB VAL 16 HB VAL 16 -3.206 0.115 -3.739 135 1HG1 VAL 16 HG11 VAL 16 -0.819 1.864 -3.301 136 2HG1 VAL 16 HG12 VAL 16 -0.812 0.108 -3.451 137 3HG1 VAL 16 HG13 VAL 16 -1.625 0.873 -2.084 138 1HG2 VAL 16 HG21 VAL 16 -3.737 2.094 -2.422 139 2HG2 VAL 16 HG22 VAL 16 -4.472 2.177 -4.023 140 3HG2 VAL 16 HG23 VAL 16 -3.023 3.115 -3.668 141 H VAL 17 HN VAL 17 -2.710 3.384 -6.549 142 HA VAL 17 HA VAL 17 0.080 3.760 -7.116 143 HB VAL 17 HB VAL 17 -2.070 5.857 -7.351 144 1HG1 VAL 17 HG11 VAL 17 0.559 5.530 -8.780 145 2HG1 VAL 17 HG12 VAL 17 0.213 6.691 -7.496 146 3HG1 VAL 17 HG13 VAL 17 -0.614 6.820 -9.048 147 1HG2 VAL 17 HG21 VAL 17 -2.788 3.873 -8.562 148 2HG2 VAL 17 HG22 VAL 17 -1.237 3.816 -9.405 149 3HG2 VAL 17 HG23 VAL 17 -2.345 5.164 -9.680 150 H ILE 18 HN ILE 18 0.994 3.661 -5.085 151 HA ILE 18 HA ILE 18 0.256 5.349 -2.973 152 HB ILE 18 HB ILE 18 1.432 3.568 -2.202 153 1HG1 ILE 18 HG12 ILE 18 3.634 5.618 -2.412 154 2HG1 ILE 18 HG11 ILE 18 2.297 5.713 -1.267 155 1HG2 ILE 18 HG21 ILE 18 3.489 3.966 -4.353 156 2HG2 ILE 18 HG22 ILE 18 2.269 2.692 -4.276 157 3HG2 ILE 18 HG23 ILE 18 3.575 2.739 -3.090 158 1HD1 ILE 18 HD11 ILE 18 4.338 3.507 -1.389 159 2HD1 ILE 18 HD12 ILE 18 3.036 3.664 -0.207 160 3HD1 ILE 18 HD13 ILE 18 4.341 4.851 -0.248 161 HA PRO 19 HA PRO 19 1.518 9.097 -4.831 162 1HB PRO 19 HB2 PRO 19 1.835 10.009 -2.018 163 2HB PRO 19 HB1 PRO 19 0.921 10.741 -3.343 164 1HG PRO 19 HG2 PRO 19 -0.355 9.420 -1.430 165 2HG PRO 19 HG1 PRO 19 -0.850 9.230 -3.124 166 1HD PRO 19 HD2 PRO 19 0.757 7.383 -1.404 167 2HD PRO 19 HD1 PRO 19 -0.501 7.004 -2.601 168 H ILE 20 HN ILE 20 3.282 10.207 -5.366 169 HA ILE 20 HA ILE 20 5.835 9.199 -5.013 170 HB ILE 20 HB ILE 20 6.661 11.328 -5.898 171 1HG1 ILE 20 HG12 ILE 20 4.491 12.885 -6.505 172 2HG1 ILE 20 HG11 ILE 20 4.050 12.295 -4.898 173 1HG2 ILE 20 HG21 ILE 20 5.663 9.648 -7.384 174 2HG2 ILE 20 HG22 ILE 20 5.472 11.290 -8.001 175 3HG2 ILE 20 HG23 ILE 20 4.107 10.467 -7.245 176 1HD1 ILE 20 HD11 ILE 20 6.052 13.208 -3.954 177 2HD1 ILE 20 HD12 ILE 20 5.227 14.467 -4.879 178 3HD1 ILE 20 HD13 ILE 20 6.650 13.669 -5.551 179 H GLU 21 HN GLU 21 4.071 11.499 -3.134 180 HA GLU 21 HA GLU 21 6.286 12.574 -1.722 181 1HB GLU 21 HB2 GLU 21 4.265 13.367 -0.215 182 2HB GLU 21 HB1 GLU 21 4.553 14.080 -1.798 183 1HG GLU 21 HG2 GLU 21 2.898 12.505 -2.766 184 2HG GLU 21 HG1 GLU 21 2.559 11.919 -1.132 185 H LEU 22 HN LEU 22 3.896 10.091 -1.108 186 HA LEU 22 HA LEU 22 4.780 9.644 1.552 187 1HB LEU 22 HB2 LEU 22 2.994 8.181 -0.335 188 2HB LEU 22 HB1 LEU 22 3.526 7.404 1.152 189 HG LEU 22 HG LEU 22 2.710 9.653 2.228 190 1HD1 LEU 22 HD11 LEU 22 2.163 10.784 0.170 191 2HD1 LEU 22 HD12 LEU 22 0.703 10.519 1.122 192 3HD1 LEU 22 HD13 LEU 22 1.046 9.493 -0.273 193 1HD2 LEU 22 HD21 LEU 22 0.531 8.587 2.619 194 2HD2 LEU 22 HD22 LEU 22 1.870 7.448 2.768 195 3HD2 LEU 22 HD23 LEU 22 0.872 7.449 1.314 196 H ARG 23 HN ARG 23 5.461 8.130 -1.588 197 HA ARG 23 HA ARG 23 7.206 6.181 -0.449 198 1HB ARG 23 HB2 ARG 23 7.836 5.640 -2.706 199 2HB ARG 23 HB1 ARG 23 6.110 5.963 -2.702 200 1HG ARG 23 HG2 ARG 23 6.715 7.107 -4.568 201 2HG ARG 23 HG1 ARG 23 6.913 8.386 -3.364 202 1HD ARG 23 HD2 ARG 23 9.340 7.512 -3.186 203 2HD ARG 23 HD1 ARG 23 9.008 6.724 -4.727 204 HE ARG 23 HE ARG 23 8.378 9.115 -5.451 205 1HH1 ARG 23 HH11 ARG 23 10.953 8.189 -3.276 206 2HH1 ARG 23 HH12 ARG 23 11.896 9.622 -3.556 207 1HH2 ARG 23 HH21 ARG 23 9.597 11.039 -5.814 208 2HH2 ARG 23 HH22 ARG 23 11.113 11.253 -4.984 209 H ARG 24 HN ARG 24 7.433 9.486 -1.136 210 HA ARG 24 HA ARG 24 10.306 9.653 -1.077 211 1HB ARG 24 HB2 ARG 24 8.742 11.305 -2.161 212 2HB ARG 24 HB1 ARG 24 8.253 11.799 -0.549 213 1HG ARG 24 HG2 ARG 24 11.134 11.876 -1.334 214 2HG ARG 24 HG1 ARG 24 10.038 13.167 -1.830 215 1HD ARG 24 HD2 ARG 24 9.497 13.674 0.436 216 2HD ARG 24 HD1 ARG 24 10.350 12.237 1.008 217 HE ARG 24 HE ARG 24 12.429 13.306 0.368 218 1HH1 ARG 24 HH11 ARG 24 9.603 15.385 0.479 219 2HH1 ARG 24 HH12 ARG 24 10.517 16.833 0.776 220 1HH2 ARG 24 HH21 ARG 24 13.639 15.224 0.706 221 2HH2 ARG 24 HH22 ARG 24 12.809 16.748 0.886 222 H THR 25 HN THR 25 7.646 9.643 1.132 223 HA THR 25 HA THR 25 8.977 10.657 3.400 224 HB THR 25 HB THR 25 6.576 8.840 3.194 225 HG1 THR 25 HG1 THR 25 6.487 11.050 2.276 226 1HG2 THR 25 HG21 THR 25 7.690 10.366 5.543 227 2HG2 THR 25 HG22 THR 25 7.474 8.620 5.404 228 3HG2 THR 25 HG23 THR 25 6.066 9.680 5.493 229 H LEU 26 HN LEU 26 8.421 7.400 2.153 230 HA LEU 26 HA LEU 26 9.995 6.195 4.256 231 1HB LEU 26 HB2 LEU 26 9.266 4.855 1.669 232 2HB LEU 26 HB1 LEU 26 9.636 4.115 3.208 233 HG LEU 26 HG LEU 26 7.425 3.812 3.298 234 1HD1 LEU 26 HD11 LEU 26 6.170 5.492 4.457 235 2HD1 LEU 26 HD12 LEU 26 7.324 6.735 3.972 236 3HD1 LEU 26 HD13 LEU 26 7.821 5.455 5.080 237 1HD2 LEU 26 HD21 LEU 26 7.083 4.462 1.014 238 2HD2 LEU 26 HD22 LEU 26 7.037 6.161 1.485 239 3HD2 LEU 26 HD23 LEU 26 5.772 5.061 2.029 240 H GLY 27 HN GLY 27 10.509 7.685 1.267 241 1HA GLY 27 HA2 GLY 27 12.440 8.215 0.149 242 2HA GLY 27 HA1 GLY 27 13.343 7.377 1.393 243 H ILE 28 HN ILE 28 10.817 5.629 -0.072 244 HA ILE 28 HA ILE 28 12.637 3.857 -1.456 245 HB ILE 28 HB ILE 28 10.663 2.527 -1.960 246 1HG1 ILE 28 HG12 ILE 28 9.038 4.722 -0.671 247 2HG1 ILE 28 HG11 ILE 28 9.183 4.462 -2.412 248 1HG2 ILE 28 HG21 ILE 28 11.651 2.238 0.234 249 2HG2 ILE 28 HG22 ILE 28 9.902 2.038 0.324 250 3HG2 ILE 28 HG23 ILE 28 10.649 3.536 0.880 251 1HD1 ILE 28 HD11 ILE 28 8.252 2.200 -2.089 252 2HD1 ILE 28 HD12 ILE 28 7.139 3.504 -1.667 253 3HD1 ILE 28 HD13 ILE 28 7.968 2.603 -0.396 254 H ALA 29 HN ALA 29 10.846 3.177 -3.566 255 HA ALA 29 HA ALA 29 10.439 5.452 -5.242 256 1HB ALA 29 HB1 ALA 29 12.867 5.278 -5.426 257 2HB ALA 29 HB2 ALA 29 12.091 4.856 -6.951 258 3HB ALA 29 HB3 ALA 29 12.717 3.586 -5.902 259 H GLU 30 HN GLU 30 10.187 4.485 -7.628 260 HA GLU 30 HA GLU 30 7.948 2.732 -7.423 261 1HB GLU 30 HB2 GLU 30 7.993 2.920 -9.949 262 2HB GLU 30 HB1 GLU 30 7.929 4.468 -9.104 263 1HG GLU 30 HG2 GLU 30 10.279 4.812 -9.429 264 2HG GLU 30 HG1 GLU 30 10.473 3.192 -10.086 265 H LYS 31 HN LYS 31 11.279 2.374 -8.157 266 HA LYS 31 HA LYS 31 10.945 -0.313 -9.188 267 1HB LYS 31 HB2 LYS 31 13.553 1.036 -8.575 268 2HB LYS 31 HB1 LYS 31 13.213 -0.205 -9.777 269 1HG LYS 31 HG2 LYS 31 11.987 2.511 -9.965 270 2HG LYS 31 HG1 LYS 31 13.616 2.203 -10.568 271 1HD LYS 31 HD2 LYS 31 12.131 1.988 -12.413 272 2HD LYS 31 HD1 LYS 31 12.632 0.358 -11.959 273 1HE LYS 31 HE2 LYS 31 10.562 -0.218 -11.218 274 2HE LYS 31 HE1 LYS 31 10.155 1.427 -10.732 275 1HZ LYS 31 HZ1 LYS 31 10.316 0.507 -13.556 276 2HZ LYS 31 HZ2 LYS 31 9.772 2.020 -12.998 277 3HZ LYS 31 HZ3 LYS 31 8.882 0.619 -12.657 278 H ASP 32 HN ASP 32 10.792 1.046 -6.275 279 HA ASP 32 HA ASP 32 12.490 -0.781 -4.850 280 1HB ASP 32 HB2 ASP 32 11.146 1.670 -4.174 281 2HB ASP 32 HB1 ASP 32 10.752 0.414 -2.998 282 H ALA 33 HN ALA 33 11.627 -2.125 -3.114 283 HA ALA 33 HA ALA 33 8.971 -3.196 -3.809 284 1HB ALA 33 HB1 ALA 33 11.240 -4.598 -2.371 285 2HB ALA 33 HB2 ALA 33 10.802 -4.832 -4.062 286 3HB ALA 33 HB3 ALA 33 9.675 -5.304 -2.788 287 H LEU 34 HN LEU 34 7.645 -3.800 -2.014 288 HA LEU 34 HA LEU 34 8.327 -2.480 0.526 289 1HB LEU 34 HB2 LEU 34 5.693 -2.407 -0.965 290 2HB LEU 34 HB1 LEU 34 5.890 -1.901 0.703 291 HG LEU 34 HG LEU 34 7.350 -0.641 -1.624 292 1HD1 LEU 34 HD11 LEU 34 4.939 -0.278 -1.819 293 2HD1 LEU 34 HD12 LEU 34 5.771 1.212 -1.375 294 3HD1 LEU 34 HD13 LEU 34 4.883 0.300 -0.151 295 1HD2 LEU 34 HD21 LEU 34 8.498 -0.409 0.502 296 2HD2 LEU 34 HD22 LEU 34 7.017 0.166 1.267 297 3HD2 LEU 34 HD23 LEU 34 7.799 1.137 0.020 298 H GLU 35 HN GLU 35 7.931 -3.780 2.250 299 HA GLU 35 HA GLU 35 6.952 -6.448 1.687 300 1HB GLU 35 HB2 GLU 35 9.095 -5.904 3.016 301 2HB GLU 35 HB1 GLU 35 8.000 -5.473 4.328 302 1HG GLU 35 HG2 GLU 35 7.037 -7.696 4.283 303 2HG GLU 35 HG1 GLU 35 8.081 -8.128 2.932 304 H ILE 36 HN ILE 36 4.839 -6.490 1.649 305 HA ILE 36 HA ILE 36 3.345 -4.693 3.389 306 HB ILE 36 HB ILE 36 2.453 -6.505 1.168 307 1HG1 ILE 36 HG12 ILE 36 1.855 -3.870 0.532 308 2HG1 ILE 36 HG11 ILE 36 3.442 -3.776 1.291 309 1HG2 ILE 36 HG21 ILE 36 0.909 -4.684 2.986 310 2HG2 ILE 36 HG22 ILE 36 0.593 -6.375 2.595 311 3HG2 ILE 36 HG23 ILE 36 0.306 -5.124 1.385 312 1HD1 ILE 36 HD11 ILE 36 3.632 -4.014 -1.110 313 2HD1 ILE 36 HD12 ILE 36 2.700 -5.511 -1.052 314 3HD1 ILE 36 HD13 ILE 36 4.289 -5.431 -0.289 315 H TYR 37 HN TYR 37 2.184 -5.202 5.030 316 HA TYR 37 HA TYR 37 1.622 -8.023 5.733 317 1HB TYR 37 HB2 TYR 37 2.043 -5.803 7.748 318 2HB TYR 37 HB1 TYR 37 1.933 -7.531 8.041 319 HD1 TYR 37 HD1 TYR 37 4.119 -4.811 6.909 320 HD2 TYR 37 HD2 TYR 37 3.843 -8.956 7.822 321 HE1 TYR 37 HE1 TYR 37 6.572 -4.954 6.984 322 HE2 TYR 37 HE2 TYR 37 6.293 -9.110 7.887 323 HH TYR 37 HH TYR 37 8.238 -7.890 6.945 324 H VAL 38 HN VAL 38 -0.167 -7.821 7.624 325 HA VAL 38 HA VAL 38 -2.039 -5.659 7.118 326 HB VAL 38 HB VAL 38 -2.670 -8.528 6.493 327 1HG1 VAL 38 HG11 VAL 38 -4.527 -6.379 7.430 328 2HG1 VAL 38 HG12 VAL 38 -4.469 -8.085 7.894 329 3HG1 VAL 38 HG13 VAL 38 -5.093 -7.625 6.309 330 1HG2 VAL 38 HG21 VAL 38 -1.969 -7.091 4.639 331 2HG2 VAL 38 HG22 VAL 38 -3.280 -5.974 5.021 332 3HG2 VAL 38 HG23 VAL 38 -3.647 -7.607 4.467 333 H ASP 39 HN ASP 39 -2.991 -5.035 8.862 334 HA ASP 39 HA ASP 39 -2.689 -6.621 11.314 335 1HB ASP 39 HB2 ASP 39 -1.705 -4.416 11.500 336 2HB ASP 39 HB1 ASP 39 -3.167 -3.657 10.879 337 H ASP 40 HN ASP 40 -4.388 -7.890 11.557 338 HA ASP 40 HA ASP 40 -6.505 -8.633 11.791 339 1HB ASP 40 HB2 ASP 40 -6.732 -5.791 12.405 340 2HB ASP 40 HB1 ASP 40 -8.231 -6.461 11.753 341 H GLU 41 HN GLU 41 -7.126 -5.704 9.927 342 HA GLU 41 HA GLU 41 -7.639 -7.254 7.535 343 1HB GLU 41 HB2 GLU 41 -9.899 -6.276 7.254 344 2HB GLU 41 HB1 GLU 41 -9.791 -7.357 8.639 345 1HG GLU 41 HG2 GLU 41 -9.687 -5.502 10.153 346 2HG GLU 41 HG1 GLU 41 -9.608 -4.361 8.805 347 H LYS 42 HN LYS 42 -5.869 -4.971 8.621 348 HA LYS 42 HA LYS 42 -6.355 -3.284 6.291 349 1HB LYS 42 HB2 LYS 42 -5.689 -1.304 7.452 350 2HB LYS 42 HB1 LYS 42 -6.890 -2.119 8.444 351 1HG LYS 42 HG2 LYS 42 -5.362 -2.723 10.053 352 2HG LYS 42 HG1 