NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2342 | 1bq0 | 4227 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT2 ALA 1 69.191 -13.286 2.180 2 2H ALA 1 HT1 ALA 1 69.997 -12.289 1.063 3 3H ALA 1 HT3 ALA 1 69.560 -11.677 2.582 4 HA ALA 1 HA ALA 1 68.007 -10.841 0.961 5 1HB ALA 1 HB3 ALA 1 68.589 -12.692 -0.627 6 2HB ALA 1 HB2 ALA 1 67.606 -13.786 0.343 7 3HB ALA 1 HB1 ALA 1 66.851 -12.430 -0.492 8 H LYS 2 HN LYS 2 68.110 -11.853 3.807 9 HA LYS 2 HA LYS 2 65.184 -12.433 4.151 10 1HB LYS 2 HB2 LYS 2 67.681 -13.379 5.562 11 2HB LYS 2 HB1 LYS 2 66.109 -13.464 6.357 12 1HG LYS 2 HG2 LYS 2 65.529 -15.282 5.158 13 2HG LYS 2 HG1 LYS 2 65.928 -14.467 3.645 14 1HD LYS 2 HD2 LYS 2 67.965 -15.457 3.507 15 2HD LYS 2 HD1 LYS 2 68.279 -15.250 5.230 16 1HE LYS 2 HE2 LYS 2 66.149 -17.209 4.620 17 2HE LYS 2 HE1 LYS 2 67.772 -17.678 4.074 18 1HZ LYS 2 HZ3 LYS 2 67.090 -16.672 6.788 19 2HZ LYS 2 HZ2 LYS 2 67.411 -18.294 6.397 20 3HZ LYS 2 HZ1 LYS 2 68.636 -17.125 6.258 21 H GLN 3 HN GLN 3 65.980 -9.774 3.928 22 HA GLN 3 HA GLN 3 65.941 -8.804 6.770 23 1HB GLN 3 HB2 GLN 3 67.284 -7.860 4.242 24 2HB GLN 3 HB1 GLN 3 66.954 -6.719 5.546 25 1HG GLN 3 HG2 GLN 3 69.010 -7.427 6.273 26 2HG GLN 3 HG1 GLN 3 68.050 -8.725 6.984 27 1HE2 GLN 3 HE22 GLN 3 70.227 -10.915 5.236 28 2HE2 GLN 3 HE21 GLN 3 69.754 -10.324 6.755 29 H ASP 4 HN ASP 4 64.184 -7.637 7.310 30 HA ASP 4 HA ASP 4 61.870 -7.344 5.754 31 1HB ASP 4 HB2 ASP 4 62.372 -7.048 8.264 32 2HB ASP 4 HB1 ASP 4 62.826 -5.393 7.855 33 H TYR 5 HN TYR 5 61.055 -4.778 5.519 34 HA TYR 5 HA TYR 5 63.182 -3.275 4.070 35 1HB TYR 5 HB2 TYR 5 60.744 -3.094 2.580 36 2HB TYR 5 HB1 TYR 5 62.297 -3.748 2.068 37 HD1 TYR 5 HD1 TYR 5 59.425 -4.739 4.278 38 HD2 TYR 5 HD2 TYR 5 62.300 -5.956 1.330 39 HE1 TYR 5 HE1 TYR 5 58.442 -7.014 4.260 40 HE2 TYR 5 HE2 TYR 5 61.317 -8.234 1.311 41 HH TYR 5 HH TYR 5 59.987 -9.672 2.797 42 H TYR 6 HN TYR 6 60.031 -3.282 5.660 43 HA TYR 6 HA TYR 6 59.482 -0.472 5.336 44 1HB TYR 6 HB2 TYR 6 57.559 -1.163 6.322 45 2HB TYR 6 HB1 TYR 6 58.247 -2.783 6.317 46 HD1 TYR 6 HD1 TYR 6 58.480 0.390 8.328 47 HD2 TYR 6 HD2 TYR 6 58.347 -3.904 8.353 48 HE1 TYR 6 HE1 TYR 6 58.510 0.399 10.804 49 HE2 TYR 6 HE2 TYR 6 58.373 -3.884 10.829 50 HH TYR 6 HH TYR 6 59.037 -1.023 12.645 51 H GLU 7 HN GLU 7 61.169 -2.454 7.696 52 HA GLU 7 HA GLU 7 61.775 -0.162 9.404 53 1HB GLU 7 HB2 GLU 7 61.826 -3.041 9.480 54 2HB GLU 7 HB1 GLU 7 63.406 -2.424 9.967 55 1HG GLU 7 HG2 GLU 7 60.952 -1.132 11.108 56 2HG GLU 7 HG1 GLU 7 61.461 -2.693 11.753 57 H ILE 8 HN ILE 8 63.227 -1.922 6.745 58 HA ILE 8 HA ILE 8 65.954 -1.408 7.038 59 HB ILE 8 HB ILE 8 64.029 -1.459 4.722 60 1HG1 ILE 8 HG12 ILE 8 66.250 -3.200 5.809 61 2HG1 ILE 8 HG11 ILE 8 64.541 -3.597 5.642 62 1HG2 ILE 8 HG21 ILE 8 65.885 0.176 4.210 63 2HG2 ILE 8 HG23 ILE 8 67.027 -1.148 4.442 64 3HG2 ILE 8 HG22 ILE 8 65.836 -1.226 3.144 65 1HD1 ILE 8 HD12 ILE 8 64.804 -3.420 3.150 66 2HD1 ILE 8 HD11 ILE 8 66.537 -3.195 3.396 67 3HD1 ILE 8 HD13 ILE 8 65.770 -4.711 3.865 68 H LEU 9 HN LEU 9 63.325 0.839 6.334 69 HA LEU 9 HA LEU 9 65.333 3.056 6.077 70 1HB LEU 9 HB2 LEU 9 62.521 3.765 5.703 71 2HB LEU 9 HB1 LEU 9 63.872 3.973 4.598 72 HG LEU 9 HG LEU 9 62.288 1.413 4.985 73 1HD1 LEU 9 HD13 LEU 9 62.365 3.454 2.754 74 2HD1 LEU 9 HD12 LEU 9 61.573 1.883 2.641 75 3HD1 LEU 9 HD11 LEU 9 60.994 3.081 3.798 76 1HD2 LEU 9 HD22 LEU 9 64.916 1.882 3.959 77 2HD2 LEU 9 HD21 LEU 9 64.003 0.373 3.956 78 3HD2 LEU 9 HD23 LEU 9 63.865 1.491 2.598 79 H GLY 10 HN GLY 10 64.416 1.649 8.626 80 1HA GLY 10 HA2 GLY 10 63.627 2.241 10.772 81 2HA GLY 10 HA1 GLY 10 64.366 3.805 10.408 82 H VAL 11 HN VAL 11 61.396 1.918 9.837 83 HA VAL 11 HA VAL 11 59.869 4.492 9.934 84 HB VAL 11 HB VAL 11 59.236 2.290 7.974 85 1HG1 VAL 11 HG11 VAL 11 58.100 4.752 8.618 86 2HG1 VAL 11 HG13 VAL 11 58.984 5.059 7.123 87 3HG1 VAL 11 HG12 VAL 11 57.761 3.788 7.181 88 1HG2 VAL 11 HG22 VAL 11 61.362 4.430 7.712 89 2HG2 VAL 11 HG21 VAL 11 61.533 2.694 7.448 90 3HG2 VAL 11 HG23 VAL 11 60.610 3.673 6.308 91 H SER 12 HN SER 12 57.478 2.836 9.091 92 HA SER 12 HA SER 12 57.046 1.223 11.571 93 1HB SER 12 HB2 SER 12 55.894 3.734 10.736 94 2HB SER 12 HB1 SER 12 54.635 2.505 10.835 95 HG SER 12 HG SER 12 55.297 2.071 12.945 96 H LYS 13 HN LYS 13 56.754 1.498 8.157 97 HA LYS 13 HA LYS 13 56.048 -0.116 6.585 98 1HB LYS 13 HB2 LYS 13 56.146 -2.201 7.419 99 2HB LYS 13 HB1 LYS 13 56.300 -1.479 9.016 100 1HG LYS 13 HG2 LYS 13 53.779 -1.433 9.165 101 2HG LYS 13 HG1 LYS 13 53.731 -2.345 7.655 102 1HD LYS 13 HD2 LYS 13 54.429 -4.282 8.646 103 2HD LYS 13 HD1 LYS 13 55.516 -3.440 9.752 104 1HE LYS 13 HE2 LYS 13 53.827 -3.036 11.320 105 2HE LYS 13 HE1 LYS 13 52.538 -3.156 10.107 106 1HZ LYS 13 HZ2 LYS 13 53.170 -5.513 9.804 107 2HZ LYS 13 HZ1 LYS 13 54.251 -5.370 11.107 108 3HZ LYS 13 HZ3 LYS 13 52.585 -5.185 11.365 109 H THR 14 HN THR 14 53.791 0.748 9.204 110 HA THR 14 HA THR 14 51.478 0.519 7.381 111 HB THR 14 HB THR 14 50.236 1.110 9.403 112 HG1 THR 14 HG1 THR 14 51.138 2.357 10.804 113 1HG2 THR 14 HG23 THR 14 51.709 -1.149 9.140 114 2HG2 THR 14 HG22 THR 14 52.363 -0.529 10.657 115 3HG2 THR 14 HG21 THR 14 50.635 -0.848 10.506 116 H ALA 15 HN ALA 15 53.918 2.741 8.192 117 HA ALA 15 HA ALA 15 52.691 5.274 8.148 118 1HB ALA 15 HB1 ALA 15 55.304 4.284 6.932 119 2HB ALA 15 HB3 ALA 15 54.937 5.970 7.296 120 3HB ALA 15 HB2 ALA 15 55.084 4.797 8.606 121 H GLU 16 HN GLU 16 53.772 6.539 5.935 122 HA GLU 16 HA GLU 16 52.652 5.240 3.513 123 1HB GLU 16 HB2 GLU 16 51.824 7.932 4.671 124 2HB GLU 16 HB1 GLU 16 51.341 7.341 3.078 125 1HG GLU 16 HG2 GLU 16 50.232 5.409 4.108 126 2HG GLU 16 HG1 GLU 16 50.748 5.947 5.707 127 H GLU 17 HN GLU 17 52.981 8.495 2.988 128 HA GLU 17 HA GLU 17 55.702 8.153 1.874 129 1HB GLU 17 HB2 GLU 17 53.305 9.776 1.427 130 2HB GLU 17 HB1 GLU 17 54.780 10.743 1.397 131 1HG GLU 17 HG2 GLU 17 54.949 8.172 -0.051 132 2HG GLU 17 HG1 GLU 17 53.836 9.348 -0.750 133 H ARG 18 HN ARG 18 53.924 10.087 4.228 134 HA ARG 18 HA ARG 18 55.578 12.057 5.046 135 1HB ARG 18 HB2 ARG 18 54.760 11.422 7.425 136 2HB ARG 18 HB1 ARG 18 53.544 11.738 6.190 137 1HG ARG 18 HG2 ARG 18 52.726 9.739 6.991 138 2HG ARG 18 HG1 ARG 18 53.834 9.096 5.785 139 1HD ARG 18 HD2 ARG 18 54.726 7.915 7.513 140 2HD ARG 18 HD1 ARG 18 55.473 9.453 7.994 141 HE ARG 18 HE ARG 18 53.197 8.200 9.306 142 1HH1 ARG 18 HH21 ARG 18 51.893 10.683 8.571 143 2HH1 ARG 18 HH22 ARG 18 52.403 11.801 9.792 144 1HH2 ARG 18 HH11 ARG 18 55.076 9.854 10.836 145 2HH2 ARG 18 HH12 ARG 18 54.205 11.333 11.071 146 H GLU 19 HN GLU 19 56.148 8.653 6.132 147 HA GLU 19 HA GLU 19 58.720 9.647 7.254 148 1HB GLU 19 HB2 GLU 19 56.833 7.694 8.017 149 2HB GLU 19 HB1 GLU 19 58.288 6.810 7.539 150 1HG GLU 19 HG2 GLU 19 59.567 7.728 9.194 151 2HG GLU 19 HG1 GLU 19 58.704 9.265 9.154 152 H ILE 20 HN ILE 20 57.422 7.417 4.849 153 HA ILE 20 HA ILE 20 59.939 6.352 4.062 154 HB ILE 20 HB ILE 20 57.172 6.314 3.294 155 1HG1 ILE 20 HG12 ILE 20 57.841 4.099 2.438 156 2HG1 ILE 20 HG11 ILE 20 59.534 4.561 2.610 157 1HG2 ILE 20 HG23 ILE 20 59.123 6.877 1.086 158 2HG2 ILE 20 HG22 ILE 20 57.818 5.730 0.796 159 3HG2 ILE 20 HG21 ILE 20 57.443 7.391 1.251 160 1HD1 ILE 20 HD13 ILE 20 57.956 5.008 5.042 161 2HD1 ILE 20 HD12 ILE 20 58.032 3.314 4.560 162 3HD1 ILE 20 HD11 ILE 20 59.519 4.215 4.847 163 H ARG 21 HN ARG 21 58.477 9.476 3.663 164 HA ARG 21 HA ARG 21 60.181 10.174 1.364 165 1HB ARG 21 HB2 ARG 21 58.800 12.059 1.202 166 2HB ARG 21 HB1 ARG 21 57.712 10.904 1.961 167 1HG ARG 21 HG2 ARG 21 58.285 11.823 4.182 168 2HG ARG 21 HG1 ARG 21 59.366 12.989 3.417 169 1HD ARG 21 HD2 ARG 21 56.356 12.794 3.029 170 2HD ARG 21 HD1 ARG 21 57.243 14.108 3.823 171 HE ARG 21 HE ARG 21 58.406 13.852 1.284 172 1HH1 ARG 21 HH21 ARG 21 56.690 16.144 2.575 173 2HH1 ARG 21 HH22 ARG 21 55.565 16.416 1.287 174 1HH2 ARG 21 HH11 ARG 21 56.352 13.481 -0.380 175 2HH2 ARG 21 HH12 ARG 21 55.373 14.910 -0.384 176 H LYS 22 HN LYS 22 60.262 10.409 4.798 177 HA LYS 22 HA LYS 22 62.537 12.328 4.703 178 1HB LYS 22 HB2 LYS 22 60.296 12.256 6.264 179 2HB LYS 22 HB1 LYS 22 61.405 11.317 7.265 180 1HG LYS 22 HG2 LYS 22 62.180 13.990 6.084 181 2HG LYS 22 HG1 LYS 22 61.389 13.854 7.654 182 1HD LYS 22 HD2 LYS 22 64.048 12.652 6.837 183 2HD LYS 22 HD1 LYS 22 63.772 13.910 8.043 184 1HE LYS 22 HE2 LYS 22 62.182 12.036 9.105 185 2HE LYS 22 HE1 LYS 22 63.307 10.964 8.249 186 1HZ LYS 22 HZ1 LYS 22 64.471 13.234 9.653 187 2HZ LYS 22 HZ3 LYS 22 63.861 11.988 10.628 188 3HZ LYS 22 HZ2 LYS 22 65.062 11.651 9.473 189 H ALA 23 HN ALA 23 61.495 9.077 5.315 190 HA ALA 23 HA ALA 23 63.990 8.205 6.619 191 1HB ALA 23 HB2 ALA 23 61.552 7.326 6.848 192 2HB ALA 23 HB1 ALA 23 61.864 6.489 5.327 193 3HB ALA 23 HB3 ALA 23 62.843 6.131 6.748 194 H TYR 24 HN TYR 24 62.416 7.800 3.435 195 HA TYR 24 HA TYR 24 64.417 6.223 2.170 196 1HB TYR 24 HB2 TYR 24 62.227 6.600 1.195 197 2HB TYR 24 HB1 TYR 24 62.490 8.343 1.172 198 HD1 TYR 24 HD1 TYR 24 64.524 9.208 -0.197 199 HD2 TYR 24 HD2 TYR 24 62.779 5.318 -0.703 200 HE1 TYR 24 HE1 TYR 24 65.544 9.042 -2.451 201 HE2 TYR 24 HE2 TYR 24 63.802 5.150 -2.955 202 HH TYR 24 HH TYR 24 64.665 6.592 -4.691 203 H LYS 25 HN LYS 25 63.986 9.752 2.347 204 HA LYS 25 HA LYS 25 66.433 10.365 0.899 205 1HB LYS 25 HB2 LYS 25 64.616 11.898 0.794 206 2HB LYS 25 HB1 LYS 25 64.403 11.882 2.545 207 1HG LYS 25 HG2 LYS 25 66.692 12.913 2.757 208 2HG LYS 25 HG1 LYS 25 66.716 13.085 1.002 209 1HD LYS 25 HD2 LYS 25 64.222 14.090 2.065 210 2HD LYS 25 HD1 LYS 25 65.585 14.875 2.865 211 1HE LYS 25 HE2 LYS 25 66.398 14.862 0.224 212 2HE LYS 25 HE1 LYS 25 64.652 15.154 0.091 213 1HZ LYS 25 HZ1 LYS 25 65.185 16.671 2.171 214 2HZ LYS 25 HZ3 LYS 25 66.703 16.755 1.421 215 3HZ LYS 25 HZ2 LYS 25 65.314 17.257 0.581 216 H ARG 26 HN ARG 26 65.475 10.261 4.351 217 HA ARG 26 HA ARG 26 67.926 11.403 5.355 218 1HB ARG 26 HB2 ARG 26 65.924 11.277 6.699 219 2HB ARG 26 HB1 ARG 26 65.869 9.521 6.537 220 1HG ARG 26 HG2 ARG 26 66.812 9.953 8.694 221 2HG ARG 26 HG1 ARG 26 68.158 9.473 7.659 222 1HD ARG 26 HD2 ARG 26 69.178 11.414 8.235 223 2HD ARG 26 HD1 ARG 26 67.909 12.274 7.340 224 HE ARG 26 HE ARG 26 67.397 11.419 10.153 225 1HH1 ARG 26 HH21 ARG 26 66.442 13.438 7.678 226 2HH1 ARG 26 HH22 ARG 26 66.335 14.876 8.638 227 1HH2 ARG 26 HH11 ARG 26 67.817 13.439 11.426 228 2HH2 ARG 26 HH12 ARG 26 67.114 14.877 10.762 229 H LEU 27 HN LEU 27 67.003 8.026 4.665 230 HA LEU 27 HA LEU 27 69.610 7.066 5.682 231 1HB LEU 27 HB2 LEU 27 66.975 6.068 5.314 232 2HB LEU 27 HB1 LEU 27 68.053 5.088 4.318 233 HG LEU 27 HG LEU 27 67.796 4.270 6.703 234 1HD1 LEU 27 HD13 LEU 27 69.779 3.763 5.245 235 2HD1 LEU 27 HD12 LEU 27 70.596 5.160 5.946 236 3HD1 LEU 27 HD11 LEU 27 70.165 3.787 6.966 237 1HD2 LEU 27 HD21 LEU 27 68.417 7.032 7.198 238 2HD2 LEU 27 HD23 LEU 27 67.998 5.780 8.366 239 3HD2 LEU 27 HD22 LEU 27 69.682 6.031 7.909 240 H ALA 28 HN ALA 28 68.014 7.626 2.572 241 HA ALA 28 HA ALA 28 69.987 6.162 1.019 242 1HB ALA 28 HB3 ALA 28 67.656 6.684 0.313 243 2HB ALA 28 HB2 ALA 28 68.091 8.391 0.249 244 3HB ALA 28 HB1 ALA 28 68.855 7.244 -0.851 245 H MET 29 HN MET 29 69.630 9.440 2.235 246 HA MET 29 HA MET 29 71.378 10.931 0.660 247 1HB MET 29 HB2 MET 29 70.085 11.483 2.799 248 2HB MET 29 HB1 MET 29 71.474 10.825 3.666 249 1HG MET 29 HG2 MET 29 72.548 12.781 3.422 250 2HG MET 29 HG1 MET 29 72.479 12.581 1.672 251 1HE MET 29 HE2 MET 29 72.682 14.893 3.471 252 2HE MET 29 HE1 MET 29 72.181 15.830 2.066 253 3HE MET 29 HE3 MET 29 71.321 16.003 3.602 254 H LYS 30 HN LYS 30 72.123 8.744 3.305 255 HA LYS 30 HA LYS 30 74.911 8.897 3.481 256 1HB LYS 30 HB2 LYS 30 72.692 7.150 4.127 257 2HB LYS 30 HB1 LYS 30 74.108 6.198 3.671 258 1HG LYS 30 HG2 LYS 30 74.781 6.515 5.815 259 2HG LYS 30 HG1 LYS 30 75.231 8.130 5.269 260 1HD LYS 30 HD2 LYS 30 72.454 7.479 6.273 261 2HD LYS 30 HD1 LYS 30 73.742 8.033 7.345 262 1HE LYS 30 HE2 LYS 30 73.948 9.900 5.382 263 2HE LYS 30 HE1 LYS 30 72.208 9.553 5.307 264 1HZ LYS 30 HZ1 LYS 30 73.642 9.983 7.865 265 2HZ LYS 30 HZ3 LYS 30 72.910 11.255 7.015 266 3HZ LYS 30 HZ2 LYS 30 71.964 9.970 7.596 267 H TYR 31 HN TYR 31 72.910 7.732 0.923 268 HA TYR 31 HA TYR 31 75.333 6.598 -0.450 269 1HB TYR 31 HB2 TYR 31 72.514 5.562 -0.765 270 2HB TYR 31 HB1 TYR 31 74.035 4.736 -1.127 271 HD1 TYR 31 HD1 TYR 31 75.706 4.669 1.005 272 HD2 TYR 31 HD2 TYR 31 71.421 4.904 1.187 273 HE1 TYR 31 HE1 TYR 31 75.754 3.723 3.298 274 HE2 TYR 31 HE2 TYR 31 71.468 3.956 3.481 275 HH TYR 31 HH TYR 31 73.750 3.980 5.431 276 H HIS 32 HN HIS 32 72.451 8.562 -0.698 277 HA HIS 32 HA HIS 32 71.576 8.833 -3.195 278 1HB HIS 32 HB2 HIS 32 72.298 10.627 -1.068 279 2HB HIS 32 HB1 HIS 32 72.602 11.418 -2.619 280 HD1 HIS 32 HD1 HIS 32 70.488 12.963 -2.095 281 HD2 HIS 32 HD2 HIS 32 69.632 8.915 -2.616 282 HE1 HIS 32 HE1 HIS 32 67.985 12.798 -2.443 283 HA PRO 33 HA PRO 33 75.562 8.496 -5.400 284 1HB PRO 33 HB2 PRO 33 74.371 7.652 -7.727 285 2HB PRO 33 HB1 PRO 33 74.789 6.564 -6.387 286 1HG PRO 33 HG2 PRO 33 72.165 7.845 -7.027 287 2HG PRO 33 HG1 PRO 33 72.518 6.163 -6.584 288 1HD PRO 33 HD2 PRO 33 71.585 7.870 -4.771 289 2HD PRO 33 HD1 PRO 33 72.839 6.683 -4.340 290 H ASP 34 HN ASP 34 72.560 10.173 -6.277 291 HA ASP 34 HA ASP 34 73.167 11.651 -8.527 292 1HB ASP 34 HB2 ASP 34 71.124 12.018 -7.319 293 2HB ASP 34 HB1 ASP 34 71.995 12.484 -5.857 294 H ARG 35 HN ARG 35 74.449 12.144 -5.264 295 HA ARG 35 HA ARG 35 76.407 14.143 -6.271 296 1HB ARG 35 HB2 ARG 35 76.409 14.865 -4.017 297 2HB ARG 35 HB1 ARG 35 74.732 14.414 -4.277 298 1HG ARG 35 HG2 ARG 35 75.126 12.235 -3.229 299 2HG ARG 35 HG1 ARG 35 76.842 12.598 -3.047 300 1HD ARG 35 HD2 ARG 35 75.790 13.049 -0.912 301 2HD ARG 35 HD1 ARG 35 76.139 14.624 -1.651 302 HE ARG 35 HE ARG 35 73.483 13.426 -2.211 303 1HH1 ARG 35 HH11 ARG 35 72.786 15.821 -2.850 304 2HH1 ARG 35 HH12 ARG 35 72.642 16.822 -1.444 305 1HH2 ARG 35 HH21 ARG 35 74.441 14.678 0.601 306 2HH2 ARG 35 HH22 ARG 35 73.571 16.172 0.510 307 H ASN 36 HN ASN 36 75.926 10.990 -4.895 308 HA ASN 36 HA ASN 36 78.794 10.540 -4.345 309 1HB ASN 36 HB2 ASN 36 76.141 9.239 -3.787 310 2HB ASN 36 HB1 ASN 36 77.613 8.279 -3.655 311 1HD2 ASN 36 HD22 ASN 36 78.673 9.778 -0.651 312 2HD2 ASN 36 HD21 ASN 36 78.995 8.633 -1.861 313 H GLN 37 HN GLN 37 78.187 10.836 -7.177 314 HA GLN 37 HA GLN 37 77.911 8.155 -8.313 315 1HB GLN 37 HB2 GLN 37 78.594 10.891 -9.394 316 2HB GLN 37 HB1 GLN 37 78.574 9.458 -10.421 317 1HG GLN 37 HG2 GLN 37 76.344 9.628 -10.614 318 2HG GLN 37 HG1 GLN 37 76.184 9.436 -8.868 319 1HE2 GLN 37 HE22 GLN 37 74.778 12.779 -9.917 320 2HE2 GLN 37 HE21 GLN 37 74.470 11.184 -10.410 321 H GLY 38 HN GLY 38 80.394 9.577 -6.652 322 1HA GLY 38 HA2 GLY 38 82.698 9.044 -8.251 323 2HA GLY 38 HA1 GLY 38 82.682 9.042 -6.481 324 H ASP 39 HN ASP 39 80.396 7.016 -6.735 325 HA ASP 39 HA ASP 39 81.996 4.597 -7.462 326 1HB ASP 39 HB2 ASP 39 81.577 5.467 -4.907 327 2HB ASP 39 HB1 ASP 39 80.148 4.459 -5.141 328 H LYS 40 HN LYS 40 78.813 6.039 -6.809 329 HA LYS 40 HA LYS 40 76.705 5.632 -7.773 330 1HB LYS 40 HB2 LYS 40 78.357 4.036 -9.653 331 2HB LYS 40 HB1 LYS 40 76.793 4.744 -10.009 332 1HG LYS 40 HG2 LYS 40 77.728 6.968 -9.699 333 2HG LYS 40 HG1 LYS 40 79.280 6.275 -9.236 334 1HD LYS 40 HD2 LYS 40 78.700 5.077 -11.692 335 2HD LYS 40 HD1 LYS 40 78.204 6.757 -11.903 336 1HE LYS 40 HE2 LYS 40 80.381 7.577 -11.343 337 2HE LYS 40 HE1 LYS 40 80.892 5.994 -10.723 338 1HZ LYS 40 HZ3 LYS 40 79.902 6.271 -13.488 339 2HZ LYS 40 HZ2 LYS 40 81.523 6.625 -13.125 340 3HZ LYS 40 HZ1 LYS 40 80.905 5.071 -12.831 341 H GLU 41 HN GLU 41 78.535 3.364 -6.302 342 HA GLU 41 HA GLU 41 77.193 0.884 -6.834 343 1HB GLU 41 HB2 GLU 41 78.287 0.216 -4.723 344 2HB GLU 41 HB1 GLU 41 79.396 1.172 -5.706 345 1HG GLU 41 HG2 GLU 41 78.859 3.181 -4.409 346 2HG GLU 41 HG1 GLU 41 77.689 2.269 -3.452 347 H ALA 42 HN ALA 42 76.141 3.736 -5.299 348 HA ALA 42 HA ALA 42 74.325 2.539 -3.351 349 1HB ALA 42 HB1 ALA 42 75.397 4.915 -3.484 350 2HB ALA 42 HB3 ALA 42 74.101 5.271 -4.626 351 3HB ALA 42 HB2 ALA 42 73.714 4.803 -2.971 352 H GLU 43 HN GLU 43 74.318 3.325 -6.725 353 HA GLU 43 HA GLU 43 71.701 3.654 -7.507 354 1HB GLU 43 HB2 GLU 43 73.666 3.489 -8.974 355 2HB GLU 43 HB1 GLU 43 73.814 1.770 -8.609 356 1HG GLU 43 HG2 GLU 43 71.864 1.217 -9.807 357 2HG GLU 43 HG1 GLU 43 71.250 2.870 -9.746 358 H ALA 44 HN ALA 44 73.195 0.695 -6.257 359 HA ALA 44 HA ALA 44 70.827 -0.986 -6.747 360 1HB ALA 44 HB2 ALA 44 73.594 -1.195 -5.775 361 2HB ALA 44 HB1 ALA 44 72.475 -2.208 -4.862 362 3HB ALA 44 HB3 ALA 44 72.610 -2.398 -6.609 363 H LYS 45 HN LYS 45 72.320 0.657 -3.922 364 HA LYS 45 HA LYS 45 70.681 -0.316 -1.886 365 1HB LYS 45 HB2 LYS 45 72.421 1.884 -2.337 366 2HB LYS 45 HB1 LYS 45 70.948 2.529 -1.597 367 1HG LYS 45 HG2 LYS 45 71.596 1.704 0.388 368 2HG LYS 45 HG1 LYS 45 71.564 0.074 -0.292 369 1HD LYS 45 HD2 LYS 45 73.891 1.534 -1.217 370 2HD LYS 45 HD1 LYS 45 73.836 1.486 0.546 371 1HE LYS 45 HE2 LYS 45 73.669 -0.937 0.542 372 2HE LYS 45 HE1 LYS 45 73.506 -0.959 -1.226 373 1HZ LYS 45 HZ1 LYS 45 75.788 0.440 -0.011 374 2HZ LYS 45 HZ3 LYS 45 75.844 -1.250 -0.142 375 3HZ LYS 45 HZ2 LYS 45 75.665 -0.298 -1.537 376 H PHE 46 HN PHE 46 69.811 1.892 -4.508 377 HA PHE 46 HA PHE 46 67.369 2.914 -3.449 378 1HB PHE 46 HB2 PHE 46 68.500 2.267 -6.159 379 2HB PHE 46 HB1 PHE 46 66.787 2.664 -6.050 380 HD1 PHE 46 HD1 PHE 46 68.748 4.174 -3.448 381 HD2 PHE 46 HD2 PHE 46 67.517 4.653 -7.537 382 HE1 PHE 46 HE1 PHE 46 69.311 6.585 -3.336 383 HE2 PHE 46 HE2 PHE 46 68.080 7.064 -7.423 384 HZ PHE 46 HZ PHE 46 68.976 8.032 -5.324 385 H LYS 47 HN LYS 47 68.262 -0.200 -4.777 386 HA LYS 47 HA LYS 47 65.644 -1.293 -4.964 387 1HB LYS 47 HB2 LYS 47 66.855 -3.227 -5.599 388 2HB LYS 47 HB1 LYS 47 67.996 -1.946 -5.991 389 1HG LYS 47 HG2 LYS 47 69.489 -2.882 -4.625 390 2HG LYS 47 HG1 LYS 47 68.397 -2.662 -3.260 391 1HD LYS 47 HD2 LYS 47 67.967 -4.896 -5.213 392 2HD LYS 47 HD1 LYS 47 69.119 -5.076 -3.888 393 1HE LYS 47 HE2 LYS 47 67.078 -4.133 -2.454 394 2HE LYS 47 HE1 LYS 47 66.139 -4.833 -3.788 395 1HZ LYS 47 HZ2 LYS 47 67.839 -6.781 -3.461 396 2HZ LYS 47 HZ1 LYS 47 67.931 -6.161 -1.881 397 3HZ LYS 47 HZ3 LYS 47 66.442 -6.683 -2.500 398 H GLU 48 HN GLU 48 67.597 -0.381 -2.366 399 HA GLU 48 HA GLU 48 66.528 -2.409 -0.543 400 1HB GLU 48 HB2 GLU 48 68.384 -0.051 -0.110 401 2HB GLU 48 HB1 GLU 48 68.039 -1.298 1.086 402 1HG GLU 48 HG2 GLU 48 69.051 -2.085 -1.632 403 2HG GLU 48 HG1 GLU 48 70.184 -1.522 -0.405 404 H ILE 49 HN ILE 49 66.213 1.023 -1.280 405 HA ILE 49 HA ILE 49 64.025 1.191 0.757 406 HB ILE 49 HB ILE 49 65.621 3.312 -0.698 407 1HG1 ILE 49 HG12 ILE 49 66.226 3.494 1.974 408 2HG1 ILE 49 HG11 ILE 49 66.097 1.745 1.740 409 1HG2 ILE 49 HG23 ILE 49 63.204 3.739 0.177 410 2HG2 ILE 49 HG22 ILE 49 63.965 3.720 1.768 411 3HG2 ILE 49 HG21 ILE 49 64.476 4.898 0.561 412 1HD1 ILE 49 HD13 ILE 49 67.444 2.396 -0.497 413 2HD1 ILE 49 HD12 ILE 49 68.027 3.671 0.574 414 3HD1 ILE 49 HD11 ILE 49 68.251 1.976 1.014 415 H LYS 50 HN LYS 50 64.934 2.076 -2.583 416 HA LYS 50 HA LYS 50 62.286 3.047 -3.174 417 1HB LYS 50 HB2 LYS 50 64.709 3.397 -4.260 418 2HB LYS 50 HB1 LYS 50 64.168 2.075 -5.295 419 1HG LYS 50 HG2 LYS 50 62.524 4.571 -4.808 420 2HG LYS 50 HG1 LYS 50 63.632 4.394 -6.170 421 1HD LYS 50 HD2 LYS 50 62.234 2.063 -6.359 422 2HD LYS 50 HD1 LYS 50 60.993 3.136 -5.711 423 1HE LYS 50 HE2 LYS 50 60.703 3.957 -7.804 424 2HE LYS 50 HE1 LYS 50 62.351 4.611 -7.727 425 1HZ LYS 50 HZ3 LYS 50 63.203 2.448 -8.399 426 2HZ LYS 50 HZ2 LYS 50 61.623 1.830 -8.496 427 3HZ LYS 50 HZ1 LYS 50 62.129 3.047 -9.567 428 H GLU 51 HN GLU 51 63.852 -0.093 -3.214 429 HA GLU 51 HA GLU 51 61.695 -1.260 -4.890 430 1HB GLU 51 HB2 GLU 51 63.630 -2.384 -5.382 431 2HB GLU 51 HB1 GLU 51 64.374 -1.832 -3.904 432 1HG GLU 51 HG2 GLU 51 64.216 -4.247 -3.808 433 2HG GLU 51 HG1 GLU 51 63.088 -3.563 -2.637 434 H ALA 52 HN ALA 52 62.724 -0.899 -1.571 435 HA ALA 52 HA ALA 52 60.687 -2.745 -0.477 436 1HB ALA 52 HB1 ALA 52 62.825 -0.899 0.622 437 2HB ALA 52 HB3 ALA 52 61.730 -1.790 1.673 438 3HB ALA 52 HB2 ALA 52 62.834 -2.663 0.610 439 H TYR 53 HN TYR 53 61.544 0.685 -0.055 440 HA TYR 53 HA TYR 53 59.053 1.448 1.156 441 1HB TYR 53 HB2 TYR 53 60.362 3.193 1.652 442 2HB TYR 53 HB1 TYR 53 61.645 2.422 0.751 443 HD1 TYR 53 HD2 TYR 53 60.799 2.755 -2.043 444 HD2 TYR 53 HD1 TYR 53 60.477 5.457 1.274 445 HE1 TYR 53 HE2 TYR 53 60.891 4.671 -3.599 446 HE2 TYR 53 HE1 TYR 53 60.575 7.379 -0.279 447 HH TYR 53 HH TYR 53 61.674 7.568 -2.914 448 H GLU 54 HN GLU 54 59.614 0.593 -2.024 449 HA GLU 54 HA GLU 54 58.102 2.635 -3.412 450 1HB GLU 54 HB2 GLU 54 59.268 1.404 -4.944 451 2HB GLU 54 HB1 GLU 54 59.303 -0.021 -3.909 452 1HG GLU 54 HG2 GLU 54 57.279 -0.829 -4.731 453 2HG GLU 54 HG1 GLU 54 56.709 0.775 -5.190 454 H VAL 55 HN VAL 55 57.282 -0.139 -1.468 455 HA VAL 55 HA VAL 55 54.417 0.168 -2.238 456 HB VAL 55 HB VAL 55 54.394 -2.081 -2.363 457 1HG1 VAL 55 HG11 VAL 55 56.874 -1.656 -2.928 458 2HG1 VAL 55 HG13 VAL 55 57.202 -2.322 -1.328 459 3HG1 VAL 55 HG12 VAL 55 56.382 -3.302 -2.542 460 1HG2 VAL 55 HG22 VAL 55 53.971 -1.982 0.139 461 2HG2 VAL 55 HG21 VAL 55 54.664 -3.490 -0.431 462 3HG2 VAL 55 HG23 VAL 55 55.689 -2.301 0.364 463 H LEU 56 HN LEU 56 56.563 1.039 0.123 464 HA LEU 56 HA LEU 56 55.100 0.558 2.542 465 1HB LEU 56 HB2 LEU 56 57.312 2.231 1.501 466 2HB LEU 56 HB1 LEU 56 56.576 2.778 3.013 467 HG LEU 56 HG LEU 56 57.632 -0.019 2.492 468 1HD1 LEU 56 HD11 LEU 56 59.096 2.271 3.002 469 2HD1 LEU 56 HD13 LEU 56 58.862 1.590 4.613 470 3HD1 LEU 56 HD12 LEU 56 59.624 0.625 3.349 471 1HD2 LEU 56 HD21 LEU 56 55.801 1.033 4.430 472 2HD2 LEU 56 HD23 LEU 56 56.438 -0.606 4.307 473 3HD2 LEU 56 HD22 LEU 56 57.300 0.605 5.256 474 H THR 57 HN THR 57 54.226 2.425 -0.112 475 HA THR 57 HA THR 57 52.742 4.427 1.538 476 HB THR 57 HB THR 57 53.383 5.848 -0.118 477 HG1 THR 57 HG1 THR 57 52.147 4.021 -1.898 478 1HG2 THR 57 HG23 THR 57 55.322 4.304 -0.448 479 2HG2 THR 57 HG22 THR 57 54.393 3.453 -1.682 480 3HG2 THR 57 HG21 THR 57 54.854 5.137 -1.930 481 H ASP 58 HN ASP 58 52.414 1.681 -0.575 482 HA ASP 58 HA ASP 58 49.468 2.064 -0.815 483 1HB ASP 58 HB2 ASP 58 51.043 1.566 -2.755 484 2HB ASP 58 HB1 ASP 58 51.281 -0.034 -2.043 485 H SER 59 HN SER 59 48.324 -0.257 -0.750 486 HA SER 59 HA SER 59 49.191 -1.588 1.795 487 1HB SER 59 HB2 SER 59 46.923 -1.699 2.358 488 2HB SER 59 HB1 SER 59 46.982 -0.181 1.467 489 HG SER 59 HG SER 59 45.429 -2.128 0.931 490 H GLN 60 HN GLN 60 47.420 -2.218 -1.258 491 HA GLN 60 HA GLN 60 47.271 -5.003 -1.205 492 1HB GLN 60 HB2 GLN 60 47.179 -4.795 -3.637 493 2HB GLN 60 HB1 GLN 60 46.377 -3.399 -2.913 494 1HG GLN 60 HG2 GLN 60 48.810 -2.358 -3.029 495 2HG GLN 60 HG1 GLN 60 49.017 -3.548 -4.315 496 1HE2 GLN 60 HE22 GLN 60 46.007 -0.789 -4.885 497 2HE2 GLN 60 HE21 GLN 60 46.254 -1.431 -3.333 498 H LYS 61 HN LYS 61 50.116 -2.994 -1.857 499 HA LYS 61 HA LYS 61 51.758 -5.248 -2.746 500 1HB LYS 61 HB2 LYS 61 52.618 -2.506 -1.798 501 2HB LYS 61 HB1 LYS 61 53.446 -3.561 -2.938 502 1HG LYS 61 HG2 LYS 61 51.777 -3.211 -4.618 503 2HG LYS 61 HG1 LYS 61 50.699 -2.414 -3.474 504 1HD LYS 61 HD2 LYS 61 51.685 -0.421 -3.850 505 2HD LYS 61 HD1 LYS 61 53.272 -1.096 -3.480 506 1HE LYS 61 HE2 LYS 61 53.001 -2.175 -5.901 507 2HE LYS 61 HE1 LYS 61 51.930 -0.780 -6.133 508 1HZ LYS 61 HZ1 LYS 61 53.708 0.622 -5.166 509 2HZ LYS 61 HZ3 LYS 61 54.739 -0.727 -5.164 510 3HZ LYS 61 HZ2 LYS 61 54.160 -0.104 -6.635 511 H ARG 62 HN ARG 62 51.302 -3.283 0.172 512 HA ARG 62 HA ARG 62 53.360 -4.122 1.835 513 1HB ARG 62 HB2 ARG 62 50.392 -3.789 2.392 514 2HB ARG 62 HB1 ARG 62 51.633 -3.826 3.645 515 1HG ARG 62 HG2 ARG 62 51.665 -1.867 1.336 516 2HG ARG 62 HG1 ARG 62 50.948 -1.500 2.904 517 1HD ARG 62 HD2 ARG 62 53.718 -2.600 2.954 518 2HD ARG 62 HD1 ARG 62 53.528 -0.938 2.360 519 HE ARG 62 HE ARG 62 52.931 -0.302 4.555 520 1HH1 ARG 62 HH11 ARG 62 53.861 -3.452 4.772 521 2HH1 ARG 62 HH12 ARG 62 52.824 -3.885 6.089 522 1HH2 ARG 62 HH21 ARG 62 50.988 -0.947 5.958 523 2HH2 ARG 62 HH22 ARG 62 51.197 -2.468 6.760 524 H ALA 63 HN ALA 63 50.665 -5.974 0.601 525 HA ALA 63 HA ALA 63 51.196 -8.264 2.404 526 1HB ALA 63 HB1 ALA 63 48.950 -7.210 1.312 527 2HB ALA 63 HB3 ALA 63 49.341 -8.400 0.070 528 3HB ALA 63 HB2 ALA 63 49.081 -8.917 1.736 529 H ALA 64 HN ALA 64 51.741 -7.179 -0.882 530 HA ALA 64 HA ALA 64 52.717 -9.798 -1.832 531 1HB ALA 64 HB1 ALA 64 51.430 -8.208 -3.246 532 2HB ALA 64 HB3 ALA 64 52.699 -7.003 -3.028 533 3HB ALA 64 HB2 ALA 64 53.038 -8.489 -3.915 534 H TYR 65 HN TYR 65 54.028 -6.535 -1.316 535 HA TYR 65 HA TYR 65 56.761 -7.192 -1.868 536 1HB TYR 65 HB2 TYR 65 56.781 -4.950 -1.802 537 2HB TYR 65 HB1 TYR 65 55.100 -4.976 -1.303 538 HD1 TYR 65 HD2 TYR 65 54.706 -5.351 1.280 539 HD2 TYR 65 HD1 TYR 65 58.403 -3.994 -0.431 540 HE1 TYR 65 HE2 TYR 65 55.379 -4.417 3.477 541 HE2 TYR 65 HE1 TYR 65 59.075 -3.058 1.762 542 HH TYR 65 HH TYR 65 58.123 -2.340 3.826 543 H ASP 66 HN ASP 66 54.866 -7.238 1.125 544 HA ASP 66 HA ASP 66 57.136 -7.382 2.852 545 1HB ASP 66 HB2 ASP 66 55.474 -7.864 4.545 546 2HB ASP 66 HB1 ASP 66 54.761 -6.724 3.405 547 H GLN 67 HN GLN 67 55.818 -9.748 0.740 548 HA GLN 67 HA GLN 67 57.432 -11.845 2.133 549 1HB GLN 67 HB2 GLN 67 54.503 -11.834 1.442 550 2HB GLN 67 HB1 GLN 67 55.383 -13.360 1.538 551 1HG GLN 67 HG2 GLN 67 56.197 -11.995 3.822 552 2HG GLN 67 HG1 GLN 67 54.481 -11.606 3.693 553 1HE2 GLN 67 HE22 GLN 67 54.966 -14.916 5.483 554 2HE2 GLN 67 HE21 GLN 67 55.641 -13.377 5.726 555 H TYR 68 HN TYR 68 55.649 -10.914 -0.818 556 HA TYR 68 HA TYR 68 57.070 -12.978 -2.389 557 1HB TYR 68 HB2 TYR 68 54.845 -10.999 -2.785 558 2HB TYR 68 HB1 TYR 68 55.640 -11.690 -4.205 559 HD1 TYR 68 HD1 TYR 68 55.625 -14.144 -4.587 560 HD2 TYR 68 HD2 TYR 68 53.428 -12.343 -1.364 561 HE1 TYR 68 HE1 TYR 68 54.306 -16.228 -4.322 562 HE2 TYR 68 HE2 TYR 68 52.108 -14.428 -1.098 563 HH TYR 68 HH TYR 68 52.478 -16.923 -1.640 564 H GLY 69 HN GLY 69 58.822 -11.037 -1.253 565 1HA GLY 69 HA2 GLY 69 60.388 -9.360 -1.823 566 2HA GLY 69 HA1 GLY 69 60.545 -10.342 -3.280 567 H HIS 70 HN HIS 70 59.983 -9.390 -5.184 568 HA HIS 70 HA HIS 70 58.364 -6.867 -5.043 569 1HB HIS 70 HB2 HIS 70 60.858 -6.840 -5.653 570 2HB HIS 70 HB1 HIS 70 60.377 -7.627 -7.157 571 HD1 HIS 70 HD1 HIS 70 57.793 -5.352 -5.965 572 HD2 HIS 70 HD2 HIS 70 61.238 -4.993 -8.287 573 HE1 HIS 70 HE1 HIS 70 57.602 -3.146 -7.193 574 H ALA 71 HN ALA 71 56.400 -8.100 -5.398 575 HA ALA 71 HA ALA 71 54.730 -9.050 -6.785 576 1HB ALA 71 HB1 ALA 71 56.436 -7.216 -8.276 577 2HB ALA 71 HB3 ALA 71 55.724 -8.437 -9.331 578 3HB ALA 71 HB2 ALA 71 54.685 -7.407 -8.346 579 H ALA 72 HN ALA 72 57.261 -10.600 -6.114 580 HA ALA 72 HA ALA 72 58.426 -12.153 -8.037 581 1HB ALA 72 HB3 ALA 72 57.055 -13.097 -5.498 582 2HB ALA 72 HB2 ALA 72 58.306 -13.992 -6.359 583 3HB ALA 72 HB1 ALA 72 58.687 -12.441 -5.612 584 H PHE 73 HN PHE 73 55.265 -13.108 -6.618 585 HA PHE 73 HA PHE 73 54.678 -14.555 -9.177 586 1HB PHE 73 HB2 PHE 73 54.542 -15.202 -6.378 587 2HB PHE 73 HB1 PHE 73 52.917 -15.282 -7.058 588 HD1 PHE 73 HD2 PHE 73 52.480 -16.712 -9.077 589 HD2 PHE 73 HD1 PHE 73 56.211 -16.820 -6.951 590 HE1 PHE 73 HE2 PHE 73 53.033 -18.875 -10.158 591 HE2 PHE 73 HE1 PHE 73 56.764 -18.982 -8.031 592 HZ PHE 73 HZ PHE 73 55.175 -20.009 -9.635 593 H GLU 74 HN GLU 74 53.676 -12.823 -10.321 594 HA GLU 74 HA GLU 74 51.002 -12.027 -9.264 595 1HB GLU 74 HB2 GLU 74 53.247 -10.430 -9.081 596 2HB GLU 74 HB1 GLU 74 52.515 -9.875 -10.586 597 1HG GLU 74 HG2 GLU 74 51.523 -8.551 -8.865 598 2HG GLU 74 HG1 GLU 74 50.306 -9.752 -9.302 599 H GLN 75 HN GLN 75 49.716 -12.878 -10.882 600 HA GLN 75 HA GLN 75 50.617 -12.738 -13.709 601 1HB GLN 75 HB2 GLN 75 49.614 -14.781 -12.528 602 2HB GLN 75 HB1 GLN 75 48.077 -13.916 -12.560 603 1HG GLN 75 HG2 GLN 75 49.085 -13.668 -15.163 604 2HG GLN 75 HG1 GLN 75 49.420 -15.340 -14.707 605 1HE2 GLN 75 HE22 GLN 75 45.468 -14.248 -14.373 606 2HE2 GLN 75 HE21 GLN 75 46.668 -13.211 -13.767 607 H GLY 76 HN GLY 76 47.764 -11.811 -11.753 608 1HA GLY 76 HA2 GLY 76 47.296 -9.588 -13.694 609 2HA GLY 76 HA1 GLY 76 45.955 -10.589 -13.135 610 H GLY 77 HN GLY 77 48.730 -9.163 -11.386 611 1HA GLY 77 HA2 GLY 77 46.968 -8.380 -9.190 612 2HA GLY 77 HA1 GLY 77 48.704 -8.078 -9.283 No H/Q in entry = 612 Start of MODEL 2 1 1H ALA 1 HT2 ALA 1 68.977 -12.577 9.595 2 2H ALA 1 HT1 ALA 1 69.870 -13.882 10.219 3 3H ALA 1 HT3 ALA 1 70.674 -12.570 9.506 4 HA ALA 1 HA ALA 1 70.727 -14.225 7.859 5 1HB ALA 1 HB2 ALA 1 68.261 -14.882 9.275 6 2HB ALA 1 HB1 ALA 1 68.065 -15.014 7.528 7 3HB ALA 1 HB3 ALA 1 69.324 -15.938 8.344 8 H LYS 2 HN LYS 2 67.449 -12.774 7.940 9 HA LYS 2 HA LYS 2 68.197 -11.183 5.509 10 1HB LYS 2 HB2 LYS 2 65.933 -11.720 4.659 11 2HB LYS 2 HB1 LYS 2 66.855 -13.193 4.969 12 1HG LYS 2 HG2 LYS 2 65.633 -12.659 7.411 13 2HG LYS 2 HG1 LYS 2 64.391 -12.255 6.226 14 1HD LYS 2 HD2 LYS 2 65.954 -14.806 5.932 15 2HD LYS 2 HD1 LYS 2 64.602 -14.733 7.063 16 1HE LYS 2 HE2 LYS 2 63.346 -15.270 5.221 17 2HE LYS 2 HE1 LYS 2 63.516 -13.548 4.823 18 1HZ LYS 2 HZ3 LYS 2 65.594 -15.530 4.114 19 2HZ LYS 2 HZ2 LYS 2 64.293 -15.195 3.074 20 3HZ LYS 2 HZ1 LYS 2 65.384 -13.965 3.499 21 H GLN 3 HN GLN 3 66.326 -9.441 5.175 22 HA GLN 3 HA GLN 3 65.171 -8.474 7.727 23 1HB GLN 3 HB2 GLN 3 67.377 -7.114 6.161 24 2HB GLN 3 HB1 GLN 3 66.375 -6.253 7.329 25 1HG GLN 3 HG2 GLN 3 68.095 -8.682 7.908 26 2HG GLN 3 HG1 GLN 3 68.436 -7.025 8.410 27 1HE2 GLN 3 HE22 GLN 3 66.670 -8.871 11.194 28 2HE2 GLN 3 HE21 GLN 3 68.068 -9.204 10.292 29 H ASP 4 HN ASP 4 63.191 -7.721 7.244 30 HA ASP 4 HA ASP 4 61.994 -7.512 4.737 31 1HB ASP 4 HB2 ASP 4 60.848 -7.472 6.901 32 2HB ASP 4 HB1 ASP 4 61.562 -5.903 7.272 33 H TYR 5 HN TYR 5 61.168 -5.288 3.796 34 HA TYR 5 HA TYR 5 63.570 -3.541 3.479 35 1HB TYR 5 HB2 TYR 5 61.488 -2.933 1.603 36 2HB TYR 5 HB1 TYR 5 63.074 -3.633 1.292 37 HD1 TYR 5 HD1 TYR 5 59.536 -4.419 2.101 38 HD2 TYR 5 HD2 TYR 5 63.339 -5.966 0.844 39 HE1 TYR 5 HE1 TYR 5 58.462 -6.571 1.506 40 HE2 TYR 5 HE2 TYR 5 62.267 -8.120 0.250 41 HH TYR 5 HH TYR 5 58.777 -8.643 0.789 42 H TYR 6 HN TYR 6 60.740 -3.557 5.232 43 HA TYR 6 HA TYR 6 60.008 -0.743 4.840 44 1HB TYR 6 HB2 TYR 6 58.569 -2.820 5.499 45 2HB TYR 6 HB1 TYR 6 59.162 -2.484 7.125 46 HD1 TYR 6 HD2 TYR 6 59.255 0.638 5.725 47 HD2 TYR 6 HD1 TYR 6 56.365 -2.314 6.922 48 HE1 TYR 6 HE2 TYR 6 57.546 2.412 5.984 49 HE2 TYR 6 HE1 TYR 6 54.662 -0.533 7.186 50 HH TYR 6 HH TYR 6 55.056 2.328 7.664 51 H GLU 7 HN GLU 7 62.050 -2.651 6.903 52 HA GLU 7 HA GLU 7 62.496 -0.442 8.812 53 1HB GLU 7 HB2 GLU 7 62.493 -3.158 8.986 54 2HB GLU 7 HB1 GLU 7 64.215 -2.867 8.743 55 1HG GLU 7 HG2 GLU 7 64.069 -1.140 10.605 56 2HG GLU 7 HG1 GLU 7 62.450 -1.757 10.937 57 H ILE 8 HN ILE 8 63.856 -1.779 5.908 58 HA ILE 8 HA ILE 8 66.570 -0.970 6.120 59 HB ILE 8 HB ILE 8 64.723 -2.048 4.226 60 1HG1 ILE 8 HG12 ILE 8 67.192 -2.316 3.086 61 2HG1 ILE 8 HG11 ILE 8 67.623 -1.972 4.762 62 1HG2 ILE 8 HG23 ILE 8 64.808 0.285 3.232 63 2HG2 ILE 8 HG22 ILE 8 66.528 0.018 2.946 64 3HG2 ILE 8 HG21 ILE 8 65.332 -1.007 2.151 65 1HD1 ILE 8 HD12 ILE 8 65.817 -3.745 5.358 66 2HD1 ILE 8 HD11 ILE 8 65.973 -4.246 3.675 67 3HD1 ILE 8 HD13 ILE 8 67.371 -4.312 4.747 68 H LEU 9 HN LEU 9 63.659 0.883 5.337 69 HA LEU 9 HA LEU 9 65.193 3.251 4.488 70 1HB LEU 9 HB2 LEU 9 62.269 2.644 5.004 71 2HB LEU 9 HB1 LEU 9 62.835 4.215 4.452 72 HG LEU 9 HG LEU 9 62.383 3.279 2.406 73 1HD1 LEU 9 HD11 LEU 9 65.107 2.107 3.027 74 2HD1 LEU 9 HD13 LEU 9 64.406 2.207 1.415 75 3HD1 LEU 9 HD12 LEU 9 64.778 3.681 2.305 76 1HD2 LEU 9 HD22 LEU 9 62.386 0.846 3.979 77 2HD2 LEU 9 HD21 LEU 9 61.510 1.211 2.494 78 3HD2 LEU 9 HD23 LEU 9 63.155 0.582 2.414 79 H GLY 10 HN GLY 10 65.305 2.044 7.359 80 1HA GLY 10 HA2 GLY 10 65.434 2.899 9.541 81 2HA GLY 10 HA1 GLY 10 65.672 4.470 8.770 82 H VAL 11 HN VAL 11 62.807 2.790 7.921 83 HA VAL 11 HA VAL 11 61.142 4.874 9.161 84 HB VAL 11 HB VAL 11 60.324 2.347 7.705 85 1HG1 VAL 11 HG11 VAL 11 59.052 4.977 8.373 86 2HG1 VAL 11 HG13 VAL 11 58.551 4.126 6.911 87 3HG1 VAL 11 HG12 VAL 11 58.383 3.349 8.486 88 1HG2 VAL 11 HG22 VAL 11 62.114 3.824 6.530 89 2HG2 VAL 11 HG21 VAL 11 60.665 3.390 5.626 90 3HG2 VAL 11 HG23 VAL 11 60.806 4.992 6.348 91 H SER 12 HN SER 12 59.071 4.008 10.273 92 HA SER 12 HA SER 12 59.876 2.119 12.395 93 1HB SER 12 HB2 SER 12 57.460 2.910 13.132 94 2HB SER 12 HB1 SER 12 58.833 4.000 13.298 95 HG SER 12 HG SER 12 56.734 4.615 12.082 96 H LYS 13 HN LYS 13 59.019 1.644 9.419 97 HA LYS 13 HA LYS 13 57.595 0.253 8.205 98 1HB LYS 13 HB2 LYS 13 58.160 -1.928 8.658 99 2HB LYS 13 HB1 LYS 13 59.351 -1.110 9.668 100 1HG LYS 13 HG2 LYS 13 57.731 -1.279 11.596 101 2HG LYS 13 HG1 LYS 13 56.682 -2.249 10.566 102 1HD LYS 13 HD2 LYS 13 57.966 -4.095 10.824 103 2HD LYS 13 HD1 LYS 13 59.457 -3.188 10.566 104 1HE LYS 13 HE2 LYS 13 59.475 -2.435 12.877 105 2HE LYS 13 HE1 LYS 13 57.880 -3.158 13.164 106 1HZ LYS 13 HZ1 LYS 13 60.072 -4.800 12.076 107 2HZ LYS 13 HZ3 LYS 13 59.987 -4.515 13.747 108 3HZ LYS 13 HZ2 LYS 13 58.699 -5.288 12.950 109 H THR 14 HN THR 14 56.386 1.971 10.305 110 HA THR 14 HA THR 14 53.706 0.697 10.323 111 HB THR 14 HB THR 14 53.520 1.533 12.724 112 HG1 THR 14 HG1 THR 14 55.142 2.922 12.971 113 1HG2 THR 14 HG22 THR 14 55.240 -0.691 11.764 114 2HG2 THR 14 HG21 THR 14 55.365 -0.285 13.476 115 3HG2 THR 14 HG23 THR 14 53.806 -0.738 12.788 116 H ALA 15 HN ALA 15 55.593 3.194 9.365 117 HA ALA 15 HA ALA 15 53.895 5.477 10.058 118 1HB ALA 15 HB3 ALA 15 56.570 4.987 9.487 119 2HB ALA 15 HB2 ALA 15 55.987 5.709 7.989 120 3HB ALA 15 HB1 ALA 15 55.827 6.586 9.510 121 H GLU 16 HN GLU 16 54.475 6.668 7.431 122 HA GLU 16 HA GLU 16 52.916 5.066 5.494 123 1HB GLU 16 HB2 GLU 16 52.088 7.877 6.281 124 2HB GLU 16 HB1 GLU 16 51.181 6.718 5.305 125 1HG GLU 16 HG2 GLU 16 51.157 5.211 7.368 126 2HG GLU 16 HG1 GLU 16 51.739 6.606 8.276 127 H GLU 17 HN GLU 17 52.691 8.194 4.536 128 HA GLU 17 HA GLU 17 55.126 8.006 2.868 129 1HB GLU 17 HB2 GLU 17 52.778 9.933 2.988 130 2HB GLU 17 HB1 GLU 17 54.044 9.978 1.759 131 1HG GLU 17 HG2 GLU 17 53.333 8.010 0.755 132 2HG GLU 17 HG1 GLU 17 52.602 7.396 2.237 133 H ARG 18 HN ARG 18 53.831 9.778 5.586 134 HA ARG 18 HA ARG 18 55.439 12.086 5.617 135 1HB ARG 18 HB2 ARG 18 55.018 11.944 8.113 136 2HB ARG 18 HB1 ARG 18 53.576 11.786 7.111 137 1HG ARG 18 HG2 ARG 18 53.266 9.983 8.527 138 2HG ARG 18 HG1 ARG 18 54.190 9.197 7.250 139 1HD ARG 18 HD2 ARG 18 55.402 8.530 9.127 140 2HD ARG 18 HD1 ARG 18 56.260 10.025 8.710 141 HE ARG 18 HE ARG 18 55.463 10.869 10.759 142 1HH1 ARG 18 HH21 ARG 18 54.066 7.938 10.756 143 2HH1 ARG 18 HH22 ARG 18 52.532 8.413 11.403 144 1HH2 ARG 18 HH11 ARG 18 53.116 11.808 10.998 145 2HH2 ARG 18 HH12 ARG 18 51.993 10.607 11.542 146 H GLU 19 HN GLU 19 56.322 8.791 6.666 147 HA GLU 19 HA GLU 19 58.967 9.882 7.506 148 1HB GLU 19 HB2 GLU 19 57.247 7.845 8.462 149 2HB GLU 19 HB1 GLU 19 58.686 7.036 7.831 150 1HG GLU 19 HG2 GLU 19 60.049 7.934 9.408 151 2HG GLU 19 HG1 GLU 19 59.229 9.495 9.362 152 H ILE 20 HN ILE 20 57.432 7.669 5.229 153 HA ILE 20 HA ILE 20 59.844 6.632 4.136 154 HB ILE 20 HB ILE 20 57.007 6.583 3.679 155 1HG1 ILE 20 HG12 ILE 20 57.517 4.404 2.806 156 2HG1 ILE 20 HG11 ILE 20 59.181 4.874 2.463 157 1HG2 ILE 20 HG21 ILE 20 58.699 6.978 1.194 158 2HG2 ILE 20 HG23 ILE 20 57.086 6.266 1.177 159 3HG2 ILE 20 HG22 ILE 20 57.307 7.938 1.694 160 1HD1 ILE 20 HD13 ILE 20 58.193 5.145 5.270 161 2HD1 ILE 20 HD12 ILE 20 58.570 3.530 4.675 162 3HD1 ILE 20 HD11 ILE 20 59.814 4.779 4.680 163 H ARG 21 HN ARG 21 58.335 9.742 3.970 164 HA ARG 21 HA ARG 21 59.738 10.528 1.505 165 1HB ARG 21 HB2 ARG 21 58.372 12.465 1.641 166 2HB ARG 21 HB1 ARG 21 57.362 11.197 2.333 167 1HG ARG 21 HG2 ARG 21 58.013 11.871 4.592 168 2HG ARG 21 HG1 ARG 21 59.105 13.091 3.937 169 1HD ARG 21 HD2 ARG 21 56.295 13.231 2.970 170 2HD ARG 21 HD1 ARG 21 56.563 13.672 4.669 171 HE ARG 21 HE ARG 21 58.609 14.875 3.075 172 1HH1 ARG 21 HH11 ARG 21 55.179 14.942 3.311 173 2HH1 ARG 21 HH12 ARG 21 55.063 16.659 3.120 174 1HH2 ARG 21 HH21 ARG 21 58.494 17.147 3.001 175 2HH2 ARG 21 HH22 ARG 21 56.938 17.907 2.949 176 H LYS 22 HN LYS 22 60.058 10.978 4.963 177 HA LYS 22 HA LYS 22 62.327 12.839 4.594 178 1HB LYS 22 HB2 LYS 22 60.558 13.313 6.271 179 2HB LYS 22 HB1 LYS 22 60.876 11.757 7.040 180 1HG LYS 22 HG2 LYS 22 63.376 12.746 7.058 181 2HG LYS 22 HG1 LYS 22 62.482 14.266 7.096 182 1HD LYS 22 HD2 LYS 22 62.979 13.387 9.381 183 2HD LYS 22 HD1 LYS 22 61.248 13.538 9.073 184 1HE LYS 22 HE2 LYS 22 60.912 11.273 9.148 185 2HE LYS 22 HE1 LYS 22 62.449 10.923 8.330 186 1HZ LYS 22 HZ2 LYS 22 62.245 11.968 11.103 187 2HZ LYS 22 HZ1 LYS 22 62.438 10.322 10.728 188 3HZ LYS 22 HZ3 LYS 22 63.650 11.435 10.310 189 H ALA 23 HN ALA 23 61.452 9.564 5.343 190 HA ALA 23 HA ALA 23 64.107 8.820 6.407 191 1HB ALA 23 HB1 ALA 23 61.794 7.832 6.981 192 2HB ALA 23 HB3 ALA 23 61.876 7.022 5.417 193 3HB ALA 23 HB2 ALA 23 63.079 6.670 6.657 194 H TYR 24 HN TYR 24 62.197 8.154 3.435 195 HA TYR 24 HA TYR 24 64.021 6.631 1.971 196 1HB TYR 24 HB2 TYR 24 61.868 7.156 1.068 197 2HB TYR 24 HB1 TYR 24 62.148 8.889 1.222 198 HD1 TYR 24 HD1 TYR 24 64.039 9.932 -0.178 199 HD2 TYR 24 HD2 TYR 24 62.421 6.026 -0.935 200 HE1 TYR 24 HE1 TYR 24 64.953 10.001 -2.480 201 HE2 TYR 24 HE2 TYR 24 63.336 6.095 -3.237 202 HH TYR 24 HH TYR 24 65.626 7.800 -4.254 203 H LYS 25 HN LYS 25 63.936 10.138 2.466 204 HA LYS 25 HA LYS 25 66.414 10.560 0.930 205 1HB LYS 25 HB2 LYS 25 64.272 12.164 2.252 206 2HB LYS 25 HB1 LYS 25 65.845 12.938 2.052 207 1HG LYS 25 HG2 LYS 25 65.570 11.857 -0.408 208 2HG LYS 25 HG1 LYS 25 63.870 12.100 -0.008 209 1HD LYS 25 HD2 LYS 25 64.198 14.446 0.357 210 2HD LYS 25 HD1 LYS 25 65.953 14.272 0.305 211 1HE LYS 25 HE2 LYS 25 64.024 13.889 -2.012 212 2HE LYS 25 HE1 LYS 25 65.261 15.149 -1.847 213 1HZ LYS 25 HZ1 LYS 25 66.777 13.059 -1.443 214 2HZ LYS 25 HZ3 LYS 25 65.589 12.285 -2.375 215 3HZ LYS 25 HZ2 LYS 25 66.443 13.606 -3.016 216 H ARG 26 HN ARG 26 65.305 10.682 4.349 217 HA ARG 26 HA ARG 26 67.861 11.559 5.408 218 1HB ARG 26 HB2 ARG 26 65.825 11.761 6.692 219 2HB ARG 26 HB1 ARG 26 65.510 10.032 6.559 220 1HG ARG 26 HG2 ARG 26 68.143 10.548 7.678 221 2HG ARG 26 HG1 ARG 26 66.872 11.305 8.636 222 1HD ARG 26 HD2 ARG 26 65.643 9.055 8.530 223 2HD ARG 26 HD1 ARG 26 67.170 8.378 7.933 224 HE ARG 26 HE ARG 26 67.618 10.028 10.261 225 1HH1 ARG 26 HH21 ARG 26 65.418 7.586 10.184 226 2HH1 ARG 26 HH22 ARG 26 66.282 6.493 11.212 227 1HH2 ARG 26 HH11 ARG 26 69.209 8.351 11.173 228 2HH2 ARG 26 HH12 ARG 26 68.428 6.926 11.772 229 H LEU 27 HN LEU 27 66.520 8.366 4.644 230 HA LEU 27 HA LEU 27 68.851 6.997 5.846 231 1HB LEU 27 HB2 LEU 27 66.138 6.418 5.195 232 2HB LEU 27 HB1 LEU 27 67.153 5.309 4.272 233 HG LEU 27 HG LEU 27 66.633 4.361 6.484 234 1HD1 LEU 27 HD12 LEU 27 69.049 4.388 5.287 235 2HD1 LEU 27 HD11 LEU 27 69.479 5.143 6.821 236 3HD1 LEU 27 HD13 LEU 27 68.747 3.539 6.803 237 1HD2 LEU 27 HD22 LEU 27 66.341 6.550 7.646 238 2HD2 LEU 27 HD21 LEU 27 67.424 5.467 8.521 239 3HD2 LEU 27 HD23 LEU 27 68.086 6.794 7.567 240 H ALA 28 HN ALA 28 67.750 8.089 2.702 241 HA ALA 28 HA ALA 28 69.451 6.340 1.132 242 1HB ALA 28 HB1 ALA 28 68.038 8.964 0.678 243 2HB ALA 28 HB3 ALA 28 69.008 8.196 -0.579 244 3HB ALA 28 HB2 ALA 28 67.590 7.370 0.071 245 H MET 29 HN MET 29 69.855 9.327 2.874 246 HA MET 29 HA MET 29 72.066 10.547 1.701 247 1HB MET 29 HB2 MET 29 70.787 11.099 3.810 248 2HB MET 29 HB1 MET 29 71.739 9.856 4.621 249 1HG MET 29 HG2 MET 29 73.351 11.387 4.967 250 2HG MET 29 HG1 MET 29 73.597 11.447 3.221 251 1HE MET 29 HE2 MET 29 74.389 13.595 3.002 252 2HE MET 29 HE1 MET 29 73.632 15.125 3.438 253 3HE MET 29 HE3 MET 29 74.356 14.104 4.688 254 H LYS 30 HN LYS 30 71.979 7.807 3.913 255 HA LYS 30 HA LYS 30 74.694 7.146 4.180 256 1HB LYS 30 HB2 LYS 30 72.027 5.966 4.385 257 2HB LYS 30 HB1 LYS 30 73.245 4.771 3.930 258 1HG LYS 30 HG2 LYS 30 73.670 4.661 6.159 259 2HG LYS 30 HG1 LYS 30 74.568 6.155 5.884 260 1HD LYS 30 HD2 LYS 30 71.961 7.048 6.134 261 2HD LYS 30 HD1 LYS 30 72.041 5.740 7.316 262 1HE LYS 30 HE2 LYS 30 73.023 7.257 8.700 263 2HE LYS 30 HE1 LYS 30 74.457 7.104 7.665 264 1HZ LYS 30 HZ3 LYS 30 72.190 8.857 6.930 265 2HZ LYS 30 HZ2 LYS 30 73.458 9.418 7.910 266 3HZ LYS 30 HZ1 LYS 30 73.776 8.879 6.330 267 H TYR 31 HN TYR 31 72.593 6.966 1.451 268 HA TYR 31 HA TYR 31 74.644 5.358 -0.045 269 1HB TYR 31 HB2 TYR 31 71.713 5.579 -0.734 270 2HB TYR 31 HB1 TYR 31 72.852 4.306 -1.181 271 HD1 TYR 31 HD2 TYR 31 74.180 3.601 1.290 272 HD2 TYR 31 HD1 TYR 31 70.065 4.645 0.638 273 HE1 TYR 31 HE2 TYR 31 73.534 2.307 3.304 274 HE2 TYR 31 HE1 TYR 31 69.417 3.353 2.653 275 HH TYR 31 HH TYR 31 71.404 1.129 4.126 276 H HIS 32 HN HIS 32 72.674 8.259 -0.015 277 HA HIS 32 HA HIS 32 72.451 9.188 -2.559 278 1HB HIS 32 HB2 HIS 32 72.899 10.259 0.064 279 2HB HIS 32 HB1 HIS 32 73.782 11.243 -1.108 280 HD1 HIS 32 HD1 HIS 32 70.422 9.482 -1.500 281 HD2 HIS 32 HD2 HIS 32 72.029 13.327 -1.627 282 HE1 HIS 32 HE1 HIS 32 68.544 11.020 -2.218 283 HA PRO 33 HA PRO 33 76.210 9.319 -4.779 284 1HB PRO 33 HB2 PRO 33 76.066 11.837 -5.902 285 2HB PRO 33 HB1 PRO 33 75.103 10.453 -6.455 286 1HG PRO 33 HG2 PRO 33 74.344 12.630 -4.547 287 2HG PRO 33 HG1 PRO 33 73.443 11.994 -5.940 288 1HD PRO 33 HD2 PRO 33 72.828 11.173 -3.505 289 2HD PRO 33 HD1 PRO 33 72.907 9.998 -4.840 290 H ASP 34 HN ASP 34 77.747 11.791 -5.235 291 HA ASP 34 HA ASP 34 79.393 13.110 -4.127 292 1HB ASP 34 HB2 ASP 34 77.114 13.064 -2.455 293 2HB ASP 34 HB1 ASP 34 78.463 12.632 -1.403 294 H ARG 35 HN ARG 35 78.379 10.542 -1.880 295 HA ARG 35 HA ARG 35 81.146 9.572 -1.560 296 1HB ARG 35 HB2 ARG 35 80.110 8.362 0.253 297 2HB ARG 35 HB1 ARG 35 79.379 9.964 0.261 298 