LYS 42 -3.993 -2.614 8.943 353 1HD LYS 42 HD2 LYS 42 -4.301 -0.157 8.877 354 2HD LYS 42 HD1 LYS 42 -5.582 -0.315 10.080 355 1HE LYS 42 HE2 LYS 42 -2.835 -1.401 10.582 356 2HE LYS 42 HE1 LYS 42 -3.203 0.301 10.869 357 1HZ LYS 42 HZ1 LYS 42 -3.505 -0.828 12.902 358 2HZ LYS 42 HZ2 LYS 42 -4.402 -2.074 12.188 359 3HZ LYS 42 HZ3 LYS 42 -5.071 -0.520 12.318 360 H ILE 43 HN ILE 43 -4.473 -2.098 5.514 361 HA ILE 43 HA ILE 43 -2.469 -4.177 5.091 362 HB ILE 43 HB ILE 43 -2.799 -1.633 3.525 363 1HG1 ILE 43 HG12 ILE 43 -4.214 -4.228 2.918 364 2HG1 ILE 43 HG11 ILE 43 -4.982 -2.915 3.804 365 1HG2 ILE 43 HG21 ILE 43 -1.759 -2.804 1.768 366 2HG2 ILE 43 HG22 ILE 43 -1.941 -4.354 2.590 367 3HG2 ILE 43 HG23 ILE 43 -0.810 -3.153 3.219 368 1HD1 ILE 43 HD11 ILE 43 -3.885 -2.738 1.009 369 2HD1 ILE 43 HD12 ILE 43 -4.689 -1.442 1.896 370 3HD1 ILE 43 HD13 ILE 43 -5.585 -2.894 1.449 371 H ILE 44 HN ILE 44 -0.295 -3.879 5.392 372 HA ILE 44 HA ILE 44 0.594 -1.279 6.468 373 HB ILE 44 HB ILE 44 2.151 -3.544 7.464 374 1HG1 ILE 44 HG12 ILE 44 -0.122 -4.584 7.496 375 2HG1 ILE 44 HG11 ILE 44 0.613 -4.414 9.085 376 1HG2 ILE 44 HG21 ILE 44 0.784 -1.235 8.841 377 2HG2 ILE 44 HG22 ILE 44 2.445 -1.270 8.244 378 3HG2 ILE 44 HG23 ILE 44 1.964 -2.321 9.576 379 1HD1 ILE 44 HD11 ILE 44 -0.862 -2.726 9.707 380 2HD1 ILE 44 HD12 ILE 44 -1.862 -3.887 8.821 381 3HD1 ILE 44 HD13 ILE 44 -1.331 -2.397 8.039 382 H LEU 45 HN LEU 45 1.827 -0.524 4.805 383 HA LEU 45 HA LEU 45 3.544 -2.410 3.381 384 1HB LEU 45 HB2 LEU 45 2.566 0.364 2.812 385 2HB LEU 45 HB1 LEU 45 4.039 -0.201 2.036 386 HG LEU 45 HG LEU 45 2.753 -2.108 1.080 387 1HD1 LEU 45 HD11 LEU 45 0.311 -1.999 1.103 388 2HD1 LEU 45 HD12 LEU 45 0.379 -0.616 2.193 389 3HD1 LEU 45 HD13 LEU 45 0.957 -2.191 2.733 390 1HD2 LEU 45 HD21 LEU 45 1.604 -0.769 -0.611 391 2HD2 LEU 45 HD22 LEU 45 3.175 -0.075 -0.207 392 3HD2 LEU 45 HD23 LEU 45 1.701 0.647 0.437 393 H LYS 46 HN LYS 46 5.371 -2.780 4.406 394 HA LYS 46 HA LYS 46 6.937 -0.515 5.474 395 1HB LYS 46 HB2 LYS 46 6.692 -2.600 6.853 396 2HB LYS 46 HB1 LYS 46 7.460 -3.510 5.564 397 1HG LYS 46 HG2 LYS 46 9.446 -1.953 5.872 398 2HG LYS 46 HG1 LYS 46 8.671 -1.465 7.386 399 1HD LYS 46 HD2 LYS 46 10.188 -3.212 7.926 400 2HD LYS 46 HD1 LYS 46 8.565 -3.913 7.973 401 1HE LYS 46 HE2 LYS 46 8.888 -4.762 5.687 402 2HE LYS 46 HE1 LYS 46 10.521 -4.104 5.686 403 1HZ LYS 46 HZ1 LYS 46 9.488 -6.232 7.481 404 2HZ LYS 46 HZ2 LYS 46 11.048 -5.570 7.564 405 3HZ LYS 46 HZ3 LYS 46 10.565 -6.444 6.189 406 H LYS 47 HN LYS 47 9.107 -0.219 4.634 407 HA LYS 47 HA LYS 47 9.341 -0.780 1.833 408 1HB LYS 47 HB2 LYS 47 11.544 0.245 1.962 409 2HB LYS 47 HB1 LYS 47 10.391 1.219 2.869 410 1HG LYS 47 HG2 LYS 47 11.287 0.588 4.920 411 2HG LYS 47 HG1 LYS 47 12.113 -0.815 4.237 412 1HD LYS 47 HD2 LYS 47 13.739 0.892 4.707 413 2HD LYS 47 HD1 LYS 47 13.563 0.747 2.957 414 1HE LYS 47 HE2 LYS 47 12.067 2.678 2.953 415 2HE LYS 47 HE1 LYS 47 12.248 2.817 4.700 416 1HZ LYS 47 HZ1 LYS 47 14.624 3.200 4.373 417 2HZ LYS 47 HZ2 LYS 47 13.691 4.367 3.575 418 3HZ LYS 47 HZ3 LYS 47 14.416 3.114 2.690 419 H TYR 48 HN TYR 48 10.602 -2.324 0.811 420 HA TYR 48 HA TYR 48 11.041 -4.739 2.203 421 1HB TYR 48 HB2 TYR 48 10.648 -4.867 -0.136 422 2HB TYR 48 HB1 TYR 48 11.968 -3.765 -0.494 423 HD1 TYR 48 HD1 TYR 48 11.398 -7.082 1.146 424 HD2 TYR 48 HD2 TYR 48 13.935 -4.679 -1.283 425 HE1 TYR 48 HE1 TYR 48 12.897 -9.004 0.817 426 HE2 TYR 48 HE2 TYR 48 15.441 -6.592 -1.613 427 HH TYR 48 HH TYR 48 14.590 -9.756 -0.859 428 H LYS 49 HN LYS 49 12.882 -5.701 2.889 429 HA LYS 49 HA LYS 49 14.843 -4.007 4.043 430 1HB LYS 49 HB2 LYS 49 14.084 -6.182 5.012 431 2HB LYS 49 HB1 LYS 49 14.892 -7.009 3.687 432 1HG LYS 49 HG2 LYS 49 16.259 -7.087 5.666 433 2HG LYS 49 HG1 LYS 49 17.038 -6.090 4.436 434 1HD LYS 49 HD2 LYS 49 17.259 -4.994 6.557 435 2HD LYS 49 HD1 LYS 49 16.103 -4.082 5.580 436 1HE LYS 49 HE2 LYS 49 14.253 -5.119 6.754 437 2HE LYS 49 HE1 LYS 49 15.373 -6.119 7.678 438 1HZ LYS 49 HZ1 LYS 49 16.315 -4.067 8.613 439 2HZ LYS 49 HZ2 LYS 49 14.675 -4.258 9.002 440 3HZ LYS 49 HZ3 LYS 49 15.138 -3.159 7.795 441 HA PRO 50 HA PRO 50 17.174 -3.979 0.240 442 1HB PRO 50 HB2 PRO 50 18.763 -1.846 1.191 443 2HB PRO 50 HB1 PRO 50 17.349 -1.733 0.150 444 1HG PRO 50 HG2 PRO 50 17.543 -0.791 2.773 445 2HG PRO 50 HG1 PRO 50 16.047 -1.018 1.852 446 1HD PRO 50 HD2 PRO 50 17.279 -2.756 3.931 447 2HD PRO 50 HD1 PRO 50 15.571 -2.483 3.547 448 H ASN 51 HN ASN 51 17.922 -5.451 2.819 449 HA ASN 51 HA ASN 51 20.813 -5.374 2.762 450 1HB ASN 51 HB2 ASN 51 19.706 -5.594 4.907 451 2HB ASN 51 HB1 ASN 51 18.882 -7.049 4.364 452 1HD2 ASN 51 HD21 ASN 51 22.254 -6.110 3.840 453 2HD2 ASN 51 HD22 ASN 51 22.939 -7.433 4.727 454 H MET 52 HN MET 52 21.690 -6.348 1.043 455 HA MET 52 HA MET 52 20.952 -9.149 0.609 456 1HB MET 52 HB2 MET 52 21.356 -8.872 -1.822 457 2HB MET 52 HB1 MET 52 19.972 -7.956 -1.250 458 1HG MET 52 HG2 MET 52 21.353 -5.925 -1.229 459 2HG MET 52 HG1 MET 52 22.707 -6.861 -1.857 460 1HE MET 52 HE1 MET 52 22.967 -5.139 -3.864 461 2HE MET 52 HE2 MET 52 21.607 -4.197 -3.249 462 3HE MET 52 HE3 MET 52 21.647 -4.685 -4.943 463 H THR 53 HN THR 53 22.601 -10.450 0.865 464 HA THR 53 HA THR 53 25.160 -9.397 1.537 465 HB THR 53 HB THR 53 24.551 -12.302 1.027 466 HG1 THR 53 HG1 THR 53 22.924 -11.439 2.403 467 1HG2 THR 53 HG21 THR 53 26.888 -11.732 1.468 468 2HG2 THR 53 HG22 THR 53 26.204 -12.648 2.811 469 3HG2 THR 53 HG23 THR 53 26.412 -10.902 2.949 470 1H MET 1 HT1 MET 1 -6.494 -15.463 6.932 471 2H MET 1 HT2 MET 1 -5.091 -15.452 5.979 472 3H MET 1 HT3 MET 1 -6.572 -15.918 5.298 473 HA MET 1 HA MET 1 -5.832 -13.668 4.682 474 1HB MET 1 HB2 MET 1 -8.042 -12.587 5.150 475 2HB MET 1 HB1 MET 1 -8.148 -14.185 4.431 476 1HG MET 1 HG2 MET 1 -8.629 -15.134 6.643 477 2HG MET 1 HG1 MET 1 -8.564 -13.514 7.336 478 1HE MET 1 HE1 MET 1 -10.052 -14.513 3.822 479 2HE MET 1 HE2 MET 1 -11.725 -14.864 4.254 480 3HE MET 1 HE3 MET 1 -10.425 -15.897 4.851 481 H LYS 2 HN LYS 2 -4.172 -12.647 5.637 482 HA LYS 2 HA LYS 2 -4.611 -10.607 7.493 483 1HB LYS 2 HB2 LYS 2 -3.013 -11.616 9.299 484 2HB LYS 2 HB1 LYS 2 -4.718 -12.029 9.332 485 1HG LYS 2 HG2 LYS 2 -3.689 -14.061 9.688 486 2HG LYS 2 HG1 LYS 2 -4.023 -14.089 7.959 487 1HD LYS 2 HD2 LYS 2 -1.815 -14.938 8.340 488 2HD LYS 2 HD1 LYS 2 -1.692 -13.365 7.547 489 1HE LYS 2 HE2 LYS 2 -1.098 -12.296 9.577 490 2HE LYS 2 HE1 LYS 2 -1.500 -13.730 10.524 491 1HZ LYS 2 HZ1 LYS 2 0.940 -13.307 10.077 492 2HZ LYS 2 HZ2 LYS 2 0.634 -13.753 8.468 493 3HZ LYS 2 HZ3 LYS 2 0.365 -14.863 9.720 494 H SER 3 HN SER 3 -1.970 -10.495 8.620 495 HA SER 3 HA SER 3 -0.445 -9.343 6.621 496 1HB SER 3 HB2 SER 3 0.288 -10.672 9.217 497 2HB SER 3 HB1 SER 3 1.529 -9.985 8.175 498 HG SER 3 HG SER 3 -0.618 -8.675 9.482 499 H THR 4 HN THR 4 0.747 -10.036 5.052 500 HA THR 4 HA THR 4 1.221 -12.906 4.837 501 HB THR 4 HB THR 4 1.860 -12.262 2.440 502 HG1 THR 4 HG1 THR 4 1.952 -9.936 3.072 503 1HG2 THR 4 HG21 THR 4 -0.483 -12.206 1.731 504 2HG2 THR 4 HG22 THR 4 -0.975 -11.800 3.377 505 3HG2 THR 4 HG23 THR 4 -0.245 -13.369 3.038 506 H GLY 5 HN GLY 5 2.771 -9.822 5.165 507 1HA GLY 5 HA2 GLY 5 4.967 -9.178 5.328 508 2HA GLY 5 HA1 GLY 5 5.362 -10.872 5.647 509 H ILE 6 HN ILE 6 3.837 -9.336 2.885 510 HA ILE 6 HA ILE 6 5.636 -10.870 1.139 511 HB ILE 6 HB ILE 6 2.745 -10.688 1.335 512 1HG1 ILE 6 HG12 ILE 6 2.861 -12.697 -0.066 513 2HG1 ILE 6 HG11 ILE 6 4.544 -12.359 -0.454 514 1HG2 ILE 6 HG21 ILE 6 2.206 -10.517 -1.051 515 2HG2 ILE 6 HG22 ILE 6 3.889 -10.140 -1.417 516 3HG2 ILE 6 HG23 ILE 6 2.923 -9.022 -0.454 517 1HD1 ILE 6 HD11 ILE 6 4.334 -14.108 1.221 518 2HD1 ILE 6 HD12 ILE 6 3.467 -12.995 2.282 519 3HD1 ILE 6 HD13 ILE 6 5.156 -12.691 1.873 520 H VAL 7 HN VAL 7 6.849 -9.725 -0.294 521 HA VAL 7 HA VAL 7 6.418 -6.838 -0.229 522 HB VAL 7 HB VAL 7 8.628 -6.484 -0.766 523 1HG1 VAL 7 HG11 VAL 7 8.566 -7.426 1.413 524 2HG1 VAL 7 HG12 VAL 7 10.006 -8.035 0.596 525 3HG1 VAL 7 HG13 VAL 7 8.584 -9.067 0.766 526 1HG2 VAL 7 HG21 VAL 7 8.724 -9.238 -1.974 527 2HG2 VAL 7 HG22 VAL 7 10.155 -8.244 -1.695 528 3HG2 VAL 7 HG23 VAL 7 8.892 -7.679 -2.790 529 H ARG 8 HN ARG 8 6.138 -5.594 -2.028 530 HA ARG 8 HA ARG 8 5.945 -6.914 -4.653 531 1HB ARG 8 HB2 ARG 8 3.923 -5.015 -3.446 532 2HB ARG 8 HB1 ARG 8 3.935 -5.526 -5.130 533 1HG ARG 8 HG2 ARG 8 3.578 -7.322 -2.746 534 2HG ARG 8 HG1 ARG 8 2.314 -6.799 -3.864 535 1HD ARG 8 HD2 ARG 8 3.625 -7.838 -5.703 536 2HD ARG 8 HD1 ARG 8 4.721 -8.489 -4.493 537 HE ARG 8 HE ARG 8 2.207 -9.312 -3.735 538 1HH1 ARG 8 HH11 ARG 8 4.281 -9.722 -6.523 539 2HH1 ARG 8 HH12 ARG 8 3.629 -11.284 -6.941 540 1HH2 ARG 8 HH21 ARG 8 1.355 -11.380 -4.271 541 2HH2 ARG 8 HH22 ARG 8 1.979 -12.233 -5.649 542 H LYS 9 HN LYS 9 6.207 -5.462 -6.440 543 HA LYS 9 HA LYS 9 8.081 -3.325 -5.923 544 1HB LYS 9 HB2 LYS 9 6.722 -4.143 -8.505 545 2HB LYS 9 HB1 LYS 9 8.090 -3.053 -8.368 546 1HG LYS 9 HG2 LYS 9 8.230 -5.889 -7.422 547 2HG LYS 9 HG1 LYS 9 8.534 -5.446 -9.103 548 1HD LYS 9 HD2 LYS 9 10.654 -5.139 -8.465 549 2HD LYS 9 HD1 LYS 9 10.079 -3.650 -7.713 550 1HE LYS 9 HE2 LYS 9 11.409 -4.992 -6.159 551 2HE LYS 9 HE1 LYS 9 9.741 -4.824 -5.611 552 1HZ LYS 9 HZ1 LYS 9 10.825 -7.127 -5.498 553 2HZ LYS 9 HZ2 LYS 9 10.592 -7.182 -7.178 554 3HZ LYS 9 HZ3 LYS 9 9.264 -7.021 -6.142 555 H VAL 10 HN VAL 10 7.797 -1.142 -6.622 556 HA VAL 10 HA VAL 10 5.060 -0.192 -6.250 557 HB VAL 10 HB VAL 10 7.583 1.447 -6.585 558 1HG1 VAL 10 HG11 VAL 10 4.856 2.110 -5.487 559 2HG1 VAL 10 HG12 VAL 10 5.597 2.758 -6.949 560 3HG1 VAL 10 HG13 VAL 10 6.265 3.164 -5.369 561 1HG2 VAL 10 HG21 VAL 10 6.255 0.484 -4.052 562 2HG2 VAL 10 HG22 VAL 10 7.628 1.587 -4.146 563 3HG2 VAL 10 HG23 VAL 10 7.799 -0.080 -4.691 564 H ASP 11 HN ASP 11 6.577 -1.442 -8.708 565 HA ASP 11 HA ASP 11 5.841 -1.735 -10.818 566 1HB ASP 11 HB2 ASP 11 3.598 -1.130 -10.007 567 2HB ASP 11 HB1 ASP 11 3.970 0.570 -10.247 568 H GLU 12 HN GLU 12 5.014 1.535 -11.353 569 HA GLU 12 HA GLU 12 7.653 2.447 -12.056 570 1HB GLU 12 HB2 GLU 12 6.701 2.921 -14.476 571 2HB GLU 12 HB1 GLU 12 7.475 1.382 -14.095 572 1HG GLU 12 HG2 GLU 12 5.091 0.589 -13.548 573 2HG GLU 12 HG1 GLU 12 4.578 2.016 -14.446 574 H LEU 13 HN LEU 13 4.167 2.920 -12.459 575 HA LEU 13 HA LEU 13 4.493 5.788 -12.552 576 1HB LEU 13 HB2 LEU 13 2.136 3.946 -12.728 577 2HB LEU 13 HB1 LEU 13 1.901 5.665 -12.476 578 HG LEU 13 HG LEU 13 1.676 5.138 -14.830 579 1HD1 LEU 13 HD11 LEU 13 4.255 6.596 -14.270 580 2HD1 LEU 13 HD12 LEU 13 2.639 7.298 -14.246 581 3HD1 LEU 13 HD13 LEU 13 3.315 6.695 -15.758 582 1HD2 LEU 13 HD21 LEU 13 3.007 3.125 -14.970 583 2HD2 LEU 13 HD22 LEU 13 4.485 4.031 -14.630 584 3HD2 LEU 13 HD23 LEU 13 3.599 4.308 -16.134 585 H GLY 14 HN GLY 14 4.424 3.541 -10.115 586 1HA GLY 14 HA2 GLY 14 5.028 4.420 -7.932 587 2HA GLY 14 HA1 GLY 14 3.863 5.713 -8.191 588 H ARG 15 HN ARG 15 2.823 2.699 -9.267 589 HA ARG 15 HA ARG 15 1.061 2.513 -6.964 590 1HB ARG 15 HB2 ARG 15 -0.358 1.133 -8.490 591 2HB ARG 15 HB1 ARG 15 -0.116 2.795 -9.008 592 1HG ARG 15 HG2 ARG 15 1.903 1.615 -10.325 593 2HG ARG 15 HG1 ARG 15 0.754 0.270 -10.243 594 1HD ARG 15 HD2 ARG 15 -0.938 1.555 -11.320 595 2HD ARG 15 HD1 ARG 15 0.035 3.023 -11.216 596 HE ARG 15 HE ARG 15 1.629 1.397 -12.655 597 1HH1 ARG 15 HH11 ARG 15 -1.812 2.041 -12.982 598 2HH1 ARG 15 HH12 ARG 15 -1.791 1.936 -14.712 599 1HH2 ARG 15 HH21 ARG 15 1.646 1.251 -14.935 600 2HH2 ARG 15 HH22 ARG 15 0.177 1.483 -15.823 601 H VAL 16 HN VAL 16 1.413 0.969 -5.494 602 HA VAL 16 HA VAL 16 3.244 -1.202 -6.103 603 HB VAL 16 HB VAL 16 3.164 -0.023 -3.835 604 1HG1 VAL 16 HG11 VAL 16 0.729 -1.725 -3.466 605 2HG1 VAL 16 HG12 VAL 16 0.788 0.037 -3.488 606 3HG1 VAL 16 HG13 VAL 16 1.579 -0.855 -2.186 607 1HG2 VAL 16 HG21 VAL 16 3.677 -2.052 -2.594 608 2HG2 VAL 16 HG22 VAL 16 4.383 -2.098 -4.211 609 3HG2 VAL 16 HG23 VAL 16 2.919 -3.016 -3.862 610 H VAL 17 HN VAL 17 2.607 -3.183 -6.770 611 HA VAL 17 HA VAL 17 -0.198 -3.557 -7.264 612 HB VAL 17 HB VAL 17 1.940 -5.642 -7.634 613 1HG1 VAL 17 HG11 VAL 17 -0.744 -5.233 -8.926 614 2HG1 VAL 17 HG12 VAL 17 -0.319 -6.484 -7.755 615 3HG1 VAL 17 HG13 VAL 17 0.416 -6.491 -9.360 616 1HG2 VAL 17 HG21 VAL 17 2.626 -3.602 -8.787 617 2HG2 VAL 17 HG22 VAL 17 1.064 -3.542 -9.607 618 3HG2 VAL 17 HG23 VAL 17 2.182 -4.869 -9.931 619 H ILE 18 HN ILE 18 -1.055 -3.529 -5.209 620 HA ILE 18 HA ILE 18 -0.255 -5.308 -3.195 621 HB ILE 18 HB ILE 18 -1.405 -3.569 -2.310 622 1HG1 ILE 18 HG12 ILE 18 -3.642 -5.577 -2.536 623 2HG1 ILE 18 HG11 ILE 18 -2.252 -5.776 -1.470 624 1HG2 ILE 18 HG21 ILE 18 -3.535 -3.870 -4.405 625 2HG2 ILE 18 HG22 ILE 18 -2.308 -2.604 -4.319 626 3HG2 ILE 18 HG23 ILE 18 -3.570 -2.698 -3.088 627 1HD1 ILE 18 HD11 ILE 18 -2.882 -3.791 -0.237 628 2HD1 ILE 18 HD12 ILE 18 -4.225 -4.936 -0.301 629 3HD1 ILE 18 HD13 ILE 18 -4.229 -3.515 -1.344 630 HA PRO 19 HA PRO 19 -1.597 -8.976 -5.199 631 1HB PRO 19 HB2 PRO 19 -1.819 -10.027 -2.430 632 2HB PRO 19 HB1 PRO 19 -0.937 -10.677 -3.816 633 1HG PRO 19 HG2 PRO 19 0.368 -9.447 -1.851 634 2HG PRO 19 HG1 PRO 19 0.844 -9.205 -3.543 635 1HD PRO 19 HD2 PRO 19 -0.701 -7.401 -1.729 636 2HD PRO 19 HD1 PRO 19 0.522 -6.995 -2.952 637 H ILE 20 HN ILE 20 -3.455 -10.110 -5.663 638 HA ILE 20 HA ILE 20 -5.919 -8.925 -5.030 639 HB ILE 20 HB ILE 20 -7.009 -10.767 -6.117 640 1HG1 ILE 20 HG12 ILE 20 -5.242 -12.625 -6.970 641 2HG1 ILE 20 HG11 ILE 20 -4.527 -12.235 -5.408 642 1HG2 ILE 20 HG21 ILE 20 -5.760 -9.127 -7.462 643 2HG2 ILE 20 HG22 ILE 20 -5.935 -10.692 -8.257 644 3HG2 ILE 20 HG23 ILE 20 -4.397 -10.246 -7.515 645 1HD1 ILE 20 HD11 ILE 20 -6.526 -12.860 -4.261 646 2HD1 ILE 20 HD12 ILE 20 -6.070 -14.167 -5.358 647 3HD1 ILE 20 HD13 ILE 20 -7.389 -13.075 -5.786 648 H GLU 21 HN GLU 21 -4.079 -11.408 -3.550 649 HA GLU 21 HA GLU 21 -6.052 -12.687 -2.012 650 1HB GLU 21 HB2 GLU 21 -3.350 -12.555 -0.865 651 2HB GLU 21 HB1 GLU 21 -4.315 -13.956 -1.318 652 1HG GLU 21 HG2 GLU 21 -3.683 -13.713 -3.630 653 2HG GLU 21 HG1 GLU 21 -2.826 -12.216 -3.274 654 H LEU 22 HN LEU 22 -3.852 -10.017 -1.383 655 HA LEU 22 HA LEU 22 -4.675 -9.733 1.313 656 1HB LEU 22 HB2 LEU 22 -3.034 -8.062 -0.543 657 2HB LEU 22 HB1 LEU 22 -3.476 -7.478 1.055 658 HG LEU 22 HG LEU 22 -2.492 -9.708 1.894 659 1HD1 LEU 22 HD11 LEU 22 -2.258 -10.788 -0.260 660 2HD1 LEU 22 HD12 LEU 22 -0.691 -10.609 0.531 661 3HD1 LEU 22 HD13 LEU 22 -1.144 -9.523 -0.786 662 1HD2 LEU 22 HD21 LEU 22 -0.246 -8.714 1.998 663 2HD2 LEU 22 HD22 LEU 22 -1.513 -7.544 2.371 664 3HD2 LEU 22 HD23 LEU 22 -0.733 -7.525 0.788 665 H ARG 23 HN ARG 23 -5.507 -8.065 -1.730 666 HA ARG 23 HA ARG 23 -7.246 -6.211 -0.432 667 1HB ARG 23 HB2 ARG 23 -7.941 -5.549 -2.621 668 2HB ARG 23 HB1 ARG 23 -6.224 -5.889 -2.719 669 1HG ARG 23 HG2 ARG 23 -6.966 -6.875 -4.629 670 2HG ARG 23 HG1 ARG 23 -7.058 -8.240 -3.507 671 1HD ARG 23 HD2 ARG 23 -9.418 -7.868 -3.184 672 2HD ARG 23 HD1 ARG 23 -9.356 -6.396 -4.145 673 HE ARG 23 HE ARG 23 -8.496 -8.363 -5.837 674 1HH1 ARG 23 HH11 ARG 23 -11.366 -7.774 -3.920 675 2HH1 ARG 23 HH12 ARG 23 -12.419 -8.646 -4.992 676 1HH2 ARG 23 HH21 ARG 23 -9.880 -9.489 -7.268 677 2HH2 ARG 23 HH22 ARG 23 -11.572 -9.638 -6.878 678 H ARG 24 HN ARG 24 -7.431 -9.457 -1.358 679 HA ARG 24 HA ARG 24 -10.258 -9.842 -1.232 680 1HB ARG 24 HB2 ARG 24 -8.917 -11.440 -2.399 681 2HB ARG 24 HB1 ARG 24 -7.846 -11.644 -1.018 682 1HG ARG 24 HG2 ARG 24 -10.404 -12.286 -0.116 683 2HG ARG 24 HG1 ARG 24 -10.233 -13.059 -1.697 684 1HD ARG 24 HD2 ARG 24 -8.089 -14.021 -0.993 685 2HD ARG 24 HD1 ARG 24 -8.284 -13.279 0.598 686 HE ARG 24 HE ARG 24 -10.551 -14.785 0.247 687 1HH1 ARG 24 HH11 ARG 24 -7.092 -15.411 0.283 688 2HH1 ARG 24 HH12 ARG 24 -7.270 -17.066 0.793 689 1HH2 ARG 24 HH21 ARG 24 -10.776 -16.948 0.942 690 2HH2 ARG 24 HH22 ARG 24 -9.366 -17.943 1.144 691 H THR 25 HN THR 25 -7.580 -9.722 0.953 692 HA THR 25 HA THR 25 -8.905 -10.848 3.199 693 HB THR 25 HB THR 25 -6.433 -9.125 3.024 694 HG1 THR 25 HG1 THR 25 -6.531 -11.335 2.034 695 1HG2 THR 25 HG21 THR 25 -7.538 -10.719 5.339 696 2HG2 THR 25 HG22 THR 25 -7.329 -8.966 5.258 697 3HG2 THR 25 HG23 THR 25 -5.917 -10.024 5.281 698 H LEU 26 HN LEU 26 -8.393 -7.563 2.007 699 HA LEU 26 HA LEU 26 -9.655 -6.416 4.344 700 1HB LEU 26 HB2 LEU 26 -9.045 -4.980 1.777 701 2HB LEU 26 HB1 LEU 26 -9.326 -4.284 3.353 702 HG LEU 26 HG LEU 26 -7.117 -4.084 3.444 703 1HD1 LEU 26 HD11 LEU 26 -7.121 -7.067 3.805 704 2HD1 LEU 26 HD12 LEU 26 -7.416 -5.866 5.063 705 3HD1 LEU 26 HD13 LEU 26 -5.834 -5.958 4.287 706 1HD2 LEU 26 HD21 LEU 26 -6.893 -4.481 1.081 707 2HD2 LEU 26 HD22 LEU 26 -6.854 -6.221 1.362 708 3HD2 LEU 26 HD23 LEU 26 -5.549 -5.201 1.966 709 H GLY 27 HN GLY 27 -10.645 -7.657 1.339 710 1HA GLY 27 HA2 GLY 27 -12.788 -7.935 0.516 711 2HA GLY 27 HA1 GLY 27 -13.393 -6.948 1.837 712 H ILE 28 HN ILE 28 -10.814 -5.784 -0.134 713 HA ILE 28 HA ILE 28 -12.590 -3.743 -1.264 714 HB ILE 28 HB ILE 28 -10.583 -2.464 -1.743 715 1HG1 ILE 28 HG12 ILE 28 -9.002 -4.744 -0.557 716 2HG1 ILE 28 HG11 ILE 28 -9.173 -4.432 -2.286 717 1HG2 ILE 28 HG21 ILE 28 -10.523 -3.578 1.056 718 2HG2 ILE 28 HG22 ILE 28 -11.530 -2.248 0.485 719 3HG2 ILE 28 HG23 ILE 28 -9.777 -2.068 0.531 720 1HD1 ILE 28 HD11 ILE 28 -7.884 -2.639 -0.252 721 2HD1 ILE 28 HD12 ILE 28 -8.165 -2.217 -1.940 722 3HD1 ILE 28 HD13 ILE 28 -7.084 -3.551 -1.534 723 H ALA 29 HN ALA 29 -10.811 -3.066 -3.385 724 HA ALA 29 HA ALA 29 -10.429 -5.261 -5.147 725 1HB ALA 29 HB1 ALA 29 -12.794 -3.468 -5.704 726 2HB ALA 29 HB2 ALA 29 -12.880 -5.169 -5.240 727 3HB ALA 29 HB3 ALA 29 -12.160 -4.712 -6.784 728 H GLU 30 HN GLU 30 -10.255 -4.226 -7.511 729 HA GLU 30 HA GLU 30 -8.070 -2.420 -7.311 730 1HB GLU 30 HB2 GLU 30 -7.972 -2.605 -9.735 731 2HB GLU 30 HB1 GLU 30 -8.354 -4.192 -9.077 732 1HG GLU 30 HG2 GLU 30 -10.750 -3.763 -9.522 733 2HG GLU 30 HG1 GLU 30 -10.302 -2.236 -10.277 734 H LYS 31 HN LYS 31 -11.430 -2.057 -8.058 735 HA LYS 31 HA LYS 31 -11.135 0.679 -8.909 736 1HB LYS 31 HB2 LYS 31 -13.649 -0.893 -8.359 737 2HB LYS 31 HB1 LYS 31 -13.516 0.622 -9.240 738 1HG LYS 31 HG2 LYS 31 -12.043 -1.787 -10.186 739 2HG LYS 31 HG1 LYS 31 -13.762 -1.596 -10.551 740 1HD LYS 31 HD2 LYS 31 -12.729 -0.651 -12.407 741 2HD LYS 31 HD1 LYS 31 -13.061 0.753 -11.391 742 1HE LYS 31 HE2 LYS 31 -10.897 1.237 -11.722 743 2HE LYS 31 HE1 LYS 31 -10.616 0.007 -10.488 744 1HZ LYS 31 HZ1 LYS 31 -10.606 -0.467 -13.423 745 2HZ LYS 31 HZ2 LYS 31 -10.308 -1.637 -12.232 746 3HZ LYS 31 HZ3 LYS 31 -9.237 -0.341 -12.436 747 H ASP 32 HN ASP 32 -10.930 -0.811 -6.058 748 HA ASP 32 HA ASP 32 -12.541 1.033 -4.552 749 1HB ASP 32 HB2 ASP 32 -11.068 -1.446 -3.914 750 2HB ASP 32 HB1 ASP 32 -11.287 -0.278 -2.610 751 H ALA 33 HN ALA 33 -11.640 2.225 -2.754 752 HA ALA 33 HA ALA 33 -8.977 3.282 -3.437 753 1HB ALA 33 HB1 ALA 33 -11.181 4.625 -1.855 754 2HB ALA 33 HB2 ALA 33 -10.823 4.926 -3.556 755 3HB ALA 33 HB3 ALA 33 -9.634 5.343 -2.317 756 H LEU 34 HN LEU 34 -7.613 3.813 -1.654 757 HA LEU 34 HA LEU 34 -8.218 2.388 0.849 758 1HB LEU 34 HB2 LEU 34 -5.647 2.354 -0.745 759 2HB LEU 34 HB1 LEU 34 -5.778 1.792 0.910 760 HG LEU 34 HG LEU 34 -7.339 0.621 -1.398 761 1HD1 LEU 34 HD11 LEU 34 -4.967 0.202 -1.710 762 2HD1 LEU 34 HD12 LEU 34 -5.770 -1.279 -1.185 763 3HD1 LEU 34 HD13 LEU 34 -4.813 -0.338 -0.035 764 1HD2 LEU 34 HD21 LEU 34 -6.893 -0.336 1.431 765 2HD2 LEU 34 HD22 LEU 34 -7.817 -1.170 0.182 766 3HD2 LEU 34 HD23 LEU 34 -8.380 0.380 0.810 767 H GLU 35 HN GLU 35 -7.769 3.599 2.599 768 HA GLU 35 HA GLU 35 -6.855 6.307 2.126 769 1HB GLU 35 HB2 GLU 35 -8.955 5.646 3.466 770 2HB GLU 35 HB1 GLU 35 -7.825 5.183 4.738 771 1HG GLU 35 HG2 GLU 35 -6.923 7.438 4.766 772 2HG GLU 35 HG1 GLU 35 -8.026 7.896 3.472 773 H ILE 36 HN ILE 36 -4.744 6.354 2.019 774 HA ILE 36 HA ILE 36 -3.183 4.489 3.612 775 HB ILE 36 HB ILE 36 -2.350 6.463 1.508 776 1HG1 ILE 36 HG12 ILE 36 -1.859 3.839 0.668 777 2HG1 ILE 36 HG11 ILE 36 -3.466 3.804 1.394 778 1HG2 ILE 36 HG21 ILE 36 -0.719 4.233 2.705 779 2HG2 ILE 36 HG22 ILE 36 -0.595 5.916 3.207 780 3HG2 ILE 36 HG23 ILE 36 -0.177 5.455 1.552 781 1HD1 ILE 36 HD11 ILE 36 -3.582 4.239 -0.991 782 2HD1 ILE 36 HD12 ILE 36 -2.556 5.661 -0.792 783 3HD1 ILE 36 HD13 ILE 36 -4.164 5.625 -0.066 784 H TYR 37 HN TYR 37 -1.898 