1HG ARG 35 HG2 ARG 35 77.492 9.046 -1.123 299 2HG ARG 35 HG1 ARG 35 78.198 7.438 -0.950 300 1HD ARG 35 HD2 ARG 35 77.753 9.009 1.562 301 2HD ARG 35 HD1 ARG 35 76.335 8.304 0.764 302 HE ARG 35 HE ARG 35 77.351 6.101 0.984 303 1HH1 ARG 35 HH21 ARG 35 79.476 8.603 2.005 304 2HH1 ARG 35 HH22 ARG 35 80.286 7.621 3.176 305 1HH2 ARG 35 HH11 ARG 35 78.261 4.858 2.667 306 2HH2 ARG 35 HH12 ARG 35 79.603 5.506 3.550 307 H ASN 36 HN ASN 36 78.058 8.798 -2.991 308 HA ASN 36 HA ASN 36 78.793 6.053 -3.782 309 1HB ASN 36 HB2 ASN 36 76.434 7.836 -3.608 310 2HB ASN 36 HB1 ASN 36 76.431 6.750 -4.993 311 1HD2 ASN 36 HD22 ASN 36 75.282 4.119 -3.003 312 2HD2 ASN 36 HD21 ASN 36 75.154 5.006 -4.444 313 H GLN 37 HN GLN 37 78.527 9.259 -5.157 314 HA GLN 37 HA GLN 37 79.334 10.071 -7.209 315 1HB GLN 37 HB2 GLN 37 79.988 7.231 -7.975 316 2HB GLN 37 HB1 GLN 37 80.788 8.711 -8.497 317 1HG GLN 37 HG2 GLN 37 80.930 8.617 -5.647 318 2HG GLN 37 HG1 GLN 37 81.448 7.048 -6.266 319 1HE2 GLN 37 HE22 GLN 37 84.053 10.014 -6.443 320 2HE2 GLN 37 HE21 GLN 37 82.745 9.917 -5.365 321 H GLY 38 HN GLY 38 76.867 10.197 -7.150 322 1HA GLY 38 HA2 GLY 38 74.949 10.197 -8.498 323 2HA GLY 38 HA1 GLY 38 75.890 9.373 -9.743 324 H ASP 39 HN ASP 39 76.620 7.030 -8.710 325 HA ASP 39 HA ASP 39 74.329 5.778 -7.308 326 1HB ASP 39 HB2 ASP 39 75.073 5.282 -10.193 327 2HB ASP 39 HB1 ASP 39 74.061 4.174 -9.266 328 H LYS 40 HN LYS 40 75.887 3.562 -9.297 329 HA LYS 40 HA LYS 40 77.476 1.905 -8.894 330 1HB LYS 40 HB2 LYS 40 78.443 4.332 -7.523 331 2HB LYS 40 HB1 LYS 40 79.283 2.829 -7.169 332 1HG LYS 40 HG2 LYS 40 80.390 3.062 -9.101 333 2HG LYS 40 HG1 LYS 40 78.857 2.874 -9.951 334 1HD LYS 40 HD2 LYS 40 78.783 5.502 -9.049 335 2HD LYS 40 HD1 LYS 40 80.462 5.283 -9.546 336 1HE LYS 40 HE2 LYS 40 79.396 4.160 -11.680 337 2HE LYS 40 HE1 LYS 40 77.963 5.097 -11.209 338 1HZ LYS 40 HZ1 LYS 40 80.704 6.221 -11.450 339 2HZ LYS 40 HZ3 LYS 40 79.508 6.362 -12.644 340 3HZ LYS 40 HZ2 LYS 40 79.278 7.085 -11.124 341 H GLU 41 HN GLU 41 77.355 3.436 -5.708 342 HA GLU 41 HA GLU 41 76.854 0.777 -4.482 343 1HB GLU 41 HB2 GLU 41 78.515 2.159 -3.431 344 2HB GLU 41 HB1 GLU 41 77.456 3.570 -3.463 345 1HG GLU 41 HG2 GLU 41 76.325 2.923 -1.596 346 2HG GLU 41 HG1 GLU 41 76.352 1.220 -2.051 347 H ALA 42 HN ALA 42 75.087 3.471 -5.574 348 HA ALA 42 HA ALA 42 72.839 3.087 -3.703 349 1HB ALA 42 HB3 ALA 42 73.785 5.024 -5.701 350 2HB ALA 42 HB2 ALA 42 72.045 4.754 -5.778 351 3HB ALA 42 HB1 ALA 42 72.788 5.294 -4.272 352 H GLU 43 HN GLU 43 74.013 1.762 -6.631 353 HA GLU 43 HA GLU 43 71.661 1.240 -8.097 354 1HB GLU 43 HB2 GLU 43 74.041 0.816 -8.744 355 2HB GLU 43 HB1 GLU 43 74.066 -0.551 -7.629 356 1HG GLU 43 HG2 GLU 43 71.753 -0.720 -9.357 357 2HG GLU 43 HG1 GLU 43 73.224 -0.575 -10.321 358 H ALA 44 HN ALA 44 73.115 -0.708 -5.453 359 HA ALA 44 HA ALA 44 70.756 -2.497 -5.440 360 1HB ALA 44 HB2 ALA 44 73.156 -3.237 -5.157 361 2HB ALA 44 HB1 ALA 44 73.186 -2.375 -3.618 362 3HB ALA 44 HB3 ALA 44 72.100 -3.748 -3.839 363 H LYS 45 HN LYS 45 71.974 0.293 -3.700 364 HA LYS 45 HA LYS 45 70.126 -0.166 -1.447 365 1HB LYS 45 HB2 LYS 45 72.520 1.287 -1.943 366 2HB LYS 45 HB1 LYS 45 71.275 2.462 -1.493 367 1HG LYS 45 HG2 LYS 45 71.430 1.810 0.648 368 2HG LYS 45 HG1 LYS 45 70.971 0.171 0.180 369 1HD LYS 45 HD2 LYS 45 73.709 0.725 -0.586 370 2HD LYS 45 HD1 LYS 45 73.477 0.994 1.143 371 1HE LYS 45 HE2 LYS 45 72.249 -1.286 1.150 372 2HE LYS 45 HE1 LYS 45 73.007 -1.541 -0.436 373 1HZ LYS 45 HZ3 LYS 45 74.682 -0.492 1.718 374 2HZ LYS 45 HZ2 LYS 45 74.261 -2.135 1.798 375 3HZ LYS 45 HZ1 LYS 45 75.090 -1.533 0.443 376 H PHE 46 HN PHE 46 70.411 1.955 -4.303 377 HA PHE 46 HA PHE 46 68.224 3.689 -3.760 378 1HB PHE 46 HB2 PHE 46 69.772 3.991 -5.639 379 2HB PHE 46 HB1 PHE 46 69.257 2.460 -6.344 380 HD1 PHE 46 HD1 PHE 46 67.020 4.938 -4.718 381 HD2 PHE 46 HD2 PHE 46 68.392 3.263 -8.428 382 HE1 PHE 46 HE1 PHE 46 65.194 6.107 -5.923 383 HE2 PHE 46 HE2 PHE 46 66.568 4.435 -9.632 384 HZ PHE 46 HZ PHE 46 64.968 5.855 -8.379 385 H LYS 47 HN LYS 47 68.387 0.347 -4.796 386 HA LYS 47 HA LYS 47 65.570 0.137 -5.376 387 1HB LYS 47 HB2 LYS 47 66.260 -1.937 -6.138 388 2HB LYS 47 HB1 LYS 47 67.881 -1.304 -5.916 389 1HG LYS 47 HG2 LYS 47 68.298 -2.677 -4.172 390 2HG LYS 47 HG1 LYS 47 66.693 -2.483 -3.481 391 1HD LYS 47 HD2 LYS 47 66.224 -4.527 -4.270 392 2HD LYS 47 HD1 LYS 47 66.220 -3.795 -5.874 393 1HE LYS 47 HE2 LYS 47 68.247 -4.697 -6.429 394 2HE LYS 47 HE1 LYS 47 68.900 -4.469 -4.794 395 1HZ LYS 47 HZ2 LYS 47 67.330 -6.238 -4.054 396 2HZ LYS 47 HZ1 LYS 47 66.980 -6.551 -5.687 397 3HZ LYS 47 HZ3 LYS 47 68.550 -6.795 -5.096 398 H GLU 48 HN GLU 48 67.819 -0.701 -2.733 399 HA GLU 48 HA GLU 48 65.878 -1.589 -0.881 400 1HB GLU 48 HB2 GLU 48 68.486 -0.068 -0.559 401 2HB GLU 48 HB1 GLU 48 67.610 -0.773 0.800 402 1HG GLU 48 HG2 GLU 48 67.905 -2.717 -1.325 403 2HG GLU 48 HG1 GLU 48 69.479 -2.071 -0.858 404 H ILE 49 HN ILE 49 66.543 1.511 -2.246 405 HA ILE 49 HA ILE 49 65.013 2.927 -0.154 406 HB ILE 49 HB ILE 49 66.346 3.831 -2.726 407 1HG1 ILE 49 HG12 ILE 49 68.255 3.495 -1.534 408 2HG1 ILE 49 HG11 ILE 49 67.767 4.932 -0.642 409 1HG2 ILE 49 HG21 ILE 49 64.421 5.095 -1.216 410 2HG2 ILE 49 HG23 ILE 49 65.922 5.771 -0.585 411 3HG2 ILE 49 HG22 ILE 49 65.556 5.891 -2.307 412 1HD1 ILE 49 HD11 ILE 49 66.445 3.353 0.878 413 2HD1 ILE 49 HD13 ILE 49 67.344 2.043 0.114 414 3HD1 ILE 49 HD12 ILE 49 68.201 3.291 1.015 415 H LYS 50 HN LYS 50 64.932 3.075 -3.712 416 HA LYS 50 HA LYS 50 62.091 3.691 -3.605 417 1HB LYS 50 HB2 LYS 50 63.960 4.542 -5.202 418 2HB LYS 50 HB1 LYS 50 63.703 3.031 -6.073 419 1HG LYS 50 HG2 LYS 50 61.241 3.615 -6.167 420 2HG LYS 50 HG1 LYS 50 61.666 5.206 -5.536 421 1HD LYS 50 HD2 LYS 50 63.456 5.021 -7.559 422 2HD LYS 50 HD1 LYS 50 62.146 4.048 -8.227 423 1HE LYS 50 HE2 LYS 50 60.846 6.273 -7.129 424 2HE LYS 50 HE1 LYS 50 62.292 6.942 -7.914 425 1HZ LYS 50 HZ2 LYS 50 61.762 5.484 -9.846 426 2HZ LYS 50 HZ1 LYS 50 60.271 5.126 -9.114 427 3HZ LYS 50 HZ3 LYS 50 60.626 6.719 -9.581 428 H GLU 51 HN GLU 51 63.977 0.742 -3.937 429 HA GLU 51 HA GLU 51 61.752 -0.696 -5.256 430 1HB GLU 51 HB2 GLU 51 64.290 -1.010 -5.628 431 2HB GLU 51 HB1 GLU 51 64.306 -1.811 -4.062 432 1HG GLU 51 HG2 GLU 51 64.070 -3.328 -6.041 433 2HG GLU 51 HG1 GLU 51 62.837 -3.502 -4.794 434 H ALA 52 HN ALA 52 63.170 -0.163 -2.108 435 HA ALA 52 HA ALA 52 61.570 -2.261 -0.770 436 1HB ALA 52 HB1 ALA 52 63.995 -1.201 -0.351 437 2HB ALA 52 HB3 ALA 52 63.052 -0.069 0.616 438 3HB ALA 52 HB2 ALA 52 63.011 -1.789 0.987 439 H TYR 53 HN TYR 53 61.932 1.258 -0.651 440 HA TYR 53 HA TYR 53 59.515 1.638 0.929 441 1HB TYR 53 HB2 TYR 53 60.719 3.463 1.448 442 2HB TYR 53 HB1 TYR 53 61.955 2.908 0.340 443 HD1 TYR 53 HD1 TYR 53 60.979 3.322 -2.269 444 HD2 TYR 53 HD2 TYR 53 60.308 5.710 1.219 445 HE1 TYR 53 HE1 TYR 53 60.686 5.315 -3.704 446 HE2 TYR 53 HE2 TYR 53 59.992 7.709 -0.202 447 HH TYR 53 HH TYR 53 59.600 8.395 -2.360 448 H GLU 54 HN GLU 54 59.657 0.665 -2.111 449 HA GLU 54 HA GLU 54 57.970 2.668 -3.436 450 1HB GLU 54 HB2 GLU 54 59.085 1.568 -5.093 451 2HB GLU 54 HB1 GLU 54 59.422 0.182 -4.058 452 1HG GLU 54 HG2 GLU 54 57.357 -0.852 -4.585 453 2HG GLU 54 HG1 GLU 54 56.667 0.648 -5.207 454 H VAL 55 HN VAL 55 57.575 -0.241 -1.503 455 HA VAL 55 HA VAL 55 54.643 -0.146 -2.067 456 HB VAL 55 HB VAL 55 54.786 -2.387 -2.214 457 1HG1 VAL 55 HG12 VAL 55 57.217 -1.787 -2.854 458 2HG1 VAL 55 HG11 VAL 55 57.627 -2.485 -1.286 459 3HG1 VAL 55 HG13 VAL 55 56.817 -3.465 -2.506 460 1HG2 VAL 55 HG22 VAL 55 54.359 -2.414 0.230 461 2HG2 VAL 55 HG21 VAL 55 55.339 -3.784 -0.281 462 3HG2 VAL 55 HG23 VAL 55 56.099 -2.407 0.515 463 H LEU 56 HN LEU 56 56.803 0.973 0.110 464 HA LEU 56 HA LEU 56 55.493 0.393 2.624 465 1HB LEU 56 HB2 LEU 56 57.403 2.455 1.530 466 2HB LEU 56 HB1 LEU 56 56.950 2.427 3.239 467 HG LEU 56 HG LEU 56 58.438 0.324 1.653 468 1HD1 LEU 56 HD11 LEU 56 58.995 1.769 4.262 469 2HD1 LEU 56 HD13 LEU 56 60.048 0.567 3.520 470 3HD1 LEU 56 HD12 LEU 56 59.764 2.107 2.712 471 1HD2 LEU 56 HD22 LEU 56 56.856 0.057 4.201 472 2HD2 LEU 56 HD21 LEU 56 56.945 -1.049 2.831 473 3HD2 LEU 56 HD23 LEU 56 58.302 -0.923 3.950 474 H THR 57 HN THR 57 54.570 2.235 -0.046 475 HA THR 57 HA THR 57 52.968 4.154 1.603 476 HB THR 57 HB THR 57 53.619 5.647 0.014 477 HG1 THR 57 HG1 THR 57 52.844 4.079 -2.147 478 1HG2 THR 57 HG22 THR 57 55.600 4.060 -0.254 479 2HG2 THR 57 HG21 THR 57 54.773 3.413 -1.671 480 3HG2 THR 57 HG23 THR 57 55.269 5.105 -1.635 481 H ASP 58 HN ASP 58 52.837 1.675 -0.893 482 HA ASP 58 HA ASP 58 49.897 1.850 -1.137 483 1HB ASP 58 HB2 ASP 58 51.836 1.362 -2.896 484 2HB ASP 58 HB1 ASP 58 51.618 -0.298 -2.331 485 H SER 59 HN SER 59 48.500 0.136 -0.463 486 HA SER 59 HA SER 59 49.603 -1.572 1.711 487 1HB SER 59 HB2 SER 59 47.688 -0.526 2.480 488 2HB SER 59 HB1 SER 59 46.969 -0.439 0.875 489 HG SER 59 HG SER 59 46.384 -2.555 1.029 490 H GLN 60 HN GLN 60 48.200 -1.746 -1.496 491 HA GLN 60 HA GLN 60 47.494 -4.534 -1.534 492 1HB GLN 60 HB2 GLN 60 47.479 -4.131 -3.967 493 2HB GLN 60 HB1 GLN 60 46.749 -2.767 -3.116 494 1HG GLN 60 HG2 GLN 60 49.216 -1.835 -3.100 495 2HG GLN 60 HG1 GLN 60 49.426 -2.939 -4.462 496 1HE2 GLN 60 HE22 GLN 60 46.707 0.134 -4.877 497 2HE2 GLN 60 HE21 GLN 60 46.989 -0.518 -3.335 498 H LYS 61 HN LYS 61 50.517 -2.793 -2.190 499 HA LYS 61 HA LYS 61 51.901 -5.099 -3.279 500 1HB LYS 61 HB2 LYS 61 52.951 -2.513 -2.089 501 2HB LYS 61 HB1 LYS 61 53.779 -3.556 -3.245 502 1HG LYS 61 HG2 LYS 61 52.107 -3.061 -4.951 503 2HG LYS 61 HG1 LYS 61 51.171 -2.110 -3.796 504 1HD LYS 61 HD2 LYS 61 52.499 -0.294 -4.063 505 2HD LYS 61 HD1 LYS 61 53.971 -1.259 -3.939 506 1HE LYS 61 HE2 LYS 61 53.779 -1.930 -6.285 507 2HE LYS 61 HE1 LYS 61 52.239 -1.060 -6.429 508 1HZ LYS 61 HZ2 LYS 61 53.612 0.893 -5.458 509 2HZ LYS 61 HZ1 LYS 61 54.950 0.024 -6.043 510 3HZ LYS 61 HZ3 LYS 61 53.737 0.534 -7.114 511 H ARG 62 HN ARG 62 51.769 -3.372 -0.168 512 HA ARG 62 HA ARG 62 53.716 -4.679 1.323 513 1HB ARG 62 HB2 ARG 62 50.851 -3.982 2.063 514 2HB ARG 62 HB1 ARG 62 52.135 -4.300 3.230 515 1HG ARG 62 HG2 ARG 62 52.451 -2.196 1.091 516 2HG ARG 62 HG1 ARG 62 51.665 -1.831 2.627 517 1HD ARG 62 HD2 ARG 62 54.428 -3.073 2.426 518 2HD ARG 62 HD1 ARG 62 54.139 -1.332 2.621 519 HE ARG 62 HE ARG 62 52.849 -1.935 4.717 520 1HH1 ARG 62 HH11 ARG 62 54.162 -4.710 3.335 521 2HH1 ARG 62 HH12 ARG 62 54.872 -5.308 4.797 522 1HH2 ARG 62 HH21 ARG 62 54.180 -2.444 6.620 523 2HH2 ARG 62 HH22 ARG 62 54.886 -4.024 6.654 524 H ALA 63 HN ALA 63 50.331 -5.813 0.890 525 HA ALA 63 HA ALA 63 50.564 -8.325 2.137 526 1HB ALA 63 HB2 ALA 63 49.007 -7.208 -0.192 527 2HB ALA 63 HB1 ALA 63 48.828 -8.907 0.245 528 3HB ALA 63 HB3 ALA 63 48.423 -7.650 1.413 529 H ALA 64 HN ALA 64 51.646 -7.242 -1.029 530 HA ALA 64 HA ALA 64 52.479 -9.918 -1.933 531 1HB ALA 64 HB2 ALA 64 51.621 -8.027 -3.384 532 2HB ALA 64 HB1 ALA 64 53.094 -7.136 -2.994 533 3HB ALA 64 HB3 ALA 64 53.191 -8.649 -3.896 534 H TYR 65 HN TYR 65 54.178 -6.845 -1.488 535 HA TYR 65 HA TYR 65 56.826 -7.830 -1.432 536 1HB TYR 65 HB2 TYR 65 55.366 -5.434 -1.184 537 2HB TYR 65 HB1 TYR 65 56.384 -5.513 0.246 538 HD1 TYR 65 HD1 TYR 65 56.749 -6.458 -3.378 539 HD2 TYR 65 HD2 TYR 65 58.426 -4.436 0.020 540 HE1 TYR 65 HE1 TYR 65 58.728 -5.823 -4.732 541 HE2 TYR 65 HE2 TYR 65 60.405 -3.802 -1.334 542 HH TYR 65 HH TYR 65 60.666 -3.520 -4.184 543 H ASP 66 HN ASP 66 54.434 -7.503 1.183 544 HA ASP 66 HA ASP 66 56.385 -7.939 3.268 545 1HB ASP 66 HB2 ASP 66 54.540 -7.726 4.707 546 2HB ASP 66 HB1 ASP 66 54.037 -6.799 3.296 547 H GLN 67 HN GLN 67 54.674 -10.034 1.121 548 HA GLN 67 HA GLN 67 55.175 -12.393 2.890 549 1HB GLN 67 HB2 GLN 67 53.413 -13.434 1.673 550 2HB GLN 67 HB1 GLN 67 52.881 -11.768 1.899 551 1HG GLN 67 HG2 GLN 67 52.659 -11.604 -0.335 552 2HG GLN 67 HG1 GLN 67 54.407 -11.766 -0.473 553 1HE2 GLN 67 HE22 GLN 67 52.220 -14.647 -2.030 554 2HE2 GLN 67 HE21 GLN 67 51.726 -13.040 -1.795 555 H TYR 68 HN TYR 68 56.324 -10.807 0.058 556 HA TYR 68 HA TYR 68 57.494 -13.269 -1.102 557 1HB TYR 68 HB2 TYR 68 57.097 -10.405 -1.856 558 2HB TYR 68 HB1 TYR 68 58.435 -11.267 -2.623 559 HD1 TYR 68 HD2 TYR 68 57.550 -13.943 -3.041 560 HD2 TYR 68 HD1 TYR 68 55.262 -10.317 -3.289 561 HE1 TYR 68 HE2 TYR 68 55.954 -15.055 -4.580 562 HE2 TYR 68 HE1 TYR 68 53.667 -11.427 -4.828 563 HH TYR 68 HH TYR 68 54.141 -14.819 -5.828 564 H GLY 69 HN GLY 69 59.359 -10.346 -1.277 565 1HA GLY 69 HA2 GLY 69 61.623 -10.027 -0.693 566 2HA GLY 69 HA1 GLY 69 61.013 -10.348 0.930 567 H HIS 70 HN HIS 70 60.922 -12.743 -1.631 568 HA HIS 70 HA HIS 70 63.301 -14.136 -0.554 569 1HB HIS 70 HB2 HIS 70 61.282 -14.694 0.849 570 2HB HIS 70 HB1 HIS 70 60.527 -15.360 -0.606 571 HD1 HIS 70 HD1 HIS 70 63.901 -16.149 -1.104 572 HD2 HIS 70 HD2 HIS 70 61.007 -17.686 1.473 573 HE1 HIS 70 HE1 HIS 70 64.704 -18.450 -0.416 574 H ALA 71 HN ALA 71 61.246 -16.325 -2.048 575 HA ALA 71 HA ALA 71 62.791 -16.163 -4.560 576 1HB ALA 71 HB1 ALA 71 62.283 -18.276 -3.252 577 2HB ALA 71 HB3 ALA 71 60.590 -18.066 -3.700 578 3HB ALA 71 HB2 ALA 71 61.804 -18.343 -4.948 579 H ALA 72 HN ALA 72 60.750 -14.085 -3.811 580 HA ALA 72 HA ALA 72 58.270 -14.178 -4.964 581 1HB ALA 72 HB1 ALA 72 60.359 -12.207 -4.502 582 2HB ALA 72 HB3 ALA 72 59.387 -11.783 -5.910 583 3HB ALA 72 HB2 ALA 72 58.612 -12.030 -4.346 584 H PHE 73 HN PHE 73 61.317 -13.733 -6.785 585 HA PHE 73 HA PHE 73 59.812 -14.446 -9.282 586 1HB PHE 73 HB2 PHE 73 61.486 -12.201 -8.517 587 2HB PHE 73 HB1 PHE 73 62.159 -13.026 -9.921 588 HD1 PHE 73 HD1 PHE 73 59.065 -11.463 -8.565 589 HD2 PHE 73 HD2 PHE 73 61.138 -12.851 -12.062 590 HE1 PHE 73 HE1 PHE 73 57.336 -10.418 -10.003 591 HE2 PHE 73 HE2 PHE 73 59.408 -11.809 -13.502 592 HZ PHE 73 HZ PHE 73 57.506 -10.592 -12.473 593 H GLU 74 HN GLU 74 63.150 -14.333 -7.971 594 HA GLU 74 HA GLU 74 64.893 -15.923 -8.101 595 1HB GLU 74 HB2 GLU 74 62.352 -17.306 -7.943 596 2HB GLU 74 HB1 GLU 74 63.498 -18.242 -8.905 597 1HG GLU 74 HG2 GLU 74 65.181 -17.721 -6.991 598 2HG GLU 74 HG1 GLU 74 63.745 -17.329 -6.044 599 H GLN 75 HN GLN 75 62.775 -17.419 -10.526 600 HA GLN 75 HA GLN 75 64.688 -16.531 -12.660 601 1HB GLN 75 HB2 GLN 75 63.391 -19.257 -12.518 602 2HB GLN 75 HB1 GLN 75 64.795 -18.767 -13.467 603 1HG GLN 75 HG2 GLN 75 64.647 -19.032 -10.450 604 2HG GLN 75 HG1 GLN 75 65.569 -20.051 -11.555 605 1HE2 GLN 75 HE22 GLN 75 67.671 -16.994 -12.336 606 2HE2 GLN 75 HE21 GLN 75 66.552 -17.878 -13.256 607 H GLY 76 HN GLY 76 62.634 -14.958 -12.660 608 1HA GLY 76 HA2 GLY 76 60.853 -14.210 -14.002 609 2HA GLY 76 HA1 GLY 76 61.081 -15.650 -14.996 610 H GLY 77 HN GLY 77 60.432 -17.758 -13.648 611 1HA GLY 77 HA2 GLY 77 58.018 -17.237 -12.000 612 2HA GLY 77 HA1 GLY 77 57.815 -18.187 -13.472 No H/Q in entry = 612 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 72.585 -5.667 5.552 2 2H ALA 1 HT3 ALA 1 73.355 -5.742 7.060 3 3H ALA 1 HT2 ALA 1 74.281 -5.647 5.640 4 HA ALA 1 HA ALA 1 73.679 -7.837 4.977 5 1HB ALA 1 HB3 ALA 1 75.078 -7.088 7.291 6 2HB ALA 1 HB2 ALA 1 74.094 -8.463 7.791 7 3HB ALA 1 HB1 ALA 1 75.216 -8.626 6.439 8 H LYS 2 HN LYS 2 72.015 -9.308 4.841 9 HA LYS 2 HA LYS 2 69.835 -10.176 5.191 10 1HB LYS 2 HB2 LYS 2 71.439 -11.111 6.973 11 2HB LYS 2 HB1 LYS 2 70.688 -9.968 8.087 12 1HG LYS 2 HG2 LYS 2 69.180 -11.629 8.449 13 2HG LYS 2 HG1 LYS 2 68.491 -11.118 6.907 14 1HD LYS 2 HD2 LYS 2 70.790 -12.966 6.699 15 2HD LYS 2 HD1 LYS 2 69.336 -13.660 7.417 16 1HE LYS 2 HE2 LYS 2 68.339 -13.773 5.388 17 2HE LYS 2 HE1 LYS 2 68.647 -12.048 5.101 18 1HZ LYS 2 HZ3 LYS 2 70.780 -14.095 4.911 19 2HZ LYS 2 HZ2 LYS 2 69.833 -13.654 3.571 20 3HZ LYS 2 HZ1 LYS 2 70.811 -12.497 4.341 21 H GLN 3 HN GLN 3 69.255 -7.705 4.633 22 HA GLN 3 HA GLN 3 67.960 -6.362 6.960 23 1HB GLN 3 HB2 GLN 3 67.726 -4.520 5.237 24 2HB GLN 3 HB1 GLN 3 69.393 -5.004 5.553 25 1HG GLN 3 HG2 GLN 3 68.098 -6.582 3.438 26 2HG GLN 3 HG1 GLN 3 68.240 -4.866 3.053 27 1HE2 GLN 3 HE22 GLN 3 71.430 -6.647 2.098 28 2HE2 GLN 3 HE21 GLN 3 69.799 -6.899 1.702 29 H ASP 4 HN ASP 4 65.738 -5.688 6.787 30 HA ASP 4 HA ASP 4 64.031 -7.695 5.507 31 1HB ASP 4 HB2 ASP 4 63.674 -6.875 7.783 32 2HB ASP 4 HB1 ASP 4 63.513 -5.224 7.185 33 H TYR 5 HN TYR 5 62.913 -4.389 5.634 34 HA TYR 5 HA TYR 5 63.461 -3.528 2.979 35 1HB TYR 5 HB2 TYR 5 62.168 -4.912 1.751 36 2HB TYR 5 HB1 TYR 5 61.755 -5.772 3.226 37 HD1 TYR 5 HD1 TYR 5 59.794 -4.913 4.630 38 HD2 TYR 5 HD2 TYR 5 60.554 -3.650 0.605 39 HE1 TYR 5 HE1 TYR 5 57.457 -4.121 4.437 40 HE2 TYR 5 HE2 TYR 5 58.221 -2.850 0.404 41 HH TYR 5 HH TYR 5 55.802 -3.738 2.488 42 H TYR 6 HN TYR 6 60.927 -3.709 5.485 43 HA TYR 6 HA TYR 6 59.948 -1.004 4.879 44 1HB TYR 6 HB2 TYR 6 58.165 -1.788 6.043 45 2HB TYR 6 HB1 TYR 6 58.995 -3.336 6.099 46 HD1 TYR 6 HD1 TYR 6 59.298 -0.021 7.882 47 HD2 TYR 6 HD2 TYR 6 59.057 -4.297 8.193 48 HE1 TYR 6 HE1 TYR 6 59.447 0.137 10.343 49 HE2 TYR 6 HE2 TYR 6 59.204 -4.124 10.661 50 HH TYR 6 HH TYR 6 58.922 -1.109 12.309 51 H GLU 7 HN GLU 7 61.745 -2.650 7.455 52 HA GLU 7 HA GLU 7 62.374 -0.225 8.897 53 1HB GLU 7 HB2 GLU 7 63.052 -3.115 8.895 54 2HB GLU 7 HB1 GLU 7 64.270 -2.055 9.605 55 1HG GLU 7 HG2 GLU 7 61.736 -1.171 10.549 56 2HG GLU 7 HG1 GLU 7 61.786 -2.922 10.751 57 H ILE 8 HN ILE 8 63.724 -1.977 6.178 58 HA ILE 8 HA ILE 8 66.387 -1.224 6.075 59 HB ILE 8 HB ILE 8 64.157 -1.477 4.079 60 1HG1 ILE 8 HG12 ILE 8 66.734 -2.933 4.718 61 2HG1 ILE 8 HG11 ILE 8 65.084 -3.531 4.883 62 1HG2 ILE 8 HG22 ILE 8 65.612 0.351 3.223 63 2HG2 ILE 8 HG21 ILE 8 67.004 -0.723 3.356 64 3HG2 ILE 8 HG23 ILE 8 65.705 -1.100 2.224 65 1HD1 ILE 8 HD13 ILE 8 65.163 -2.850 2.223 66 2HD1 ILE 8 HD12 ILE 8 66.809 -3.423 2.498 67 3HD1 ILE 8 HD11 ILE 8 65.438 -4.477 2.848 68 H LEU 9 HN LEU 9 63.551 0.860 5.640 69 HA LEU 9 HA LEU 9 65.358 3.182 5.079 70 1HB LEU 9 HB2 LEU 9 62.334 2.993 4.976 71 2HB LEU 9 HB1 LEU 9 63.353 4.221 4.226 72 HG LEU 9 HG LEU 9 64.164 1.559 3.400 73 1HD1 LEU 9 HD12 LEU 9 61.266 2.343 3.144 74 2HD1 LEU 9 HD11 LEU 9 62.038 1.342 1.913 75 3HD1 LEU 9 HD13 LEU 9 61.951 0.778 3.582 76 1HD2 LEU 9 HD23 LEU 9 63.100 4.013 1.970 77 2HD2 LEU 9 HD22 LEU 9 64.796 3.600 2.230 78 3HD2 LEU 9 HD21 LEU 9 63.802 2.613 1.162 79 H GLY 10 HN GLY 10 65.010 1.959 7.814 80 1HA GLY 10 HA2 GLY 10 64.453 2.636 10.010 81 2HA GLY 10 HA1 GLY 10 64.955 4.227 9.430 82 H VAL 11 HN VAL 11 62.158 2.020 9.249 83 HA VAL 11 HA VAL 11 60.359 4.389 9.619 84 HB VAL 11 HB VAL 11 59.788 2.126 7.694 85 1HG1 VAL 11 HG13 VAL 11 58.544 4.619 8.463 86 2HG1 VAL 11 HG12 VAL 11 58.892 4.609 6.733 87 3HG1 VAL 11 HG11 VAL 11 57.911 3.327 7.444 88 1HG2 VAL 11 HG22 VAL 11 61.496 4.577 7.230 89 2HG2 VAL 11 HG21 VAL 11 61.884 2.895 6.868 90 3HG2 VAL 11 HG23 VAL 11 60.676 3.745 5.909 91 H SER 12 HN SER 12 57.996 2.745 9.289 92 HA SER 12 HA SER 12 58.210 0.812 11.557 93 1HB SER 12 HB2 SER 12 57.190 2.976 12.218 94 2HB SER 12 HB1 SER 12 56.013 2.809 10.918 95 HG SER 12 HG SER 12 54.899 1.720 12.319 96 H LYS 13 HN LYS 13 57.524 1.276 8.316 97 HA LYS 13 HA LYS 13 56.651 -0.202 6.711 98 1HB LYS 13 HB2 LYS 13 56.840 -2.346 7.368 99 2HB LYS 13 HB1 LYS 13 57.173 -1.742 8.985 100 1HG LYS 13 HG2 LYS 13 54.622 -1.697 9.327 101 2HG LYS 13 HG1 LYS 13 54.525 -2.666 7.856 102 1HD LYS 13 HD2 LYS 13 56.363 -4.125 9.081 103 2HD LYS 13 HD1 LYS 13 55.679 -3.384 10.527 104 1HE LYS 13 HE2 LYS 13 53.478 -4.252 10.023 105 2HE LYS 13 HE1 LYS 13 54.011 -4.810 8.424 106 1HZ LYS 13 HZ1 LYS 13 55.716 -6.163 9.578 107 2HZ LYS 13 HZ3 LYS 13 55.011 -5.742 11.062 108 3HZ LYS 13 HZ2 LYS 13 54.127 -6.650 9.931 109 H THR 14 HN THR 14 54.639 0.310 9.626 110 HA THR 14 HA THR 14 52.182 0.317 7.982 111 HB THR 14 HB THR 14 51.091 0.362 10.104 112 HG1 THR 14 HG1 THR 14 53.528 1.485 10.953 113 1HG2 THR 14 HG21 THR 14 52.647 -1.658 9.562 114 2HG2 THR 14 HG23 THR 14 53.656 -1.017 10.859 115 3HG2 THR 14 HG22 THR 14 51.995 -1.508 11.194 116 H ALA 15 HN ALA 15 54.654 2.436 8.486 117 HA ALA 15 HA ALA 15 53.548 4.904 9.278 118 1HB ALA 15 HB2 ALA 15 55.968 4.061 8.566 119 2HB ALA 15 HB1 ALA 15 55.483 4.686 6.990 120 3HB ALA 15 HB3 ALA 15 55.534 5.761 8.386 121 H GLU 16 HN GLU 16 54.190 6.420 6.928 122 HA GLU 16 HA GLU 16 52.192 5.688 4.893 123 1HB GLU 16 HB2 GLU 16 51.718 7.405 7.126 124 2HB GLU 16 HB1 GLU 16 51.799 8.435 5.697 125 1HG GLU 16 HG2 GLU 16 50.317 6.238 4.847 126 2HG GLU 16 HG1 GLU 16 49.746 6.519 6.491 127 H GLU 17 HN GLU 17 52.324 8.516 4.015 128 HA GLU 17 HA GLU 17 54.897 8.393 2.593 129 1HB GLU 17 HB2 GLU 17 52.314 9.910 2.433 130 2HB GLU 17 HB1 GLU 17 53.738 10.600 1.654 131 1HG GLU 17 HG2 GLU 17 53.668 7.825 1.007 132 2HG GLU 17 HG1 GLU 17 52.057 8.483 0.713 133 H ARG 18 HN ARG 18 54.039 9.443 5.579 134 HA ARG 18 HA ARG 18 55.442 12.033 5.470 135 1HB ARG 18 HB2 ARG 18 54.929 11.763 8.079 136 2HB ARG 18 HB1 ARG 18 53.680 12.256 6.945 137 1HG ARG 18 HG2 ARG 18 52.906 10.474 8.492 138 2HG ARG 18 HG1 ARG 18 52.846 9.959 