4.921 5.194 785 HA TYR 37 HA TYR 37 -1.429 7.698 6.087 786 1HB TYR 37 HB2 TYR 37 -1.781 5.327 7.939 787 2HB TYR 37 HB1 TYR 37 -1.631 7.027 8.369 788 HD1 TYR 37 HD1 TYR 37 -3.901 4.403 7.239 789 HD2 TYR 37 HD2 TYR 37 -3.519 8.534 8.173 790 HE1 TYR 37 HE1 TYR 37 -6.348 4.585 7.404 791 HE2 TYR 37 HE2 TYR 37 -5.962 8.731 8.336 792 HH TYR 37 HH TYR 37 -7.969 7.551 7.474 793 H VAL 38 HN VAL 38 0.408 7.453 7.901 794 HA VAL 38 HA VAL 38 2.283 5.317 7.275 795 HB VAL 38 HB VAL 38 2.927 8.232 6.890 796 1HG1 VAL 38 HG11 VAL 38 4.796 6.007 7.584 797 2HG1 VAL 38 HG12 VAL 38 4.704 7.635 8.263 798 3HG1 VAL 38 HG13 VAL 38 5.333 7.394 6.633 799 1HG2 VAL 38 HG21 VAL 38 3.431 5.792 5.208 800 2HG2 VAL 38 HG22 VAL 38 3.941 7.431 4.801 801 3HG2 VAL 38 HG23 VAL 38 2.224 7.044 4.907 802 H ASP 39 HN ASP 39 3.362 4.637 8.961 803 HA ASP 39 HA ASP 39 3.065 6.034 11.523 804 1HB ASP 39 HB2 ASP 39 2.299 3.799 11.745 805 2HB ASP 39 HB1 ASP 39 3.630 3.163 10.789 806 H ASP 40 HN ASP 40 4.638 7.503 11.513 807 HA ASP 40 HA ASP 40 6.676 8.439 11.707 808 1HB ASP 40 HB2 ASP 40 7.036 6.440 13.248 809 2HB ASP 40 HB1 ASP 40 7.869 5.680 11.889 810 H GLU 41 HN GLU 41 7.291 5.424 9.961 811 HA GLU 41 HA GLU 41 8.103 6.883 7.589 812 1HB GLU 41 HB2 GLU 41 10.287 5.601 7.556 813 2HB GLU 41 HB1 GLU 41 10.176 6.890 8.748 814 1HG GLU 41 HG2 GLU 41 9.811 5.334 10.516 815 2HG GLU 41 HG1 GLU 41 9.636 4.002 9.372 816 H LYS 42 HN LYS 42 6.144 4.656 8.629 817 HA LYS 42 HA LYS 42 6.628 3.001 6.272 818 1HB LYS 42 HB2 LYS 42 6.069 0.990 7.365 819 2HB LYS 42 HB1 LYS 42 7.127 1.823 8.493 820 1HG LYS 42 HG2 LYS 42 5.226 2.547 9.800 821 2HG LYS 42 HG1 LYS 42 4.120 1.813 8.639 822 1HD LYS 42 HD2 LYS 42 5.218 -0.389 9.132 823 2HD LYS 42 HD1 LYS 42 6.093 0.416 10.438 824 1HE LYS 42 HE2 LYS 42 3.895 1.078 11.410 825 2HE LYS 42 HE1 LYS 42 3.101 0.106 10.169 826 1HZ LYS 42 HZ1 LYS 42 4.285 -1.841 11.017 827 2HZ LYS 42 HZ2 LYS 42 3.301 -1.138 12.204 828 3HZ LYS 42 HZ3 LYS 42 4.978 -0.894 12.241 829 H ILE 43 HN ILE 43 4.732 1.881 5.447 830 HA ILE 43 HA ILE 43 2.689 3.946 5.171 831 HB ILE 43 HB ILE 43 3.036 1.457 3.514 832 1HG1 ILE 43 HG12 ILE 43 4.266 4.120 2.848 833 2HG1 ILE 43 HG11 ILE 43 5.149 2.911 3.775 834 1HG2 ILE 43 HG21 ILE 43 2.007 4.154 2.699 835 2HG2 ILE 43 HG22 ILE 43 0.969 2.888 3.358 836 3HG2 ILE 43 HG23 ILE 43 1.850 2.611 1.852 837 1HD1 ILE 43 HD11 ILE 43 4.059 2.594 0.992 838 2HD1 ILE 43 HD12 ILE 43 4.861 1.327 1.918 839 3HD1 ILE 43 HD13 ILE 43 5.752 2.778 1.452 840 H ILE 44 HN ILE 44 0.533 3.618 5.557 841 HA ILE 44 HA ILE 44 -0.312 0.947 6.499 842 HB ILE 44 HB ILE 44 -1.888 3.104 7.664 843 1HG1 ILE 44 HG12 ILE 44 0.366 4.211 7.665 844 2HG1 ILE 44 HG11 ILE 44 -0.333 3.979 9.260 845 1HG2 ILE 44 HG21 ILE 44 -0.364 0.850 8.955 846 2HG2 ILE 44 HG22 ILE 44 -1.985 0.719 8.274 847 3HG2 ILE 44 HG23 ILE 44 -1.694 1.769 9.661 848 1HD1 ILE 44 HD11 ILE 44 1.196 2.301 9.803 849 2HD1 ILE 44 HD12 ILE 44 2.149 3.521 8.938 850 3HD1 ILE 44 HD13 ILE 44 1.642 2.046 8.115 851 H LEU 45 HN LEU 45 -1.579 0.277 4.826 852 HA LEU 45 HA LEU 45 -3.335 2.227 3.544 853 1HB LEU 45 HB2 LEU 45 -2.367 -0.511 2.830 854 2HB LEU 45 HB1 LEU 45 -3.907 0.028 2.174 855 HG LEU 45 HG LEU 45 -2.771 1.977 1.159 856 1HD1 LEU 45 HD11 LEU 45 -0.336 2.017 1.037 857 2HD1 LEU 45 HD12 LEU 45 -0.254 0.631 2.125 858 3HD1 LEU 45 HD13 LEU 45 -0.898 2.169 2.702 859 1HD2 LEU 45 HD21 LEU 45 -1.640 -0.726 0.445 860 2HD2 LEU 45 HD22 LEU 45 -1.596 0.703 -0.586 861 3HD2 LEU 45 HD23 LEU 45 -3.144 -0.024 -0.152 862 H LYS 46 HN LYS 46 -5.110 2.578 4.668 863 HA LYS 46 HA LYS 46 -6.653 0.300 5.715 864 1HB LYS 46 HB2 LYS 46 -6.327 2.409 7.082 865 2HB LYS 46 HB1 LYS 46 -7.242 3.269 5.859 866 1HG LYS 46 HG2 LYS 46 -9.119 1.620 6.336 867 2HG LYS 46 HG1 LYS 46 -8.199 1.182 7.780 868 1HD LYS 46 HD2 LYS 46 -9.736 2.854 8.458 869 2HD LYS 46 HD1 LYS 46 -8.161 3.648 8.335 870 1HE LYS 46 HE2 LYS 46 -8.785 4.382 6.042 871 2HE LYS 46 HE1 LYS 46 -10.394 3.722 6.311 872 1HZ LYS 46 HZ1 LYS 46 -10.712 5.275 8.122 873 2HZ LYS 46 HZ2 LYS 46 -10.283 6.120 6.707 874 3HZ LYS 46 HZ3 LYS 46 -9.134 5.872 7.931 875 H LYS 47 HN LYS 47 -8.853 0.062 4.981 876 HA LYS 47 HA LYS 47 -9.176 0.626 2.179 877 1HB LYS 47 HB2 LYS 47 -11.263 -0.564 2.362 878 2HB LYS 47 HB1 LYS 47 -10.076 -1.421 3.341 879 1HG LYS 47 HG2 LYS 47 -10.985 -0.294 5.346 880 2HG LYS 47 HG1 LYS 47 -12.235 0.426 4.330 881 1HD LYS 47 HD2 LYS 47 -13.272 -1.442 5.239 882 2HD LYS 47 HD1 LYS 47 -12.766 -1.983 3.637 883 1HE LYS 47 HE2 LYS 47 -10.814 -3.064 4.588 884 2HE LYS 47 HE1 LYS 47 -11.230 -2.460 6.189 885 1HZ LYS 47 HZ1 LYS 47 -12.491 -4.605 4.628 886 2HZ LYS 47 HZ2 LYS 47 -13.438 -3.736 5.727 887 3HZ LYS 47 HZ3 LYS 47 -12.071 -4.574 6.274 888 H TYR 48 HN TYR 48 -10.440 2.211 1.238 889 HA TYR 48 HA TYR 48 -10.927 4.529 2.766 890 1HB TYR 48 HB2 TYR 48 -10.502 4.820 0.440 891 2HB TYR 48 HB1 TYR 48 -11.802 3.721 -0.004 892 HD1 TYR 48 HD1 TYR 48 -11.384 6.881 1.973 893 HD2 TYR 48 HD2 TYR 48 -13.698 4.704 -0.857 894 HE1 TYR 48 HE1 TYR 48 -12.919 8.791 1.765 895 HE2 TYR 48 HE2 TYR 48 -15.235 6.607 -1.072 896 HH TYR 48 HH TYR 48 -14.535 9.706 0.273 897 H LYS 49 HN LYS 49 -12.712 5.306 3.717 898 HA LYS 49 HA LYS 49 -14.712 3.447 4.490 899 1HB LYS 49 HB2 LYS 49 -13.888 5.434 5.833 900 2HB LYS 49 HB1 LYS 49 -14.844 6.446 4.758 901 1HG LYS 49 HG2 LYS 49 -16.027 6.000 6.833 902 2HG LYS 49 HG1 LYS 49 -16.878 5.304 5.451 903 1HD LYS 49 HD2 LYS 49 -16.902 3.720 7.260 904 2HD LYS 49 HD1 LYS 49 -15.831 3.113 5.994 905 1HE LYS 49 HE2 LYS 49 -13.897 3.974 7.243 906 2HE LYS 49 HE1 LYS 49 -14.984 4.537 8.513 907 1HZ LYS 49 HZ1 LYS 49 -15.662 2.247 8.901 908 2HZ LYS 49 HZ2 LYS 49 -13.986 2.409 9.081 909 3HZ LYS 49 HZ3 LYS 49 -14.619 1.704 7.679 910 HA PRO 50 HA PRO 50 -17.023 4.154 0.763 911 1HB PRO 50 HB2 PRO 50 -18.592 2.032 0.910 912 2HB PRO 50 HB1 PRO 50 -16.860 1.844 0.633 913 1HG PRO 50 HG2 PRO 50 -18.420 1.516 3.167 914 2HG PRO 50 HG1 PRO 50 -17.118 0.502 2.516 915 1HD PRO 50 HD2 PRO 50 -16.763 2.443 4.441 916 2HD PRO 50 HD1 PRO 50 -15.493 1.852 3.360 917 H ASN 51 HN ASN 51 -17.753 5.251 3.529 918 HA ASN 51 HA ASN 51 -20.610 5.141 3.626 919 1HB ASN 51 HB2 ASN 51 -19.334 5.387 5.672 920 2HB ASN 51 HB1 ASN 51 -18.640 6.894 5.093 921 1HD2 ASN 51 HD21 ASN 51 -21.992 5.895 4.694 922 2HD2 ASN 51 HD22 ASN 51 -22.664 7.119 5.716 923 H MET 52 HN MET 52 -21.533 5.980 1.852 924 HA MET 52 HA MET 52 -20.968 8.811 1.302 925 1HB MET 52 HB2 MET 52 -21.577 8.371 -1.076 926 2HB MET 52 HB1 MET 52 -20.100 7.574 -0.565 927 1HG MET 52 HG2 MET 52 -21.331 5.471 -0.317 928 2HG MET 52 HG1 MET 52 -22.802 6.280 -0.860 929 1HE MET 52 HE1 MET 52 -23.121 4.426 -2.754 930 2HE MET 52 HE2 MET 52 -21.653 3.620 -2.201 931 3HE MET 52 HE3 MET 52 -21.863 3.992 -3.912 932 H THR 53 HN THR 53 -22.598 9.941 2.015 933 HA THR 53 HA THR 53 -25.246 8.769 2.140 934 HB THR 53 HB THR 53 -25.798 10.916 3.343 935 HG1 THR 53 HG1 THR 53 -24.305 12.409 3.287 936 1HG2 THR 53 HG21 THR 53 -24.725 10.183 5.431 937 2HG2 THR 53 HG22 THR 53 -23.650 9.136 4.503 938 3HG2 THR 53 HG23 THR 53 -25.386 8.824 4.524 Start of MODEL 7 1 1H MET 1 HT1 MET 1 7.607 15.805 5.837 2 2H MET 1 HT2 MET 1 8.144 14.198 5.791 3 3H MET 1 HT3 MET 1 7.854 14.957 7.279 4 HA MET 1 HA MET 1 5.529 15.062 6.875 5 1HB MET 1 HB2 MET 1 6.170 13.736 4.229 6 2HB MET 1 HB1 MET 1 4.558 14.083 4.839 7 1HG MET 1 HG2 MET 1 6.666 16.083 4.071 8 2HG MET 1 HG1 MET 1 5.170 15.730 3.207 9 1HE MET 1 HE1 MET 1 4.696 18.381 3.185 10 2HE MET 1 HE2 MET 1 6.167 18.674 4.113 11 3HE MET 1 HE3 MET 1 4.635 19.366 4.646 12 H LYS 2 HN LYS 2 4.049 13.020 6.640 13 HA LYS 2 HA LYS 2 5.332 10.469 6.881 14 1HB LYS 2 HB2 LYS 2 4.405 9.997 9.170 15 2HB LYS 2 HB1 LYS 2 5.721 11.162 9.152 16 1HG LYS 2 HG2 LYS 2 4.280 12.965 9.577 17 2HG LYS 2 HG1 LYS 2 2.851 12.024 9.147 18 1HD LYS 2 HD2 LYS 2 4.598 11.586 11.565 19 2HD LYS 2 HD1 LYS 2 2.987 12.316 11.549 20 1HE LYS 2 HE2 LYS 2 2.134 10.183 10.542 21 2HE LYS 2 HE1 LYS 2 3.724 9.482 10.845 22 1HZ LYS 2 HZ1 LYS 2 3.437 9.775 13.178 23 2HZ LYS 2 HZ2 LYS 2 2.054 8.999 12.586 24 3HZ LYS 2 HZ3 LYS 2 2.004 10.652 12.963 25 H SER 3 HN SER 3 2.659 10.129 8.705 26 HA SER 3 HA SER 3 0.927 9.063 6.811 27 1HB SER 3 HB2 SER 3 -0.756 9.266 8.584 28 2HB SER 3 HB1 SER 3 0.792 8.764 9.275 29 HG SER 3 HG SER 3 0.039 11.486 9.167 30 H THR 4 HN THR 4 -0.311 9.900 5.351 31 HA THR 4 HA THR 4 -0.677 12.787 5.364 32 HB THR 4 HB THR 4 -1.531 12.338 3.005 33 HG1 THR 4 HG1 THR 4 -1.887 10.093 3.257 34 1HG2 THR 4 HG21 THR 4 1.322 11.570 3.622 35 2HG2 THR 4 HG22 THR 4 0.716 13.222 3.512 36 3HG2 THR 4 HG23 THR 4 0.715 12.185 2.084 37 H GLY 5 HN GLY 5 -2.387 9.747 5.438 38 1HA GLY 5 HA2 GLY 5 -4.591 9.252 5.878 39 2HA GLY 5 HA1 GLY 5 -4.861 10.962 6.233 40 H ILE 6 HN ILE 6 -3.815 9.100 3.432 41 HA ILE 6 HA ILE 6 -5.550 10.773 1.743 42 HB ILE 6 HB ILE 6 -2.642 10.463 1.780 43 1HG1 ILE 6 HG12 ILE 6 -2.779 12.493 0.337 44 2HG1 ILE 6 HG11 ILE 6 -4.524 12.292 0.252 45 1HG2 ILE 6 HG21 ILE 6 -3.004 8.869 -0.030 46 2HG2 ILE 6 HG22 ILE 6 -2.298 10.358 -0.658 47 3HG2 ILE 6 HG23 ILE 6 -4.016 10.033 -0.889 48 1HD1 ILE 6 HD11 ILE 6 -3.888 13.996 1.861 49 2HD1 ILE 6 HD12 ILE 6 -2.937 12.809 2.754 50 3HD1 ILE 6 HD13 ILE 6 -4.690 12.639 2.650 51 H VAL 7 HN VAL 7 -6.906 9.592 0.465 52 HA VAL 7 HA VAL 7 -6.391 6.719 0.368 53 HB VAL 7 HB VAL 7 -8.614 6.306 -0.043 54 1HG1 VAL 7 HG11 VAL 7 -9.947 7.743 1.504 55 2HG1 VAL 7 HG12 VAL 7 -8.516 8.761 1.678 56 3HG1 VAL 7 HG13 VAL 7 -8.465 7.067 2.181 57 1HG2 VAL 7 HG21 VAL 7 -9.179 7.529 -1.929 58 2HG2 VAL 7 HG22 VAL 7 -8.813 9.077 -1.157 59 3HG2 VAL 7 HG23 VAL 7 -10.252 8.172 -0.683 60 H ARG 8 HN ARG 8 -6.282 5.550 -1.530 61 HA ARG 8 HA ARG 8 -6.296 7.030 -4.073 62 1HB ARG 8 HB2 ARG 8 -4.154 5.080 -3.198 63 2HB ARG 8 HB1 ARG 8 -4.293 5.783 -4.803 64 1HG ARG 8 HG2 ARG 8 -3.845 7.361 -2.284 65 2HG ARG 8 HG1 ARG 8 -2.577 6.860 -3.408 66 1HD ARG 8 HD2 ARG 8 -3.825 8.066 -5.206 67 2HD ARG 8 HD1 ARG 8 -4.898 8.700 -3.960 68 HE ARG 8 HE ARG 8 -2.300 9.276 -3.177 69 1HH1 ARG 8 HH11 ARG 8 -4.524 10.169 -5.726 70 2HH1 ARG 8 HH12 ARG 8 -3.751 11.701 -6.031 71 1HH2 ARG 8 HH21 ARG 8 -1.308 11.299 -3.544 72 2HH2 ARG 8 HH22 ARG 8 -1.928 12.354 -4.770 73 H LYS 9 HN LYS 9 -6.653 5.708 -5.931 74 HA LYS 9 HA LYS 9 -8.348 3.427 -5.452 75 1HB LYS 9 HB2 LYS 9 -7.203 4.588 -8.009 76 2HB LYS 9 HB1 LYS 9 -8.403 3.305 -7.944 77 1HG LYS 9 HG2 LYS 9 -8.908 5.945 -6.646 78 2HG LYS 9 HG1 LYS 9 -9.170 5.714 -8.379 79 1HD LYS 9 HD2 LYS 9 -11.202 4.961 -7.840 80 2HD LYS 9 HD1 LYS 9 -10.394 3.514 -7.236 81 1HE LYS 9 HE2 LYS 9 -11.869 4.334 -5.536 82 2HE LYS 9 HE1 LYS 9 -10.204 4.612 -5.023 83 1HZ LYS 9 HZ1 LYS 9 -11.833 6.696 -6.363 84 2HZ LYS 9 HZ2 LYS 9 -10.384 6.899 -5.502 85 3HZ LYS 9 HZ3 LYS 9 -11.812 6.504 -4.679 86 H VAL 10 HN VAL 10 -7.985 1.321 -6.257 87 HA VAL 10 HA VAL 10 -5.190 0.492 -5.987 88 HB VAL 10 HB VAL 10 -7.672 -1.241 -6.078 89 1HG1 VAL 10 HG11 VAL 10 -5.646 -2.494 -6.492 90 2HG1 VAL 10 HG12 VAL 10 -6.272 -2.875 -4.888 91 3HG1 VAL 10 HG13 VAL 10 -4.887 -1.797 -5.060 92 1HG2 VAL 10 HG21 VAL 10 -6.255 -0.092 -3.676 93 2HG2 VAL 10 HG22 VAL 10 -7.586 -1.249 -3.634 94 3HG2 VAL 10 HG23 VAL 10 -7.850 0.378 -4.266 95 H ASP 11 HN ASP 11 -6.780 1.580 -8.462 96 HA ASP 11 HA ASP 11 -6.500 1.492 -10.701 97 1HB ASP 11 HB2 ASP 11 -4.093 0.984 -9.957 98 2HB ASP 11 HB1 ASP 11 -4.470 -0.705 -10.263 99 H GLU 12 HN GLU 12 -5.782 -0.958 -12.153 100 HA GLU 12 HA GLU 12 -8.244 -2.534 -11.723 101 1HB GLU 12 HB2 GLU 12 -7.334 -3.126 -14.288 102 2HB GLU 12 HB1 GLU 12 -8.694 -2.082 -13.886 103 1HG GLU 12 HG2 GLU 12 -5.981 -0.895 -13.892 104 2HG GLU 12 HG1 GLU 12 -6.707 -1.307 -15.446 105 H LEU 13 HN LEU 13 -4.885 -2.568 -12.707 106 HA LEU 13 HA LEU 13 -4.651 -5.398 -12.831 107 1HB LEU 13 HB2 LEU 13 -2.660 -3.154 -12.766 108 2HB LEU 13 HB1 LEU 13 -2.145 -4.830 -12.743 109 HG LEU 13 HG LEU 13 -2.030 -3.940 -14.999 110 1HD1 LEU 13 HD11 LEU 13 -2.570 -6.294 -14.737 111 2HD1 LEU 13 HD12 LEU 13 -3.372 -5.619 -16.155 112 3HD1 LEU 13 HD13 LEU 13 -4.290 -5.906 -14.677 113 1HD2 LEU 13 HD21 LEU 13 -4.042 -3.265 -16.217 114 2HD2 LEU 13 HD22 LEU 13 -3.739 -2.203 -14.842 115 3HD2 LEU 13 HD23 LEU 13 -5.003 -3.434 -14.744 116 H GLY 14 HN GLY 14 -4.602 -3.155 -10.248 117 1HA GLY 14 HA2 GLY 14 -5.137 -4.141 -8.092 118 2HA GLY 14 HA1 GLY 14 -3.967 -5.407 -8.438 119 H ARG 15 HN ARG 15 -2.739 -2.556 -9.517 120 HA ARG 15 HA ARG 15 -1.171 -2.329 -7.096 121 1HB ARG 15 HB2 ARG 15 0.196 -0.731 -8.628 122 2HB ARG 15 HB1 ARG 15 0.324 -2.470 -8.818 123 1HG ARG 15 HG2 ARG 15 -1.384 -2.269 -10.664 124 2HG ARG 15 HG1 ARG 15 -1.147 -0.516 -10.546 125 1HD ARG 15 HD2 ARG 15 1.112 -0.663 -11.149 126 2HD ARG 15 HD1 ARG 15 1.163 -2.396 -10.878 127 HE ARG 15 HE ARG 15 0.883 -2.464 -13.125 128 1HH1 ARG 15 HH11 ARG 15 -1.447 -0.112 -11.920 129 2HH1 ARG 15 HH12 ARG 15 -2.195 0.106 -13.464 130 1HH2 ARG 15 HH21 ARG 15 -0.067 -2.116 -15.131 131 2HH2 ARG 15 HH22 ARG 15 -1.397 -1.004 -15.291 132 H VAL 16 HN VAL 16 -1.517 -0.846 -5.655 133 HA VAL 16 HA VAL 16 -3.428 1.272 -6.174 134 HB VAL 16 HB VAL 16 -3.271 -0.005 -3.960 135 1HG1 VAL 16 HG11 VAL 16 -0.881 0.056 -3.656 136 2HG1 VAL 16 HG12 VAL 16 -1.726 0.779 -2.288 137 3HG1 VAL 16 HG13 VAL 16 -0.944 1.811 -3.485 138 1HG2 VAL 16 HG21 VAL 16 -3.205 2.996 -3.881 139 2HG2 VAL 16 HG22 VAL 16 -3.846 1.951 -2.613 140 3HG2 VAL 16 HG23 VAL 16 -4.618 1.990 -4.199 141 H VAL 17 HN VAL 17 -2.893 3.372 -6.578 142 HA VAL 17 HA VAL 17 -0.138 3.842 -7.218 143 HB VAL 17 HB VAL 17 -2.312 5.931 -7.184 144 1HG1 VAL 17 HG11 VAL 17 -0.089 6.828 -7.420 145 2HG1 VAL 17 HG12 VAL 17 -0.939 6.957 -8.961 146 3HG1 VAL 17 HG13 VAL 17 0.265 5.692 -8.721 147 1HG2 VAL 17 HG21 VAL 17 -1.626 4.025 -9.415 148 2HG2 VAL 17 HG22 VAL 17 -2.715 5.405 -9.549 149 3HG2 VAL 17 HG23 VAL 17 -3.127 4.054 -8.492 150 H ILE 18 HN ILE 18 0.834 3.566 -5.203 151 HA ILE 18 HA ILE 18 0.219 5.276 -3.057 152 HB ILE 18 HB ILE 18 1.323 3.454 -2.288 153 1HG1 ILE 18 HG12 ILE 18 3.631 5.368 -2.571 154 2HG1 ILE 18 HG11 ILE 18 2.306 5.588 -1.426 155 1HG2 ILE 18 HG21 ILE 18 3.381 2.481 -3.188 156 2HG2 ILE 18 HG22 ILE 18 3.371 3.700 -4.463 157 3HG2 ILE 18 HG23 ILE 18 2.072 2.511 -4.369 158 1HD1 ILE 18 HD11 ILE 18 4.242 4.639 -0.331 159 2HD1 ILE 18 HD12 ILE 18 4.265 3.300 -1.478 160 3HD1 ILE 18 HD13 ILE 18 2.922 3.470 -0.349 161 HA PRO 19 HA PRO 19 1.619 8.837 -5.183 162 1HB PRO 19 HB2 PRO 19 1.968 9.937 -2.452 163 2HB PRO 19 HB1 PRO 19 1.066 10.593 -3.822 164 1HG PRO 19 HG2 PRO 19 -0.210 9.457 -1.777 165 2HG PRO 19 HG1 PRO 19 -0.762 9.193 -3.444 166 1HD PRO 19 HD2 PRO 19 0.795 7.373 -1.651 167 2HD PRO 19 HD1 PRO 19 -0.492 6.985 -2.814 168 H ILE 20 HN ILE 20 3.506 9.597 -5.879 169 HA ILE 20 HA ILE 20 5.933 8.442 -5.152 170 HB ILE 20 HB ILE 20 7.033 10.165 -6.472 171 1HG1 ILE 20 HG12 ILE 20 5.220 11.807 -7.604 172 2HG1 ILE 20 HG11 ILE 20 4.485 11.628 -6.012 173 1HG2 ILE 20 HG21 ILE 20 5.905 8.303 -7.577 174 2HG2 ILE 20 HG22 ILE 20 5.913 9.754 -8.581 175 3HG2 ILE 20 HG23 ILE 20 4.444 9.279 -7.727 176 1HD1 ILE 20 HD11 ILE 20 6.450 12.478 -4.939 177 2HD1 ILE 20 HD12 ILE 20 5.961 13.599 -6.217 178 3HD1 ILE 20 HD13 ILE 20 7.324 12.508 -6.474 179 H GLU 21 HN GLU 21 4.236 11.137 -3.919 180 HA GLU 21 HA GLU 21 6.314 12.501 -2.592 181 1HB GLU 21 HB2 GLU 21 3.673 12.681 -1.344 182 2HB GLU 21 HB1 GLU 21 4.643 13.947 -2.090 183 1HG GLU 21 HG2 GLU 21 3.876 13.199 -4.312 184 2HG GLU 21 HG1 GLU 21 2.864 11.985 -3.534 185 H LEU 22 HN LEU 22 3.974 10.076 -1.582 186 HA LEU 22 HA LEU 22 4.877 10.000 1.096 187 1HB LEU 22 HB2 LEU 22 3.123 8.263 -0.576 188 2HB LEU 22 HB1 LEU 22 3.663 7.702 1.001 189 HG LEU 22 HG LEU 22 2.810 10.055 1.771 190 1HD1 LEU 22 HD11 LEU 22 1.135 9.550 -0.673 191 2HD1 LEU 22 HD12 LEU 22 2.263 10.887 -0.429 192 3HD1 LEU 22 HD13 LEU 22 0.814 10.763 0.569 193 1HD2 LEU 22 HD21 LEU 22 0.640 9.016 2.293 194 2HD2 LEU 22 HD22 LEU 22 1.990 7.918 2.587 195 3HD2 LEU 22 HD23 LEU 22 0.997 7.727 1.141 196 H ARG 23 HN ARG 23 5.537 8.004 -1.762 197 HA ARG 23 HA ARG 23 7.278 6.251 -0.322 198 1HB ARG 23 HB2 ARG 23 7.807 5.289 -2.468 199 2HB ARG 23 HB1 ARG 23 6.086 5.630 -2.442 200 1HG ARG 23 HG2 ARG 23 6.596 6.378 -4.519 201 2HG ARG 23 HG1 ARG 23 6.870 7.867 -3.605 202 1HD ARG 23 HD2 ARG 23 9.271 7.234 -3.431 203 2HD ARG 23 HD1 ARG 23 8.942 5.861 -4.484 204 HE ARG 23 HE ARG 23 8.288 7.550 -6.194 205 1HH1 ARG 23 HH11 ARG 23 10.461 8.384 -3.581 206 2HH1 ARG 23 HH12 ARG 23 11.221 9.680 -4.454 207 1HH2 ARG 23 HH21 ARG 23 9.335 9.240 -7.370 208 2HH2 ARG 23 HH22 ARG 23 10.589 10.158 -6.584 209 H ARG 24 HN ARG 24 7.504 9.372 -1.526 210 HA ARG 24 HA ARG 24 10.386 9.512 -1.578 211 1HB ARG 24 HB2 ARG 24 9.135 10.986 -2.986 212 2HB ARG 24 HB1 ARG 24 8.168 11.548 -1.627 213 1HG ARG 24 HG2 ARG 24 11.059 11.976 -1.385 214 2HG ARG 24 HG1 ARG 24 10.263 12.875 -2.681 215 1HD ARG 24 HD2 ARG 24 8.710 13.849 -1.134 216 2HD ARG 24 HD1 ARG 24 9.309 12.830 0.177 217 HE ARG 24 HE ARG 24 11.526 14.138 -0.499 218 1HH1 ARG 24 HH11 ARG 24 8.268 15.326 0.030 219 2HH1 ARG 24 HH12 ARG 24 8.796 16.887 0.595 220 1HH2 ARG 24 HH21 ARG 24 12.220 16.170 0.250 221 2HH2 ARG 24 HH22 ARG 24 11.045 17.354 0.754 222 H THR 25 HN THR 25 7.775 9.882 0.649 223 HA THR 25 HA THR 25 9.157 11.334 2.645 224 HB THR 25 HB THR 25 6.735 9.548 2.865 225 HG1 THR 25 HG1 THR 25 6.633 11.491 1.459 226 1HG2 THR 25 HG21 THR 25 7.838 11.615 4.763 227 2HG2 THR 25 HG22 THR 25 7.738 9.875 5.038 228 3HG2 THR 25 HG23 THR 25 6.263 10.835 4.921 229 H LEU 26 HN LEU 26 8.454 7.919 2.108 230 HA LEU 26 HA LEU 26 10.034 7.098 4.375 231 1HB LEU 26 HB2 LEU 26 9.120 5.332 2.119 232 2HB LEU 26 HB1 LEU 26 9.576 4.856 3.738 233 HG LEU 26 HG LEU 26 7.366 4.696 4.033 234 1HD1 LEU 26 HD11 LEU 26 7.952 6.574 5.477 235 2HD1 LEU 26 HD12 LEU 26 6.276 6.651 4.932 236 3HD1 LEU 26 HD13 LEU 26 7.493 7.693 4.191 237 1HD2 LEU 26 HD21 LEU 26 6.860 4.958 1.700 238 2HD2 LEU 26 HD22 LEU 26 6.944 6.713 1.862 239 3HD2 LEU 26 HD23 LEU 26 5.671 5.811 2.685 240 H GLY 27 HN GLY 27 10.575 7.994 1.177 241 1HA GLY 27 HA2 GLY 27 12.537 8.328 0.046 242 2HA GLY 27 HA1 GLY 27 13.399 7.671 1.414 243 H ILE 28 HN ILE 28 10.875 5.777 0.131 244 HA ILE 28 HA ILE 28 12.683 3.845 -1.038 245 HB ILE 28 HB ILE 28 10.714 2.483 -1.407 246 1HG1 ILE 28 HG12 ILE 28 9.054 4.814 -0.453 247 2HG1 ILE 28 HG11 ILE 28 9.269 4.369 -2.147 248 1HG2 ILE 28 HG21 ILE 28 10.552 3.847 1.278 249 2HG2 ILE 28 HG22 ILE 28 11.629 2.514 0.856 250 3HG2 ILE 28 HG23 ILE 28 9.883 2.265 0.878 251 1HD1 ILE 28 HD11 ILE 28 7.975 2.729 0.007 252 2HD1 ILE 28 HD12 ILE 28 8.324 2.151 -1.620 253 3HD1 ILE 28 HD13 ILE 28 7.194 3.487 -1.384 254 H ALA 29 HN ALA 29 10.926 3.039 -3.163 255 HA ALA 29 HA ALA 29 10.646 5.293 -4.942 256 1HB ALA 29 HB1 ALA 29 12.693 3.153 -5.541 257 2HB ALA 29 HB2 ALA 29 13.034 4.847 -5.183 258 3HB ALA 29 HB3 ALA 29 12.169 4.412 -6.659 259 H GLU 30 HN GLU 30 10.155 4.323 -7.248 260 HA GLU 30 HA GLU 30 7.940 2.516 -6.887 261 1HB GLU 30 HB2 GLU 30 7.784 2.784 -9.414 262 2HB GLU 30 HB1 GLU 30 7.626 4.268 -8.478 263 1HG GLU 30 HG2 GLU 30 10.312 3.477 -9.474 264 2HG GLU 30 HG1 GLU 30 9.150 4.155 -10.616 265 H LYS 31 HN LYS 31 11.194 2.430 -8.074 266 HA LYS 31 HA LYS 31 11.057 -0.266 -9.062 267 1HB LYS 31 HB2 LYS 31 13.544 1.286 -8.368 268 2HB LYS 31 HB1 LYS 31 13.372 -0.035 -9.513 269 1HG LYS 31 HG2 LYS 31 11.920 2.546 -9.905 270 2HG LYS 31 HG1 LYS 31 13.597 2.352 -10.423 271 1HD LYS 31 HD2 LYS 31 12.363 1.843 -12.334 272 2HD LYS 31 HD1 LYS 31 12.736 0.257 -11.657 273 1HE LYS 31 HE2 LYS 31 10.511 0.248 -10.578 274 2HE LYS 31 HE1 LYS 31 10.149 1.780 -11.372 275 1HZ LYS 31 HZ1 LYS 31 9.207 -0.014 -12.634 276 2HZ LYS 31 HZ2 LYS 31 10.697 -0.823 -12.697 277 3HZ LYS 31 HZ3 LYS 31 10.494 0.647 -13.521 278 H ASP 32 HN ASP 32 10.855 0.968 -6.066 279 HA ASP 32 HA ASP 32 12.650 -0.822 -4.705 280 1HB ASP 32 HB2 ASP 32 12.059 1.631 -4.109 281 2HB ASP 32 HB1 ASP 32 10.597 0.943 -3.438 282 H ALA 33 HN ALA 33 11.598 -1.951 -2.745 283 HA ALA 33 HA ALA 33 9.047 -3.171 -3.619 284 1HB ALA 33 HB1 ALA 33 9.767 -5.282 -2.626 285 2HB ALA 33 HB2 ALA 33 11.306 -4.559 -2.149 286 3HB ALA 33 HB3 ALA 33 10.920 -4.763 -3.857 287 H LEU 34 HN LEU 34 7.667 -3.768 -1.881 288 HA LEU 34 HA LEU 34 8.222 -2.343 0.636 289 1HB LEU 34 HB2 LEU 34 5.692 -2.428 -1.013 290 2HB LEU 34 HB1 LEU 34 5.722 -1.916 0.665 291 HG LEU 34 HG LEU 34 7.434 -0.566 -1.425 292 1HD1 LEU 34 HD11 LEU 34 4.644 0.214 -0.542 293 2HD1 LEU 34 HD12 LEU 34 5.062 -0.452 -2.122 294 3HD1 LEU 34 HD13 LEU 34 5.693 1.120 -1.633 295 1HD2 LEU 34 HD21 LEU 34 6.343 0.299 1.261 296 2HD2 LEU 34 HD22 LEU 34 7.378 1.257 0.200 297 3HD2 LEU 34 HD23 LEU 34 7.998 -0.221 0.936 298 H GLU 35 HN GLU 35 7.892 -3.576 2.393 299 HA GLU 35 HA GLU 35 7.062 -6.309 1.947 300 1HB GLU 35 HB2 GLU 35 9.139 -5.606 3.260 301 2HB GLU 35 HB1 GLU 35 8.026 -5.135 4.541 302 1HG GLU 35 HG2 GLU 35 7.113 -7.427 4.512 303 2HG GLU 35 HG1 GLU 35 8.340 -7.853 3.324 304 H ILE 36 HN ILE 36 4.948 -6.383 1.800 305 HA ILE 36 HA ILE 36 3.313 -4.699 3.514 306 HB ILE 36 HB ILE 36 2.601 -6.557 1.262 307 1HG1 ILE 36 HG12 ILE 36 1.960 -3.871 0.689 308 2HG1 ILE 36 HG11 ILE 36 3.587 -3.864 1.372 309 1HG2 ILE 36 HG21 ILE 36 0.676 -6.498 2.604 310 2HG2 ILE 36 HG22 ILE 36 0.391 -5.259 1.379 311 3HG2 ILE 36 HG23 ILE 36 0.908 -4.797 3.006 312 1HD1 ILE 36 HD11 ILE 36 4.265 -5.545 -0.271 313 2HD1 ILE 36 HD12 ILE 36 3.682 -4.057 -1.025 314 3HD1 ILE 36 HD13 ILE 36 2.649 -5.486 -0.979 315 H TYR 37 HN TYR 37 2.107 -5.298 5.102 316 HA TYR 37 HA TYR 37 1.527 -8.146 5.669 317 1HB TYR 37 HB2 TYR 37 2.046 -6.006 7.763 318 2HB TYR 37 HB1 TYR 37 1.654 -7.691 8.054 319 HD1 TYR 37 HD1 TYR 37 3.355 -9.440 7.655 320 HD2 TYR 37 HD2 TYR 37 4.259 -5.298 7.364 321 HE1 TYR 37 HE1 TYR 37 5.747 -9.947 7.929 322 HE2 TYR 37 HE2 TYR 37 6.644 -5.793 7.617 323 HH TYR 37 HH TYR 37 8.041 -8.614 7.181 324 H VAL 38 HN VAL 38 -0.303 -7.991 7.516 325 HA VAL 38 HA VAL 38 -2.011 -5.678 7.211 326 HB VAL 38 HB VAL 38 -2.844 -8.424 6.335 327 1HG1 VAL 38 HG11 VAL 38 -4.517 -8.027 7.927 328 2HG1 VAL 38 HG12 VAL 38 -5.226 -7.502 6.397 329 3HG1 VAL 38 HG13 VAL 38 -4.593 -6.307 7.538 330 1HG2 VAL 38 HG21 VAL 38 -3.358 -5.684 5.204 331 2HG2 VAL 38 HG22 VAL 38 -3.888 -7.209 4.493 332 3HG2 VAL 38 HG23 VAL 38 -2.168 -6.844 4.615 333 H ASP 39 HN ASP 39 -2.999 -5.161 8.991 334 HA ASP 39 HA ASP 39 -2.771 -6.923 11.325 335 1HB ASP 39 HB2 ASP 39 -1.811 -4.647 11.534 336 2HB ASP 39 HB1 ASP 39 -3.391 -3.962 11.172 337 H ASP 40 HN ASP 40 -4.458 -8.259 11.111 338 HA ASP 40 HA ASP 40 -6.557 -9.051 11.219 339 1HB ASP 40 HB2 ASP 40 -6.832 -6.347 12.380 340 2HB ASP 40 HB1 ASP 40 -8.326 -7.167 11.924 341 H GLU 41 HN GLU 41 -6.979 -5.760 9.997 342 HA GLU 41 HA GLU 41 -8.276 -6.845 7.601 343 1HB GLU 41 HB2 GLU 41 -9.963 -4.937 7.910 344 2HB GLU 41 HB1 GLU 41 -10.133 -6.337 8.967 345 1HG GLU 41 HG2 GLU 41 -9.207 -5.203 10.806 346 2HG GLU 41 HG1 GLU 41 -8.583 -3.902 9.789 347 H LYS 42 HN LYS 42 -5.882 -4.890 8.823 348 HA LYS 42 HA LYS 42 -6.204 -2.987 6.618 349 1HB LYS 42 HB2 LYS 42 -5.402 -1.203 7.916 350 2HB LYS 42 HB1 LYS 42 -6.471 -2.071 9.008 351 1HG LYS 42 HG2 LYS 42 -4.536 -3.178 10.011 352 2HG LYS 42 HG1 LYS 42 -3.471 -2.291 8.923 353 1HD LYS 42 HD2 LYS 42 -4.523 -0.179 9.922 354 2HD LYS 42 HD1 LYS 42 -5.142 -1.246 11.188 355 1HE LYS 42 HE2 LYS 42 -2.718 -2.051 11.424 356 2HE LYS 42 HE1 LYS 42 -2.288 -0.627 10.472 357 1HZ LYS 42 HZ1 LYS 42 -2.126 -0.237 12.861 358 2HZ LYS 42 HZ2 LYS 42 -3.777 -0.580 13.045 359 3HZ LYS 42 HZ3 LYS 42 -3.285 0.774 12.145 360 H ILE 43 HN ILE 43 -4.376 -2.129 5.658 361 HA ILE 43 HA ILE 43 -2.418 -4.243 5.261 362 HB ILE 43 HB ILE 43 -2.865 -1.737 3.639 363 1HG1 ILE 43 HG12 ILE 43 -4.070 -4.449 3.097 364 2HG1 ILE 43 HG11 ILE 43 -4.929 -3.192 3.979 365 1HG2 ILE 43 HG21 ILE 43 -1.814 -4.390 2.710 366 2HG2 ILE 43 HG22 ILE 43 -0.766 -3.133 3.366 367 3HG2 ILE 43 HG23 ILE 43 -1.716 -2.817 1.908 368 1HD1 ILE 43 HD11 ILE 43 -4.785 -1.730 2.035 369 2HD1 ILE 43 HD12 ILE 43 -5.588 -3.253 1.647 370 3HD1 ILE 43 HD13 ILE 43 -3.915 -2.987 1.156 371 H ILE 44 HN ILE 44 -0.241 -3.966 5.519 372 HA ILE 44 HA ILE 44 0.681 -1.390 6.635 373 HB ILE 44 HB ILE 44 2.236 -3.732 7.490 374 1HG1 ILE 44 HG12 ILE 44 -0.049 -4.704 7.604 375 2HG1 ILE 44 HG11 ILE 44 0.729 -4.566 9.173 376 1HG2 ILE 44 HG21 ILE 44 2.666 -1.499 8.322 377 2HG2 ILE 44 HG22 ILE 44 2.174 -2.548 9.649 378 3HG2 ILE 44 HG23 ILE 44 1.029 -1.395 8.966 379 1HD1 ILE 44 HD11 ILE 44 -0.696 -2.869 9.857 380 2HD1 ILE 44 HD12 ILE 44 -1.745 -3.974 8.954 381 3HD1 ILE 44 HD13 ILE 44 -1.177 -2.479 8.206 382 H LEU 45 HN LEU 45 1.913 -0.553 5.029 383 HA LEU 45 HA LEU 45 3.618 -2.377 3.492 384 1HB LEU 45 HB2 LEU 45 2.531 0.375 3.009 385 2HB LEU 45 HB1 LEU 45 4.055 -0.067 2.249 386 HG LEU 45 HG LEU 45 2.910 -2.003 1.179 387 1HD1 LEU 45 HD11 LEU 45 0.428 -0.714 2.302 388 2HD1 LEU 45 HD12 LEU 45 1.093 -2.278 2.774 389 3HD1 LEU 45 HD13 LEU 45 0.470 -2.041 1.140 390 1HD2 LEU 45 HD21 LEU 45 1.683 0.698 0.624 391 2HD2 LEU 45 HD22 LEU 45 1.728 -0.671 -0.487 392 3HD2 LEU 45 HD23 LEU 45 3.228 0.121 -0.001 393 H LYS 46 HN LYS 46 5.536 -2.695 4.461 394 HA LYS 46 HA LYS 46 7.018 -0.317 5.399 395 1HB LYS 46 HB2 LYS 46 7.863 -3.217 5.448 396 2HB LYS 46 HB1 LYS 46 8.711 -1.874 6.187 397 1HG LYS 46 HG2 LYS 46 6.759 -1.598 7.722 398 2HG LYS 46 HG1 LYS 46 6.118 -3.107 7.042 399 1HD LYS 46 HD2 LYS 46 8.767 -2.738 8.422 400 2HD LYS 46 HD1 LYS 46 7.368 -3.639 9.028 401 1HE LYS 46 HE2 LYS 46 7.563 -5.258 7.316 402 2HE LYS 46 HE1 LYS 46 8.723 -4.282 6.425 403 1HZ LYS 46 HZ1 LYS 46 10.292 -4.606 8.273 404 2HZ LYS 46 HZ2 LYS 46 9.856 -6.054 7.507 405 3HZ LYS 46 HZ3 LYS 46 9.184 -5.658 9.015 406 H LYS 47 HN LYS 47 9.177 -0.070 4.563 407 HA LYS 47 HA LYS 47 9.532 -0.739 1.803 408 1HB LYS 47 HB2 LYS 47 11.787 0.181 2.130 409 2HB LYS 47 HB1 LYS 47 10.587 1.231 2.886 410 1HG LYS 47 HG2 LYS 47 11.107 0.264 5.064 411 2HG LYS 47 HG1 LYS 47 12.314 -0.784 4.315 412 1HD LYS 47 HD2 LYS 47 13.471 1.059 5.246 413 2HD LYS 47 HD1 LYS 47 13.444 1.292 3.496 414 1HE LYS 47 HE2 LYS 47 11.624 2.871 3.690 415 2HE LYS 47 HE1 LYS 47 11.504 2.567 5.422 416 1HZ LYS 47 HZ1 LYS 47 13.667 3.534 5.740 417 2HZ LYS 47 HZ2 LYS 47 12.698 4.630 4.891 418 3HZ LYS 47 HZ3 LYS 47 13.878 3.735 4.070 419 H TYR 48 HN TYR 48 10.878 -2.448 0.973 420 HA TYR 48 HA TYR 48 10.571 -4.789 2.475 421 1HB TYR 48 HB2 TYR 48 11.356 -5.959 0.644 422 2HB TYR 48 HB1 TYR 48 10.780 -4.470 -0.094 423 HD1 TYR 48 HD1 TYR 48 13.624 -6.609 0.504 424 HD2 TYR 48 HD2 TYR 48 12.459 -2.730 -0.795 425 HE1 TYR 48 HE1 TYR 48 15.826 -6.305 -0.542 426 HE2 TYR 48 HE2 TYR 48 14.661 -2.415 -1.842 427 HH TYR 48 HH TYR 48 16.922 -3.279 -1.675 428 H LYS 49 HN LYS 49 12.094 -6.228 3.355 429 HA LYS 49 HA LYS 49 13.944 -4.939 5.044 430 1HB LYS 49 HB2 LYS 49 12.707 -7.028 5.602 431 2HB LYS 49 HB1 LYS 49 13.684 -7.884 4.418 432 1HG LYS 49 HG2 LYS 49 14.502 -8.286 6.660 433 2HG LYS 49 HG1 LYS 49 15.696 -7.390 5.718 434 1HD LYS 49 HD2 LYS 49 15.558 -6.465 7.940 435 2HD LYS 49 HD1 LYS 49 14.903 -5.304 6.783 436 1HE LYS 49 HE2 LYS 49 12.646 -5.957 7.358 437 2HE LYS 49 HE1 LYS 49 13.256 -7.210 8.437 438 1HZ LYS 49 HZ1 LYS 49 12.596 -5.268 9.689 439 2HZ LYS 49 HZ2 LYS 49 13.626 -4.279 8.774 440 3HZ LYS 49 HZ3 LYS 49 14.278 -5.465 9.794 441 HA PRO 50 HA PRO 50 17.182 -5.024 1.967 442 1HB PRO 50 HB2 PRO 50 18.718 -3.129 3.053 443 2HB PRO 50 HB1 PRO 50 17.169 -2.721 2.307 444 1HG PRO 50 HG2 PRO 50 17.866 -3.019 5.196 445 2HG PRO 50 HG1 PRO 50 16.827 -1.815 4.411 446 1HD PRO 50 HD2 PRO 50 15.922 -4.089 5.714 447 2HD PRO 50 HD1 PRO 50 15.008 -3.178 4.502 448 H ASN 51 HN ASN 51 17.060 -6.990 4.099 449 HA ASN 51 HA ASN 51 19.569 -7.068 5.451 450 1HB ASN 51 HB2 ASN 51 17.601 -8.145 6.392 451 2HB ASN 51 HB1 ASN 51 17.508 -9.227 5.009 452 1HD2 ASN 51 HD21 ASN 51 17.759 -11.102 6.124 453 2HD2 ASN 51 HD22 ASN 51 19.220 -11.546 6.945 454 H MET 52 HN MET 52 21.082 -6.842 3.829 455 HA MET 52 HA MET 52 21.287 -8.972 1.848 456 1HB MET 52 HB2 MET 52 23.208 -7.594 0.983 457 2HB MET 52 HB1 MET 52 21.650 -6.780 0.956 458 1HG MET 52 HG2 MET 52 22.250 -5.575 2.997 459 2HG MET 52 HG1 MET 52 23.816 -6.381 3.009 460 1HE MET 52 HE1 MET 52 25.587 -4.912 -0.117 461 2HE MET 52 HE2 MET 52 24.679 -6.420 -0.018 462 3HE MET 52 HE3 MET 52 25.735 -5.939 1.309 463 H THR 53 HN THR 53 22.261 -10.765 2.465 464 HA THR 53 HA THR 53 24.432 -10.523 4.420 465 HB THR 53 HB THR 53 22.539 -11.559 5.455 466 HG1 THR 53 HG1 THR 53 24.181 -12.567 6.329 467 1HG2 THR 53 HG21 THR 53 21.602 -13.693 4.683 468 2HG2 THR 53 HG22 THR 53 22.619 -13.607 3.244 469 3HG2 THR 53 HG23 THR 53 21.358 -12.402 3.507 470 1H MET 1 HT1 MET 1 -7.161 -15.764 6.580 471 2H MET 1 HT2 MET 1 -7.214 -14.088 6.829 472 3H MET 1 HT3 MET 1 -6.287 -15.069 7.855 473 HA MET 1 HA MET 1 -4.868 -15.681 5.988 474 1HB MET 1 HB2 MET 1 -6.518 -13.593 4.550 475 2HB MET 1 HB1 MET 1 -4.996 -14.238 3.951 476 1HG MET 1 HG2 MET 1 -7.497 -15.831 4.462 477 2HG MET 1 HG1 MET 1 -6.921 -15.290 2.888 478 1HE MET 1 HE1 MET 1 -3.827 -15.707 3.008 479 2HE MET 1 HE2 MET 1 -4.802 -16.273 1.651 480 3HE MET 1 HE3 MET 1 -3.646 -17.360 2.421 481 H LYS 2 HN LYS 2 -6.090 -12.384 6.482 482 HA LYS 2 HA LYS 2 -5.065 -10.412 6.938 483 1HB LYS 2 HB2 LYS 2 -3.969 -10.344 9.090 484 2HB LYS 2 HB1 LYS 2 -5.341 -11.436 9.157 485 1HG LYS 2 HG2 LYS 2 -3.947 -13.339 9.226 486 2HG LYS 2 HG1 LYS 2 -2.526 -12.407 8.748 487 1HD LYS 2 HD2 LYS 2 -4.026 -11.913 11.305 488 2HD LYS 2 HD1 LYS 2 -2.664 -13.029 11.181 489 1HE LYS 2 HE2 LYS 2 -1.151 -11.338 10.710 490 2HE LYS 2 HE1 LYS 2 -2.397 -10.193 10.224 491 1HZ LYS 2 HZ1 LYS 2 -1.417 -9.693 12.411 492 2HZ LYS 2 HZ2 LYS 2 -1.975 -11.176 13.006 493 3HZ LYS 2 HZ3 LYS 2 -3.081 -9.987 12.521 494 H SER 3 HN SER 3 -2.438 -10.298 8.332 495 HA SER 3 HA SER 3 -0.745 -9.379 6.399 496 1HB SER 3 HB2 SER 3 0.986 -9.569 8.067 497 2HB SER 3 HB1 SER 3 -0.530 -9.223 8.913 498 HG SER 3 HG SER 3 0.252 -11.895 8.531 499 H THR 4 HN THR 4 0.550 -10.152 4.963 500 HA THR 4 HA THR 4 0.843 -13.051 4.832 501 HB THR 4 HB THR 4 1.662 -12.509 2.467 502 HG1 THR 4 HG1 THR 4 2.013 -10.291 2.742 503 1HG2 THR 4 HG21 THR 4 -1.186 -11.825 3.207 504 2HG2 THR 4 HG22 THR 4 -0.552 -13.450 2.945 505 3HG2 THR 4 HG23 THR 4 -0.621 -12.302 1.606 506 H GLY 5 HN GLY 5 2.583 -10.014 4.934 507 1HA