6.812 139 1HD ARG 18 HD2 ARG 18 53.827 8.220 8.346 140 2HD ARG 18 HD1 ARG 18 54.966 8.736 7.091 141 HE ARG 18 HE ARG 18 56.114 10.104 8.752 142 1HH1 ARG 18 HH11 ARG 18 55.254 11.179 10.872 143 2HH1 ARG 18 HH12 ARG 18 54.942 10.014 12.114 144 1HH2 ARG 18 HH21 ARG 18 54.959 7.305 9.946 145 2HH2 ARG 18 HH22 ARG 18 54.777 7.818 11.591 146 H GLU 19 HN GLU 19 56.311 8.794 5.930 147 HA GLU 19 HA GLU 19 58.833 9.688 7.254 148 1HB GLU 19 HB2 GLU 19 56.934 7.751 8.051 149 2HB GLU 19 HB1 GLU 19 58.358 6.861 7.494 150 1HG GLU 19 HG2 GLU 19 59.718 7.737 9.105 151 2HG GLU 19 HG1 GLU 19 58.857 9.277 9.142 152 H ILE 20 HN ILE 20 57.333 7.620 4.806 153 HA ILE 20 HA ILE 20 59.828 6.550 3.876 154 HB ILE 20 HB ILE 20 57.035 6.394 3.276 155 1HG1 ILE 20 HG12 ILE 20 57.749 4.287 2.260 156 2HG1 ILE 20 HG11 ILE 20 59.415 4.861 2.199 157 1HG2 ILE 20 HG22 ILE 20 58.799 7.106 0.926 158 2HG2 ILE 20 HG21 ILE 20 57.367 6.095 0.727 159 3HG2 ILE 20 HG23 ILE 20 57.205 7.744 1.329 160 1HD1 ILE 20 HD13 ILE 20 58.301 5.150 4.872 161 2HD1 ILE 20 HD12 ILE 20 58.222 3.476 4.326 162 3HD1 ILE 20 HD11 ILE 20 59.770 4.320 4.360 163 H ARG 21 HN ARG 21 58.340 9.661 3.677 164 HA ARG 21 HA ARG 21 59.889 10.435 1.290 165 1HB ARG 21 HB2 ARG 21 58.140 11.875 1.125 166 2HB ARG 21 HB1 ARG 21 57.520 11.266 2.653 167 1HG ARG 21 HG2 ARG 21 59.704 13.346 2.599 168 2HG ARG 21 HG1 ARG 21 58.010 13.807 2.459 169 1HD ARG 21 HD2 ARG 21 58.365 11.898 4.623 170 2HD ARG 21 HD1 ARG 21 59.390 13.329 4.854 171 HE ARG 21 HE ARG 21 56.430 13.420 4.439 172 1HH1 ARG 21 HH21 ARG 21 58.961 15.502 4.064 173 2HH1 ARG 21 HH22 ARG 21 58.472 16.638 5.275 174 1HH2 ARG 21 HH11 ARG 21 55.991 14.594 6.572 175 2HH2 ARG 21 HH12 ARG 21 56.795 16.122 6.699 176 H LYS 22 HN LYS 22 59.971 10.818 4.766 177 HA LYS 22 HA LYS 22 62.317 12.602 4.654 178 1HB LYS 22 HB2 LYS 22 60.201 12.364 6.346 179 2HB LYS 22 HB1 LYS 22 61.355 11.317 7.168 180 1HG LYS 22 HG2 LYS 22 62.153 14.070 6.229 181 2HG LYS 22 HG1 LYS 22 61.354 13.837 7.783 182 1HD LYS 22 HD2 LYS 22 63.978 12.618 6.880 183 2HD LYS 22 HD1 LYS 22 63.738 13.794 8.174 184 1HE LYS 22 HE2 LYS 22 62.027 11.771 8.936 185 2HE LYS 22 HE1 LYS 22 63.384 10.872 8.232 186 1HZ LYS 22 HZ2 LYS 22 64.824 12.541 9.505 187 2HZ LYS 22 HZ1 LYS 22 63.427 12.860 10.417 188 3HZ LYS 22 HZ3 LYS 22 64.086 11.297 10.396 189 H ALA 23 HN ALA 23 61.361 9.278 5.154 190 HA ALA 23 HA ALA 23 63.958 8.362 6.160 191 1HB ALA 23 HB3 ALA 23 61.545 6.948 4.967 192 2HB ALA 23 HB2 ALA 23 62.888 6.132 5.767 193 3HB ALA 23 HB1 ALA 23 61.847 7.221 6.683 194 H TYR 24 HN TYR 24 62.202 7.696 3.079 195 HA TYR 24 HA TYR 24 64.277 6.525 1.629 196 1HB TYR 24 HB2 TYR 24 62.077 6.746 0.675 197 2HB TYR 24 HB1 TYR 24 62.121 8.501 0.841 198 HD1 TYR 24 HD2 TYR 24 65.098 6.652 -0.252 199 HD2 TYR 24 HD1 TYR 24 61.650 8.864 -1.543 200 HE1 TYR 24 HE2 TYR 24 66.088 6.878 -2.513 201 HE2 TYR 24 HE1 TYR 24 62.643 9.092 -3.804 202 HH TYR 24 HH TYR 24 65.668 7.460 -4.654 203 H LYS 25 HN LYS 25 63.748 9.911 2.431 204 HA LYS 25 HA LYS 25 66.040 10.839 0.826 205 1HB LYS 25 HB2 LYS 25 63.838 12.046 1.152 206 2HB LYS 25 HB1 LYS 25 64.299 12.297 2.836 207 1HG LYS 25 HG2 LYS 25 66.276 13.065 0.733 208 2HG LYS 25 HG1 LYS 25 64.867 14.104 0.952 209 1HD LYS 25 HD2 LYS 25 65.506 13.827 3.522 210 2HD LYS 25 HD1 LYS 25 67.107 13.527 2.843 211 1HE LYS 25 HE2 LYS 25 67.393 15.741 2.464 212 2HE LYS 25 HE1 LYS 25 65.892 15.798 1.518 213 1HZ LYS 25 HZ3 LYS 25 65.782 15.573 4.454 214 2HZ LYS 25 HZ2 LYS 25 66.012 17.095 3.735 215 3HZ LYS 25 HZ1 LYS 25 64.618 16.190 3.386 216 H ARG 26 HN ARG 26 65.152 10.651 4.317 217 HA ARG 26 HA ARG 26 67.762 11.608 5.200 218 1HB ARG 26 HB2 ARG 26 65.714 11.826 6.536 219 2HB ARG 26 HB1 ARG 26 65.556 10.070 6.606 220 1HG ARG 26 HG2 ARG 26 66.571 10.878 8.677 221 2HG ARG 26 HG1 ARG 26 67.755 9.945 7.761 222 1HD ARG 26 HD2 ARG 26 69.126 11.750 7.950 223 2HD ARG 26 HD1 ARG 26 68.046 12.567 6.802 224 HE ARG 26 HE ARG 26 66.791 13.466 8.718 225 1HH1 ARG 26 HH21 ARG 26 66.785 12.409 11.102 226 2HH1 ARG 26 HH22 ARG 26 68.246 12.810 11.939 227 1HH2 ARG 26 HH11 ARG 26 69.956 13.725 9.063 228 2HH2 ARG 26 HH12 ARG 26 70.043 13.557 10.785 229 H LEU 27 HN LEU 27 66.417 8.398 4.523 230 HA LEU 27 HA LEU 27 68.717 7.038 5.770 231 1HB LEU 27 HB2 LEU 27 66.053 6.433 4.984 232 2HB LEU 27 HB1 LEU 27 67.120 5.363 4.073 233 HG LEU 27 HG LEU 27 66.499 4.382 6.269 234 1HD1 LEU 27 HD13 LEU 27 68.935 4.383 5.080 235 2HD1 LEU 27 HD12 LEU 27 69.367 5.073 6.644 236 3HD1 LEU 27 HD11 LEU 27 68.594 3.490 6.563 237 1HD2 LEU 27 HD22 LEU 27 66.347 6.680 7.385 238 2HD2 LEU 27 HD21 LEU 27 67.151 5.425 8.327 239 3HD2 LEU 27 HD23 LEU 27 68.106 6.644 7.485 240 H ALA 28 HN ALA 28 67.765 8.145 2.584 241 HA ALA 28 HA ALA 28 69.585 6.443 1.097 242 1HB ALA 28 HB3 ALA 28 68.020 8.960 0.627 243 2HB ALA 28 HB2 ALA 28 69.195 8.421 -0.572 244 3HB ALA 28 HB1 ALA 28 67.837 7.382 -0.138 245 H MET 29 HN MET 29 69.865 9.404 2.902 246 HA MET 29 HA MET 29 72.069 10.719 1.841 247 1HB MET 29 HB2 MET 29 70.713 11.111 3.961 248 2HB MET 29 HB1 MET 29 71.761 9.918 4.731 249 1HG MET 29 HG2 MET 29 73.660 11.262 4.545 250 2HG MET 29 HG1 MET 29 72.979 12.213 3.226 251 1HE MET 29 HE3 MET 29 74.502 12.610 5.778 252 2HE MET 29 HE2 MET 29 73.940 14.132 6.463 253 3HE MET 29 HE1 MET 29 73.563 12.617 7.277 254 H LYS 30 HN LYS 30 72.028 7.919 3.980 255 HA LYS 30 HA LYS 30 74.734 7.318 4.298 256 1HB LYS 30 HB2 LYS 30 72.113 6.057 4.374 257 2HB LYS 30 HB1 LYS 30 73.351 4.916 3.840 258 1HG LYS 30 HG2 LYS 30 73.721 4.645 6.073 259 2HG LYS 30 HG1 LYS 30 74.667 6.122 5.889 260 1HD LYS 30 HD2 LYS 30 71.809 6.648 6.251 261 2HD LYS 30 HD1 LYS 30 72.526 5.795 7.619 262 1HE LYS 30 HE2 LYS 30 74.159 8.028 6.545 263 2HE LYS 30 HE1 LYS 30 72.645 8.501 7.341 264 1HZ LYS 30 HZ3 LYS 30 74.391 6.449 8.540 265 2HZ LYS 30 HZ2 LYS 30 74.710 8.097 8.798 266 3HZ LYS 30 HZ1 LYS 30 73.228 7.429 9.292 267 H TYR 31 HN TYR 31 72.754 7.188 1.460 268 HA TYR 31 HA TYR 31 74.964 5.763 -0.012 269 1HB TYR 31 HB2 TYR 31 72.051 5.816 -0.810 270 2HB TYR 31 HB1 TYR 31 73.293 4.645 -1.264 271 HD1 TYR 31 HD2 TYR 31 74.568 3.906 1.213 272 HD2 TYR 31 HD1 TYR 31 70.420 4.733 0.462 273 HE1 TYR 31 HE2 TYR 31 73.935 2.482 3.142 274 HE2 TYR 31 HE1 TYR 31 69.788 3.310 2.392 275 HH TYR 31 HH TYR 31 70.868 2.517 4.521 276 H HIS 32 HN HIS 32 72.756 8.491 0.030 277 HA HIS 32 HA HIS 32 72.609 9.483 -2.506 278 1HB HIS 32 HB2 HIS 32 72.838 10.524 0.195 279 2HB HIS 32 HB1 HIS 32 73.487 11.665 -0.986 280 HD1 HIS 32 HD1 HIS 32 71.523 13.302 -1.025 281 HD2 HIS 32 HD2 HIS 32 70.357 9.367 -1.756 282 HE1 HIS 32 HE1 HIS 32 69.108 13.398 -1.779 283 HA PRO 33 HA PRO 33 76.436 10.221 -4.440 284 1HB PRO 33 HB2 PRO 33 76.183 12.843 -5.256 285 2HB PRO 33 HB1 PRO 33 75.361 11.475 -6.035 286 1HG PRO 33 HG2 PRO 33 74.327 13.342 -3.935 287 2HG PRO 33 HG1 PRO 33 73.562 12.826 -5.454 288 1HD PRO 33 HD2 PRO 33 72.855 11.664 -3.191 289 2HD PRO 33 HD1 PRO 33 73.125 10.669 -4.644 290 H ASP 34 HN ASP 34 77.906 12.660 -4.596 291 HA ASP 34 HA ASP 34 79.496 13.909 -3.354 292 1HB ASP 34 HB2 ASP 34 77.253 14.284 -2.000 293 2HB ASP 34 HB1 ASP 34 77.975 13.153 -0.855 294 H ARG 35 HN ARG 35 78.390 11.358 -1.115 295 HA ARG 35 HA ARG 35 81.110 10.345 -0.730 296 1HB ARG 35 HB2 ARG 35 79.992 8.981 0.886 297 2HB ARG 35 HB1 ARG 35 79.094 10.492 0.913 298 1HG ARG 35 HG2 ARG 35 77.473 9.500 -0.710 299 2HG ARG 35 HG1 ARG 35 78.335 7.966 -0.591 300 1HD ARG 35 HD2 ARG 35 76.920 9.430 1.667 301 2HD ARG 35 HD1 ARG 35 76.474 7.863 0.963 302 HE ARG 35 HE ARG 35 78.651 8.318 2.853 303 1HH1 ARG 35 HH21 ARG 35 80.177 7.118 0.690 304 2HH1 ARG 35 HH22 ARG 35 79.921 5.417 0.896 305 1HH2 ARG 35 HH11 ARG 35 77.147 5.811 2.940 306 2HH2 ARG 35 HH12 ARG 35 78.208 4.677 2.172 307 H ASN 36 HN ASN 36 78.283 9.815 -2.669 308 HA ASN 36 HA ASN 36 79.326 7.288 -3.831 309 1HB ASN 36 HB2 ASN 36 76.675 8.641 -3.375 310 2HB ASN 36 HB1 ASN 36 76.816 7.589 -4.774 311 1HD2 ASN 36 HD22 ASN 36 76.068 4.866 -2.688 312 2HD2 ASN 36 HD21 ASN 36 75.651 5.769 -4.063 313 H GLN 37 HN GLN 37 77.664 7.789 -6.194 314 HA GLN 37 HA GLN 37 78.652 10.217 -7.488 315 1HB GLN 37 HB2 GLN 37 79.573 7.427 -8.233 316 2HB GLN 37 HB1 GLN 37 79.846 8.851 -9.240 317 1HG GLN 37 HG2 GLN 37 80.960 9.917 -7.208 318 2HG GLN 37 HG1 GLN 37 80.915 8.321 -6.459 319 1HE2 GLN 37 HE22 GLN 37 84.117 8.903 -8.488 320 2HE2 GLN 37 HE21 GLN 37 83.309 9.915 -7.390 321 H GLY 38 HN GLY 38 76.175 10.118 -7.263 322 1HA GLY 38 HA2 GLY 38 74.209 10.143 -8.605 323 2HA GLY 38 HA1 GLY 38 75.073 9.210 -9.836 324 H ASP 39 HN ASP 39 75.993 7.059 -8.499 325 HA ASP 39 HA ASP 39 73.840 5.854 -6.877 326 1HB ASP 39 HB2 ASP 39 74.615 4.904 -9.651 327 2HB ASP 39 HB1 ASP 39 73.608 3.981 -8.536 328 H LYS 40 HN LYS 40 75.942 3.885 -8.813 329 HA LYS 40 HA LYS 40 77.738 2.512 -8.235 330 1HB LYS 40 HB2 LYS 40 78.127 4.917 -6.510 331 2HB LYS 40 HB1 LYS 40 79.314 3.625 -6.556 332 1HG LYS 40 HG2 LYS 40 78.386 5.365 -8.856 333 2HG LYS 40 HG1 LYS 40 80.005 5.288 -8.160 334 1HD LYS 40 HD2 LYS 40 80.450 3.782 -9.789 335 2HD LYS 40 HD1 LYS 40 79.497 2.652 -8.825 336 1HE LYS 40 HE2 LYS 40 77.474 3.878 -10.082 337 2HE LYS 40 HE1 LYS 40 78.737 4.124 -11.305 338 1HZ LYS 40 HZ3 LYS 40 78.545 1.502 -10.009 339 2HZ LYS 40 HZ2 LYS 40 77.390 1.883 -11.194 340 3HZ LYS 40 HZ1 LYS 40 79.045 1.890 -11.583 341 H GLU 41 HN GLU 41 76.996 3.918 -5.062 342 HA GLU 41 HA GLU 41 76.721 1.149 -3.985 343 1HB GLU 41 HB2 GLU 41 77.605 3.789 -3.043 344 2HB GLU 41 HB1 GLU 41 76.537 2.977 -1.900 345 1HG GLU 41 HG2 GLU 41 78.114 1.451 -1.358 346 2HG GLU 41 HG1 GLU 41 78.516 1.160 -3.051 347 H ALA 42 HN ALA 42 74.933 3.922 -4.928 348 HA ALA 42 HA ALA 42 72.552 3.244 -3.318 349 1HB ALA 42 HB1 ALA 42 73.602 5.459 -4.938 350 2HB ALA 42 HB3 ALA 42 71.891 5.153 -5.235 351 3HB ALA 42 HB2 ALA 42 72.453 5.504 -3.601 352 H GLU 43 HN GLU 43 73.991 2.567 -6.402 353 HA GLU 43 HA GLU 43 71.798 2.065 -8.083 354 1HB GLU 43 HB2 GLU 43 74.426 1.805 -8.282 355 2HB GLU 43 HB1 GLU 43 74.084 0.127 -7.860 356 1HG GLU 43 HG2 GLU 43 72.375 1.350 -9.970 357 2HG GLU 43 HG1 GLU 43 74.048 1.003 -10.406 358 H ALA 44 HN ALA 44 73.281 -0.179 -5.707 359 HA ALA 44 HA ALA 44 71.095 -2.128 -6.067 360 1HB ALA 44 HB1 ALA 44 73.759 -2.137 -5.206 361 2HB ALA 44 HB3 ALA 44 72.837 -2.406 -3.726 362 3HB ALA 44 HB2 ALA 44 72.639 -3.494 -5.100 363 H LYS 45 HN LYS 45 72.312 -0.143 -3.310 364 HA LYS 45 HA LYS 45 70.232 -0.640 -1.516 365 1HB LYS 45 HB2 LYS 45 72.323 1.252 -1.890 366 2HB LYS 45 HB1 LYS 45 70.858 2.159 -1.489 367 1HG LYS 45 HG2 LYS 45 71.146 1.560 0.657 368 2HG LYS 45 HG1 LYS 45 70.841 -0.112 0.178 369 1HD LYS 45 HD2 LYS 45 73.504 0.559 -0.602 370 2HD LYS 45 HD1 LYS 45 73.293 1.030 1.085 371 1HE LYS 45 HE2 LYS 45 72.335 -1.258 1.541 372 2HE LYS 45 HE1 LYS 45 72.779 -1.710 -0.117 373 1HZ LYS 45 HZ1 LYS 45 74.814 -0.351 1.465 374 2HZ LYS 45 HZ3 LYS 45 74.464 -1.949 1.912 375 3HZ LYS 45 HZ2 LYS 45 74.981 -1.604 0.330 376 H PHE 46 HN PHE 46 70.184 1.354 -4.450 377 HA PHE 46 HA PHE 46 67.765 2.779 -4.006 378 1HB PHE 46 HB2 PHE 46 69.168 3.214 -5.919 379 2HB PHE 46 HB1 PHE 46 69.041 1.542 -6.463 380 HD1 PHE 46 HD1 PHE 46 67.088 4.667 -5.915 381 HD2 PHE 46 HD2 PHE 46 67.229 0.826 -7.830 382 HE1 PHE 46 HE1 PHE 46 65.071 5.251 -7.233 383 HE2 PHE 46 HE2 PHE 46 65.210 1.409 -9.149 384 HZ PHE 46 HZ PHE 46 64.131 3.621 -8.848 385 H LYS 47 HN LYS 47 68.397 -0.573 -4.479 386 HA LYS 47 HA LYS 47 65.697 -1.300 -5.175 387 1HB LYS 47 HB2 LYS 47 66.657 -3.448 -5.473 388 2HB LYS 47 HB1 LYS 47 68.031 -2.403 -5.793 389 1HG LYS 47 HG2 LYS 47 69.174 -3.287 -4.079 390 2HG LYS 47 HG1 LYS 47 67.847 -3.017 -2.959 391 1HD LYS 47 HD2 LYS 47 67.589 -5.252 -2.955 392 2HD LYS 47 HD1 LYS 47 66.912 -5.058 -4.572 393 1HE LYS 47 HE2 LYS 47 68.939 -5.620 -5.628 394 2HE LYS 47 HE1 LYS 47 69.897 -5.272 -4.176 395 1HZ LYS 47 HZ1 LYS 47 67.777 -7.309 -4.069 396 2HZ LYS 47 HZ3 LYS 47 69.280 -7.719 -4.738 397 3HZ LYS 47 HZ2 LYS 47 69.187 -7.178 -3.130 398 H GLU 48 HN GLU 48 67.771 -0.930 -2.403 399 HA GLU 48 HA GLU 48 65.769 -2.146 -0.632 400 1HB GLU 48 HB2 GLU 48 68.442 -0.769 -0.171 401 2HB GLU 48 HB1 GLU 48 67.472 -1.472 1.123 402 1HG GLU 48 HG2 GLU 48 67.598 -3.679 0.008 403 2HG GLU 48 HG1 GLU 48 68.603 -2.971 -1.258 404 H ILE 49 HN ILE 49 66.354 0.737 -2.224 405 HA ILE 49 HA ILE 49 65.068 2.387 -0.136 406 HB ILE 49 HB ILE 49 66.371 3.036 -2.796 407 1HG1 ILE 49 HG12 ILE 49 68.274 2.741 -1.576 408 2HG1 ILE 49 HG11 ILE 49 67.851 4.295 -0.867 409 1HG2 ILE 49 HG22 ILE 49 64.800 4.601 -0.849 410 2HG2 ILE 49 HG21 ILE 49 66.293 5.360 -1.405 411 3HG2 ILE 49 HG23 ILE 49 65.064 4.874 -2.572 412 1HD1 ILE 49 HD13 ILE 49 66.488 2.967 0.840 413 2HD1 ILE 49 HD12 ILE 49 67.335 1.542 0.239 414 3HD1 ILE 49 HD11 ILE 49 68.242 2.861 0.973 415 H LYS 50 HN LYS 50 64.832 2.566 -3.679 416 HA LYS 50 HA LYS 50 62.002 3.209 -3.415 417 1HB LYS 50 HB2 LYS 50 64.153 3.325 -5.398 418 2HB LYS 50 HB1 LYS 50 62.618 2.834 -6.115 419 1HG LYS 50 HG2 LYS 50 62.160 4.973 -4.239 420 2HG LYS 50 HG1 LYS 50 63.410 5.452 -5.387 421 1HD LYS 50 HD2 LYS 50 61.994 5.242 -7.227 422 2HD LYS 50 HD1 LYS 50 60.926 4.106 -6.403 423 1HE LYS 50 HE2 LYS 50 59.828 5.804 -5.205 424 2HE LYS 50 HE1 LYS 50 61.177 6.940 -5.399 425 1HZ LYS 50 HZ3 LYS 50 59.934 5.877 -7.823 426 2HZ LYS 50 HZ2 LYS 50 59.061 7.047 -6.954 427 3HZ LYS 50 HZ1 LYS 50 60.614 7.404 -7.540 428 H GLU 51 HN GLU 51 63.757 0.244 -3.718 429 HA GLU 51 HA GLU 51 61.476 -1.061 -5.113 430 1HB GLU 51 HB2 GLU 51 63.448 -2.011 -5.868 431 2HB GLU 51 HB1 GLU 51 64.282 -1.602 -4.404 432 1HG GLU 51 HG2 GLU 51 63.979 -3.670 -3.550 433 2HG GLU 51 HG1 GLU 51 62.249 -3.588 -3.858 434 H ALA 52 HN ALA 52 62.931 -0.550 -1.998 435 HA ALA 52 HA ALA 52 61.167 -2.459 -0.586 436 1HB ALA 52 HB1 ALA 52 63.699 -1.590 -0.226 437 2HB ALA 52 HB3 ALA 52 62.848 -0.432 0.795 438 3HB ALA 52 HB2 ALA 52 62.696 -2.161 1.107 439 H TYR 53 HN TYR 53 61.942 0.998 -0.268 440 HA TYR 53 HA TYR 53 59.619 1.655 1.277 441 1HB TYR 53 HB2 TYR 53 60.970 3.419 1.621 442 2HB TYR 53 HB1 TYR 53 62.091 2.724 0.472 443 HD1 TYR 53 HD1 TYR 53 58.848 4.652 0.320 444 HD2 TYR 53 HD2 TYR 53 62.856 4.165 -1.125 445 HE1 TYR 53 HE1 TYR 53 58.557 6.588 -1.190 446 HE2 TYR 53 HE2 TYR 53 62.567 6.081 -2.636 447 HH TYR 53 HH TYR 53 60.002 7.219 -3.686 448 H GLU 54 HN GLU 54 59.859 1.016 -2.069 449 HA GLU 54 HA GLU 54 58.021 2.950 -3.128 450 1HB GLU 54 HB2 GLU 54 59.046 1.806 -4.817 451 2HB GLU 54 HB1 GLU 54 59.185 0.326 -3.870 452 1HG GLU 54 HG2 GLU 54 56.945 -0.320 -4.381 453 2HG GLU 54 HG1 GLU 54 56.541 1.288 -4.983 454 H VAL 55 HN VAL 55 57.476 -0.223 -1.552 455 HA VAL 55 HA VAL 55 54.552 0.254 -1.859 456 HB VAL 55 HB VAL 55 54.457 -1.966 -2.172 457 1HG1 VAL 55 HG12 VAL 55 56.869 -1.568 -2.937 458 2HG1 VAL 55 HG11 VAL 55 57.334 -2.349 -1.425 459 3HG1 VAL 55 HG13 VAL 55 56.372 -3.228 -2.613 460 1HG2 VAL 55 HG22 VAL 55 55.712 -2.087 0.565 461 2HG2 VAL 55 HG21 VAL 55 54.041 -2.422 0.116 462 3HG2 VAL 55 HG23 VAL 55 55.319 -3.551 -0.333 463 H LEU 56 HN LEU 56 56.686 1.325 0.231 464 HA LEU 56 HA LEU 56 55.449 0.497 2.761 465 1HB LEU 56 HB2 LEU 56 57.766 1.913 1.748 466 2HB LEU 56 HB1 LEU 56 57.024 2.800 3.083 467 HG LEU 56 HG LEU 56 57.103 0.814 4.501 468 1HD1 LEU 56 HD12 LEU 56 57.391 -0.496 1.962 469 2HD1 LEU 56 HD11 LEU 56 58.768 -0.921 2.979 470 3HD1 LEU 56 HD13 LEU 56 57.126 -1.222 3.547 471 1HD2 LEU 56 HD23 LEU 56 59.398 2.158 3.414 472 2HD2 LEU 56 HD22 LEU 56 59.181 1.496 5.034 473 3HD2 LEU 56 HD21 LEU 56 59.827 0.479 3.746 474 H THR 57 HN THR 57 54.353 2.367 0.311 475 HA THR 57 HA THR 57 53.059 4.386 2.114 476 HB THR 57 HB THR 57 53.720 5.876 0.518 477 HG1 THR 57 HG1 THR 57 52.675 5.809 -1.446 478 1HG2 THR 57 HG21 THR 57 55.531 4.135 0.044 479 2HG2 THR 57 HG23 THR 57 54.539 3.609 -1.317 480 3HG2 THR 57 HG22 THR 57 55.181 5.251 -1.276 481 H ASP 58 HN ASP 58 52.627 1.746 -0.074 482 HA ASP 58 HA ASP 58 49.704 2.221 -0.339 483 1HB ASP 58 HB2 ASP 58 51.439 1.577 -2.180 484 2HB ASP 58 HB1 ASP 58 51.324 -0.049 -1.497 485 H SER 59 HN SER 59 48.448 -0.013 -0.228 486 HA SER 59 HA SER 59 49.289 -1.420 2.287 487 1HB SER 59 HB2 SER 59 47.333 -0.450 2.971 488 2HB SER 59 HB1 SER 59 46.789 -0.175 1.319 489 HG SER 59 HG SER 59 46.897 -2.759 2.467 490 H GLN 60 HN GLN 60 47.756 -1.729 -0.896 491 HA GLN 60 HA GLN 60 47.210 -4.529 -0.852 492 1HB GLN 60 HB2 GLN 60 47.138 -4.224 -3.293 493 2HB GLN 60 HB1 GLN 60 46.397 -2.836 -2.495 494 1HG GLN 60 HG2 GLN 60 48.892 -1.915 -2.564 495 2HG GLN 60 HG1 GLN 60 49.009 -3.024 -3.932 496 1HE2 GLN 60 HE22 GLN 60 46.282 0.059 -4.223 497 2HE2 GLN 60 HE21 GLN 60 46.610 -0.606 -2.696 498 H LYS 61 HN LYS 61 50.186 -2.712 -1.466 499 HA LYS 61 HA LYS 61 51.658 -5.047 -2.446 500 1HB LYS 61 HB2 LYS 61 52.680 -2.358 -1.491 501 2HB LYS 61 HB1 LYS 61 53.438 -3.446 -2.653 502 1HG LYS 61 HG2 LYS 61 51.818 -2.973 -4.322 503 2HG LYS 61 HG1 LYS 61 50.716 -2.236 -3.161 504 1HD LYS 61 HD2 LYS 61 51.673 -0.220 -3.470 505 2HD LYS 61 HD1 LYS 61 53.258 -0.875 -3.067 506 1HE LYS 61 HE2 LYS 61 53.388 -1.774 -5.436 507 2HE LYS 61 HE1 LYS 61 51.927 -0.830 -5.792 508 1HZ LYS 61 HZ1 LYS 61 54.112 0.493 -4.360 509 2HZ LYS 61 HZ3 LYS 61 54.311 0.231 -6.024 510 3HZ LYS 61 HZ2 LYS 61 52.991 1.141 -5.461 511 H ARG 62 HN ARG 62 51.317 -3.137 0.518 512 HA ARG 62 HA ARG 62 53.383 -4.150 2.114 513 1HB ARG 62 HB2 ARG 62 50.474 -3.560 2.771 514 2HB ARG 62 HB1 ARG 62 51.760 -3.693 3.972 515 1HG ARG 62 HG2 ARG 62 51.952 -1.776 1.649 516 2HG ARG 62 HG1 ARG 62 51.164 -1.326 3.163 517 1HD ARG 62 HD2 ARG 62 53.849 -2.596 3.412 518 2HD ARG 62 HD1 ARG 62 53.807 -0.944 2.767 519 HE ARG 62 HE ARG 62 53.325 -1.602 5.494 520 1HH1 ARG 62 HH11 ARG 62 50.575 -1.110 5.320 521 2HH1 ARG 62 HH12 ARG 62 50.400 0.612 5.271 522 1HH2 ARG 62 HH21 ARG 62 53.701 1.189 4.379 523 2HH2 ARG 62 HH22 ARG 62 52.168 1.913 4.736 524 H ALA 63 HN ALA 63 50.548 -5.724 0.871 525 HA ALA 63 HA ALA 63 50.908 -8.104 2.617 526 1HB ALA 63 HB3 ALA 63 48.749 -6.733 1.463 527 2HB ALA 63 HB2 ALA 63 48.890 -8.209 0.509 528 3HB ALA 63 HB1 ALA 63 48.670 -8.306 2.256 529 H ALA 64 HN ALA 64 51.474 -6.883 -0.583 530 HA ALA 64 HA ALA 64 52.027 -9.519 -1.792 531 1HB ALA 64 HB3 ALA 64 51.051 -7.182 -2.723 532 2HB ALA 64 HB2 ALA 64 52.762 -6.914 -3.055 533 3HB ALA 64 HB1 ALA 64 51.934 -8.301 -3.763 534 H TYR 65 HN TYR 65 53.827 -6.509 -1.142 535 HA TYR 65 HA TYR 65 56.406 -7.602 -1.829 536 1HB TYR 65 HB2 TYR 65 55.192 -5.151 -1.258 537 2HB TYR 65 HB1 TYR 65 56.394 -5.347 0.008 538 HD1 TYR 65 HD1 TYR 65 55.980 -5.654 -3.702 539 HD2 TYR 65 HD2 TYR 65 58.661 -4.899 -0.432 540 HE1 TYR 65 HE1 TYR 65 57.788 -5.109 -5.309 541 HE2 TYR 65 HE2 TYR 65 60.469 -4.354 -2.040 542 HH TYR 65 HH TYR 65 61.002 -4.960 -4.478 543 H ASP 66 HN ASP 66 54.582 -7.343 1.194 544 HA ASP 66 HA ASP 66 56.709 -7.752 2.995 545 1HB ASP 66 HB2 ASP 66 54.887 -8.616 4.484 546 2HB ASP 66 HB1 ASP 66 54.446 -7.121 3.658 547 H GLN 67 HN GLN 67 54.964 -10.037 0.945 548 HA GLN 67 HA GLN 67 56.371 -12.335 2.222 549 1HB GLN 67 HB2 GLN 67 54.737 -13.656 0.951 550 2HB GLN 67 HB1 GLN 67 53.912 -12.374 1.836 551 1HG GLN 67 HG2 GLN 67 53.567 -11.085 -0.102 552 2HG GLN 67 HG1 GLN 67 54.819 -11.941 -1.004 553 1HE2 GLN 67 HE22 GLN 67 51.624 -13.334 -2.238 554 2HE2 GLN 67 HE21 GLN 67 52.461 -11.861 -2.342 555 H TYR 68 HN TYR 68 56.311 -10.435 -0.730 556 HA TYR 68 HA TYR 68 58.156 -12.370 -2.064 557 1HB TYR 68 HB2 TYR 68 56.240 -10.225 -2.872 558 2HB TYR 68 HB1 TYR 68 57.634 -10.496 -3.923 559 HD1 TYR 68 HD1 TYR 68 58.142 -13.015 -4.515 560 HD2 TYR 68 HD2 TYR 68 54.345 -11.564 -3.126 561 HE1 TYR 68 HE1 TYR 68 57.025 -15.009 -5.480 562 HE2 TYR 68 HE2 TYR 68 53.230 -13.558 -4.089 563 HH TYR 68 HH TYR 68 53.898 -15.923 -4.699 564 H GLY 69 HN GLY 69 57.892 -8.795 -2.006 565 1HA GLY 69 HA2 GLY 69 59.536 -7.161 -1.611 566 2HA GLY 69 HA1 GLY 69 60.497 -8.412 -0.821 567 H HIS 70 HN HIS 70 59.322 -8.608 -4.152 568 HA HIS 70 HA HIS 70 61.946 -7.867 -5.251 569 1HB HIS 70 HB2 HIS 70 62.047 -10.241 -4.313 570 2HB HIS 70 HB1 HIS 70 60.892 -10.687 -5.574 571 HD1 HIS 70 HD1 HIS 70 64.009 -8.478 -5.679 572 HD2 HIS 70 HD2 HIS 70 62.402 -11.812 -7.594 573 HE1 HIS 70 HE1 HIS 70 65.629 -9.089 -7.527 574 H ALA 71 HN ALA 71 60.597 -10.110 -7.303 575 HA ALA 71 HA ALA 71 59.430 -7.998 -8.992 576 1HB ALA 71 HB1 ALA 71 60.069 -10.940 -9.241 577 2HB ALA 71 HB3 ALA 71 59.190 -10.081 -10.506 578 3HB ALA 71 HB2 ALA 71 60.828 -9.585 -10.078 579 H ALA 72 HN ALA 72 58.104 -8.888 -6.426 580 HA ALA 72 HA ALA 72 55.954 -10.564 -6.524 581 1HB ALA 72 HB1 ALA 72 56.751 -8.571 -4.924 582 2HB ALA 72 HB3 ALA 72 55.402 -7.743 -5.703 583 3HB ALA 72 HB2 ALA 72 55.122 -9.243 -4.817 584 H PHE 73 HN PHE 73 55.744 -7.198 -7.767 585 HA PHE 73 HA PHE 73 53.564 -8.135 -9.608 586 1HB PHE 73 HB2 PHE 73 53.646 -6.151 -7.557 587 2HB PHE 73 HB1 PHE 73 53.498 -5.312 -9.101 588 HD1 PHE 73 HD2 PHE 73 51.899 -6.920 -10.796 589 HD2 PHE 73 HD1 PHE 73 51.568 -6.428 -6.542 590 HE1 PHE 73 HE2 PHE 73 49.501 -7.539 -10.910 591 HE2 PHE 73 HE1 PHE 73 49.169 -7.046 -6.657 592 HZ PHE 73 HZ PHE 73 48.135 -7.602 -8.842 593 H GLU 74 HN GLU 74 55.150 -8.504 -11.322 594 HA GLU 74 HA GLU 74 55.986 -5.973 -12.656 595 1HB GLU 74 HB2 GLU 74 57.696 -7.589 -11.151 596 2HB GLU 74 HB1 GLU 74 58.003 -8.082 -12.817 597 1HG GLU 74 HG2 GLU 74 59.442 -6.281 -12.698 598 2HG GLU 74 HG1 GLU 74 57.980 -5.440 -13.210 599 H GLN 75 HN GLN 75 53.830 -7.440 -13.488 600 HA GLN 75 HA GLN 75 54.332 -9.610 -15.275 601 1HB GLN 75 HB2 GLN 75 52.085 -8.927 -16.160 602 2HB GLN 75 HB1 GLN 75 52.130 -9.020 -14.399 603 1HG GLN 75 HG2 GLN 75 51.348 -6.902 -14.383 604 2HG GLN 75 HG1 GLN 75 52.941 -6.409 -14.957 605 1HE2 GLN 75 HE22 GLN 75 50.924 -5.012 -17.597 606 2HE2 GLN 75 HE21 GLN 75 51.595 -4.643 -16.083 607 H GLY 76 HN GLY 76 55.048 -6.248 -15.569 608 1HA GLY 76 HA2 GLY 76 55.849 -6.700 -18.395 609 2HA GLY 76 HA1 GLY 76 54.817 -5.317 -18.035 610 H GLY 77 HN GLY 77 55.956 -4.537 -15.564 611 1HA GLY 77 HA2 GLY 77 58.819 -4.291 -15.709 612 2HA GLY 77 HA1 GLY 77 58.052 -2.845 -16.368 No H/Q in entry = 612 Start of MODEL 4 1 1H ALA 1 HT3 ALA 1 63.664 -13.093 11.851 2 2H ALA 1 HT2 ALA 1 62.325 -13.582 12.774 3 3H ALA 1 HT1 ALA 1 63.740 -14.522 12.762 4 HA ALA 1 HA ALA 1 63.317 -15.422 10.711 5 1HB ALA 1 HB2 ALA 1 60.934 -14.806 12.373 6 2HB ALA 1 HB1 ALA 1 60.597 -15.398 10.746 7 3HB ALA 1 HB3 ALA 1 61.566 -16.369 11.855 8 H LYS 2 HN LYS 2 64.005 -14.091 8.976 9 HA LYS 2 HA LYS 2 63.761 -12.628 7.135 10 1HB LYS 2 HB2 LYS 2 61.376 -14.183 7.580 11 2HB LYS 2 HB1 LYS 2 60.926 -12.604 6.935 12 1HG LYS 2 HG2 LYS 2 63.145 -13.304 5.419 13 2HG LYS 2 HG1 LYS 2 62.283 -14.831 5.610 14 1HD LYS 2 HD2 LYS 2 60.556 -14.154 4.302 15 2HD LYS 2 HD1 LYS 2 60.530 -12.543 5.019 16 1HE LYS 2 HE2 LYS 2 61.259 -12.034 2.856 17 2HE LYS 2 HE1 LYS 2 62.819 -12.290 3.663 18 1HZ LYS 2 HZ2 LYS 2 61.364 -14.607 2.592 19 2HZ LYS 2 HZ1 LYS 2 62.237 -13.625 1.515 20 3HZ LYS 2 HZ3 LYS 2 63.035 -14.389 2.801 21 H GLN 3 HN GLN 3 64.306 -10.555 7.836 22 HA GLN 3 HA GLN 3 62.464 -9.004 9.548 23 1HB GLN 3 HB2 GLN 3 65.259 -9.025 8.732 24 2HB GLN 3 HB1 GLN 3 64.575 -7.403 8.615 25 1HG GLN 3 HG2 GLN 3 65.552 -7.966 10.879 26 2HG GLN 3 HG1 GLN 3 63.865 -7.454 10.917 27 1HE2 GLN 3 HE22 GLN 3 64.524 -11.502 11.319 28 2HE2 GLN 3 HE21 GLN 3 65.469 -10.620 10.219 29 H ASP 4 HN ASP 4 60.798 -7.955 8.622 30 HA ASP 4 HA ASP 4 60.195 -7.560 5.947 31 1HB ASP 4 HB2 ASP 4 58.922 -7.071 8.136 32 2HB ASP 4 HB1 ASP 4 59.706 -5.492 8.096 33 H TYR 5 HN TYR 5 60.152 -5.294 4.822 34 HA TYR 5 HA TYR 5 62.912 -4.159 4.974 35 1HB TYR 5 HB2 TYR 5 61.426 -3.260 2.677 36 2HB TYR 5 HB1 TYR 5 62.860 -4.285 2.724 37 HD1 TYR 5 HD1 TYR 5 62.630 -6.755 2.870 38 HD2 TYR 5 HD2 TYR 5 59.221 -4.192 2.366 39 HE1 TYR 5 HE1 TYR 5 61.271 -8.704 2.166 40 HE2 TYR 5 HE2 TYR 5 57.860 -6.142 1.662 41 HH TYR 5 HH TYR 5 58.246 -8.957 2.254 42 H TYR 6 HN TYR 6 60.127 -3.441 6.403 43 HA TYR 6 HA TYR 6 59.883 -0.592 5.684 44 1HB TYR 6 HB2 TYR 6 58.160 -2.437 6.592 45 2HB TYR 6 HB1 TYR 6 58.673 -1.754 8.133 46 HD1 TYR 6 HD2 TYR 6 59.297 1.030 6.725 47 HD2 TYR 6 HD1 TYR 6 55.868 -1.548 6.925 48 HE1 TYR 6 HE2 TYR 6 57.810 2.979 6.359 49 HE2 TYR 6 HE1 TYR 6 54.382 0.403 6.564 50 HH TYR 6 HH TYR 6 55.725 3.678 6.111 51 H GLU 7 HN GLU 7 61.351 -2.620 8.126 52 HA GLU 7 HA GLU 7 62.195 -0.323 9.778 53 1HB GLU 7 HB2 GLU 7 62.456 -3.332 9.829 54 2HB GLU 7 HB1 GLU 7 63.396 -2.331 10.937 55 1HG GLU 7 HG2 GLU 7 61.130 -1.204 11.510 56 2HG GLU 7 HG1 GLU 7 60.401 -2.620 10.750 57 H ILE 8 HN ILE 8 63.323 -2.325 7.190 58 HA ILE 8 HA ILE 8 66.121 -2.203 7.410 59 HB ILE 8 HB ILE 8 64.048 -2.724 5.452 60 1HG1 ILE 8 HG12 ILE 8 66.073 -4.130 4.541 61 2HG1 ILE 8 HG11 ILE 8 66.850 -3.620 6.041 62 1HG2 ILE 8 HG23 ILE 8 66.425 -1.128 4.523 63 2HG2 ILE 8 HG22 ILE 8 65.689 -2.333 3.466 64 3HG2 ILE 8 HG21 ILE 8 64.735 -0.973 4.053 65 1HD1 ILE 8 HD13 ILE 8 64.317 -4.387 6.871 66 2HD1 ILE 8 HD12 ILE 8 64.711 -5.575 5.628 67 3HD1 ILE 8 HD11 ILE 8 65.782 -5.358 7.014 68 H LEU 9 HN LEU 9 63.828 0.276 6.266 69 HA LEU 9 HA LEU 9 66.014 2.116 5.525 70 1HB LEU 9 HB2 LEU 9 62.991 2.369 5.686 71 2HB LEU 9 HB1 LEU 9 64.051 3.616 5.041 72 HG LEU 9 HG LEU 9 63.615 2.581 3.056 73 1HD1 LEU 9 HD13 LEU 9 65.629 0.656 4.248 74 2HD1 LEU 9 HD12 LEU 9 65.215 0.724 2.535 75 3HD1 LEU 9 HD11 LEU 9 65.978 2.109 3.314 76 1HD2 LEU 9 HD21 LEU 9 62.650 0.458 4.847 77 2HD2 LEU 9 HD23 LEU 9 61.974 1.048 3.330 78 3HD2 LEU 9 HD22 LEU 9 63.278 -0.135 3.310 79 H GLY 10 HN GLY 10 65.471 1.140 8.429 80 1HA GLY 10 HA2 GLY 10 65.540 2.089 10.576 81 2HA GLY 10 HA1 GLY 10 66.217 3.518 9.790 82 H VAL 11 HN VAL 11 63.045 2.055 9.210 83 HA VAL 11 HA VAL 11 61.777 4.638 10.078 84 HB VAL 11 HB VAL 11 60.575 2.582 8.242 85 1HG1 VAL 11 HG13 VAL 11 59.818 5.126 9.226 86 2HG1 VAL 11 HG12 VAL 11 60.138 5.313 7.504 87 3HG1 VAL 11 HG11 VAL 11 58.965 4.118 8.057 88 1HG2 VAL 11 HG23 VAL 11 62.848 3.082 7.391 89 2HG2 VAL 11 HG22 VAL 11 61.588 3.685 6.316 90 3HG2 VAL 11 HG21 VAL 11 62.450 4.799 7.379 91 H SER 12 HN SER 12 59.567 4.384 10.908 92 HA SER 12 HA SER 12 59.256 1.971 12.609 93 1HB SER 12 HB2 SER 12 58.345 4.786 12.536 94 2HB SER 12 HB1 SER 12 57.081 3.648 12.996 95 HG SER 12 HG SER 12 59.177 4.535 14.423 96 H LYS 13 HN LYS 13 58.618 0.380 11.081 97 HA LYS 13 HA LYS 13 57.199 0.658 8.763 98 1HB LYS 13 HB2 LYS 13 56.772 -1.657 8.909 99 2HB LYS 13 HB1 LYS 13 58.206 -1.402 9.904 100 1HG LYS 13 HG2 LYS 13 56.129 -0.963 11.691 101 2HG LYS 13 HG1 LYS 13 55.526 -2.292 10.700 102 1HD LYS 13 HD2 LYS 13 58.212 -2.931 11.181 103 2HD LYS 13 HD1 LYS 13 57.614 -2.314 12.722 104 1HE LYS 13 HE2 LYS 13 55.998 -3.996 12.924 105 2HE LYS 13 HE1 LYS 13 55.953 -4.295 11.174 106 1HZ LYS 13 HZ2 LYS 13 58.526 -4.631 12.497 107 2HZ LYS 13 HZ1 LYS 13 57.352 -5.811 12.836 108 3HZ LYS 13 HZ3 LYS 13 57.832 -5.529 11.233 109 H THR 14 HN THR 14 55.849 1.375 11.850 110 HA THR 14 HA THR 14 53.074 0.997 10.935 111 HB THR 14 HB THR 14 52.682 2.107 13.211 112 HG1 THR 14 HG1 THR 14 54.355 2.815 14.264 113 1HG2 THR 14 HG23 THR 14 53.235 -0.471 12.572 114 2HG2 THR 14 HG22 THR 14 54.524 -0.153 13.732 115 3HG2 THR 14 HG21 THR 14 52.839 0.060 14.206 116 H ALA 15 HN ALA 15 55.352 3.039 9.951 117 HA ALA 15 HA ALA 15 53.980 5.630 10.285 118 1HB ALA 15 HB3 ALA 15 56.594 4.801 9.901 119 2HB ALA 15 HB2 ALA 15 56.137 5.380 8.300 120 3HB ALA 15 HB1 ALA 15 56.020 6.456 9.691 121 H GLU 16 HN GLU 16 54.694 6.585 7.699 122 HA GLU 16 HA GLU 16 53.186 4.979 5.733 123 1HB GLU 16 HB2 GLU 16 52.382 7.717 6.776 124 2HB GLU 16 HB1 GLU 16 51.681 6.974 5.333 125 1HG GLU 16 HG2 GLU 16 51.218 4.940 6.898 126 2HG GLU 16 HG1 GLU 16 51.444 6.103 8.205 127 H GLU 17 HN GLU 17 53.048 8.021 4.621 128 HA GLU 17 HA GLU 17 55.577 7.773 3.113 129 1HB GLU 17 HB2 GLU 17 53.564 8.266 1.877 130 2HB GLU 17 HB1 GLU 17 53.139 9.572 2.984 131 1HG GLU 17 HG2 GLU 17 55.272 10.736 2.292 132 2HG GLU 17 HG1 GLU 17 55.466 9.502 1.045 133 H ARG 18 HN ARG 18 54.102 9.723 5.626 134 HA ARG 18 HA ARG 18 55.684 12.041 5.552 135 1HB ARG 18 HB2 ARG 18 54.690 12.465 7.603 136 2HB ARG 18 HB1 ARG 18 53.643 11.176 7.023 137 1HG ARG 18 HG2 ARG 18 56.071 10.668 8.769 138 2HG ARG 18 HG1 ARG 18 54.452 10.914 9.416 139 1HD ARG 18 HD2 ARG 18 54.403 8.951 7.265 140 2HD ARG 18 HD1 ARG 18 55.517 8.467 8.558 141 HE ARG 18 HE ARG 18 52.620 9.062 8.926 142 1HH1 ARG 18 HH11 ARG 18 55.605 8.860 10.528 143 2HH1 ARG 18 HH12 ARG 18 55.028 7.851 11.812 144 1HH2 ARG 18 HH21 ARG 18 51.889 7.405 10.404 145 2HH2 ARG 18 HH22 ARG 18 52.921 7.028 11.744 146 H GLU 19 HN GLU 19 56.580 8.853 6.886 147 HA GLU 19 HA GLU 19 59.147 10.084 7.774 148 1HB GLU 19 HB2 GLU 19 57.417 8.115 8.839 149 2HB GLU 19 HB1 GLU 19 58.901 7.282 8.359 150 1HG GLU 19 HG2 GLU 19 60.126 8.298 9.955 151 2HG GLU 19 HG1 GLU 19 59.403 9.872 9.619 152 H ILE 20 HN ILE 20 57.790 7.579 5.686 153 HA ILE 20 HA ILE 20 60.314 6.578 4.831 154 HB ILE 20 HB ILE 20 57.534 6.207 4.323 155 1HG1 ILE 20 HG12 ILE 20 58.342 4.039 3.552 156 2HG1 ILE 20 HG11 ILE 20 59.969 4.694 3.361 157 1HG2 ILE 20 HG23 ILE 20 59.205 6.627 1.828 158 2HG2 ILE 20 HG22 ILE 20 57.728 5.665 1.842 159 3HG2 ILE 20 HG21 ILE 20 57.663 7.384 2.228 160 1HD1 ILE 20 HD12 ILE 20 58.551 4.840 6.016 161 2HD1 ILE 20 HD11 ILE 20 59.436 3.390 5.542 162 3HD1 ILE 20 HD13 ILE 20 60.280 4.930 5.682 163 H ARG 21 HN ARG 21 58.769 9.600 4.334 164 HA ARG 21 HA ARG 21 60.140 10.123 1.781 165 1HB ARG 21 HB2 ARG 21 58.852 12.144 1.791 166 2HB ARG 21 HB1 ARG 21 57.797 10.921 2.499 167 1HG ARG 21 HG2 ARG 21 58.516 11.652 4.764 168 2HG ARG 21 HG1 ARG 21 59.488 12.923 4.024 169 1HD ARG 21 HD2 ARG 21 57.370 13.772 2.914 170 2HD ARG 21 HD1 ARG 21 56.469 12.633 3.935 171 HE ARG 21 HE ARG 21 58.351 14.607 5.163 172 1HH1 ARG 21 HH11 ARG 21 57.492 13.733 7.441 173 2HH1 ARG 21 HH12 ARG 21 55.848 14.213 7.700 174 1HH2 ARG 21 HH21 ARG 21 55.264 14.962 4.364 175 2HH2 ARG 21 HH22 ARG 21 54.587 14.910 5.958 176 H LYS 22 HN LYS 22 60.469 10.928 5.174 177 HA LYS 22 HA LYS 22 62.830 12.632 4.631 178 1HB LYS 22 HB2 LYS 22 60.994 13.281 6.245 179 2HB LYS 22 HB1 LYS 22 61.420 11.874 7.220 180 1HG LYS 22 HG2 LYS 22 63.861 12.950 7.009 181 2HG LYS 22 HG1 LYS 22 62.913 14.425 6.816 182 1HD LYS 22 HD2 LYS 22 63.479 13.971 9.200 183 2HD LYS 22 HD1 LYS 22 61.738 13.989 8.913 184 1HE LYS 22 HE2 LYS 22 61.522 11.799 9.489 185 2HE LYS 22 HE1 LYS 22 62.948 11.329 8.541 186 1HZ LYS 22 HZ1 LYS 22 63.170 12.876 11.056 187 2HZ LYS 22 HZ3 LYS 22 63.166 11.180 11.052 188 3HZ LYS 22 HZ2 LYS 22 64.390 12.028 10.232 189 H ALA 23 HN ALA 23 61.778 9.504 5.723 190 HA ALA 23 HA ALA 23 64.303 8.703 6.968 191 1HB ALA 23 HB2 ALA 23 61.946 7.137 5.853 192 2HB ALA 23 HB1 ALA 23 63.202 6.470 6.896 193 3HB ALA 23 HB3 ALA 23 62.106 7.706 7.516 194 H TYR 24 HN TYR 24 62.670 7.828 3.890 195 HA TYR 24 HA TYR 24 64.832 6.378 2.751 196 1HB TYR 24 HB2 TYR 24 62.674 6.260 1.744 197 2HB TYR 24 HB1 TYR 24 62.547 8.016 1.647 198 HD1 TYR 24 HD1 TYR 24 65.667 6.242 0.829 199 HD2 TYR 24 HD2 TYR 24 62.110 8.058 -0.750 200 HE1 TYR 24 HE1 TYR 24 66.661 6.217 -1.443 201 HE2 TYR 24 HE2 TYR 24 63.102 8.030 -3.022 202 HH TYR 24 HH TYR 24 66.433 6.906 -3.557 203 H LYS 25 HN LYS 25 63.858 9.776 2.263 204 HA LYS 25 HA LYS 25 66.045 10.605 0.674 205 1HB LYS 25 HB2 LYS 25 64.084 11.876 2.555 206 2HB LYS 25 HB1 LYS 25 65.397 12.860 1.909 207 1HG LYS 25 HG2 LYS 25 64.734 12.282 -0.384 208 2HG LYS 25 HG1 LYS 25 63.447 11.247 0.236 209 1HD LYS 25 HD2 LYS 25 62.443 13.357 -0.358 210 2HD LYS 25 HD1 LYS 25 62.498 13.281 1.403 211 1HE LYS 25 HE2 LYS 25 63.287 15.479 0.776 212 2HE LYS 25 HE1 LYS 25 64.722 14.550 1.252 213 1HZ LYS 25 HZ1 LYS 25 63.732 14.554 -1.535 214 2HZ LYS 25 HZ3 LYS 25 64.806 15.746 -0.984 215 3HZ LYS 25 HZ2 LYS 25 65.268 14.111 -0.961 216 H ARG 26 HN ARG 26 65.635 11.276 4.201 217 HA ARG 26 HA ARG 26 68.194 12.263 4.737 218 1HB ARG 26 HB2 ARG 26 66.377 10.435 6.322 219 2HB ARG 26 HB1 ARG 26 67.843 11.122 7.011 220 1HG ARG 26 HG2 ARG 26 65.729 12.837 5.694 221 2HG ARG 26 HG1 ARG 26 65.702 12.457 7.417 222 1HD ARG 26 HD2 ARG 26 68.148 13.313 7.455 223 2HD ARG 26 HD1 ARG 26 67.767 14.043 5.883 224 HE ARG 26 HE ARG 26 65.616 14.760 7.470 225 1HH1 ARG 26 HH11 ARG 26 66.797 15.017 9.941 226 2HH1 ARG 26 HH12 ARG 26 67.752 16.462 9.897 227 1HH2 ARG 26 HH21 ARG 26 67.814 16.630 6.434 228 2HH2 ARG 26 HH22 ARG 26 68.330 17.375 7.910 229 H LEU 27 HN LEU 27 67.312 8.773 4.870 230 HA LEU 27 HA LEU 27 70.071 7.959 5.263 231 1HB LEU 27 HB2 LEU 27 67.453 6.856 5.335 232 2HB LEU 27 HB1 LEU 27 68.402 5.879 4.211 233 HG LEU 27 HG LEU 27 68.655 5.021 6.506 234 1HD1 LEU 27 HD13 LEU 27 70.669 5.539 4.713 235 2HD1 LEU 27 HD12 LEU 27 71.288 6.315 6.170 236 3HD1 LEU 27 HD11 LEU 27 70.875 4.600 6.192 237 1HD2 LEU 27 HD23 LEU 27 69.203 7.912 7.011 238 2HD2 LEU 27 HD22 LEU 27 68.367 6.736 8.025 239 3HD2 LEU 27 HD21 LEU 27 70.130 6.742 7.952 240 H ALA 28 HN ALA 28 67.963 8.307 2.432 241 HA ALA 28 HA ALA 28 69.771 6.933 0.619 242 1HB ALA 28 HB3 ALA 28 67.587 8.980 0.166 243 2HB ALA 28 HB2 ALA 28 68.313 7.967 -1.082 244 3HB ALA 28 HB1 ALA 28 67.364 7.231 0.210 245 H MET 29 HN MET 29 69.387 10.208 1.827 246 HA MET 29 HA MET 29 70.781 11.766 -0.017 247 1HB MET 29 HB2 MET 29 70.907 11.604 2.999 248 2HB MET 29 HB1 MET 29 71.586 12.947 2.077 249 1HG MET 29 HG2 MET 29 68.951 12.488 1.111 250 2HG MET 29 HG1 MET 29 68.871 12.535 2.872 251 1HE MET 29 HE2 MET 29 68.530 14.070 4.030 252 2HE MET 29 HE1 MET 29 69.881 15.170 4.289 253 3HE MET 29 HE3 MET 29 68.351 15.779 3.645 254 H LYS 30 HN LYS 30 72.030 9.686 2.523 255 HA LYS 30 HA LYS 30 74.809 10.000 2.248 256 1HB LYS 30 HB2 LYS 30 72.808 8.174 3.307 257 2HB LYS 30 HB1 LYS 30 74.233 7.304 2.737 258 1HG LYS 30 HG2 LYS 30 75.233 7.864 4.678 259 2HG LYS 30 HG1 LYS 30 75.288 9.517 4.065 260 1HD LYS 30 HD2 LYS 30 72.650 9.098 5.013 261 2HD LYS 30 HD1 LYS 30 73.735 8.468 6.252 262 1HE LYS 30 HE2 LYS 30 74.862 10.563 6.479 263 2HE LYS 30 HE1 LYS 30 74.137 11.194 4.986 264 1HZ LYS 30 HZ3 LYS 30 72.258 10.187 6.950 265 2HZ LYS 30 HZ2 LYS 30 73.093 11.590 7.421 266 3HZ LYS 30 HZ1 LYS 30 72.177 11.582 5.990 267 H TYR 31 HN TYR 31 72.497 8.600 0.130 268 HA TYR 31 HA TYR 31 74.675 7.384 -1.539 269 1HB TYR 31 HB2 TYR 31 71.791 6.496 -1.454 270 2HB TYR 31 HB1 TYR 31 73.202 5.582 -1.996 271 HD1 TYR 31 HD1 TYR 31 75.141 6.027 0.136 272 HD2 TYR 31 HD2 TYR 31 70.909 5.349 0.399 273 HE1 TYR 31 HE1 TYR 31 75.438 5.082 2.408 274 HE2 TYR 31 HE2 TYR 31 71.203 4.404 2.675 275 HH TYR 31 HH TYR 31 72.733 3.625 4.158 276 H HIS 32 HN HIS 32 71.808 9.405 -1.477 277 HA HIS 32 HA HIS 32 70.622 9.651 -3.828 278 1HB HIS 32 HB2 HIS 32 71.588 11.452 -1.846 279 2HB HIS 32 HB1 HIS 32 71.828 12.219 -3.421 280 HD1 HIS 32 HD1 HIS 32 69.860 13.666 -3.892 281 HD2 HIS 32 HD2 HIS 32 68.721 10.082 -2.090 282 HE1 HIS 32 HE1 HIS 32 67.329 13.693 -3.777 283 HA PRO 33 HA PRO 33 74.309 9.205 -6.525 284 1HB PRO 33 HB2 PRO 33 72.850 8.084 -8.562 285 2HB PRO 33 HB1 PRO 33 73.504 7.150 -7.200 286 1HG PRO 33 HG2 PRO 33 70.755 8.265 -7.574 287 2HG PRO 33 HG1 PRO 33 71.248 6.646 -7.034 288 1HD PRO 33 HD2 PRO 33 70.490 8.490 -5.277 289 2HD PRO 33 HD1 PRO 33 71.840 7.392 -4.916 290 H ASP 34 HN ASP 34 71.140 10.685 -7.045 291 HA ASP 34 HA ASP 34 71.273 11.930 -9.503 292 1HB ASP 34 HB2 ASP 34 69.480 12.321 -7.915 293 2HB ASP 34 HB1 ASP 34 70.593 13.075 -6.773 294 H ARG 35 HN ARG 35 73.076 12.776 -6.591 295 HA ARG 35 HA ARG 35 74.789 14.669 -8.127 296 1HB ARG 35 HB2 ARG 35 75.100 15.685 -5.988 297 2HB ARG 35 HB1 ARG 35 73.389 15.285 -6.039 298 1HG ARG 35 HG2 ARG 35 73.944 13.128 -4.849 299 2HG ARG 35 HG1 ARG 35 75.596 13.714 -4.661 300 1HD ARG 35 HD2 ARG 35 73.907 15.828 -3.790 301 2HD ARG 35 HD1 ARG 35 73.293 14.340 -3.042 302 HE ARG 35 HE ARG 35 76.168 14.377 -2.933 303 1HH1 ARG 35 HH11 ARG 35 74.096 16.798 -1.923 304 2HH1 ARG 35 HH12 ARG 35 74.496 16.691 -0.241 305 1HH2 ARG 35 HH21 ARG 35 76.366 13.794 -0.598 306 2HH2 ARG 35 HH22 ARG 35 75.780 14.990 0.509 307 H ASN 36 HN ASN 36 74.582 11.704 -6.340 308 HA ASN 36 HA ASN 36 77.523 11.429 -6.068 309 1HB ASN 36 HB2 ASN 36 75.048 10.071 -4.993 310 2HB ASN 36 HB1 ASN 36 76.647 9.365 -4.780 311 1HD2 ASN 36 HD22 ASN 36 77.736 11.767 -2.413 312 2HD2 ASN 36 HD21 ASN 36 78.219 10.524 -3.463 313 H GLN 37 HN GLN 37 77.014 11.220 -8.766 314 HA GLN 37 HA GLN 37 76.593 8.330 -9.337 315 1HB GLN 37 HB2 GLN 37 76.778 10.837 -11.000 316 2HB GLN 37 HB1 GLN 37 76.822 9.236 -11.737 317 1HG GLN 37 HG2 GLN 37 74.605 8.932 -11.453 318 2HG GLN 37 HG1 GLN 37 74.666 9.494 -9.783 319 1HE2 GLN 37 HE22 GLN 37 74.480 13.024 -11.086 320 2HE2 GLN 37 HE21 GLN 37 75.665 12.148 -10.245 321 H GLY 38 HN GLY 38 79.130 10.283 -8.450 322 1HA GLY 38 HA2 GLY 38 81.194 9.503 -10.288 323 2HA GLY 38 HA1 GLY 38 81.466 9.999 -8.610 324 H ASP 39 HN ASP 39 79.373 7.849 -7.933 325 HA ASP 39 HA ASP 39 81.111 5.431 -8.190 326 1HB ASP 39 HB2 ASP 39 80.486 7.018 -5.895 327 2HB ASP 39 HB1 ASP 39 79.633 5.483 -5.721 328 H LYS 40 HN LYS 40 77.879 6.795 -7.604 329 HA LYS 40 HA LYS 40 75.738 6.001 -8.170 330 1HB LYS 40 HB2 LYS 40 77.357 4.085 -9.748 331 2HB LYS 40 HB1 LYS 40 75.710 4.571 -10.106 332 1HG LYS 40 HG2 LYS 40 76.483 6.865 -10.449 333 2HG LYS 40 HG1 LYS 40 78.125 6.382 -10.030 334 1HD LYS 40 HD2 LYS 40 77.289 4.592 -12.042 335 2HD LYS 40 HD1 LYS 40 76.791 6.195 -12.586 336 1HE LYS 40 HE2 LYS 40 79.004 7.033 -12.539 337 2HE LYS 40 HE1 LYS 40 79.571 5.718 -11.490 338 1HZ LYS 40 HZ1 LYS 40 78.311 4.860 -13.952 339 2HZ LYS 40 HZ3 LYS 40 79.774 5.690 -14.171 340 3HZ LYS 40 HZ2 LYS 40 79.727 4.295 -13.204 341 H GLU 41 HN GLU 41 77.842 4.401 -6.328 342 HA GLU 41 HA GLU 41 77.028 1.730 -6.045 343 1HB GLU 41 HB2 GLU 41 78.867 3.082 -4.875 344 2HB GLU 41 HB1 GLU 41 77.612 3.631 -3.762 345 1HG GLU 41 HG2 GLU 41 78.424 1.755 -2.642 346 2HG GLU 41 HG1 GLU 41 77.081 1.061 -3.552 347 H ALA 42 HN ALA 42 75.235 4.624 -5.394 348 HA ALA 42 HA ALA 42 73.368 3.518 -3.457 349 1HB ALA 42 HB1 ALA 42 74.019 5.980 -4.070 350 2HB ALA 42 HB3 ALA 42 72.842 5.795 -5.369 351 3HB ALA 42 HB2 ALA 42 72.332 5.634 -3.689 352 H GLU 43 HN GLU 43 73.675 3.636 -6.932 353 HA GLU 43 HA GLU 43 71.151 3.171 -7.945 354 1HB GLU 43 HB2 GLU 43 73.309 3.262 -9.172 355 2HB GLU 43 HB1 GLU 43 73.716 1.663 -8.548 356 1HG GLU 43 HG2 GLU 43 71.927 0.628 -9.748 357 2HG GLU 43 HG1 GLU 43 71.186 2.184 -10.125 358 H ALA 44 HN ALA 44 73.237 0.851 -6.231 359 HA ALA 44 HA ALA 44 71.262 -1.328 -6.445 360 1HB ALA 44 HB2 ALA 44 74.032 -1.007 -5.956 361 2HB ALA 44 HB1 ALA 44 73.360 -1.660 -4.462 362 3HB ALA 44 HB3 ALA 44 73.134 -2.525 -5.982 363 H LYS 45 HN LYS 45 72.700 0.557 -3.717 364 HA LYS 45 HA LYS 45 70.986 -0.392 -1.694 365 1HB LYS 45 HB2 LYS 45 72.862 1.710 -2.100 366 2HB LYS 45 HB1 LYS 45 71.416 2.429 -1.376 367 1HG LYS 45 HG2 LYS 45 72.111 1.616 0.605 368 2HG LYS 45 HG1 LYS 45 71.770 0.001 -0.024 369 1HD LYS 45 HD2 LYS 45 74.234 0.783 -1.161 370 2HD LYS 45 HD1 LYS 45 74.326 1.204 0.550 371 1HE LYS 45 HE2 LYS 45 73.229 -1.227 0.825 372 2HE LYS 45 HE1 LYS 45 74.061 -1.489 -0.721 373 1HZ LYS 45 HZ2 LYS 45 75.924 -0.141 0.578 374 2HZ LYS 45 HZ1 LYS 45 75.179 -0.892 1.907 375 3HZ LYS 45 HZ3 LYS 45 75.816 -1.834 0.648 376 H PHE 46 HN PHE 46 70.325 1.699 -4.395 377 HA PHE 46 HA PHE 46 67.921 2.946 -3.436 378 1HB PHE 46 HB2 PHE 46 68.875 3.769 -5.453 379 2HB PHE 46 HB1 PHE 46 69.099 2.151 -6.109 380 HD1 PHE 46 HD2 PHE 46 66.910 0.768 -6.544 381 HD2 PHE 46 HD1 PHE 46 67.034 5.040 -6.113 382 HE1 PHE 46 HE2 PHE 46 64.736 0.949 -7.725 383 HE2 PHE 46 HE1 PHE 46 64.862 5.222 -7.300 384 HZ PHE 46 HZ PHE 46 63.714 3.177 -8.106 385 H LYS 47 HN LYS 47 68.725 -0.240 -4.640 386 HA LYS 47 HA LYS 47 66.013 -1.138 -4.904 387 1HB LYS 47 HB2 LYS 47 67.065 -3.116 -5.653 388 2HB LYS 47 HB1 LYS 47 68.298 -1.916 -6.008 389 1HG LYS 47 HG2 LYS 47 69.745 -2.921 -4.627 390 2HG LYS 47 HG1 LYS 47 68.592 -2.904 -3.295 391 1HD LYS 47 HD2 LYS 47 68.240 -4.831 -5.562 392 2HD LYS 47 HD1 LYS 47 69.375 -5.198 -4.262 393 1HE LYS 47 HE2 LYS 47 67.293 -4.481 -2.742 394 2HE LYS 47 HE1 LYS 47 66.395 -5.014 -4.179 395 1HZ LYS 47 HZ3 LYS 47 68.638 -6.639 -3.192 396 2HZ LYS 47 HZ2 LYS 47 67.134 -6.755 -2.410 397 3HZ LYS 47 HZ1 LYS 47 67.266 -7.123 -4.064 398 H GLU 48 HN GLU 48 68.042 -0.402 -2.324 399 HA GLU 48 HA GLU 48 66.894 -2.442 -0.566 400 1HB GLU 48 HB2 GLU 48 68.929 -0.232 -0.174 401 2HB GLU 48 HB1 GLU 48 68.406 -1.301 1.126 402 1HG GLU 48 HG2 GLU 48 69.162 -2.748 -1.309 403 2HG GLU 48 HG1 GLU 48 70.492 -1.820 -0.613 404 H ILE 49 HN ILE 49 66.677 0.983 -1.296 405 HA ILE 49 HA ILE 49 64.548 1.218 0.788 406 HB ILE 49 HB ILE 49 66.066 3.314 -0.784 407 1HG1 ILE 49 HG12 ILE 49 66.810 3.530 1.858 408 2HG1 ILE 49 HG11 ILE 49 66.708 1.779 1.632 409 1HG2 ILE 49 HG21 ILE 49 63.866 3.340 1.200 410 2HG2 ILE 49 HG23 ILE 49 65.129 4.550 1.418 411 3HG2 ILE 49 HG22 ILE 49 64.230 4.476 -0.097 412 1HD1 ILE 49 HD13 ILE 49 67.894 2.724 -0.708 413 2HD1 ILE 49 HD12 ILE 49 68.663 3.646 0.584 414 3HD1 ILE 49 HD11 ILE 49 68.705 1.883 0.612 415 H LYS 50 HN LYS 50 65.309 2.263 -2.576 416 HA LYS 50 HA LYS 50 62.568 3.015 -2.998 417 1HB LYS 50 HB2 LYS 50 65.052 3.310 -4.261 418 2HB LYS 50 HB1 LYS 50 64.075 2.401 -5.417 419 1HG LYS 50 HG2 LYS 50 62.875 4.780 -4.032 420 2HG LYS 50 HG1 LYS 50 63.958 5.033 -5.400 421 1HD LYS 50 HD2 LYS 50 62.361 3.050 -6.377 422 2HD LYS 50 HD1 LYS 50 61.222 3.914 -5.343 423 1HE LYS 50 HE2 LYS 50 61.442 5.919 -6.557 424 2HE LYS 50 HE1 LYS 50 63.001 5.435 -7.252 425 1HZ LYS 50 HZ3 LYS 50 61.878 3.642 -8.429 426 2HZ LYS 50 HZ2 LYS 50 60.383 4.131 -7.786 427 3HZ LYS 50 HZ1 LYS 50 61.219 5.144 -8.862 428 H GLU 51 HN GLU 51 64.310 -0.041 -3.300 429 HA GLU 51 HA GLU 51 62.083 -1.199 -4.909 430 1HB GLU 51 HB2 GLU 51 64.179 -1.987 -5.581 431 2HB GLU 51 HB1 