GLY 5 HA2 GLY 5 4.795 -9.563 5.423 508 2HA GLY 5 HA1 GLY 5 5.062 -11.294 5.664 509 H ILE 6 HN ILE 6 3.913 -9.339 2.978 510 HA ILE 6 HA ILE 6 5.648 -10.892 1.180 511 HB ILE 6 HB ILE 6 2.735 -10.581 1.279 512 1HG1 ILE 6 HG12 ILE 6 2.829 -12.575 -0.190 513 2HG1 ILE 6 HG11 ILE 6 4.569 -12.371 -0.354 514 1HG2 ILE 6 HG21 ILE 6 2.368 -10.398 -1.150 515 2HG2 ILE 6 HG22 ILE 6 4.085 -10.072 -1.385 516 3HG2 ILE 6 HG23 ILE 6 3.088 -8.933 -0.480 517 1HD1 ILE 6 HD11 ILE 6 4.049 -14.109 1.241 518 2HD1 ILE 6 HD12 ILE 6 3.081 -12.979 2.186 519 3HD1 ILE 6 HD13 ILE 6 4.823 -12.746 2.051 520 H VAL 7 HN VAL 7 6.975 -9.654 -0.035 521 HA VAL 7 HA VAL 7 6.486 -6.776 -0.011 522 HB VAL 7 HB VAL 7 8.694 -6.394 -0.570 523 1HG1 VAL 7 HG11 VAL 7 8.634 -7.200 1.655 524 2HG1 VAL 7 HG12 VAL 7 10.069 -7.884 0.888 525 3HG1 VAL 7 HG13 VAL 7 8.630 -8.880 1.112 526 1HG2 VAL 7 HG21 VAL 7 8.829 -9.199 -1.643 527 2HG2 VAL 7 HG22 VAL 7 10.257 -8.202 -1.372 528 3HG2 VAL 7 HG23 VAL 7 9.025 -7.677 -2.519 529 H ARG 8 HN ARG 8 6.393 -5.522 -1.888 530 HA ARG 8 HA ARG 8 6.232 -6.894 -4.470 531 1HB ARG 8 HB2 ARG 8 4.099 -5.136 -3.263 532 2HB ARG 8 HB1 ARG 8 4.230 -5.398 -4.998 533 1HG ARG 8 HG2 ARG 8 3.839 -7.555 -2.941 534 2HG ARG 8 HG1 ARG 8 2.585 -6.880 -3.992 535 1HD ARG 8 HD2 ARG 8 3.924 -7.547 -5.948 536 2HD ARG 8 HD1 ARG 8 5.085 -8.309 -4.860 537 HE ARG 8 HE ARG 8 3.367 -9.906 -4.261 538 1HH1 ARG 8 HH11 ARG 8 2.705 -7.892 -7.039 539 2HH1 ARG 8 HH12 ARG 8 1.548 -8.989 -7.734 540 1HH2 ARG 8 HH21 ARG 8 1.816 -11.354 -5.155 541 2HH2 ARG 8 HH22 ARG 8 1.041 -10.944 -6.654 542 H LYS 9 HN LYS 9 6.554 -5.545 -6.284 543 HA LYS 9 HA LYS 9 8.258 -3.271 -5.836 544 1HB LYS 9 HB2 LYS 9 6.982 -4.384 -8.354 545 2HB LYS 9 HB1 LYS 9 8.161 -3.082 -8.334 546 1HG LYS 9 HG2 LYS 9 8.770 -5.746 -7.129 547 2HG LYS 9 HG1 LYS 9 8.960 -5.454 -8.863 548 1HD LYS 9 HD2 LYS 9 10.981 -4.625 -8.419 549 2HD LYS 9 HD1 LYS 9 10.179 -3.271 -7.623 550 1HE LYS 9 HE2 LYS 9 11.782 -4.199 -6.111 551 2HE LYS 9 HE1 LYS 9 10.161 -4.585 -5.525 552 1HZ LYS 9 HZ1 LYS 9 11.834 -6.449 -5.465 553 2HZ LYS 9 HZ2 LYS 9 11.765 -6.477 -7.160 554 3HZ LYS 9 HZ3 LYS 9 10.374 -6.806 -6.251 555 H VAL 10 HN VAL 10 7.850 -1.150 -6.590 556 HA VAL 10 HA VAL 10 5.062 -0.348 -6.165 557 HB VAL 10 HB VAL 10 7.522 1.403 -6.260 558 1HG1 VAL 10 HG11 VAL 10 5.505 2.672 -6.537 559 2HG1 VAL 10 HG12 VAL 10 6.132 2.942 -4.910 560 3HG1 VAL 10 HG13 VAL 10 4.759 1.863 -5.158 561 1HG2 VAL 10 HG21 VAL 10 6.211 0.129 -3.863 562 2HG2 VAL 10 HG22 VAL 10 7.538 1.291 -3.822 563 3HG2 VAL 10 HG23 VAL 10 7.783 -0.300 -4.541 564 H ASP 11 HN ASP 11 6.527 -1.349 -8.730 565 HA ASP 11 HA ASP 11 6.087 -1.201 -10.942 566 1HB ASP 11 HB2 ASP 11 3.758 -0.558 -10.055 567 2HB ASP 11 HB1 ASP 11 4.243 1.113 -10.324 568 H GLU 12 HN GLU 12 5.403 1.354 -12.226 569 HA GLU 12 HA GLU 12 7.932 2.840 -11.895 570 1HB GLU 12 HB2 GLU 12 6.759 3.470 -14.379 571 2HB GLU 12 HB1 GLU 12 8.247 2.572 -14.103 572 1HG GLU 12 HG2 GLU 12 5.678 1.120 -13.905 573 2HG GLU 12 HG1 GLU 12 6.235 1.607 -15.509 574 H LEU 13 HN LEU 13 4.558 2.916 -12.769 575 HA LEU 13 HA LEU 13 4.273 5.722 -12.864 576 1HB LEU 13 HB2 LEU 13 2.302 3.473 -12.543 577 2HB LEU 13 HB1 LEU 13 1.795 5.150 -12.592 578 HG LEU 13 HG LEU 13 1.489 4.191 -14.770 579 1HD1 LEU 13 HD11 LEU 13 3.912 5.977 -14.758 580 2HD1 LEU 13 HD12 LEU 13 2.230 6.502 -14.699 581 3HD1 LEU 13 HD13 LEU 13 2.848 5.683 -16.133 582 1HD2 LEU 13 HD21 LEU 13 3.344 3.282 -16.090 583 2HD2 LEU 13 HD22 LEU 13 3.055 2.331 -14.634 584 3HD2 LEU 13 HD23 LEU 13 4.419 3.449 -14.698 585 H GLY 14 HN GLY 14 4.086 3.398 -10.255 586 1HA GLY 14 HA2 GLY 14 4.904 4.457 -8.124 587 2HA GLY 14 HA1 GLY 14 3.660 5.668 -8.399 588 H ARG 15 HN ARG 15 2.421 2.899 -9.496 589 HA ARG 15 HA ARG 15 0.948 2.530 -7.051 590 1HB ARG 15 HB2 ARG 15 -0.456 1.026 -8.587 591 2HB ARG 15 HB1 ARG 15 -0.503 2.763 -8.828 592 1HG ARG 15 HG2 ARG 15 1.489 2.096 -10.519 593 2HG ARG 15 HG1 ARG 15 0.486 0.640 -10.580 594 1HD ARG 15 HD2 ARG 15 -1.462 1.955 -11.121 595 2HD ARG 15 HD1 ARG 15 -0.533 3.444 -10.957 596 HE ARG 15 HE ARG 15 0.716 1.854 -12.891 597 1HH1 ARG 15 HH11 ARG 15 -2.316 3.535 -12.432 598 2HH1 ARG 15 HH12 ARG 15 -2.548 3.869 -14.120 599 1HH2 ARG 15 HH21 ARG 15 0.404 2.255 -15.131 600 2HH2 ARG 15 HH22 ARG 15 -0.994 3.143 -15.649 601 H VAL 16 HN VAL 16 1.365 0.983 -5.655 602 HA VAL 16 HA VAL 16 3.262 -1.114 -6.321 603 HB VAL 16 HB VAL 16 3.232 0.032 -4.049 604 1HG1 VAL 16 HG11 VAL 16 0.863 0.093 -3.638 605 2HG1 VAL 16 HG12 VAL 16 1.695 -0.787 -2.356 606 3HG1 VAL 16 HG13 VAL 16 0.810 -1.669 -3.601 607 1HG2 VAL 16 HG21 VAL 16 3.819 -1.971 -2.831 608 2HG2 VAL 16 HG22 VAL 16 4.422 -2.066 -4.487 609 3HG2 VAL 16 HG23 VAL 16 2.974 -2.961 -4.022 610 H VAL 17 HN VAL 17 2.701 -3.162 -6.862 611 HA VAL 17 HA VAL 17 -0.091 -3.610 -7.357 612 HB VAL 17 HB VAL 17 2.060 -5.707 -7.598 613 1HG1 VAL 17 HG11 VAL 17 -0.301 -6.418 -7.768 614 2HG1 VAL 17 HG12 VAL 17 0.602 -6.671 -9.262 615 3HG1 VAL 17 HG13 VAL 17 -0.509 -5.309 -9.122 616 1HG2 VAL 17 HG21 VAL 17 1.301 -3.616 -9.635 617 2HG2 VAL 17 HG22 VAL 17 2.352 -5.000 -9.936 618 3HG2 VAL 17 HG23 VAL 17 2.849 -3.747 -8.798 619 H ILE 18 HN ILE 18 -0.929 -3.475 -5.285 620 HA ILE 18 HA ILE 18 -0.159 -5.271 -3.269 621 HB ILE 18 HB ILE 18 -1.250 -3.455 -2.418 622 1HG1 ILE 18 HG12 ILE 18 -3.453 -5.505 -2.462 623 2HG1 ILE 18 HG11 ILE 18 -1.996 -5.656 -1.478 624 1HG2 ILE 18 HG21 ILE 18 -3.475 -2.648 -3.099 625 2HG2 ILE 18 HG22 ILE 18 -3.474 -3.853 -4.388 626 3HG2 ILE 18 HG23 ILE 18 -2.275 -2.558 -4.391 627 1HD1 ILE 18 HD11 ILE 18 -3.991 -3.412 -1.286 628 2HD1 ILE 18 HD12 ILE 18 -2.590 -3.670 -0.242 629 3HD1 ILE 18 HD13 ILE 18 -3.931 -4.817 -0.224 630 HA PRO 19 HA PRO 19 -1.535 -8.798 -5.461 631 1HB PRO 19 HB2 PRO 19 -1.804 -9.930 -2.724 632 2HB PRO 19 HB1 PRO 19 -0.979 -10.596 -4.139 633 1HG PRO 19 HG2 PRO 19 0.416 -9.484 -2.168 634 2HG PRO 19 HG1 PRO 19 0.882 -9.230 -3.860 635 1HD PRO 19 HD2 PRO 19 -0.495 -7.373 -1.970 636 2HD PRO 19 HD1 PRO 19 0.675 -7.015 -3.259 637 H ILE 20 HN ILE 20 -3.431 -9.586 -6.135 638 HA ILE 20 HA ILE 20 -5.851 -8.443 -5.388 639 HB ILE 20 HB ILE 20 -6.958 -10.181 -6.682 640 1HG1 ILE 20 HG12 ILE 20 -5.148 -11.831 -7.812 641 2HG1 ILE 20 HG11 ILE 20 -4.410 -11.644 -6.223 642 1HG2 ILE 20 HG21 ILE 20 -5.800 -8.331 -7.804 643 2HG2 ILE 20 HG22 ILE 20 -5.873 -9.788 -8.798 644 3HG2 ILE 20 HG23 ILE 20 -4.372 -9.352 -7.979 645 1HD1 ILE 20 HD11 ILE 20 -6.332 -12.540 -5.138 646 2HD1 ILE 20 HD12 ILE 20 -5.912 -13.623 -6.471 647 3HD1 ILE 20 HD13 ILE 20 -7.262 -12.501 -6.638 648 H GLU 21 HN GLU 21 -4.146 -11.152 -4.166 649 HA GLU 21 HA GLU 21 -6.208 -12.508 -2.823 650 1HB GLU 21 HB2 GLU 21 -3.514 -12.670 -1.661 651 2HB GLU 21 HB1 GLU 21 -4.560 -13.948 -2.275 652 1HG GLU 21 HG2 GLU 21 -3.931 -13.359 -4.572 653 2HG GLU 21 HG1 GLU 21 -2.869 -12.097 -3.948 654 H LEU 22 HN LEU 22 -3.894 -10.039 -1.810 655 HA LEU 22 HA LEU 22 -4.737 -10.068 0.897 656 1HB LEU 22 HB2 LEU 22 -3.077 -8.202 -0.744 657 2HB LEU 22 HB1 LEU 22 -3.551 -7.775 0.894 658 HG LEU 22 HG LEU 22 -2.592 -10.125 1.477 659 1HD1 LEU 22 HD11 LEU 22 -1.120 -9.501 -1.068 660 2HD1 LEU 22 HD12 LEU 22 -2.209 -10.862 -0.789 661 3HD1 LEU 22 HD13 LEU 22 -0.686 -10.756 0.094 662 1HD2 LEU 22 HD21 LEU 22 -1.704 -8.056 2.352 663 2HD2 LEU 22 HD22 LEU 22 -0.874 -7.731 0.830 664 3HD2 LEU 22 HD23 LEU 22 -0.369 -9.088 1.838 665 H ARG 23 HN ARG 23 -5.457 -7.936 -1.856 666 HA ARG 23 HA ARG 23 -7.246 -6.327 -0.314 667 1HB ARG 23 HB2 ARG 23 -7.992 -5.444 -2.512 668 2HB ARG 23 HB1 ARG 23 -6.260 -5.340 -2.276 669 1HG ARG 23 HG2 ARG 23 -6.178 -6.142 -4.346 670 2HG ARG 23 HG1 ARG 23 -6.528 -7.705 -3.592 671 1HD ARG 23 HD2 ARG 23 -8.806 -7.533 -4.046 672 2HD ARG 23 HD1 ARG 23 -8.704 -5.808 -4.362 673 HE ARG 23 HE ARG 23 -7.132 -7.211 -6.239 674 1HH1 ARG 23 HH11 ARG 23 -10.479 -6.718 -5.396 675 2HH1 ARG 23 HH12 ARG 23 -11.036 -6.696 -7.040 676 1HH2 ARG 23 HH21 ARG 23 -7.845 -7.186 -8.425 677 2HH2 ARG 23 HH22 ARG 23 -9.535 -6.950 -8.766 678 H ARG 24 HN ARG 24 -7.421 -9.369 -1.745 679 HA ARG 24 HA ARG 24 -10.270 -9.604 -1.805 680 1HB ARG 24 HB2 ARG 24 -8.993 -11.087 -3.180 681 2HB ARG 24 HB1 ARG 24 -7.970 -11.562 -1.825 682 1HG ARG 24 HG2 ARG 24 -10.829 -12.092 -1.486 683 2HG ARG 24 HG1 ARG 24 -10.036 -13.013 -2.769 684 1HD ARG 24 HD2 ARG 24 -8.609 -14.077 -1.307 685 2HD ARG 24 HD1 ARG 24 -8.717 -12.790 -0.107 686 HE ARG 24 HE ARG 24 -11.235 -13.888 -0.240 687 1HH1 ARG 24 HH11 ARG 24 -8.022 -15.146 0.403 688 2HH1 ARG 24 HH12 ARG 24 -8.575 -16.267 1.617 689 1HH2 ARG 24 HH21 ARG 24 -11.943 -15.308 1.384 690 2HH2 ARG 24 HH22 ARG 24 -10.798 -16.331 2.207 691 H THR 25 HN THR 25 -7.683 -9.972 0.476 692 HA THR 25 HA THR 25 -9.132 -11.491 2.398 693 HB THR 25 HB THR 25 -6.622 -9.844 2.735 694 HG1 THR 25 HG1 THR 25 -6.616 -11.697 1.207 695 1HG2 THR 25 HG21 THR 25 -7.862 -11.958 4.497 696 2HG2 THR 25 HG22 THR 25 -7.642 -10.251 4.885 697 3HG2 THR 25 HG23 THR 25 -6.237 -11.306 4.707 698 H LEU 26 HN LEU 26 -8.438 -8.083 1.923 699 HA LEU 26 HA LEU 26 -9.700 -7.341 4.413 700 1HB LEU 26 HB2 LEU 26 -8.766 -5.577 2.165 701 2HB LEU 26 HB1 LEU 26 -9.254 -5.051 3.759 702 HG LEU 26 HG LEU 26 -7.085 -5.057 4.238 703 1HD1 LEU 26 HD11 LEU 26 -7.781 -7.041 5.477 704 2HD1 LEU 26 HD12 LEU 26 -6.083 -7.105 5.007 705 3HD1 LEU 26 HD13 LEU 26 -7.280 -8.053 4.118 706 1HD2 LEU 26 HD21 LEU 26 -6.451 -5.109 1.934 707 2HD2 LEU 26 HD22 LEU 26 -6.610 -6.865 1.902 708 3HD2 LEU 26 HD23 LEU 26 -5.352 -6.111 2.882 709 H GLY 27 HN GLY 27 -10.725 -7.985 1.256 710 1HA GLY 27 HA2 GLY 27 -12.924 -8.109 0.529 711 2HA GLY 27 HA1 GLY 27 -13.423 -7.222 1.960 712 H ILE 28 HN ILE 28 -10.877 -5.676 0.453 713 HA ILE 28 HA ILE 28 -12.582 -3.614 -0.662 714 HB ILE 28 HB ILE 28 -10.528 -2.397 -1.091 715 1HG1 ILE 28 HG12 ILE 28 -9.043 -4.861 -0.176 716 2HG1 ILE 28 HG11 ILE 28 -9.217 -4.348 -1.857 717 1HG2 ILE 28 HG21 ILE 28 -10.423 -3.759 1.594 718 2HG2 ILE 28 HG22 ILE 28 -11.390 -2.342 1.182 719 3HG2 ILE 28 HG23 ILE 28 -9.630 -2.240 1.173 720 1HD1 ILE 28 HD11 ILE 28 -7.076 -3.658 -1.067 721 2HD1 ILE 28 HD12 ILE 28 -7.794 -2.887 0.348 722 3HD1 ILE 28 HD13 ILE 28 -8.093 -2.229 -1.260 723 H ALA 29 HN ALA 29 -10.801 -2.905 -2.817 724 HA ALA 29 HA ALA 29 -10.811 -5.084 -4.668 725 1HB ALA 29 HB1 ALA 29 -12.808 -2.865 -5.086 726 2HB ALA 29 HB2 ALA 29 -13.202 -4.527 -4.647 727 3HB ALA 29 HB3 ALA 29 -12.464 -4.179 -6.212 728 H GLU 30 HN GLU 30 -10.406 -4.204 -6.931 729 HA GLU 30 HA GLU 30 -8.111 -2.515 -6.844 730 1HB GLU 30 HB2 GLU 30 -8.154 -2.855 -9.311 731 2HB GLU 30 HB1 GLU 30 -8.341 -4.376 -8.445 732 1HG GLU 30 HG2 GLU 30 -10.875 -3.952 -8.694 733 2HG GLU 30 HG1 GLU 30 -10.402 -2.810 -9.950 734 H LYS 31 HN LYS 31 -11.439 -2.196 -7.914 735 HA LYS 31 HA LYS 31 -11.149 0.555 -8.684 736 1HB LYS 31 HB2 LYS 31 -13.710 -0.956 -8.202 737 2HB LYS 31 HB1 LYS 31 -13.468 0.469 -9.199 738 1HG LYS 31 HG2 LYS 31 -12.037 -2.061 -9.848 739 2HG LYS 31 HG1 LYS 31 -13.728 -1.860 -10.308 740 1HD LYS 31 HD2 LYS 31 -12.557 -1.159 -12.192 741 2HD LYS 31 HD1 LYS 31 -12.943 0.351 -11.373 742 1HE LYS 31 HE2 LYS 31 -10.708 0.460 -10.454 743 2HE LYS 31 HE1 LYS 31 -10.318 -1.111 -11.151 744 1HZ LYS 31 HZ1 LYS 31 -9.415 0.561 -12.564 745 2HZ LYS 31 HZ2 LYS 31 -10.885 1.411 -12.613 746 3HZ LYS 31 HZ3 LYS 31 -10.759 -0.101 -13.368 747 H ASP 32 HN ASP 32 -11.003 -0.866 -5.793 748 HA ASP 32 HA ASP 32 -12.743 0.878 -4.336 749 1HB ASP 32 HB2 ASP 32 -12.331 -1.521 -3.725 750 2HB ASP 32 HB1 ASP 32 -10.697 -1.057 -3.319 751 H ALA 33 HN ALA 33 -11.336 1.589 -2.190 752 HA ALA 33 HA ALA 33 -9.080 3.161 -3.226 753 1HB ALA 33 HB1 ALA 33 -11.394 4.390 -1.696 754 2HB ALA 33 HB2 ALA 33 -11.064 4.618 -3.414 755 3HB ALA 33 HB3 ALA 33 -9.924 5.225 -2.206 756 H LEU 34 HN LEU 34 -7.638 3.772 -1.570 757 HA LEU 34 HA LEU 34 -8.060 2.289 0.923 758 1HB LEU 34 HB2 LEU 34 -5.637 2.403 -0.860 759 2HB LEU 34 HB1 LEU 34 -5.551 1.895 0.817 760 HG LEU 34 HG LEU 34 -7.403 0.546 -1.152 761 1HD1 LEU 34 HD11 LEU 34 -4.537 -0.172 -0.477 762 2HD1 LEU 34 HD12 LEU 34 -5.128 0.387 -2.042 763 3HD1 LEU 34 HD13 LEU 34 -5.655 -1.170 -1.405 764 1HD2 LEU 34 HD21 LEU 34 -6.144 -0.310 1.465 765 2HD2 LEU 34 HD22 LEU 34 -7.262 -1.264 0.484 766 3HD2 LEU 34 HD23 LEU 34 -7.812 0.230 1.247 767 H GLU 35 HN GLU 35 -7.725 3.424 2.652 768 HA GLU 35 HA GLU 35 -6.957 6.192 2.384 769 1HB GLU 35 HB2 GLU 35 -8.992 5.305 3.642 770 2HB GLU 35 HB1 GLU 35 -7.859 4.754 4.872 771 1HG GLU 35 HG2 GLU 35 -7.093 7.023 5.189 772 2HG GLU 35 HG1 GLU 35 -8.180 7.565 3.906 773 H ILE 36 HN ILE 36 -4.834 6.250 2.150 774 HA ILE 36 HA ILE 36 -3.131 4.505 3.735 775 HB ILE 36 HB ILE 36 -2.513 6.467 1.541 776 1HG1 ILE 36 HG12 ILE 36 -1.848 3.819 0.840 777 2HG1 ILE 36 HG11 ILE 36 -3.451 3.756 1.573 778 1HG2 ILE 36 HG21 ILE 36 -0.280 5.231 1.521 779 2HG2 ILE 36 HG22 ILE 36 -0.721 4.665 3.138 780 3HG2 ILE 36 HG23 ILE 36 -0.551 6.390 2.823 781 1HD1 ILE 36 HD11 ILE 36 -2.610 5.480 -0.740 782 2HD1 ILE 36 HD12 ILE 36 -4.201 5.501 0.027 783 3HD1 ILE 36 HD13 ILE 36 -3.637 4.047 -0.806 784 H TYR 37 HN TYR 37 -1.831 5.053 5.273 785 HA TYR 37 HA TYR 37 -1.293 7.864 5.989 786 1HB TYR 37 HB2 TYR 37 -2.031 5.628 7.914 787 2HB TYR 37 HB1 TYR 37 -1.456 7.223 8.382 788 HD1 TYR 37 HD1 TYR 37 -2.928 9.023 8.634 789 HD2 TYR 37 HD2 TYR 37 -4.296 5.440 6.793 790 HE1 TYR 37 HE1 TYR 37 -5.242 9.841 8.782 791 HE2 TYR 37 HE2 TYR 37 -6.614 6.253 6.924 792 HH TYR 37 HH TYR 37 -7.444 9.407 7.492 793 H VAL 38 HN VAL 38 0.529 7.589 7.891 794 HA VAL 38 HA VAL 38 2.266 5.327 7.365 795 HB VAL 38 HB VAL 38 3.024 8.140 6.643 796 1HG1 VAL 38 HG11 VAL 38 5.418 7.276 6.543 797 2HG1 VAL 38 HG12 VAL 38 4.863 5.985 7.618 798 3HG1 VAL 38 HG13 VAL 38 4.768 7.668 8.135 799 1HG2 VAL 38 HG21 VAL 38 3.552 5.497 5.311 800 2HG2 VAL 38 HG22 VAL 38 3.991 7.083 4.677 801 3HG2 VAL 38 HG23 VAL 38 2.293 6.645 4.861 802 H ASP 39 HN ASP 39 3.405 4.724 9.060 803 HA ASP 39 HA ASP 39 3.277 6.374 11.487 804 1HB ASP 39 HB2 ASP 39 2.246 4.215 11.831 805 2HB ASP 39 HB1 ASP 39 3.640 3.388 11.141 806 H ASP 40 HN ASP 40 5.022 7.533 11.696 807 HA ASP 40 HA ASP 40 7.129 8.318 11.612 808 1HB ASP 40 HB2 ASP 40 7.486 6.186 13.054 809 2HB ASP 40 HB1 ASP 40 8.220 5.513 11.590 810 H GLU 41 HN GLU 41 7.614 5.265 9.903 811 HA GLU 41 HA GLU 41 8.168 6.731 7.445 812 1HB GLU 41 HB2 GLU 41 10.278 5.479 7.142 813 2HB GLU 41 HB1 GLU 41 10.321 6.572 8.519 814 1HG GLU 41 HG2 GLU 41 10.002 4.757 10.056 815 2HG GLU 41 HG1 GLU 41 9.768 3.623 8.718 816 H LYS 42 HN LYS 42 6.239 4.534 8.659 817 HA LYS 42 HA LYS 42 6.509 2.855 6.278 818 1HB LYS 42 HB2 LYS 42 5.780 0.895 7.425 819 2HB LYS 42 HB1 LYS 42 7.092 1.598 8.358 820 1HG LYS 42 HG2 LYS 42 5.750 2.123 10.112 821 2HG LYS 42 HG1 LYS 42 4.328 2.366 9.096 822 1HD LYS 42 HD2 LYS 42 4.122 -0.039 8.781 823 2HD LYS 42 HD1 LYS 42 5.571 -0.303 9.753 824 1HE LYS 42 HE2 LYS 42 3.172 1.146 10.824 825 2HE LYS 42 HE1 LYS 42 3.307 -0.617 10.895 826 1HZ LYS 42 HZ1 LYS 42 4.099 0.365 12.938 827 2HZ LYS 42 HZ2 LYS 42 5.190 1.349 12.099 828 3HZ LYS 42 HZ3 LYS 42 5.404 -0.331 12.112 829 H ILE 43 HN ILE 43 4.610 1.912 5.440 830 HA ILE 43 HA ILE 43 2.610 4.020 5.334 831 HB ILE 43 HB ILE 43 3.053 1.665 3.494 832 1HG1 ILE 43 HG12 ILE 43 3.844 3.710 1.994 833 2HG1 ILE 43 HG11 ILE 43 4.237 4.400 3.565 834 1HG2 ILE 43 HG21 ILE 43 1.607 4.183 2.807 835 2HG2 ILE 43 HG22 ILE 43 0.790 2.831 3.591 836 3HG2 ILE 43 HG23 ILE 43 1.556 2.601 2.018 837 1HD1 ILE 43 HD11 ILE 43 5.669 2.488 4.048 838 2HD1 ILE 43 HD12 ILE 43 6.160 3.300 2.562 839 3HD1 ILE 43 HD13 ILE 43 5.263 1.783 2.484 840 H ILE 44 HN ILE 44 0.458 3.723 5.723 841 HA ILE 44 HA ILE 44 -0.412 1.063 6.668 842 HB ILE 44 HB ILE 44 -1.965 3.346 7.674 843 1HG1 ILE 44 HG12 ILE 44 0.306 4.340 7.787 844 2HG1 ILE 44 HG11 ILE 44 -0.413 4.093 9.370 845 1HG2 ILE 44 HG21 ILE 44 -1.862 2.061 9.761 846 2HG2 ILE 44 HG22 ILE 44 -0.701 0.959 9.022 847 3HG2 ILE 44 HG23 ILE 44 -2.345 1.056 8.395 848 1HD1 ILE 44 HD11 ILE 44 1.505 2.118 8.198 849 2HD1 ILE 44 HD12 ILE 44 1.055 2.357 9.890 850 3HD1 ILE 44 HD13 ILE 44 2.052 3.558 9.054 851 H LEU 45 HN LEU 45 -1.766 0.269 5.124 852 HA LEU 45 HA LEU 45 -3.516 2.170 3.706 853 1HB LEU 45 HB2 LEU 45 -2.433 -0.548 3.042 854 2HB LEU 45 HB1 LEU 45 -3.964 -0.046 2.335 855 HG LEU 45 HG LEU 45 -2.806 1.934 1.361 856 1HD1 LEU 45 HD11 LEU 45 -0.339 0.536 2.365 857 2HD1 LEU 45 HD12 LEU 45 -0.956 2.095 2.914 858 3HD1 LEU 45 HD13 LEU 45 -0.369 1.912 1.261 859 1HD2 LEU 45 HD21 LEU 45 -1.565 0.628 -0.352 860 2HD2 LEU 45 HD22 LEU 45 -3.184 0.015 -0.022 861 3HD2 LEU 45 HD23 LEU 45 -1.774 -0.808 0.649 862 H LYS 46 HN LYS 46 -5.383 2.374 4.836 863 HA LYS 46 HA LYS 46 -6.823 -0.135 5.477 864 1HB LYS 46 HB2 LYS 46 -7.407 2.718 6.306 865 2HB LYS 46 HB1 LYS 46 -8.396 1.324 6.724 866 1HG LYS 46 HG2 LYS 46 -6.367 0.376 7.878 867 2HG LYS 46 HG1 LYS 46 -5.602 1.950 7.633 868 1HD LYS 46 HD2 LYS 46 -8.225 1.544 9.051 869 2HD LYS 46 HD1 LYS 46 -6.663 1.680 9.866 870 1HE LYS 46 HE2 LYS 46 -6.350 3.898 8.983 871 2HE LYS 46 HE1 LYS 46 -7.825 3.764 8.026 872 1HZ LYS 46 HZ1 LYS 46 -9.091 3.586 10.087 873 2HZ LYS 46 HZ2 LYS 46 -8.228 5.043 10.018 874 3HZ LYS 46 HZ3 LYS 46 -7.668 3.770 10.994 875 H LYS 47 HN LYS 47 -9.126 -0.153 4.785 876 HA LYS 47 HA LYS 47 -9.390 0.827 2.122 877 1HB LYS 47 HB2 LYS 47 -11.734 0.136 2.221 878 2HB LYS 47 HB1 LYS 47 -10.682 -1.130 2.833 879 1HG LYS 47 HG2 LYS 47 -11.380 -0.801 5.037 880 2HG LYS 47 HG1 LYS 47 -12.086 0.781 4.670 881 1HD LYS 47 HD2 LYS 47 -13.845 -0.866 4.910 882 2HD LYS 47 HD1 LYS 47 -13.745 -0.345 3.226 883 1HE LYS 47 HE2 LYS 47 -12.246 -2.368 2.861 884 2HE LYS 47 HE1 LYS 47 -12.784 -2.916 4.447 885 1HZ LYS 47 HZ1 LYS 47 -15.104 -2.743 3.584 886 2HZ LYS 47 HZ2 LYS 47 -14.167 -3.924 2.817 887 3HZ LYS 47 HZ3 LYS 47 -14.461 -2.444 2.040 888 H TYR 48 HN TYR 48 -10.785 2.520 1.377 889 HA TYR 48 HA TYR 48 -10.424 4.890 2.796 890 1HB TYR 48 HB2 TYR 48 -11.701 5.943 1.073 891 2HB TYR 48 HB1 TYR 48 -10.788 4.633 0.331 892 HD1 TYR 48 HD1 TYR 48 -14.100 5.929 1.082 893 HD2 TYR 48 HD2 TYR 48 -11.954 2.563 -0.386 894 HE1 TYR 48 HE1 TYR 48 -16.172 5.033 0.113 895 HE2 TYR 48 HE2 TYR 48 -14.023 1.662 -1.357 896 HH TYR 48 HH TYR 48 -16.396 1.834 -1.129 897 H LYS 49 HN LYS 49 -11.992 6.313 3.778 898 HA LYS 49 HA LYS 49 -13.663 4.932 5.607 899 1HB LYS 49 HB2 LYS 49 -12.493 7.164 5.971 900 2HB LYS 49 HB1 LYS 49 -13.764 7.878 4.982 901 1HG LYS 49 HG2 LYS 49 -14.309 8.184 7.282 902 2HG LYS 49 HG1 LYS 49 -15.431 7.005 6.598 903 1HD LYS 49 HD2 LYS 49 -14.669 6.305 8.810 904 2HD LYS 49 HD1 LYS 49 -14.091 5.188 7.571 905 1HE LYS 49 HE2 LYS 49 -12.358 7.474 8.326 906 2HE LYS 49 HE1 LYS 49 -12.490 6.132 9.466 907 1HZ LYS 49 HZ1 LYS 49 -11.585 5.990 6.642 908 2HZ LYS 49 HZ2 LYS 49 -11.806 4.641 7.637 909 3HZ LYS 49 HZ3 LYS 49 -10.625 5.793 8.016 910 HA PRO 50 HA PRO 50 -17.003 4.794 2.665 911 1HB PRO 50 HB2 PRO 50 -18.289 2.716 3.714 912 2HB PRO 50 HB1 PRO 50 -16.684 2.502 3.008 913 1HG PRO 50 HG2 PRO 50 -17.464 2.727 5.885 914 2HG PRO 50 HG1 PRO 50 -16.297 1.633 5.120 915 1HD PRO 50 HD2 PRO 50 -15.665 4.018 6.400 916 2HD PRO 50 HD1 PRO 50 -14.621 3.173 5.244 917 H ASN 51 HN ASN 51 -16.909 6.375 5.335 918 HA ASN 51 HA ASN 51 -19.582 6.432 6.303 919 1HB ASN 51 HB2 ASN 51 -17.749 7.129 7.715 920 2HB ASN 51 HB1 ASN 51 -17.318 8.406 6.585 921 1HD2 ASN 51 HD21 ASN 51 -17.548 10.016 8.084 922 2HD2 ASN 51 HD22 ASN 51 -19.089 10.519 8.695 923 H MET 52 HN MET 52 -21.043 6.778 4.791 924 HA MET 52 HA MET 52 -20.832 9.211 3.179 925 1HB MET 52 HB2 MET 52 -22.721 8.326 1.896 926 2HB MET 52 HB1 MET 52 -21.401 7.168 1.959 927 1HG MET 52 HG2 MET 52 -22.577 5.913 3.689 928 2HG MET 52 HG1 MET 52 -23.901 7.075 3.631 929 1HE MET 52 HE1 MET 52 -25.283 6.530 -0.004 930 2HE MET 52 HE2 MET 52 -24.080 7.705 0.529 931 3HE MET 52 HE3 MET 52 -25.506 7.391 1.519 932 H THR 53 HN THR 53 -21.961 10.959 3.673 933 HA THR 53 HA THR 53 -23.995 10.683 5.774 934 HB THR 53 HB THR 53 -22.210 13.076 5.298 935 HG1 THR 53 HG1 THR 53 -22.058 10.948 7.201 936 1HG2 THR 53 HG21 THR 53 -23.025 13.792 7.510 937 2HG2 THR 53 HG22 THR 53 -24.095 12.391 7.560 938 3HG2 THR 53 HG23 THR 53 -24.342 13.645 6.346
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