GLU 51 64.794 -1.923 -3.954 432 1HG GLU 51 HG2 GLU 51 64.597 -4.226 -4.409 433 2HG GLU 51 HG1 GLU 51 63.200 -3.843 -3.406 434 H ALA 52 HN ALA 52 63.411 -1.087 -1.670 435 HA ALA 52 HA ALA 52 61.527 -3.081 -0.569 436 1HB ALA 52 HB2 ALA 52 64.049 -2.407 0.027 437 2HB ALA 52 HB1 ALA 52 63.233 -1.236 1.062 438 3HB ALA 52 HB3 ALA 52 62.938 -2.961 1.281 439 H TYR 53 HN TYR 53 62.276 0.376 -0.098 440 HA TYR 53 HA TYR 53 59.889 0.907 1.449 441 1HB TYR 53 HB2 TYR 53 61.172 2.664 1.987 442 2HB TYR 53 HB1 TYR 53 62.381 2.076 0.875 443 HD1 TYR 53 HD1 TYR 53 61.189 2.619 -1.777 444 HD2 TYR 53 HD2 TYR 53 61.103 4.948 1.828 445 HE1 TYR 53 HE1 TYR 53 60.991 4.685 -3.118 446 HE2 TYR 53 HE2 TYR 53 60.885 7.014 0.489 447 HH TYR 53 HH TYR 53 60.872 6.901 -3.079 448 H GLU 54 HN GLU 54 60.180 0.186 -1.737 449 HA GLU 54 HA GLU 54 58.555 2.192 -3.015 450 1HB GLU 54 HB2 GLU 54 59.524 0.946 -4.653 451 2HB GLU 54 HB1 GLU 54 59.804 -0.402 -3.557 452 1HG GLU 54 HG2 GLU 54 57.793 -1.432 -4.095 453 2HG GLU 54 HG1 GLU 54 57.011 0.087 -4.533 454 H VAL 55 HN VAL 55 57.870 -0.648 -1.058 455 HA VAL 55 HA VAL 55 54.973 -0.387 -1.656 456 HB VAL 55 HB VAL 55 54.999 -2.641 -1.444 457 1HG1 VAL 55 HG11 VAL 55 57.356 -2.452 -2.198 458 2HG1 VAL 55 HG13 VAL 55 57.852 -2.504 -0.505 459 3HG1 VAL 55 HG12 VAL 55 57.031 -3.889 -1.227 460 1HG2 VAL 55 HG21 VAL 55 56.119 -2.160 1.316 461 2HG2 VAL 55 HG23 VAL 55 54.421 -2.366 0.888 462 3HG2 VAL 55 HG22 VAL 55 55.540 -3.720 0.732 463 H LEU 56 HN LEU 56 57.312 0.417 0.661 464 HA LEU 56 HA LEU 56 55.791 0.559 3.060 465 1HB LEU 56 HB2 LEU 56 58.089 2.055 1.818 466 2HB LEU 56 HB1 LEU 56 57.607 2.319 3.502 467 HG LEU 56 HG LEU 56 58.645 -0.219 2.220 468 1HD1 LEU 56 HD12 LEU 56 60.180 1.576 3.211 469 2HD1 LEU 56 HD11 LEU 56 59.497 1.147 4.776 470 3HD1 LEU 56 HD13 LEU 56 60.381 -0.058 3.844 471 1HD2 LEU 56 HD21 LEU 56 56.995 0.168 4.695 472 2HD2 LEU 56 HD23 LEU 56 56.923 -1.127 3.502 473 3HD2 LEU 56 HD22 LEU 56 58.238 -1.084 4.676 474 H THR 57 HN THR 57 55.516 2.326 0.139 475 HA THR 57 HA THR 57 54.206 4.655 1.472 476 HB THR 57 HB THR 57 55.141 5.788 -0.263 477 HG1 THR 57 HG1 THR 57 54.238 5.544 -2.259 478 1HG2 THR 57 HG21 THR 57 56.817 3.890 -0.294 479 2HG2 THR 57 HG23 THR 57 55.869 3.165 -1.592 480 3HG2 THR 57 HG22 THR 57 56.637 4.734 -1.833 481 H ASP 58 HN ASP 58 53.583 1.746 -0.271 482 HA ASP 58 HA ASP 58 50.704 2.494 -0.633 483 1HB ASP 58 HB2 ASP 58 52.199 1.888 -2.604 484 2HB ASP 58 HB1 ASP 58 52.309 0.261 -1.919 485 H SER 59 HN SER 59 49.226 0.503 -0.369 486 HA SER 59 HA SER 59 50.097 -1.036 2.048 487 1HB SER 59 HB2 SER 59 48.099 0.455 2.172 488 2HB SER 59 HB1 SER 59 47.348 -0.478 0.880 489 HG SER 59 HG SER 59 46.798 -1.896 2.321 490 H GLN 60 HN GLN 60 48.260 -1.411 -0.993 491 HA GLN 60 HA GLN 60 47.833 -4.167 -1.059 492 1HB GLN 60 HB2 GLN 60 47.996 -3.822 -3.540 493 2HB GLN 60 HB1 GLN 60 47.059 -2.561 -2.733 494 1HG GLN 60 HG2 GLN 60 49.402 -1.360 -2.542 495 2HG GLN 60 HG1 GLN 60 49.826 -2.410 -3.896 496 1HE2 GLN 60 HE22 GLN 60 47.064 0.578 -4.435 497 2HE2 GLN 60 HE21 GLN 60 47.487 0.093 -2.865 498 H LYS 61 HN LYS 61 50.805 -2.411 -1.960 499 HA LYS 61 HA LYS 61 52.260 -4.741 -2.807 500 1HB LYS 61 HB2 LYS 61 53.282 -2.065 -1.814 501 2HB LYS 61 HB1 LYS 61 54.081 -3.160 -2.942 502 1HG LYS 61 HG2 LYS 61 52.170 -2.821 -4.532 503 2HG LYS 61 HG1 LYS 61 51.526 -1.603 -3.429 504 1HD LYS 61 HD2 LYS 61 52.834 -0.104 -4.500 505 2HD LYS 61 HD1 LYS 61 54.209 -0.891 -3.724 506 1HE LYS 61 HE2 LYS 61 54.533 -2.362 -5.621 507 2HE LYS 61 HE1 LYS 61 53.027 -1.802 -6.371 508 1HZ LYS 61 HZ2 LYS 61 54.588 0.432 -5.671 509 2HZ LYS 61 HZ1 LYS 61 55.561 -0.637 -6.563 510 3HZ LYS 61 HZ3 LYS 61 54.104 -0.070 -7.220 511 H ARG 62 HN ARG 62 51.751 -3.076 0.267 512 HA ARG 62 HA ARG 62 53.900 -4.274 1.742 513 1HB ARG 62 HB2 ARG 62 51.095 -3.464 2.608 514 2HB ARG 62 HB1 ARG 62 52.478 -3.670 3.683 515 1HG ARG 62 HG2 ARG 62 52.683 -1.793 1.349 516 2HG ARG 62 HG1 ARG 62 51.865 -1.268 2.820 517 1HD ARG 62 HD2 ARG 62 54.635 -2.499 2.872 518 2HD ARG 62 HD1 ARG 62 54.368 -0.750 2.724 519 HE ARG 62 HE ARG 62 54.134 -2.177 5.162 520 1HH1 ARG 62 HH11 ARG 62 51.484 -2.165 5.563 521 2HH1 ARG 62 HH12 ARG 62 50.975 -0.530 5.832 522 1HH2 ARG 62 HH21 ARG 62 53.842 0.869 4.476 523 2HH2 ARG 62 HH22 ARG 62 52.307 1.185 5.216 524 H ALA 63 HN ALA 63 50.757 -5.357 0.683 525 HA ALA 63 HA ALA 63 50.925 -7.902 2.198 526 1HB ALA 63 HB2 ALA 63 48.925 -6.229 0.864 527 2HB ALA 63 HB1 ALA 63 48.757 -7.928 0.424 528 3HB ALA 63 HB3 ALA 63 48.693 -7.446 2.119 529 H ALA 64 HN ALA 64 51.385 -6.529 -0.978 530 HA ALA 64 HA ALA 64 51.547 -9.075 -2.422 531 1HB ALA 64 HB1 ALA 64 51.225 -6.358 -2.994 532 2HB ALA 64 HB3 ALA 64 52.857 -6.705 -3.563 533 3HB ALA 64 HB2 ALA 64 51.489 -7.623 -4.192 534 H TYR 65 HN TYR 65 53.879 -6.494 -1.676 535 HA TYR 65 HA TYR 65 56.214 -8.037 -2.307 536 1HB TYR 65 HB2 TYR 65 55.515 -5.430 -1.648 537 2HB TYR 65 HB1 TYR 65 56.488 -5.942 -0.277 538 HD1 TYR 65 HD2 TYR 65 56.459 -5.605 -3.971 539 HD2 TYR 65 HD1 TYR 65 58.842 -6.364 -0.478 540 HE1 TYR 65 HE2 TYR 65 58.519 -5.416 -5.336 541 HE2 TYR 65 HE1 TYR 65 60.903 -6.181 -1.847 542 HH TYR 65 HH TYR 65 60.730 -5.679 -5.365 543 H ASP 66 HN ASP 66 54.153 -7.789 0.486 544 HA ASP 66 HA ASP 66 55.799 -8.505 2.582 545 1HB ASP 66 HB2 ASP 66 53.725 -8.550 3.510 546 2HB ASP 66 HB1 ASP 66 53.020 -8.557 1.897 547 H GLN 67 HN GLN 67 54.360 -10.645 0.120 548 HA GLN 67 HA GLN 67 56.490 -12.386 -0.290 549 1HB GLN 67 HB2 GLN 67 55.259 -12.671 2.349 550 2HB GLN 67 HB1 GLN 67 55.276 -14.191 1.453 551 1HG GLN 67 HG2 GLN 67 57.792 -12.897 1.043 552 2HG GLN 67 HG1 GLN 67 57.459 -12.907 2.776 553 1HE2 GLN 67 HE22 GLN 67 56.953 -16.652 2.473 554 2HE2 GLN 67 HE21 GLN 67 55.884 -15.372 2.790 555 H TYR 68 HN TYR 68 54.735 -11.787 -2.093 556 HA TYR 68 HA TYR 68 52.469 -13.704 -2.127 557 1HB TYR 68 HB2 TYR 68 53.184 -11.133 -3.265 558 2HB TYR 68 HB1 TYR 68 52.636 -12.238 -4.530 559 HD1 TYR 68 HD1 TYR 68 51.646 -11.999 -0.926 560 HD2 TYR 68 HD2 TYR 68 50.418 -11.620 -5.026 561 HE1 TYR 68 HE1 TYR 68 49.301 -11.673 -0.193 562 HE2 TYR 68 HE2 TYR 68 48.072 -11.293 -4.292 563 HH TYR 68 HH TYR 68 47.103 -11.770 -0.970 564 H GLY 69 HN GLY 69 53.101 -15.756 -2.752 565 1HA GLY 69 HA2 GLY 69 55.177 -16.049 -4.854 566 2HA GLY 69 HA1 GLY 69 54.541 -17.354 -3.849 567 H HIS 70 HN HIS 70 52.561 -14.981 -5.551 568 HA HIS 70 HA HIS 70 51.775 -17.035 -7.571 569 1HB HIS 70 HB2 HIS 70 50.388 -16.979 -5.363 570 2HB HIS 70 HB1 HIS 70 49.733 -15.470 -6.009 571 HD1 HIS 70 HD1 HIS 70 49.342 -19.097 -6.200 572 HD2 HIS 70 HD2 HIS 70 48.516 -15.870 -8.706 573 HE1 HIS 70 HE1 HIS 70 47.737 -19.952 -7.962 574 H ALA 71 HN ALA 71 52.288 -15.831 -9.404 575 HA ALA 71 HA ALA 71 52.338 -13.961 -10.881 576 1HB ALA 71 HB1 ALA 71 49.597 -13.898 -9.576 577 2HB ALA 71 HB3 ALA 71 50.009 -12.992 -11.032 578 3HB ALA 71 HB2 ALA 71 50.043 -14.756 -11.053 579 H ALA 72 HN ALA 72 53.162 -13.529 -7.966 580 HA ALA 72 HA ALA 72 52.281 -11.134 -6.849 581 1HB ALA 72 HB1 ALA 72 54.320 -12.964 -6.491 582 2HB ALA 72 HB3 ALA 72 55.202 -11.483 -6.864 583 3HB ALA 72 HB2 ALA 72 54.076 -11.521 -5.507 584 H PHE 73 HN PHE 73 55.111 -11.419 -9.039 585 HA PHE 73 HA PHE 73 54.469 -8.683 -10.091 586 1HB PHE 73 HB2 PHE 73 56.666 -9.584 -8.487 587 2HB PHE 73 HB1 PHE 73 57.288 -9.177 -10.085 588 HD1 PHE 73 HD2 PHE 73 56.989 -6.900 -11.014 589 HD2 PHE 73 HD1 PHE 73 55.736 -7.894 -7.027 590 HE1 PHE 73 HE2 PHE 73 56.825 -4.487 -10.463 591 HE2 PHE 73 HE1 PHE 73 55.572 -5.482 -6.477 592 HZ PHE 73 HZ PHE 73 56.116 -3.779 -8.194 593 H GLU 74 HN GLU 74 53.536 -9.853 -11.955 594 HA GLU 74 HA GLU 74 55.404 -11.495 -13.574 595 1HB GLU 74 HB2 GLU 74 52.485 -10.985 -13.350 596 2HB GLU 74 HB1 GLU 74 53.078 -11.386 -14.962 597 1HG GLU 74 HG2 GLU 74 53.930 -13.477 -14.257 598 2HG GLU 74 HG1 GLU 74 53.861 -13.025 -12.552 599 H GLN 75 HN GLN 75 56.814 -9.596 -14.102 600 HA GLN 75 HA GLN 75 57.534 -7.926 -15.606 601 1HB GLN 75 HB2 GLN 75 55.138 -9.035 -17.106 602 2HB GLN 75 HB1 GLN 75 56.426 -8.066 -17.821 603 1HG GLN 75 HG2 GLN 75 57.409 -10.365 -16.281 604 2HG GLN 75 HG1 GLN 75 56.422 -10.819 -17.671 605 1HE2 GLN 75 HE22 GLN 75 60.141 -9.320 -18.262 606 2HE2 GLN 75 HE21 GLN 75 59.518 -9.551 -16.700 607 H GLY 76 HN GLY 76 54.069 -7.712 -16.366 608 1HA GLY 76 HA2 GLY 76 54.107 -4.930 -15.264 609 2HA GLY 76 HA1 GLY 76 53.148 -5.410 -16.665 610 H GLY 77 HN GLY 77 53.582 -6.982 -13.490 611 1HA GLY 77 HA2 GLY 77 50.704 -6.505 -12.922 612 2HA GLY 77 HA1 GLY 77 51.287 -8.171 -12.938 No H/Q in entry = 612 Start of MODEL 5 1 1H ALA 1 HT3 ALA 1 68.218 -14.484 9.057 2 2H ALA 1 HT2 ALA 1 68.802 -15.268 7.666 3 3H ALA 1 HT1 ALA 1 69.855 -14.348 8.633 4 HA ALA 1 HA ALA 1 69.020 -12.332 7.891 5 1HB ALA 1 HB1 ALA 1 69.841 -14.348 6.144 6 2HB ALA 1 HB3 ALA 1 68.421 -13.660 5.356 7 3HB ALA 1 HB2 ALA 1 69.784 -12.624 5.776 8 H LYS 2 HN LYS 2 66.824 -12.979 9.292 9 HA LYS 2 HA LYS 2 64.528 -12.935 7.363 10 1HB LYS 2 HB2 LYS 2 65.135 -14.252 9.895 11 2HB LYS 2 HB1 LYS 2 63.600 -13.386 9.966 12 1HG LYS 2 HG2 LYS 2 63.025 -15.528 9.135 13 2HG LYS 2 HG1 LYS 2 63.073 -14.502 7.700 14 1HD LYS 2 HD2 LYS 2 64.357 -16.295 6.974 15 2HD LYS 2 HD1 LYS 2 65.613 -15.253 7.644 16 1HE LYS 2 HE2 LYS 2 65.975 -16.631 9.461 17 2HE LYS 2 HE1 LYS 2 64.283 -17.162 9.524 18 1HZ LYS 2 HZ3 LYS 2 64.890 -18.101 7.166 19 2HZ LYS 2 HZ2 LYS 2 66.464 -18.109 7.807 20 3HZ LYS 2 HZ1 LYS 2 65.228 -18.992 8.568 21 H GLN 3 HN GLN 3 64.971 -10.548 7.106 22 HA GLN 3 HA GLN 3 63.744 -9.004 9.368 23 1HB GLN 3 HB2 GLN 3 66.046 -8.110 7.606 24 2HB GLN 3 HB1 GLN 3 65.445 -7.313 9.061 25 1HG GLN 3 HG2 GLN 3 66.702 -10.072 8.965 26 2HG GLN 3 HG1 GLN 3 67.496 -8.606 9.542 27 1HE2 GLN 3 HE22 GLN 3 65.601 -10.633 12.272 28 2HE2 GLN 3 HE21 GLN 3 66.439 -11.233 10.924 29 H ASP 4 HN ASP 4 61.941 -8.044 8.654 30 HA ASP 4 HA ASP 4 60.991 -7.955 6.004 31 1HB ASP 4 HB2 ASP 4 59.961 -7.523 8.382 32 2HB ASP 4 HB1 ASP 4 60.372 -5.841 8.049 33 H TYR 5 HN TYR 5 60.306 -5.327 5.414 34 HA TYR 5 HA TYR 5 62.948 -3.947 5.082 35 1HB TYR 5 HB2 TYR 5 61.212 -3.378 2.872 36 2HB TYR 5 HB1 TYR 5 62.768 -4.207 2.852 37 HD1 TYR 5 HD1 TYR 5 62.785 -6.725 3.422 38 HD2 TYR 5 HD2 TYR 5 59.219 -4.549 2.417 39 HE1 TYR 5 HE1 TYR 5 61.638 -8.854 2.880 40 HE2 TYR 5 HE2 TYR 5 58.073 -6.680 1.875 41 HH TYR 5 HH TYR 5 58.623 -9.348 2.807 42 H TYR 6 HN TYR 6 60.094 -3.683 6.591 43 HA TYR 6 HA TYR 6 59.295 -0.983 5.811 44 1HB TYR 6 HB2 TYR 6 57.449 -1.638 6.944 45 2HB TYR 6 HB1 TYR 6 58.237 -3.188 7.196 46 HD1 TYR 6 HD2 TYR 6 58.608 0.278 8.646 47 HD2 TYR 6 HD1 TYR 6 58.117 -3.925 9.375 48 HE1 TYR 6 HE2 TYR 6 58.653 0.688 11.081 49 HE2 TYR 6 HE1 TYR 6 58.147 -3.502 11.816 50 HH TYR 6 HH TYR 6 58.058 -1.918 13.406 51 H GLU 7 HN GLU 7 61.110 -2.508 8.445 52 HA GLU 7 HA GLU 7 61.690 0.050 9.716 53 1HB GLU 7 HB2 GLU 7 61.981 -2.808 10.198 54 2HB GLU 7 HB1 GLU 7 63.446 -1.934 10.650 55 1HG GLU 7 HG2 GLU 7 60.844 -0.739 11.476 56 2HG GLU 7 HG1 GLU 7 61.373 -2.186 12.333 57 H ILE 8 HN ILE 8 63.283 -2.134 7.430 58 HA ILE 8 HA ILE 8 65.941 -1.281 7.540 59 HB ILE 8 HB ILE 8 64.113 -2.561 5.698 60 1HG1 ILE 8 HG12 ILE 8 66.558 -3.358 4.912 61 2HG1 ILE 8 HG11 ILE 8 66.987 -2.635 6.464 62 1HG2 ILE 8 HG22 ILE 8 65.995 -0.524 4.518 63 2HG2 ILE 8 HG21 ILE 8 65.599 -1.998 3.635 64 3HG2 ILE 8 HG23 ILE 8 64.322 -0.865 4.079 65 1HD1 ILE 8 HD13 ILE 8 64.851 -4.011 7.277 66 2HD1 ILE 8 HD12 ILE 8 65.273 -5.012 5.887 67 3HD1 ILE 8 HD11 ILE 8 66.445 -4.762 7.181 68 H LEU 9 HN LEU 9 63.101 0.448 6.391 69 HA LEU 9 HA LEU 9 64.788 2.670 5.345 70 1HB LEU 9 HB2 LEU 9 61.770 2.500 5.437 71 2HB LEU 9 HB1 LEU 9 62.776 3.383 4.293 72 HG LEU 9 HG LEU 9 62.965 0.379 4.461 73 1HD1 LEU 9 HD13 LEU 9 60.791 2.050 3.251 74 2HD1 LEU 9 HD12 LEU 9 61.312 0.588 2.413 75 3HD1 LEU 9 HD11 LEU 9 60.680 0.484 4.056 76 1HD2 LEU 9 HD21 LEU 9 63.831 2.574 2.675 77 2HD2 LEU 9 HD23 LEU 9 64.568 0.996 2.957 78 3HD2 LEU 9 HD22 LEU 9 63.200 1.148 1.854 79 H GLY 10 HN GLY 10 64.362 1.929 8.328 80 1HA GLY 10 HA2 GLY 10 63.853 3.059 10.339 81 2HA GLY 10 HA1 GLY 10 64.388 4.495 9.457 82 H VAL 11 HN VAL 11 61.541 2.373 9.831 83 HA VAL 11 HA VAL 11 59.800 4.794 9.692 84 HB VAL 11 HB VAL 11 59.199 2.315 8.079 85 1HG1 VAL 11 HG13 VAL 11 58.002 4.877 8.481 86 2HG1 VAL 11 HG12 VAL 11 58.517 4.760 6.798 87 3HG1 VAL 11 HG11 VAL 11 57.432 3.545 7.475 88 1HG2 VAL 11 HG23 VAL 11 61.080 4.567 7.367 89 2HG2 VAL 11 HG22 VAL 11 61.348 2.829 7.230 90 3HG2 VAL 11 HG21 VAL 11 60.238 3.639 6.125 91 H SER 12 HN SER 12 57.391 3.254 9.502 92 HA SER 12 HA SER 12 57.403 1.648 12.026 93 1HB SER 12 HB2 SER 12 56.392 3.769 12.492 94 2HB SER 12 HB1 SER 12 55.535 3.775 10.952 95 HG SER 12 HG SER 12 55.096 1.659 12.733 96 H LYS 13 HN LYS 13 56.903 1.667 8.706 97 HA LYS 13 HA LYS 13 56.095 -0.037 7.288 98 1HB LYS 13 HB2 LYS 13 56.023 -2.059 8.277 99 2HB LYS 13 HB1 LYS 13 56.328 -1.227 9.796 100 1HG LYS 13 HG2 LYS 13 53.877 -0.989 10.150 101 2HG LYS 13 HG1 LYS 13 53.590 -1.858 8.643 102 1HD LYS 13 HD2 LYS 13 54.280 -3.888 9.517 103 2HD LYS 13 HD1 LYS 13 55.349 -3.135 10.702 104 1HE LYS 13 HE2 LYS 13 53.085 -2.196 11.704 105 2HE LYS 13 HE1 LYS 13 52.383 -3.584 10.849 106 1HZ LYS 13 HZ1 LYS 13 54.519 -4.733 11.886 107 2HZ LYS 13 HZ3 LYS 13 54.280 -3.540 13.069 108 3HZ LYS 13 HZ2 LYS 13 53.044 -4.652 12.723 109 H THR 14 HN THR 14 53.976 1.241 9.837 110 HA THR 14 HA THR 14 51.596 1.001 8.105 111 HB THR 14 HB THR 14 50.461 1.816 10.102 112 HG1 THR 14 HG1 THR 14 51.470 3.175 11.312 113 1HG2 THR 14 HG23 THR 14 51.927 -0.505 10.007 114 2HG2 THR 14 HG22 THR 14 52.504 0.227 11.505 115 3HG2 THR 14 HG21 THR 14 50.783 -0.094 11.286 116 H ALA 15 HN ALA 15 54.227 3.044 8.406 117 HA ALA 15 HA ALA 15 53.133 5.672 8.252 118 1HB ALA 15 HB2 ALA 15 55.520 5.017 8.675 119 2HB ALA 15 HB1 ALA 15 55.639 4.487 6.997 120 3HB ALA 15 HB3 ALA 15 55.375 6.191 7.367 121 H GLU 16 HN GLU 16 54.164 6.707 5.929 122 HA GLU 16 HA GLU 16 53.023 5.255 3.622 123 1HB GLU 16 HB2 GLU 16 52.056 7.936 4.685 124 2HB GLU 16 HB1 GLU 16 51.629 7.302 3.092 125 1HG GLU 16 HG2 GLU 16 50.977 5.161 4.583 126 2HG GLU 16 HG1 GLU 16 50.717 6.423 5.787 127 H GLU 17 HN GLU 17 53.200 8.538 3.016 128 HA GLU 17 HA GLU 17 55.870 8.257 1.770 129 1HB GLU 17 HB2 GLU 17 53.563 10.202 1.661 130 2HB GLU 17 HB1 GLU 17 55.128 10.625 0.963 131 1HG GLU 17 HG2 GLU 17 54.869 8.197 -0.124 132 2HG GLU 17 HG1 GLU 17 53.157 8.561 0.090 133 H ARG 18 HN ARG 18 54.182 10.083 4.263 134 HA ARG 18 HA ARG 18 55.885 12.130 4.913 135 1HB ARG 18 HB2 ARG 18 55.094 11.662 7.303 136 2HB ARG 18 HB1 ARG 18 53.831 11.808 6.082 137 1HG ARG 18 HG2 ARG 18 53.146 9.848 7.097 138 2HG ARG 18 HG1 ARG 18 54.229 9.171 5.883 139 1HD ARG 18 HD2 ARG 18 55.176 8.140 7.702 140 2HD ARG 18 HD1 ARG 18 55.996 9.701 7.904 141 HE ARG 18 HE ARG 18 54.025 10.357 9.371 142 1HH1 ARG 18 HH21 ARG 18 52.815 7.547 8.532 143 2HH1 ARG 18 HH22 ARG 18 52.934 6.737 10.059 144 1HH2 ARG 18 HH11 ARG 18 55.048 9.107 11.453 145 2HH2 ARG 18 HH12 ARG 18 54.198 7.620 11.712 146 H GLU 19 HN GLU 19 56.453 8.714 5.898 147 HA GLU 19 HA GLU 19 59.026 9.672 7.062 148 1HB GLU 19 HB2 GLU 19 57.109 7.729 7.806 149 2HB GLU 19 HB1 GLU 19 58.572 6.847 7.346 150 1HG GLU 19 HG2 GLU 19 59.809 7.730 9.044 151 2HG GLU 19 HG1 GLU 19 59.007 9.297 8.948 152 H ILE 20 HN ILE 20 57.704 7.362 4.718 153 HA ILE 20 HA ILE 20 60.222 6.360 3.883 154 HB ILE 20 HB ILE 20 57.443 6.267 3.143 155 1HG1 ILE 20 HG12 ILE 20 58.203 4.055 2.256 156 2HG1 ILE 20 HG11 ILE 20 59.863 4.556 2.581 157 1HG2 ILE 20 HG23 ILE 20 59.405 6.743 0.916 158 2HG2 ILE 20 HG22 ILE 20 58.034 5.663 0.664 159 3HG2 ILE 20 HG21 ILE 20 57.760 7.353 1.089 160 1HD1 ILE 20 HD11 ILE 20 57.662 4.409 4.660 161 2HD1 ILE 20 HD13 ILE 20 58.921 3.195 4.439 162 3HD1 ILE 20 HD12 ILE 20 59.350 4.826 4.956 163 H ARG 21 HN ARG 21 58.737 9.467 3.516 164 HA ARG 21 HA ARG 21 60.342 10.163 1.142 165 1HB ARG 21 HB2 ARG 21 59.089 12.224 1.220 166 2HB ARG 21 HB1 ARG 21 57.956 10.943 1.642 167 1HG ARG 21 HG2 ARG 21 58.414 11.409 4.059 168 2HG ARG 21 HG1 ARG 21 59.409 12.779 3.565 169 1HD ARG 21 HD2 ARG 21 57.405 13.709 2.341 170 2HD ARG 21 HD1 ARG 21 56.433 12.417 3.072 171 HE ARG 21 HE ARG 21 57.957 13.697 5.126 172 1HH1 ARG 21 HH21 ARG 21 56.265 15.405 2.856 173 2HH1 ARG 21 HH22 ARG 21 55.054 16.021 3.929 174 1HH2 ARG 21 HH11 ARG 21 55.977 13.980 6.575 175 2HH2 ARG 21 HH12 ARG 21 54.891 15.215 6.033 176 H LYS 22 HN LYS 22 60.266 10.908 4.596 177 HA LYS 22 HA LYS 22 62.660 12.606 4.400 178 1HB LYS 22 HB2 LYS 22 60.817 13.151 5.947 179 2HB LYS 22 HB1 LYS 22 60.966 11.564 6.702 180 1HG LYS 22 HG2 LYS 22 63.449 12.269 7.115 181 2HG LYS 22 HG1 LYS 22 62.849 13.906 6.848 182 1HD LYS 22 HD2 LYS 22 62.810 13.273 9.256 183 2HD LYS 22 HD1 LYS 22 61.198 13.627 8.632 184 1HE LYS 22 HE2 LYS 22 60.632 11.301 8.497 185 2HE LYS 22 HE1 LYS 22 62.319 10.809 8.752 186 1HZ LYS 22 HZ2 LYS 22 61.184 12.602 10.740 187 2HZ LYS 22 HZ1 LYS 22 60.559 11.023 10.736 188 3HZ LYS 22 HZ3 LYS 22 62.223 11.274 10.945 189 H ALA 23 HN ALA 23 61.649 9.354 5.146 190 HA ALA 23 HA ALA 23 64.172 8.533 6.398 191 1HB ALA 23 HB1 ALA 23 61.864 7.521 6.742 192 2HB ALA 23 HB3 ALA 23 61.988 6.862 5.110 193 3HB ALA 23 HB2 ALA 23 63.124 6.351 6.356 194 H TYR 24 HN TYR 24 62.576 7.767 3.269 195 HA TYR 24 HA TYR 24 64.685 6.431 1.992 196 1HB TYR 24 HB2 TYR 24 62.439 6.728 1.068 197 2HB TYR 24 HB1 TYR 24 62.701 8.461 0.923 198 HD1 TYR 24 HD2 TYR 24 65.542 6.278 0.264 199 HD2 TYR 24 HD1 TYR 24 62.173 8.255 -1.522 200 HE1 TYR 24 HE2 TYR 24 66.543 5.953 -1.982 201 HE2 TYR 24 HE1 TYR 24 63.174 7.933 -3.767 202 HH TYR 24 HH TYR 24 65.570 7.605 -4.682 203 H LYS 25 HN LYS 25 64.071 9.908 2.314 204 HA LYS 25 HA LYS 25 66.451 10.726 0.847 205 1HB LYS 25 HB2 LYS 25 64.286 11.971 2.518 206 2HB LYS 25 HB1 LYS 25 65.722 12.923 2.140 207 1HG LYS 25 HG2 LYS 25 64.280 11.448 -0.049 208 2HG LYS 25 HG1 LYS 25 63.678 13.010 0.507 209 1HD LYS 25 HD2 LYS 25 65.907 14.008 0.078 210 2HD LYS 25 HD1 LYS 25 66.476 12.450 -0.523 211 1HE LYS 25 HE2 LYS 25 65.843 13.634 -2.491 212 2HE LYS 25 HE1 LYS 25 64.444 12.592 -2.159 213 1HZ LYS 25 HZ2 LYS 25 64.650 15.254 -0.908 214 2HZ LYS 25 HZ1 LYS 25 64.056 15.108 -2.494 215 3HZ LYS 25 HZ3 LYS 25 63.263 14.322 -1.217 216 H ARG 26 HN ARG 26 65.499 10.661 4.321 217 HA ARG 26 HA ARG 26 68.030 11.590 5.331 218 1HB ARG 26 HB2 ARG 26 66.025 11.558 6.688 219 2HB ARG 26 HB1 ARG 26 65.845 9.818 6.468 220 1HG ARG 26 HG2 ARG 26 66.885 9.762 8.509 221 2HG ARG 26 HG1 ARG 26 68.335 9.869 7.511 222 1HD ARG 26 HD2 ARG 26 68.793 12.000 8.202 223 2HD ARG 26 HD1 ARG 26 67.083 12.476 8.159 224 HE ARG 26 HE ARG 26 66.787 11.461 10.354 225 1HH1 ARG 26 HH11 ARG 26 68.137 9.439 11.267 226 2HH1 ARG 26 HH12 ARG 26 69.688 9.952 11.842 227 1HH2 ARG 26 HH21 ARG 26 69.598 12.988 10.165 228 2HH2 ARG 26 HH22 ARG 26 70.513 11.964 11.220 229 H LEU 27 HN LEU 27 66.817 8.282 4.721 230 HA LEU 27 HA LEU 27 69.281 7.018 5.634 231 1HB LEU 27 HB2 LEU 27 66.619 6.309 4.911 232 2HB LEU 27 HB1 LEU 27 67.707 5.370 3.889 233 HG LEU 27 HG LEU 27 67.143 4.289 6.112 234 1HD1 LEU 27 HD12 LEU 27 69.534 4.401 4.680 235 2HD1 LEU 27 HD11 LEU 27 70.031 4.662 6.353 236 3HD1 LEU 27 HD13 LEU 27 69.122 3.214 5.917 237 1HD2 LEU 27 HD21 LEU 27 67.913 6.880 7.038 238 2HD2 LEU 27 HD23 LEU 27 67.368 5.504 7.997 239 3HD2 LEU 27 HD22 LEU 27 69.085 5.720 7.660 240 H ALA 28 HN ALA 28 68.104 8.284 2.574 241 HA ALA 28 HA ALA 28 69.936 6.806 0.884 242 1HB ALA 28 HB1 ALA 28 68.367 9.366 0.615 243 2HB ALA 28 HB3 ALA 28 69.357 8.717 -0.692 244 3HB ALA 28 HB2 ALA 28 67.989 7.787 -0.078 245 H MET 29 HN MET 29 70.183 9.617 2.912 246 HA MET 29 HA MET 29 72.251 11.119 1.810 247 1HB MET 29 HB2 MET 29 71.014 11.326 4.013 248 2HB MET 29 HB1 MET 29 72.112 10.100 4.648 249 1HG MET 29 HG2 MET 29 73.942 11.506 4.602 250 2HG MET 29 HG1 MET 29 73.311 12.453 3.254 251 1HE MET 29 HE1 MET 29 71.507 13.719 3.195 252 2HE MET 29 HE3 MET 29 70.267 13.768 4.455 253 3HE MET 29 HE2 MET 29 71.412 15.097 4.289 254 H LYS 30 HN LYS 30 72.425 8.124 3.657 255 HA LYS 30 HA LYS 30 75.199 7.646 3.763 256 1HB LYS 30 HB2 LYS 30 72.640 6.286 3.987 257 2HB LYS 30 HB1 LYS 30 73.857 5.228 3.271 258 1HG LYS 30 HG2 LYS 30 74.337 4.836 5.486 259 2HG LYS 30 HG1 LYS 30 75.360 6.251 5.231 260 1HD LYS 30 HD2 LYS 30 73.539 7.709 6.053 261 2HD LYS 30 HD1 LYS 30 72.536 6.285 6.337 262 1HE LYS 30 HE2 LYS 30 74.267 5.417 7.918 263 2HE LYS 30 HE1 LYS 30 75.180 6.923 7.694 264 1HZ LYS 30 HZ1 LYS 30 72.767 7.909 8.126 265 2HZ LYS 30 HZ3 LYS 30 72.629 6.486 9.039 266 3HZ LYS 30 HZ2 LYS 30 73.861 7.602 9.390 267 H TYR 31 HN TYR 31 73.006 7.661 1.114 268 HA TYR 31 HA TYR 31 75.067 6.382 -0.660 269 1HB TYR 31 HB2 TYR 31 72.093 6.489 -1.179 270 2HB TYR 31 HB1 TYR 31 73.283 5.366 -1.846 271 HD1 TYR 31 HD1 TYR 31 74.793 4.519 0.510 272 HD2 TYR 31 HD2 TYR 31 70.575 5.195 0.059 273 HE1 TYR 31 HE1 TYR 31 74.341 2.930 2.360 274 HE2 TYR 31 HE2 TYR 31 70.122 3.607 1.910 275 HH TYR 31 HH TYR 31 71.778 2.792 4.079 276 H HIS 32 HN HIS 32 73.027 9.139 -0.091 277 HA HIS 32 HA HIS 32 72.462 10.449 -2.367 278 1HB HIS 32 HB2 HIS 32 73.387 11.120 0.262 279 2HB HIS 32 HB1 HIS 32 74.094 12.257 -0.890 280 HD1 HIS 32 HD1 HIS 32 70.660 10.739 -0.170 281 HD2 HIS 32 HD2 HIS 32 72.348 14.292 -1.555 282 HE1 HIS 32 HE1 HIS 32 68.741 12.355 -0.517 283 HA PRO 33 HA PRO 33 75.794 10.736 -5.190 284 1HB PRO 33 HB2 PRO 33 75.371 13.299 -6.126 285 2HB PRO 33 HB1 PRO 33 74.379 11.900 -6.589 286 1HG PRO 33 HG2 PRO 33 73.875 13.936 -4.453 287 2HG PRO 33 HG1 PRO 33 72.776 13.337 -5.715 288 1HD PRO 33 HD2 PRO 33 72.597 12.349 -3.276 289 2HD PRO 33 HD1 PRO 33 72.520 11.250 -4.676 290 H ASP 34 HN ASP 34 77.159 13.255 -5.781 291 HA ASP 34 HA ASP 34 78.943 14.573 -4.925 292 1HB ASP 34 HB2 ASP 34 77.033 14.899 -3.124 293 2HB ASP 34 HB1 ASP 34 78.024 13.813 -2.150 294 H ARG 35 HN ARG 35 78.420 12.027 -2.483 295 HA ARG 35 HA ARG 35 81.201 11.108 -2.660 296 1HB ARG 35 HB2 ARG 35 80.511 9.817 -0.762 297 2HB ARG 35 HB1 ARG 35 79.636 11.337 -0.606 298 1HG ARG 35 HG2 ARG 35 77.668 10.284 -1.721 299 2HG ARG 35 HG1 ARG 35 78.545 8.753 -1.780 300 1HD ARG 35 HD2 ARG 35 78.090 10.232 0.828 301 2HD ARG 35 HD1 ARG 35 76.946 9.026 0.207 302 HE ARG 35 HE ARG 35 79.730 8.118 0.199 303 1HH1 ARG 35 HH21 ARG 35 77.326 8.872 2.478 304 2HH1 ARG 35 HH22 ARG 35 77.420 7.357 3.312 305 1HH2 ARG 35 HH11 ARG 35 79.631 5.947 1.045 306 2HH2 ARG 35 HH12 ARG 35 78.724 5.701 2.500 307 H ASN 36 HN ASN 36 78.004 10.343 -3.778 308 HA ASN 36 HA ASN 36 78.759 7.685 -4.863 309 1HB ASN 36 HB2 ASN 36 76.319 9.256 -4.155 310 2HB ASN 36 HB1 ASN 36 76.167 8.139 -5.509 311 1HD2 ASN 36 HD22 ASN 36 75.636 5.505 -3.251 312 2HD2 ASN 36 HD21 ASN 36 75.100 6.352 -4.620 313 H GLN 37 HN GLN 37 78.069 10.967 -5.852 314 HA GLN 37 HA GLN 37 78.389 11.993 -7.947 315 1HB GLN 37 HB2 GLN 37 79.041 9.280 -9.079 316 2HB GLN 37 HB1 GLN 37 79.665 10.849 -9.580 317 1HG GLN 37 HG2 GLN 37 80.366 10.627 -6.872 318 2HG GLN 37 HG1 GLN 37 80.697 9.038 -7.563 319 1HE2 GLN 37 HE22 GLN 37 82.947 12.251 -8.705 320 2HE2 GLN 37 HE21 GLN 37 81.571 12.470 -7.733 321 H GLY 38 HN GLY 38 76.030 12.169 -7.669 322 1HA GLY 38 HA2 GLY 38 73.904 12.087 -8.663 323 2HA GLY 38 HA1 GLY 38 74.639 11.220 -10.017 324 H ASP 39 HN ASP 39 75.540 8.942 -9.116 325 HA ASP 39 HA ASP 39 73.646 7.684 -7.223 326 1HB ASP 39 HB2 ASP 39 73.763 7.072 -10.186 327 2HB ASP 39 HB1 ASP 39 72.982 6.015 -9.011 328 H LYS 40 HN LYS 40 75.173 5.848 -9.745 329 HA LYS 40 HA LYS 40 76.913 4.292 -9.699 330 1HB LYS 40 HB2 LYS 40 77.872 6.206 -7.616 331 2HB LYS 40 HB1 LYS 40 78.894 5.058 -8.462 332 1HG LYS 40 HG2 LYS 40 77.332 7.339 -9.716 333 2HG LYS 40 HG1 LYS 40 79.079 7.291 -9.482 334 1HD LYS 40 HD2 LYS 40 79.273 5.384 -10.986 335 2HD LYS 40 HD1 LYS 40 77.517 5.296 -11.151 336 1HE LYS 40 HE2 LYS 40 77.447 7.045 -12.626 337 2HE LYS 40 HE1 LYS 40 78.712 7.945 -11.765 338 1HZ LYS 40 HZ2 LYS 40 80.157 5.923 -12.547 339 2HZ LYS 40 HZ1 LYS 40 78.982 5.820 -13.771 340 3HZ LYS 40 HZ3 LYS 40 79.886 7.244 -13.582 341 H GLU 41 HN GLU 41 76.824 5.284 -6.278 342 HA GLU 41 HA GLU 41 76.626 2.426 -5.497 343 1HB GLU 41 HB2 GLU 41 77.514 4.997 -4.345 344 2HB GLU 41 HB1 GLU 41 76.674 3.949 -3.202 345 1HG GLU 41 HG2 GLU 41 78.548 2.728 -2.989 346 2HG GLU 41 HG1 GLU 41 78.425 2.289 -4.693 347 H ALA 42 HN ALA 42 74.634 5.150 -6.005 348 HA ALA 42 HA ALA 42 72.525 4.319 -4.116 349 1HB ALA 42 HB1 ALA 42 73.363 6.696 -5.235 350 2HB ALA 42 HB3 ALA 42 71.962 6.303 -6.231 351 3HB ALA 42 HB2 ALA 42 71.785 6.452 -4.483 352 H GLU 43 HN GLU 43 73.466 3.885 -7.453 353 HA GLU 43 HA GLU 43 71.022 3.318 -8.727 354 1HB GLU 43 HB2 GLU 43 73.392 3.392 -9.646 355 2HB GLU 43 HB1 GLU 43 73.613 1.766 -8.999 356 1HG GLU 43 HG2 GLU 43 71.818 0.906 -10.383 357 2HG GLU 43 HG1 GLU 43 71.403 2.532 -10.926 358 H ALA 44 HN ALA 44 73.133 0.996 -6.980 359 HA ALA 44 HA ALA 44 71.063 -1.089 -7.049 360 1HB ALA 44 HB3 ALA 44 73.685 -1.232 -7.020 361 2HB ALA 44 HB2 ALA 44 73.507 -1.028 -5.278 362 3HB ALA 44 HB1 ALA 44 72.766 -2.410 -6.083 363 H LYS 45 HN LYS 45 72.500 1.056 -4.548 364 HA LYS 45 HA LYS 45 71.067 0.129 -2.325 365 1HB LYS 45 HB2 LYS 45 72.601 2.403 -3.079 366 2HB LYS 45 HB1 LYS 45 71.133 2.995 -2.290 367 1HG LYS 45 HG2 LYS 45 72.020 2.428 -0.305 368 2HG LYS 45 HG1 LYS 45 71.984 0.739 -0.813 369 1HD LYS 45 HD2 LYS 45 74.178 2.039 -2.116 370 2HD LYS 45 HD1 LYS 45 74.269 2.375 -0.386 371 1HE LYS 45 HE2 LYS 45 73.781 -0.191 -0.116 372 2HE LYS 45 HE1 LYS 45 74.353 -0.286 -1.794 373 1HZ LYS 45 HZ3 LYS 45 75.800 1.075 0.418 374 2HZ LYS 45 HZ2 LYS 45 76.181 -0.471 -0.177 375 3HZ LYS 45 HZ1 LYS 45 76.347 0.892 -1.179 376 H PHE 46 HN PHE 46 69.894 2.009 -5.084 377 HA PHE 46 HA PHE 46 67.424 2.918 -3.957 378 1HB PHE 46 HB2 PHE 46 68.252 1.982 -6.731 379 2HB PHE 46 HB1 PHE 46 66.686 2.722 -6.405 380 HD1 PHE 46 HD2 PHE 46 68.264 4.476 -4.095 381 HD2 PHE 46 HD1 PHE 46 68.565 3.923 -8.348 382 HE1 PHE 46 HE2 PHE 46 69.280 6.721 -4.316 383 HE2 PHE 46 HE1 PHE 46 69.582 6.174 -8.564 384 HZ PHE 46 HZ PHE 46 69.939 7.572 -6.547 385 H LYS 47 HN LYS 47 68.572 -0.214 -4.961 386 HA LYS 47 HA LYS 47 66.003 -1.502 -4.954 387 1HB LYS 47 HB2 LYS 47 67.288 -3.383 -5.579 388 2HB LYS 47 HB1 LYS 47 68.329 -2.069 -6.112 389 1HG LYS 47 HG2 LYS 47 69.961 -2.788 -4.762 390 2HG LYS 47 HG1 LYS 47 68.909 -2.679 -3.353 391 1HD LYS 47 HD2 LYS 47 68.627 -4.944 -5.299 392 2HD LYS 47 HD1 LYS 47 69.846 -5.006 -4.024 393 1HE LYS 47 HE2 LYS 47 67.755 -4.261 -2.519 394 2HE LYS 47 HE1 LYS 47 66.873 -5.111 -3.804 395 1HZ LYS 47 HZ1 LYS 47 68.880 -6.783 -3.472 396 2HZ LYS 47 HZ3 LYS 47 68.831 -6.152 -1.899 397 3HZ LYS 47 HZ2 LYS 47 67.454 -6.901 -2.556 398 H GLU 48 HN GLU 48 68.038 -0.249 -2.595 399 HA GLU 48 HA GLU 48 67.283 -2.211 -0.557 400 1HB GLU 48 HB2 GLU 48 68.952 0.320 -0.465 401 2HB GLU 48 HB1 GLU 48 68.789 -0.821 0.869 402 1HG GLU 48 HG2 GLU 48 69.651 -1.868 -1.800 403 2HG GLU 48 HG1 GLU 48 70.831 -0.998 -0.819 404 H ILE 49 HN ILE 49 66.711 1.158 -1.462 405 HA ILE 49 HA ILE 49 64.568 1.267 0.620 406 HB ILE 49 HB ILE 49 66.041 3.410 -0.934 407 1HG1 ILE 49 HG12 ILE 49 66.636 3.838 1.667 408 2HG1 ILE 49 HG11 ILE 49 66.453 2.080 1.685 409 1HG2 ILE 49 HG21 ILE 49 63.714 3.435 0.922 410 2HG2 ILE 49 HG23 ILE 49 64.890 4.738 1.072 411 3HG2 ILE 49 HG22 ILE 49 64.061 4.471 -0.461 412 1HD1 ILE 49 HD13 ILE 49 67.857 2.443 -0.623 413 2HD1 ILE 49 HD12 ILE 49 68.507 3.739 0.381 414 3HD1 ILE 49 HD11 ILE 49 68.592 2.065 0.934 415 H LYS 50 HN LYS 50 65.323 2.073 -2.783 416 HA LYS 50 HA LYS 50 62.608 2.852 -3.324 417 1HB LYS 50 HB2 LYS 50 65.095 2.989 -4.554 418 2HB LYS 50 HB1 LYS 50 64.219 1.852 -5.579 419 1HG LYS 50 HG2 LYS 50 62.356 3.478 -5.766 420 2HG LYS 50 HG1 LYS 50 63.276 4.623 -4.786 421 1HD LYS 50 HD2 LYS 50 63.974 5.354 -6.844 422 2HD LYS 50 HD1 LYS 50 65.140 4.044 -6.650 423 1HE LYS 50 HE2 LYS 50 64.299 3.399 -8.698 424 2HE LYS 50 HE1 LYS 50 63.031 2.665 -7.696 425 1HZ LYS 50 HZ1 LYS 50 61.849 4.814 -7.776 426 2HZ LYS 50 HZ3 LYS 50 63.005 5.393 -8.873 427 3HZ LYS 50 HZ2 LYS 50 62.000 4.093 -9.308 428 H GLU 51 HN GLU 51 64.306 -0.224 -3.215 429 HA GLU 51 HA GLU 51 62.132 -1.571 -4.727 430 1HB GLU 51 HB2 GLU 51 64.153 -2.539 -5.247 431 2HB GLU 51 HB1 GLU 51 64.852 -2.034 -3.730 432 1HG GLU 51 HG2 GLU 51 64.599 -4.535 -4.004 433 2HG GLU 51 HG1 GLU 51 63.882 -3.862 -2.540 434 H ALA 52 HN ALA 52 63.344 -1.138 -1.448 435 HA ALA 52 HA ALA 52 61.347 -2.966 -0.264 436 1HB ALA 52 HB3 ALA 52 63.902 -2.092 0.353 437 2HB ALA 52 HB2 ALA 52 62.900 -1.158 1.463 438 3HB ALA 52 HB1 ALA 52 62.822 -2.920 1.474 439 H TYR 53 HN TYR 53 62.155 0.507 -0.178 440 HA TYR 53 HA TYR 53 59.771 1.243 1.312 441 1HB TYR 53 HB2 TYR 53 61.099 3.014 1.673 442 2HB TYR 53 HB1 TYR 53 62.300 2.270 0.649 443 HD1 TYR 53 HD1 TYR 53 61.195 2.565 -2.065 444 HD2 TYR 53 HD2 TYR 53 61.078 5.266 1.268 445 HE1 TYR 53 HE1 TYR 53 61.089 4.481 -3.621 446 HE2 TYR 53 HE2 TYR 53 60.953 7.183 -0.289 447 HH TYR 53 HH TYR 53 60.951 6.680 -3.825 448 H GLU 54 HN GLU 54 60.020 0.202 -1.799 449 HA GLU 54 HA GLU 54 58.353 2.190 -3.148 450 1HB GLU 54 HB2 GLU 54 59.564 1.008 -4.706 451 2HB GLU 54 HB1 GLU 54 59.666 -0.422 -3.683 452 1HG GLU 54 HG2 GLU 54 57.740 -1.333 -4.537 453 2HG GLU 54 HG1 GLU 54 56.972 0.239 -4.763 454 H VAL 55 HN VAL 55 57.866 -0.581 -1.117 455 HA VAL 55 HA VAL 55 54.935 -0.525 -1.687 456 HB VAL 55 HB VAL 55 55.128 -2.782 -1.849 457 1HG1 VAL 55 HG12 VAL 55 57.394 -2.244 -2.679 458 2HG1 VAL 55 HG11 VAL 55 58.010 -2.510 -1.047 459 3HG1 VAL 55 HG13 VAL 55 57.272 -3.837 -1.938 460 1HG2 VAL 55 HG22 VAL 55 56.401 -2.650 0.887 461 2HG2 VAL 55 HG21 VAL 55 54.710 -2.981 0.523 462 3HG2 VAL 55 HG23 VAL 55 55.950 -4.149 0.074 463 H LEU 56 HN LEU 56 56.743 1.092 0.201 464 HA LEU 56 HA LEU 56 55.583 0.347 2.832 465 1HB LEU 56 HB2 LEU 56 57.942 1.642 1.755 466 2HB LEU 56 HB1 LEU 56 57.192 2.655 2.990 467 HG LEU 56 HG LEU 56 58.866 1.035 3.918 468 1HD1 LEU 56 HD13 LEU 56 56.229 1.607 4.814 469 2HD1 LEU 56 HD12 LEU 56 56.553 -0.082 5.204 470 3HD1 LEU 56 HD11 LEU 56 57.633 1.183 5.793 471 1HD2 LEU 56 HD22 LEU 56 57.226 -0.786 2.329 472 2HD2 LEU 56 HD21 LEU 56 58.836 -1.034 3.008 473 3HD2 LEU 56 HD23 LEU 56 57.406 -1.339 3.995 474 H THR 57 HN THR 57 54.484 2.045 0.245 475 HA THR 57 HA THR 57 52.962 3.940 1.989 476 HB THR 57 HB THR 57 54.060 5.711 1.099 477 HG1 THR 57 HG1 THR 57 53.040 6.204 -0.645 478 1HG2 THR 57 HG23 THR 57 55.964 4.044 0.871 479 2HG2 THR 57 HG22 THR 57 55.496 3.854 -0.818 480 3HG2 THR 57 HG21 THR 57 56.046 5.422 -0.226 481 H ASP 58 HN ASP 58 52.785 1.491 -0.231 482 HA ASP 58 HA ASP 58 50.415 2.617 -1.658 483 1HB ASP 58 HB2 ASP 58 52.184 1.659 -3.027 484 2HB ASP 58 HB1 ASP 58 52.166 0.167 -2.072 485 H SER 59 HN SER 59 48.362 1.677 -1.395 486 HA SER 59 HA SER 59 47.557 0.402 0.940 487 1HB SER 59 HB2 SER 59 46.232 -0.585 -1.503 488 2HB SER 59 HB1 SER 59 45.556 0.339 -0.165 489 HG SER 59 HG SER 59 45.581 1.847 -1.665 490 H GLN 60 HN GLN 60 48.090 -1.319 -2.146 491 HA GLN 60 HA GLN 60 48.375 -3.909 -0.836 492 1HB GLN 60 HB2 GLN 60 48.793 -4.622 -3.131 493 2HB GLN 60 HB1 GLN 60 47.529 -3.388 -3.192 494 1HG GLN 60 HG2 GLN 60 49.825 -1.879 -3.263 495 2HG GLN 60 HG1 GLN 60 50.284 -3.293 -4.209 496 1HE2 GLN 60 HE22 GLN 60 47.580 -0.645 -5.712 497 2HE2 GLN 60 HE21 GLN 60 48.208 -0.457 -4.147 498 H LYS 61 HN LYS 61 50.761 -4.348 -2.789 499 HA LYS 61 HA LYS 61 53.099 -4.355 -2.645 500 1HB LYS 61 HB2 LYS 61 52.027 -1.692 -2.108 501 2HB LYS 61 HB1 LYS 61 53.613 -1.917 -1.374 502 1HG LYS 61 HG2 LYS 61 54.485 -2.742 -3.558 503 2HG LYS 61 HG1 LYS 61 52.902 -2.466 -4.275 504 1HD LYS 61 HD2 LYS 61 53.702 -0.061 -2.942 505 2HD LYS 61 HD1 LYS 61 55.031 -0.595 -3.967 506 1HE LYS 61 HE2 LYS 61 52.657 -1.004 -5.467 507 2HE LYS 61 HE1 LYS 61 52.555 0.624 -4.767 508 1HZ LYS 61 HZ2 LYS 61 55.138 -0.262 -5.817 509 2HZ LYS 61 HZ1 LYS 61 53.944 0.177 -6.942 510 3HZ LYS 61 HZ3 LYS 61 54.465 1.297 -5.781 511 H ARG 62 HN ARG 62 52.079 -2.679 0.355 512 HA ARG 62 HA ARG 62 53.969 -3.751 2.122 513 1HB ARG 62 HB2 ARG 62 51.010 -3.174 2.514 514 2HB ARG 62 HB1 ARG 62 52.191 -3.291 3.817 515 1HG ARG 62 HG2 ARG 62 53.248 -1.300 3.217 516 2HG ARG 62 HG1 ARG 62 52.678 -1.386 1.549 517 1HD ARG 62 HD2 ARG 62 50.459 -0.740 2.166 518 2HD ARG 62 HD1 ARG 62 50.793 -0.990 3.890 519 HE ARG 62 HE ARG 62 52.370 1.037 2.369 520 1HH1 ARG 62 HH21 ARG 62 53.213 1.525 4.859 521 2HH1 ARG 62 HH22 ARG 62 51.988 2.419 5.695 522 1HH2 ARG 62 HH11 ARG 62 49.475 1.583 3.460 523 2HH2 ARG 62 HH12 ARG 62 49.873 2.454 4.903 524 H ALA 63 HN ALA 63 50.963 -5.148 0.902 525 HA ALA 63 HA ALA 63 51.399 -7.647 2.461 526 1HB ALA 63 HB1 ALA 63 49.165 -6.319 0.942 527 2HB ALA 63 HB3 ALA 63 49.079 -8.051 1.263 528 3HB ALA 63 HB2 ALA 63 49.175 -6.910 2.604 529 H ALA 64 HN ALA 64 51.776 -6.303 -0.705 530 HA ALA 64 HA ALA 64 51.774 -8.914 -2.079 531 1HB ALA 64 HB3 ALA 64 50.874 -6.820 -3.089 532 2HB ALA 64 HB2 ALA 64 52.480 -6.101 -2.984 533 3HB ALA 64 HB1 ALA 64 52.200 -7.479 -4.047 534 H TYR 65 HN TYR 65 54.046 -6.767 -0.577 535 HA TYR 65 HA TYR 65 56.319 -8.207 -1.887 536 1HB TYR 65 HB2 TYR 65 55.703 -5.518 -1.241 537 2HB TYR 65 HB1 TYR 65 57.052 -5.989 -0.219 538 HD1 TYR 65 HD2 TYR 65 59.113 -7.014 -1.260 539 HD2 TYR 65 HD1 TYR 65 56.005 -5.185 -3.595 540 HE1 TYR 65 HE2 TYR 65 60.661 -6.848 -3.191 541 HE2 TYR 65 HE1 TYR 65 57.552 -5.019 -5.526 542 HH TYR 65 HH TYR 65 60.943 -6.086 -5.257 543 H ASP 66 HN ASP 66 54.519 -8.038 0.999 544 HA ASP 66 HA ASP 66 56.770 -8.718 2.740 545 1HB ASP 66 HB2 ASP 66 55.075 -8.666 4.480 546 2HB ASP 66 HB1 ASP 66 54.795 -7.306 3.395 547 H GLN 67 HN GLN 67 54.252 -10.396 0.928 548 HA GLN 67 HA GLN 67 55.116 -12.962 2.243 549 1HB GLN 67 HB2 GLN 67 52.830 -13.710 1.265 550 2HB GLN 67 HB1 GLN 67 52.814 -12.628 2.657 551 1HG GLN 67 HG2 GLN 67 51.981 -10.880 1.455 552 2HG GLN 67 HG1 GLN 67 52.912 -11.293 0.016 553 1HE2 GLN 67 HE22 GLN 67 50.422 -13.814 -0.989 554 2HE2 GLN 67 HE21 GLN 67 52.105 -13.724 -0.783 555 H TYR 68 HN TYR 68 54.960 -11.213 -0.748 556 HA TYR 68 HA TYR 68 55.438 -13.680 -2.348 557 1HB TYR 68 HB2 TYR 68 54.199 -11.116 -2.706 558 2HB TYR 68 HB1 TYR 68 55.499 -11.284 -3.893 559 HD1 TYR 68 HD1 TYR 68 55.609 -13.971 -4.711 560 HD2 TYR 68 HD2 TYR 68 52.131 -11.727 -3.559 561 HE1 TYR 68 HE1 TYR 68 54.179 -15.496 -6.048 562 HE2 TYR 68 HE2 TYR 68 50.704 -13.252 -4.895 563 HH TYR 68 HH TYR 68 51.059 -14.788 -6.929 564 H GLY 69 HN GLY 69 57.589 -13.446 -0.799 565 1HA GLY 69 HA2 GLY 69 59.615 -11.595 -1.629 566 2HA GLY 69 HA1 GLY 69 59.913 -13.113 -0.782 567 H HIS 70 HN HIS 70 58.827 -14.906 -2.678 568 HA HIS 70 HA HIS 70 60.049 -14.400 -5.297 569 1HB HIS 70 HB2 HIS 70 62.014 -14.882 -3.982 570 2HB HIS 70 HB1 HIS 70 61.242 -16.297 -3.262 571 HD1 HIS 70 HD1 HIS 70 62.431 -15.033 -6.648 572 HD2 HIS 70 HD2 HIS 70 61.568 -18.637 -4.736 573 HE1 HIS 70 HE1 HIS 70 63.140 -16.875 -8.236 574 H ALA 71 HN ALA 71 58.087 -15.075 -6.201 575 HA ALA 71 HA ALA 71 56.356 -16.582 -6.820 576 1HB ALA 71 HB2 ALA 71 58.993 -18.009 -6.729 577 2HB ALA 71 HB1 ALA 71 57.543 -18.944 -7.101 578 3HB ALA 71 HB3 ALA 71 58.005 -17.585 -8.127 579 H ALA 72 HN ALA 72 56.915 -16.196 -3.840 580 HA ALA 72 HA ALA 72 56.808 -18.428 -2.234 581 1HB ALA 72 HB2 ALA 72 55.351 -15.798 -2.243 582 2HB ALA 72 HB1 ALA 72 55.021 -16.968 -0.966 583 3HB ALA 72 HB3 ALA 72 56.654 -16.338 -1.186 584 H PHE 73 HN PHE 73 53.863 -16.951 -3.669 585 HA PHE 73 HA PHE 73 52.347 -19.431 -3.130 586 1HB PHE 73 HB2 PHE 73 51.869 -16.594 -3.593 587 2HB PHE 73 HB1 PHE 73 50.778 -17.598 -4.550 588 HD1 PHE 73 HD1 PHE 73 52.178 -17.335 -1.077 589 HD2 PHE 73 HD2 PHE 73 48.854 -18.455 -3.555 590 HE1 PHE 73 HE1 PHE 73 50.829 -17.812 0.949 591 HE2 PHE 73 HE2 PHE 73 47.504 -18.932 -1.530 592 HZ PHE 73 HZ PHE 73 48.492 -18.610 0.722 593 H GLU 74 HN GLU 74 53.335 -20.890 -4.664 594 HA GLU 74 HA GLU 74 52.672 -20.268 -7.525 595 1HB GLU 74 HB2 GLU 74 54.738 -21.393 -8.120 596 2HB GLU 74 HB1 GLU 74 55.113 -20.207 -6.870 597 1HG GLU 74 HG2 GLU 74 55.974 -21.854 -5.605 598 2HG GLU 74 HG1 GLU 74 54.370 -22.584 -5.518 599 H GLN 75 HN GLN 75 50.874 -21.602 -5.754 600 HA GLN 75 HA GLN 75 51.108 -24.472 -5.861 601 1HB GLN 75 HB2 GLN 75 49.429 -22.476 -4.777 602 2HB GLN 75 HB1 GLN 75 48.388 -23.475 -5.791 603 1HG GLN 75 HG2 GLN 75 48.306 -24.803 -3.934 604 2HG GLN 75 HG1 GLN 75 49.845 -25.405 -4.552 605 1HE2 GLN 75 HE22 GLN 75 50.163 -22.502 -1.651 606 2HE2 GLN 75 HE21 GLN 75 49.032 -22.305 -2.900 607 H GLY 76 HN GLY 76 51.741 -24.606 -8.232 608 1HA GLY 76 HA2 GLY 76 50.966 -25.585 -10.269 609 2HA GLY 76 HA1 GLY 76 49.323 -25.102 -9.846 610 H GLY 77 HN GLY 77 52.390 -23.943 -11.157 611 1HA GLY 77 HA2 GLY 77 51.832 -22.459 -13.234 612 2HA GLY 77 HA1 GLY 77 51.028 -21.442 -12.039 No H/Q in entry = 612 Start of MODEL 6 1 1H ALA 1 HT2 ALA 1 66.975 -15.397 5.983 2 2H ALA 1 HT1 ALA 1 67.585 -15.670 4.421 3 3H ALA 1 HT3 ALA 1 68.653 -15.477 5.724 4 HA ALA 1 HA ALA 1 68.765 -13.389 4.779 5 1HB ALA 1 HB1 ALA 1 66.827 -14.310 3.248 6 2HB ALA 1 HB3 ALA 1 65.793 -13.369 4.324 7 3HB ALA 1 HB2 ALA 1 67.061 -12.568 3.397 8 H LYS 2 HN LYS 2 68.957 -11.804 6.314 9 HA LYS 2 HA LYS 2 66.983 -11.753 8.556 10 1HB LYS 2 HB2 LYS 2 69.868 -11.077 8.138 11 2HB LYS 2 HB1 LYS 2 68.992 -10.187 9.385 12 1HG LYS 2 HG2 LYS 2 68.192 -12.806 9.814 13 2HG LYS 2 HG1 LYS 2 69.893 -12.975 9.375 14 1HD LYS 2 HD2 LYS 2 69.193 -10.802 11.294 15 2HD LYS 2 HD1 LYS 2 69.127 -12.460 11.893 16 1HE LYS 2 HE2 LYS 2 71.454 -12.832 11.103 17 2HE LYS 2 HE1 LYS 2 71.522 -11.146 10.557 18 1HZ LYS 2 HZ2 LYS 2 70.492 -11.081 13.124 19 2HZ LYS 2 HZ1 LYS 2 71.795 -12.168 13.193 20 3HZ LYS 2 HZ3 LYS 2 72.042 -10.586 12.634 21 H GLN 3 HN GLN 3 66.637 -9.421 9.435 22 HA GLN 3 HA GLN 3 65.664 -7.302 9.028 23 1HB GLN 3 HB2 GLN 3 67.825 -7.264 6.897 24 2HB GLN 3 HB1 GLN 3 67.122 -5.867 7.712 25 1HG GLN 3 HG2 GLN 3 68.154 -6.403 9.772 26 2HG GLN 3 HG1 GLN 3 68.504 -8.057 9.261 27 1HE2 GLN 3 HE22 GLN 3 71.331 -7.071 7.237 28 2HE2 GLN 3 HE21 GLN 3 70.067 -8.202 7.297 29 H ASP 4 HN ASP 4 63.644 -7.627 8.182 30 HA ASP 4 HA ASP 4 62.967 -8.759 5.675 31 1HB ASP 4 HB2 ASP 4 61.480 -8.411 7.605 32 2HB ASP 4 HB1 ASP 4 61.592 -6.665 7.388 33 H TYR 5 HN TYR 5 61.792 -5.503 5.956 34 HA TYR 5 HA TYR 5 63.698 -4.196 4.250 35 1HB TYR 5 HB2 TYR 5 62.858 -4.571 2.146 36 2HB TYR 5 HB1 TYR 5 62.413 -6.090 2.922 37 HD1 TYR 5 HD1 TYR 5 61.132 -2.656 2.243 38 HD2 TYR 5 HD2 TYR 5 60.176 -6.768 2.992 39 HE1 TYR 5 HE1 TYR 5 58.755 -2.172 1.805 40 HE2 TYR 5 HE2 TYR 5 57.793 -6.293 2.555 41 HH TYR 5 HH TYR 5 56.635 -2.993 2.034 42 H TYR 6 HN TYR 6 60.448 -4.318 5.620 43 HA TYR 6 HA TYR 6 59.718 -1.610 4.955 44 1HB TYR 6 HB2 TYR 6 57.823 -2.229 6.061 45 2HB TYR 6 HB1 TYR 6 58.551 -3.828 6.144 46 HD1 TYR 6 HD1 TYR 6 58.818 -0.532 7.961 47 HD2 TYR 6 HD2 TYR 6 58.611 -4.812 8.242 48 HE1 TYR 6 HE1 TYR 6 58.879 -0.380 10.424 49 HE2 TYR 6 HE2 TYR 6 58.663 -4.648 10.712 50 HH TYR 6 HH TYR 6 59.614 -2.835 12.415 51 H GLU 7 HN GLU 7 61.382 -3.200 7.608 52 HA GLU 7 HA GLU 7 61.867 -0.768 9.100 53 1HB GLU 7 HB2 GLU 7 62.303 -3.639 9.273 54 2HB GLU 7 HB1 GLU 7 63.721 -2.746 9.823 55 1HG GLU 7 HG2 GLU 7 61.423 -1.432 10.877 56 2HG GLU 7 HG1 GLU 7 61.245 -3.156 11.201 57 H ILE 8 HN ILE 8 63.532 -2.608 6.587 58 HA ILE 8 HA ILE 8 66.166 -1.750 6.786 59 HB ILE 8 HB ILE 8 64.244 -2.253 4.541 60 1HG1 ILE 8 HG12 ILE 8 65.704 -4.133 4.129 61 2HG1 ILE 8 HG11 ILE 8 66.927 -3.483 5.220 62 1HG2 ILE 8 HG22 ILE 8 66.867 -0.852 4.322 63 2HG2 ILE 8 HG21 ILE 8 66.490 -2.082 3.114 64 3HG2 ILE 8 HG23 ILE 8 65.421 -0.694 3.323 65 1HD1 ILE 8 HD12 ILE 8 64.131 -4.294 6.069 66 2HD1 ILE 8 HD11 ILE 8 65.565 -5.299 6.268 67 3HD1 ILE 8 HD13 ILE 8 65.436 -3.764 7.128 68 H LEU 9 HN LEU 9 63.322 0.176 5.927 69 HA LEU 9 HA LEU 9 65.073 2.531 5.351 70 1HB LEU 9 HB2 LEU 9 62.069 2.143 5.142 71 2HB LEU 9 HB1 LEU 9 62.986 3.501 4.497 72 HG LEU 9 HG LEU 9 62.710 2.120 2.620 73 1HD1 LEU 9 HD13 LEU 9 65.329 1.332 3.929 74 2HD1 LEU 9 HD12 LEU 9 64.928 1.000 2.245 75 3HD1 LEU 9 HD11 LEU 9 65.060 2.667 2.807 76 1HD2 LEU 9 HD21 LEU 9 61.959 0.200 4.293 77 2HD2 LEU 9 HD23 LEU 9 62.488 -0.182 2.655 78 3HD2 LEU 9 HD22 LEU 9 63.603 -0.374 4.007 79 H GLY 10 HN GLY 10 64.576 1.367 8.134 80 1HA GLY 10 HA2 GLY 10 63.931 2.136 10.273 81 2HA GLY 10 HA1 GLY 10 64.473 3.702 9.660 82 H VAL 11 HN VAL 11 61.669 1.507 9.551 83 HA VAL 11 HA VAL 11 59.868 3.883 9.737 84 HB VAL 11 HB VAL 11 59.436 1.646 7.744 85 1HG1 VAL 11 HG12 VAL 11 58.105 4.107 8.479 86 2HG1 VAL 11 HG11 VAL 11 58.558 4.127 6.775 87 3HG1 VAL 11 HG13 VAL 11 57.555 2.821 7.405 88 1HG2 VAL 11 HG22 VAL 11 61.205 4.069 7.515 89 2HG2 VAL 11 HG21 VAL 11 61.514 2.417 6.978 90 3HG2 VAL 11 HG23 VAL 11 60.383 3.438 6.089 91 H SER 12 HN SER 12 57.522 2.246 9.232 92 HA SER 12 HA SER 12 57.561 0.324 11.519 93 1HB SER 12 HB2 SER 12 55.026 1.279 11.499 94 2HB SER 12 HB1 SER 12 56.314 2.024 12.441 95 HG SER 12 HG SER 12 56.593 3.529 10.858 96 H LYS 13 HN LYS 13 57.155 0.751 8.234 97 HA LYS 13 HA LYS 13 56.449 -0.769 6.579 98 1HB LYS 13 HB2 LYS 13 56.414 -2.907 7.283 99 2HB LYS 13 HB1 LYS 13 56.654 -2.276 8.907 100 1HG LYS 13 HG2 LYS 13 54.102 -2.050 9.047 101 2HG LYS 13 HG1 LYS 13 54.043 -3.035 7.584 102 1HD LYS 13 HD2 LYS 13 55.529 -4.707 8.846 103 2HD LYS 13 HD1 LYS 13 55.125 -3.795 10.301 104 1HE LYS 13 HE2 LYS 13 53.161 -4.909 10.440 105 2HE LYS 13 HE1 LYS 13 52.698 -4.284 8.845 106 1HZ LYS 13 HZ3 LYS 13 54.714 -6.395 8.934 107 2HZ LYS 13 HZ2 LYS 13 53.110 -6.851 9.259 108 3HZ LYS 13 HZ1 LYS 13 53.503 -6.106 7.783 109 H THR 14 HN THR 14 54.240 0.217 9.162 110 HA THR 14 HA THR 14 51.890 0.019 7.389 111 HB THR 14 HB THR 14 50.702 0.620 9.398 112 HG1 THR 14 HG1 THR 14 51.903 1.397 11.212 113 1HG2 THR 14 HG21 THR 14 51.776 -1.641 9.387 114 2HG2 THR 14 HG23 THR 14 53.139 -0.955 10.273 115 3HG2 THR 14 HG22 THR 14 51.537 -0.995 11.011 116 H ALA 15 HN ALA 15 54.380 2.229 8.265 117 HA ALA 15 HA ALA 15 53.224 4.771 8.064 118 1HB ALA 15 HB1 ALA 15 55.803 3.483 7.821 119 2HB ALA 15 HB3 ALA 15 55.658 4.748 6.601 120 3HB ALA 15 HB2 ALA 15 55.451 5.141 8.308 121 H GLU 16 HN GLU 16 54.011 6.117 5.943 122 HA GLU 16 HA GLU 16 53.238 4.688 3.464 123 1HB GLU 16 HB2 GLU 16 51.800 7.004 4.790 124 2HB GLU 16 HB1 GLU 16 51.622 6.668 3.064 125 1HG GLU 16 HG2 GLU 16 50.617 4.567 3.457 126 2HG GLU 16 HG1 GLU 16 51.188 4.509 5.125 127 H GLU 17 HN GLU 17 52.931 7.996 3.149 128 HA GLU 17 HA GLU 17 55.625 8.235 1.952 129 1HB GLU 17 HB2 GLU 17 53.254 10.135 2.012 130 2HB GLU 17 HB1 GLU 17 54.659 10.253 0.951 131 1HG GLU 17 HG2 GLU 17 54.008 7.857 0.183 132 2HG GLU 17 HG1 GLU 17 52.442 8.213 0.914 133 H ARG 18 HN ARG 18 54.515 8.556 5.004 134 HA ARG 18 HA ARG 18 55.619 11.214 5.591 135 1HB ARG 18 HB2 ARG 18 54.846 10.677 7.887 136 2HB ARG 18 HB1 ARG 18 53.583 10.412 6.687 137 1HG ARG 18 HG2 ARG 18 53.403 8.414 7.807 138 2HG ARG 18 HG1 ARG 18 54.678 7.954 6.681 139 1HD ARG 18 HD2 ARG 18 55.584 7.299 8.744 140 2HD ARG 18 HD1 ARG 18 56.276 8.921 8.540 141 HE ARG 18 HE ARG 18 54.998 9.564 10.410 142 1HH1 ARG 18 HH11 ARG 18 53.661 6.775 8.897 143 2HH1 ARG 18 HH12 ARG 18 52.229 6.769 9.870 144 1HH2 ARG 18 HH21 ARG 18 53.063 9.659 11.593 145 2HH2 ARG 18 HH22 ARG 18 51.891 8.400 11.396 146 H GLU 19 HN GLU 19 56.523 7.837 6.460 147 HA GLU 19 HA GLU 19 59.059 8.961 7.533 148 1HB GLU 19 HB2 GLU 19 57.372 6.791 8.215 149 2HB GLU 19 HB1 GLU 19 58.889 6.090 7.639 150 1HG GLU 19 HG2 GLU 19 60.017 6.803 9.448 151 2HG GLU 19 HG1 GLU 19 59.359 8.431 9.294 152 H ILE 20 HN ILE 20 57.794 6.862 5.001 153 HA ILE 20 HA ILE 20 60.313 6.016 3.982 154 HB ILE 20 HB ILE 20 57.496 5.988 3.307 155 1HG1 ILE 20 HG12 ILE 20 58.251 3.856 2.211 156 2HG1 ILE 20 HG11 ILE 20 59.909 4.318 2.597 157 1HG2 ILE 20 HG23 ILE 20 59.408 6.740 1.133 158 2HG2 ILE 20 HG22 ILE 20 58.149 5.567 0.766 159 3HG2 ILE 20 HG21 ILE 20 57.715 7.180 1.331 160 1HD1 ILE 20 HD11 ILE 20 58.826 4.682 5.016 161 2HD1 ILE 20 HD13 ILE 20 57.717 3.449 4.419 162 3HD1 ILE 20 HD12 ILE 20 59.449 3.117 4.498 163 H ARG 21 HN ARG 21 58.661 9.068 3.946 164 HA ARG 21 HA ARG 21 60.242 10.099 1.688 165 1HB ARG 21 HB2 ARG 21 58.810 12.028 1.912 166 2HB ARG 21 HB1 ARG 21 57.794 10.617 2.197 167 1HG ARG 21 HG2 ARG 21 57.792 10.953 4.537 168 2HG ARG 21 HG1 ARG 21 59.154 12.070 4.466 169 1HD ARG 21 HD2 ARG 21 56.978 13.010 2.784 170 2HD ARG 21 HD1 ARG 21 56.439 12.780 4.460 171 HE ARG 21 HE ARG 21 59.052 14.091 4.207 172 1HH1 ARG 21 HH11 ARG 21 55.651 14.558 4.037 173 2HH1 ARG 21 HH12 ARG 21 55.690 16.118 4.788 174 1HH2 ARG 21 HH21 ARG 21 59.113 16.060 5.342 175 2HH2 ARG 21 HH22 ARG 21 57.650 16.969 5.529 176 H LYS 22 HN LYS 22 60.420 10.038 5.131 177 HA LYS 22 HA LYS 22 62.556 12.120 5.113 178 1HB LYS 22 HB2 LYS 22 60.653 12.516 6.623 179 2HB LYS 22 HB1 LYS 22 60.842 10.903 7.313 180 1HG LYS 22 HG2 LYS 22 63.317 11.766 7.762 181 2HG LYS 22 HG1 LYS 22 62.524 13.342 7.709 182 1HD LYS 22 HD2 LYS 22 62.575 12.428 10.013 183 2HD LYS 22 HD1 LYS 22 60.922 12.611 9.424 184 1HE LYS 22 HE2 LYS 22 60.556 10.343 9.353 185 2HE LYS 22 HE1 LYS 22 62.228 9.991 8.872 186 1HZ LYS 22 HZ2 LYS 22 61.606 11.115 11.532 187 2HZ LYS 22 HZ1 LYS 22 61.548 9.438 11.263 188 3HZ LYS 22 HZ3 LYS 22 63.000 10.284 11.031 189 H ALA 23 HN ALA 23 61.758 8.785 5.522 190 HA ALA 23 HA ALA 23 64.316 8.093 6.853 191 1HB ALA 23 HB2 ALA 23 61.881 7.044 7.035 192 2HB ALA 23 HB1 ALA 23 62.408 6.125 5.624 193 3HB ALA 23 HB3 ALA 23 63.303 6.011 7.139 194 H TYR 24 HN TYR 24 62.713 7.676 3.692 195 HA TYR 24 HA TYR 24 64.760 6.202 2.370 196 1HB TYR 24 HB2 TYR 24 62.534 6.549 1.450 197 2HB TYR 24 HB1 TYR 24 62.782 8.292 1.414 198 HD1 TYR 24 HD1 TYR 24 65.624 6.157 0.607 199 HD2 TYR 24 HD2 TYR 24 62.260 8.268 -1.034 200 HE1 TYR 24 HE1 TYR 24 66.621 5.989 -1.658 201 HE2 TYR 24 HE2 TYR 24 63.258 8.099 -3.297 202 HH TYR 24 HH TYR 24 66.300 7.550 -3.929 203 H LYS 25 HN LYS 25 64.094 9.714 2.295 204 HA LYS 25 HA LYS 25 66.521 10.481 0.989 205 1HB LYS 25 HB2 LYS 25 64.247 11.704 1.459 206 2HB LYS 25 HB1 LYS 25 65.020 12.187 2.969 207 1HG LYS 25 HG2 LYS 25 66.840 13.248 1.772 208 2HG LYS 25 HG1 LYS 25 66.241 12.632 0.232 209 1HD LYS 25 HD2 LYS 25 64.029 13.936 1.230 210 2HD LYS 25 HD1 LYS 25 65.351 14.962 1.790 211 1HE LYS 25 HE2 LYS 25 66.078 14.364 -0.834 212 2HE LYS 25 HE1 LYS 25 64.323 14.610 -0.926 213 1HZ LYS 25 HZ1 LYS 25 65.930 16.424 0.732 214 2HZ LYS 25 HZ3 LYS 25 65.933 16.652 -0.948 215 3HZ LYS 25 HZ2 LYS 25 64.471 16.721 -0.086 216 H ARG 26 HN ARG 26 65.595 10.443 4.466 217 HA ARG 26 HA ARG 26 67.958 11.493 5.575 218 1HB ARG 26 HB2 ARG 26 66.140 10.992 7.004 219 2HB ARG 26 HB1 ARG 26 66.019 9.335 6.413 220 1HG ARG 26 HG2 ARG 26 68.007 8.678 7.565 221 2HG ARG 26 HG1 ARG 26 68.444 10.352 7.908 222 1HD ARG 26 HD2 ARG 26 67.341 10.171 9.879 223 2HD ARG 26 HD1 ARG 26 65.831 9.966 8.966 224 HE ARG 26 HE ARG 26 66.462 7.496 8.833 225 1HH1 ARG 26 HH21 ARG 26 68.787 9.023 10.665 226 2HH1 ARG 26 HH22 ARG 26 68.620 8.013 12.062 227 1HH2 ARG 26 HH11 ARG 26 65.772 6.415 10.895 228 2HH2 ARG 26 HH12 ARG 26 66.916 6.533 12.190 229 H LEU 27 HN LEU 27 67.327 8.031 4.858 230 HA LEU 27 HA LEU 27 70.103 7.302 5.415 231 1HB LEU 27 HB2 LEU 27 67.555 6.073 5.121 232 2HB LEU 27 HB1 LEU 27 68.638 5.327 3.942 233 HG LEU 27 HG LEU 27 68.857 4.096 6.012 234 1HD1 LEU 27 HD13 LEU 27 70.939 4.919 4.651 235 2HD1 LEU 27 HD12 LEU 27 71.238 5.936 6.060 236 3HD1 LEU 27 HD11 LEU 27 71.192 4.181 6.233 237 1HD2 LEU 27 HD21 LEU 27 68.453 6.700 7.156 238 2HD2 LEU 27 HD23 LEU 27 68.465 5.138 7.974 239 3HD2 LEU 27 HD22 LEU 27 69.966 6.043 7.777 240 H ALA 28 HN ALA 28 68.161 7.911 2.494 241 HA ALA 28 HA ALA 28 70.182 6.921 0.660 242 1HB ALA 28 HB1 ALA 28 67.692 7.208 0.276 243 2HB ALA 28 HB3 ALA 28 67.998 8.943 0.174 244 3HB ALA 28 HB2 ALA 28 68.731 7.847 -0.998 245 H MET 29 HN MET 29 69.394 10.010 2.146 246 HA MET 29 HA MET 29 70.858 11.809 0.581 247 1HB MET 29 HB2 MET 29 70.302 11.427 3.500 248 2HB MET 29 HB1 MET 29 71.364 12.745 2.997 249 1HG MET 29 HG2 MET 29 69.048 12.649 1.287 250 2HG MET 29 HG1 MET 29 68.539 12.722 2.973 251 1HE MET 29 HE3 MET 29 68.147 14.453 0.590 252 2HE MET 29 HE2 MET 29 68.517 16.144 0.913 253 3HE MET 29 HE1 MET 29 69.654 15.161 -0.005 254 H LYS 30 HN LYS 30 71.930 9.660 3.145 255 HA LYS 30 HA LYS 30 74.697 10.220 3.254 256 1HB LYS 30 HB2 LYS 30 72.734 8.193 3.982 257 2HB LYS 30 HB1 LYS 30 74.296 7.474 3.584 258 1HG LYS 30 HG2 LYS 30 75.365 8.439 5.362 259 2HG LYS 30 HG1 LYS 30 74.384 9.903 5.283 260 1HD LYS 30 HD2 LYS 30 72.436 8.451 6.119 261 2HD LYS 30 HD1 LYS 30 73.655 7.237 6.507 262 1HE LYS 30 HE2 LYS 30 74.380 8.396 8.329 263 2HE LYS 30 HE1 LYS 30 74.338 9.943 7.461 264 1HZ LYS 30 HZ2 LYS 30 71.915 9.910 7.612 265 2HZ LYS 30 HZ1 LYS 30 71.978 8.463 8.500 266 3HZ LYS 30 HZ3 LYS 30 72.620 9.889 9.158 267 H TYR 31 HN TYR 31 72.769 8.744 0.833 268 HA TYR 31 HA TYR 31 75.177 7.617 -0.544 269 1HB TYR 31 HB2 TYR 31 72.278 6.935 -1.068 270 2HB TYR 31 HB1 TYR 31 73.712 5.967 -1.425 271 HD1 TYR 31 HD1 TYR 31 75.147 6.456 1.228 272 HD2 TYR 31 HD2 TYR 31 71.099 5.359 0.308 273 HE1 TYR 31 HE1 TYR 31 74.958 5.316 3.424 274 HE2 TYR 31 HE2 TYR 31 70.906 4.223 2.506 275 HH TYR 31 HH TYR 31 73.642 4.190 4.800 276 H HIS 32 HN HIS 32 72.276 9.607 -0.926 277 HA HIS 32 HA HIS 32 71.721 10.146 -3.452 278 1HB HIS 32 HB2 HIS 32 72.179 11.725 -1.076 279 2HB HIS 32 HB1 HIS 32 72.539 12.682 -2.517 280 HD1 HIS 32 HD1 HIS 32 70.580 13.215 -4.121 281 HD2 HIS 32 HD2 HIS 32 69.453 10.889 -0.850 282 HE1 HIS 32 HE1 HIS 32 68.048 13.187 -4.100 283 HA PRO 33 HA PRO 33 76.015 10.204 -5.084 284 1HB PRO 33 HB2 PRO 33 75.272 9.125 -7.491 285 2HB PRO 33 HB1 PRO 33 75.637 8.143 -6.056 286 1HG PRO 33 HG2 PRO 33 72.987 9.039 -7.103 287 2HG PRO 33 HG1 PRO 33 73.485 7.438 -6.526 288 1HD PRO 33 HD2 PRO 33 72.099 9.089 -4.960 289 2HD PRO 33 HD1 PRO 33 73.392 8.063 -4.299 290 H ASP 34 HN ASP 34 72.957 11.483 -6.271 291 HA ASP 34 HA ASP 34 73.603 12.897 -8.568 292 1HB ASP 34 HB2 ASP 34 71.423 13.140 -7.690 293 2HB ASP 34 HB1 ASP 34 72.020 13.557 -6.083 294 H ARG 35 HN ARG 35 74.455 13.689 -5.231 295 HA ARG 35 HA ARG 35 76.349 15.792 -6.157 296 1HB ARG 35 HB2 ARG 35 75.974 16.691 -3.965 297 2HB ARG 35 HB1 ARG 35 74.386 16.230 -4.561 298 1HG ARG 35 HG2 ARG 35 74.887 13.945 -3.395 299 2HG ARG 35 HG1 ARG 35 76.112 14.851 -2.505 300 1HD ARG 35 HD2 ARG 35 73.770 16.451 -2.457 301 2HD ARG 35 HD1 ARG 35 73.261 14.797 -2.060 302 HE ARG 35 HE ARG 35 75.560 15.064 -0.588 303 1HH1 ARG 35 HH11 ARG 35 72.759 17.044 -1.016 304 2HH1 ARG 35 HH12 ARG 35 72.823 17.701 0.584 305 1HH2 ARG 35 HH21 ARG 35 75.636 15.901 1.508 306 2HH2 ARG 35 HH22 ARG 35 74.447 17.055 2.010 307 H ASN 36 HN ASN 36 75.978 12.657 -4.787 308 HA ASN 36 HA ASN 36 78.762 12.629 -3.699 309 1HB ASN 36 HB2 ASN 36 76.290 10.911 -3.250 310 2HB ASN 36 HB1 ASN 36 77.844 10.671 -2.445 311 1HD2 ASN 36 HD22 ASN 36 75.552 12.918 -0.392 312 2HD2 ASN 36 HD21 ASN 36 75.270 11.427 -1.154 313 H GLN 37 HN GLN 37 79.346 12.342 -6.193 314 HA GLN 37 HA GLN 37 78.690 9.757 -7.369 315 1HB GLN 37 HB2 GLN 37 80.464 12.083 -8.002 316 2HB GLN 37 HB1 GLN 37 80.689 10.572 -8.882 317 1HG GLN 37 HG2 GLN 37 78.770 10.833 -10.053 318 2HG GLN 37 HG1 GLN 37 77.873 11.360 -8.629 319 1HE2 GLN 37 HE22 GLN 37 80.080 14.344 -10.394 320 2HE2 GLN 37 HE21 GLN 37 80.808 12.843 -10.083 321 H GLY 38 HN GLY 38 80.507 10.366 -4.727 322 1HA GLY 38 HA2 GLY 38 82.748 8.556 -5.410 323 2HA GLY 38 HA1 GLY 38 82.537 9.405 -3.872 324 H ASP 39 HN ASP 39 79.676 8.027 -5.044 325 HA ASP 39 HA ASP 39 79.995 5.430 -3.644 326 1HB ASP 39 HB2 ASP 39 78.684 7.868 -2.659 327 2HB ASP 39 HB1 ASP 39 77.628 6.454 -2.629 328 H LYS 40 HN LYS 40 79.278 6.756 -6.352 329 HA LYS 40 HA LYS 40 76.656 6.511 -7.162 330 1HB LYS 40 HB2 LYS 40 79.054 5.482 -8.632 331 2HB LYS 40 HB1 LYS 40 77.575 6.087 -9.357 332 1HG LYS 40 HG2 LYS 40 77.998 8.284 -8.277 333 2HG LYS 40 HG1 LYS 40 79.537 7.667 -7.696 334 1HD LYS 40 HD2 LYS 40 79.168 7.203 -10.553 335 2HD LYS 40 HD1 LYS 40 79.148 8.917 -10.131 336 1HE LYS 40 HE2 LYS 40 81.321 8.871 -9.276 337 2HE LYS 40 HE1 LYS 40 81.257 7.130 -8.945 338 1HZ LYS 40 HZ3 LYS 40 80.992 6.842 -11.418 339 2HZ LYS 40 HZ2 LYS 40 81.433 8.475 -11.583 340 3HZ LYS 40 HZ1 LYS 40 82.524 7.360 -10.909 341 H GLU 41 HN GLU 41 78.787 3.938 -6.195 342 HA GLU 41 HA GLU 41 77.320 1.726 -7.345 343 1HB GLU 41 HB2 GLU 41 79.697 1.902 -6.265 344 2HB GLU 41 HB1 GLU 41 78.844 1.661 -4.739 345 1HG GLU 41 HG2 GLU 41 78.107 -0.205 -6.922 346 2HG GLU 41 HG1 GLU 41 79.741 -0.385 -6.284 347 H ALA 42 HN ALA 42 76.504 3.965 -4.945 348 HA ALA 42 HA ALA 42 74.894 2.230 -3.242 349 1HB ALA 42 HB1 ALA 42 75.966 4.532 -2.739 350 2HB ALA 42 HB3 ALA 42 74.631 5.217 -3.665 351 3HB ALA 42 HB2 ALA 42 74.305 4.298 -2.195 352 H GLU 43 HN GLU 43 74.624 3.670 -6.333 353 HA GLU 43 HA GLU 43 71.978 4.314 -6.756 354 1HB GLU 43 HB2 GLU 43 73.679 4.375 -8.470 355 2HB GLU 43 HB1 GLU 43 73.926 2.632 -8.356 356 1HG GLU 43 HG2 GLU 43 71.153 3.530 -8.950 357 2HG GLU 43 HG1 GLU 43 72.341 3.759 -10.234 358 H ALA 44 HN ALA 44 73.376 1.109 -6.222 359 HA ALA 44 HA ALA 44 70.988 -0.427 -6.851 360 1HB ALA 44 HB1 ALA 44 73.664 -0.784 -5.625 361 2HB ALA 44 HB3 ALA 44 72.435 -1.910 -5.048 362 3HB ALA 44 HB2 ALA 44 72.808 -1.819 -6.769 363 H LYS 45 HN LYS 45 72.250 1.122 -3.888 364 HA LYS 45 HA LYS 45 70.545 -0.001 -1.971 365 1HB LYS 45 HB2 LYS 45 72.201 2.299 -2.270 366 2HB LYS 45 HB1 LYS 45 70.658 2.844 -1.598 367 1HG LYS 45 HG2 LYS 45 71.266 2.023 0.401 368 2HG LYS 45 HG1 LYS 45 71.311 0.405 -0.305 369 1HD LYS 45 HD2 LYS 45 73.638 1.859 -1.146 370 2HD LYS 45 HD1 LYS 45 73.507 1.949 0.611 371 1HE LYS 45 HE2 LYS 45 72.876 -0.693 0.141 372 2HE LYS 45 HE1 LYS 45 74.109 -0.377 -1.095 373 1HZ LYS 45 HZ2 LYS 45 74.563 0.753 1.558 374 2HZ LYS 45 HZ1 LYS 45 74.747 -0.929 1.409 375 3HZ LYS 45 HZ3 LYS 45 75.679 0.112 0.448 376 H PHE 46 HN PHE 46 69.790 2.153 -4.639 377 HA PHE 46 HA PHE 46 67.221 3.087 -3.766 378 1HB PHE 46 HB2 PHE 46 68.272 2.338 -6.528 379 2HB PHE 46 HB1 PHE 46 66.833 3.314 -6.234 380 HD1 PHE 46 HD1 PHE 46 68.115 4.697 -3.703 381 HD2 PHE 46 HD2 PHE 46 69.402 4.131 -7.763 382 HE1 PHE 46 HE1 PHE 46 69.527 6.727 -3.538 383 HE2 PHE 46 HE2 PHE 46 70.815 6.162 -7.597 384 HZ PHE 46 HZ PHE 46 70.878 7.459 -5.485 385 H LYS 47 HN LYS 47 68.353 0.040 -5.064 386 HA LYS 47 HA LYS 47 65.749 -1.108 -5.443 387 1HB LYS 47 HB2 LYS 47 67.021 -2.907 -6.291 388 2HB LYS 47 HB1 LYS 47 68.151 -1.579 -6.507 389 1HG LYS 47 HG2 LYS 47 69.623 -2.492 -5.082 390 2HG LYS 47 HG1 LYS 47 68.394 -2.795 -3.858 391 1HD LYS 47 HD2 LYS 47 68.582 -4.974 -4.388 392 2HD LYS 47 HD1 LYS 47 67.761 -4.572 -5.898 393 1HE LYS 47 HE2 LYS 47 69.713 -4.597 -7.129 394 2HE LYS 47 HE1 LYS 47 70.704 -4.060 -5.758 395 1HZ LYS 47 HZ2 LYS 47 70.175 -6.239 -4.693 396 2HZ LYS 47 HZ1 LYS 47 69.502 -6.743 -6.169 397 3HZ LYS 47 HZ3 LYS 47 71.152 -6.360 -6.079 398 H GLU 48 HN GLU 48 67.783 -0.408 -2.825 399 HA GLU 48 HA GLU 48 66.699 -2.538 -1.131 400 1HB GLU 48 HB2 GLU 48 68.684 -0.288 -0.672 401 2HB GLU 48 HB1 GLU 48 68.272 -1.498 0.546 402 1HG GLU 48 HG2 GLU 48 69.208 -2.338 -2.189 403 2HG GLU 48 HG1 GLU 48 70.373 -1.907 -0.938 404 H ILE 49 HN ILE 49 66.459 0.924 -1.682 405 HA ILE 49 HA ILE 49 64.363 1.062 0.444 406 HB ILE 49 HB ILE 49 65.994 3.183 -0.978 407 1HG1 ILE 49 HG12 ILE 49 66.539 3.235 1.748 408 2HG1 ILE 49 HG11 ILE 49 66.465 1.513 1.366 409 1HG2 ILE 49 HG21 ILE 49 63.748 3.257 0.991 410 2HG2 ILE 49 HG23 ILE 49 65.021 4.471 1.117 411 3HG2 ILE 49 HG22 ILE 49 64.084 4.327 -0.370 412 1HD1 ILE 49 HD13 ILE 49 67.902 3.274 -0.547 413 2HD1 ILE 49 HD12 ILE 49 68.694 2.929 0.991 414 3HD1 ILE 49 HD11 ILE 49 68.237 1.607 -0.083 415 H LYS 50 HN LYS 50 65.126 2.194 -2.883 416 HA LYS 50 HA LYS 50 62.436 3.139 -3.274 417 1HB LYS 50 HB2 LYS 50 64.853 3.443 -4.517 418 2HB LYS 50 HB1 LYS 50 64.059 2.326 -5.627 419 1HG LYS 50 HG2 LYS 50 62.038 4.101 -5.145 420 2HG LYS 50 HG1 LYS 50 63.446 5.159 -5.050 421 1HD LYS 50 HD2 LYS 50 63.721 3.343 -7.283 422 2HD LYS 50 HD1 LYS 50 62.190 4.212 -7.392 423 1HE LYS 50 HE2 LYS 50 63.399 5.938 -8.250 424 2HE LYS 50 HE1 LYS 50 64.028 6.173 -6.606 425 1HZ LYS 50 HZ2 LYS 50 65.163 4.056 -8.302 426 2HZ LYS 50 HZ1 LYS 50 65.668 5.660 -8.541 427 3HZ LYS 50 HZ3 LYS 50 65.889 4.920 -7.031 428 H GLU 51 HN GLU 51 64.005 0.016 -3.547 429 HA GLU 51 HA GLU 51 61.754 -1.089 -5.141 430 1HB GLU 51 HB2 GLU 51 63.661 -2.163 -5.808 431 2HB GLU 51 HB1 GLU 51 64.494 -1.676 -4.356 432 1HG GLU 51 HG2 GLU 51 64.404 -4.051 -4.238 433 2HG GLU 51 HG1 GLU 51 63.157 -3.491 -3.128 434 H ALA 52 HN ALA 52 63.120 -1.106 -1.892 435 HA ALA 52 HA ALA 52 61.120 -2.968 -0.795 436 1HB ALA 52 HB1 ALA 52 63.670 -2.431 -0.211 437 2HB ALA 52 HB3 ALA 52 62.935 -1.211 0.829 438 3HB ALA 52 HB2 ALA 52 62.544 -2.916 1.055 439 H TYR 53 HN TYR 53 62.010 0.455 -0.344 440 HA TYR 53 HA TYR 53 59.652 1.097 1.222 441 1HB TYR 53 HB2 TYR 53 61.026 2.802 1.725 442 2HB TYR 53 HB1 TYR 53 62.201 2.122 0.628 443 HD1 TYR 53 HD2 TYR 53 60.957 2.694 -2.032 444 HD2 TYR 53 HD1 TYR 53 61.200 5.085 1.522 445 HE1 TYR 53 HE2 TYR 53 60.879 4.751 -3.406 446 HE2 TYR 53 HE1 TYR 53 61.126 7.138 0.150 447 HH TYR 53 HH TYR 53 60.299 7.818 -2.096 448 H GLU 54 HN GLU 54 59.868 0.325 -1.964 449 HA GLU 54 HA GLU 54 58.264 2.433 -3.172 450 1HB GLU 54 HB2 GLU 54 59.255 1.332 -4.898 451 2HB GLU 54 HB1 GLU 54 59.629 -0.051 -3.875 452 1HG GLU 54 HG2 GLU 54 57.626 -1.146 -4.400 453 2HG GLU 54 HG1 GLU 54 56.816 0.350 -4.868 454 H VAL 55 HN VAL 55 57.629 -0.322 -1.194 455 HA VAL 55 HA VAL 55 54.740 -0.226 -1.910 456 HB VAL 55 HB VAL 55 55.293 -2.452 -2.158 457 1HG1 VAL 55 HG11 VAL 55 57.500 -1.824 -0.260 458 2HG1 VAL 55 HG13 VAL 55 56.981 -3.495 -0.412 459 3HG1 VAL 55 HG12 VAL 55 57.559 -2.625 -1.831 460 1HG2 VAL 55 HG21 VAL 55 53.813 -1.992 0.024 461 2HG2 VAL 55 HG23 VAL 55 54.291 -3.623 -0.446 462 3HG2 VAL 55 HG22 VAL 55 55.191 -2.767 0.804 463 H LEU 56 HN LEU 56 57.009 0.239 0.666 464 HA LEU 56 HA LEU 56 55.235 0.196 2.897 465 1HB LEU 56 HB2 LEU 56 57.899 0.837 2.184 466 2HB LEU 56 HB1 LEU 56 57.273 2.204 3.114 467 HG LEU 56 HG LEU 56 56.518 0.654 4.889 468 1HD1 LEU 56 HD12 LEU 56 56.987 -1.279 2.818 469 2HD1 LEU 56 HD11 LEU 56 57.987 -1.685 4.212 470 3HD1 LEU 56 HD13 LEU 56 56.240 -1.521 4.397 471 1HD2 LEU 56 HD23 LEU 56 59.426 0.446 4.059 472 2HD2 LEU 56 HD22 LEU 56 58.714 1.585 5.202 473 3HD2 LEU 56 HD21 LEU 56 58.821 -0.123 5.615 474 H THR 57 HN THR 57 55.458 2.340 0.231 475 HA THR 57 HA THR 57 53.966 4.489 1.691 476 HB THR 57 HB THR 57 55.273 5.878 0.458 477 HG1 THR 57 HG1 THR 57 53.579 5.654 -1.092 478 1HG2 THR 57 HG22 THR 57 56.863 3.870 0.472 479 2HG2 THR 57 HG21 THR 57 56.309 3.551 -1.172 480 3HG2 THR 57 HG23 THR 57 57.131 5.065 -0.798 481 H ASP 58 HN ASP 58 53.107 1.759 0.471 482 HA ASP 58 HA ASP 58 50.657 2.808 -0.855 483 1HB ASP 58 HB2 ASP 58 52.532 2.247 -2.498 484 2HB ASP 58 HB1 ASP 58 52.362 0.565 -1.977 485 H SER 59 HN SER 59 48.951 1.089 -0.926 486 HA SER 59 HA SER 59 49.318 -0.886 1.298 487 1HB SER 59 HB2 SER 59 47.227 0.970 0.423 488 2HB SER 59 HB1 SER 59 46.608 -0.654 0.710 489 HG SER 59 HG SER 59 47.101 1.136 2.506 490 H GLN 60 HN GLN 60 48.888 -0.572 -2.090 491 HA GLN 60 HA GLN 60 47.596 -3.189 -2.483 492 1HB GLN 60 HB2 GLN 60 47.740 -2.540 -4.823 493 2HB GLN 60 HB1 GLN 60 47.250 -1.124 -3.888 494 1HG GLN 60 HG2 GLN 60 49.881 -0.774 -3.719 495 2HG GLN 60 HG1 GLN 60 49.862 -1.713 -5.211 496 1HE2 GLN 60 HE22 GLN 60 47.860 1.893 -5.235 497 2HE2 GLN 60 HE21 GLN 60 47.903 0.986 -3.800 498 H LYS 61 HN LYS 61 50.850 -1.874 -2.354 499 HA LYS 61 HA LYS 61 52.051 -4.216 -3.676 500 1HB LYS 61 HB2 LYS 61 53.398 -1.998 -2.110 501 2HB LYS 61 HB1 LYS 61 54.065 -2.952 -3.436 502 1HG LYS 61 HG2 LYS 61 52.509 -1.910 -5.012 503 2HG LYS 61 HG1 LYS 61 51.765 -0.993 -3.702 504 1HD LYS 61 HD2 LYS 61 53.532 0.466 -3.530 505 2HD LYS 61 HD1 LYS 61 54.718 -0.753 -4.001 506 1HE LYS 61 HE2 LYS 61 54.410 -0.376 -6.266 507 2HE LYS 61 HE1 LYS 61 52.719 0.122 -6.057 508 1HZ LYS 61 HZ3 LYS 61 54.964 1.681 -4.919 509 2HZ LYS 61 HZ2 LYS 61 54.394 1.961 -6.495 510 3HZ LYS 61 HZ1 LYS 61 53.359 2.175 -5.164 511 H ARG 62 HN ARG 62 51.544 -2.781 -0.509 512 HA ARG 62 HA ARG 62 53.115 -4.374 1.172 513 1HB ARG 62 HB2 ARG 62 50.256 -3.377 1.449 514 2HB ARG 62 HB1 ARG 62 51.257 -3.916 2.799 515 1HG ARG 62 HG2 ARG 62 52.142 -1.731 0.909 516 2HG ARG 62 HG1 ARG 62 51.209 -1.393 2.365 517 1HD ARG 62 HD2 ARG 62 53.608 -3.142 2.687 518 2HD ARG 62 HD1 ARG 62 53.895 -1.413 2.400 519 HE ARG 62 HE ARG 62 52.933 -2.476 4.853 520 1HH1 ARG 62 HH11 ARG 62 53.025 0.296 2.915 521 2HH1 ARG 62 HH12 ARG 62 51.891 1.197 3.867 522 1HH2 ARG 62 HH21 ARG 62 51.090 -1.477 5.923 523 2HH2 ARG 62 HH22 ARG 62 50.797 0.193 5.571 524 H ALA 63 HN ALA 63 49.718 -5.031 0.200 525 HA ALA 63 HA ALA 63 49.441 -7.617 1.218 526 1HB ALA 63 HB3 ALA 63 47.829 -6.078 -0.108 527 2HB ALA 63 HB2 ALA 63 48.544 -6.790 -1.554 528 3HB ALA 63 HB1 ALA 63 47.688 -7.811 -0.400 529 H ALA 64 HN ALA 64 51.318 -6.488 -1.506 530 HA ALA 64 HA ALA 64 51.939 -9.204 -2.493 531 1HB ALA 64 HB2 ALA 64 52.131 -6.406 -3.332 532 2HB ALA 64 HB1 ALA 64 53.617 -7.290 -3.670 533 3HB ALA 64 HB3 ALA 64 52.083 -7.858 -4.331 534 H TYR 65 HN TYR 65 53.763 -6.419 -1.293 535 HA TYR 65 HA TYR 65 56.237 -7.839 -0.932 536 1HB TYR 65 HB2 TYR 65 55.132 -5.217 -0.865 537 2HB TYR 65 HB1 TYR 65 56.015 -5.455 0.640 538 HD1 TYR 65 HD1 TYR 65 58.350 -6.699 0.381 539 HD2 TYR 65 HD2 TYR 65 56.336 -4.574 -2.761 540 HE1 TYR 65 HE1 TYR 65 60.499 -6.462 -0.835 541 HE2 TYR 65 HE2 TYR 65 58.486 -4.335 -3.978 542 HH TYR 65 HH TYR 65 60.759 -5.747 -3.981 543 H ASP 66 HN ASP 66 53.496 -7.124 1.213 544 HA ASP 66 HA ASP 66 54.802 -7.623 3.677 545 1HB ASP 66 HB2 ASP 66 52.616 -7.667 4.546 546 2HB ASP 66 HB1 ASP 66 52.400 -6.764 3.050 547 H GLN 67 HN GLN 67 53.798 -9.757 1.117 548 HA GLN 67 HA GLN 67 54.216 -12.165 2.836 549 1HB GLN 67 HB2 GLN 67 53.363 -12.149 -0.055 550 2HB GLN 67 HB1 GLN 67 52.938 -13.297 1.214 551 1HG GLN 67 HG2 GLN 67 51.829 -11.172 2.331 552 2HG GLN 67 HG1 GLN 67 51.819 -10.572 0.674 553 1HE2 GLN 67 HE22 GLN 67 48.661 -12.287 0.606 554 2HE2 GLN 67 HE21 GLN 67 49.373 -10.769 0.871 555 H TYR 68 HN TYR 68 55.668 -10.284 0.290 556 HA TYR 68 HA TYR 68 57.593 -12.448 -0.388 557 1HB TYR 68 HB2 TYR 68 56.456 -10.055 -1.618 558 2HB TYR 68 HB1 TYR 68 58.212 -10.123 -1.800 559 HD1 TYR 68 HD1 TYR 68 56.066 -13.116 -1.445 560 HD2 TYR 68 HD2 TYR 68 58.246 -10.608 -4.169 561 HE1 TYR 68 HE1 TYR 68 55.807 -14.822 -3.226 562 HE2 TYR 68 HE2 TYR 68 57.988 -12.315 -5.948 563 HH TYR 68 HH TYR 68 55.956 -14.407 -6.206 564 H GLY 69 HN GLY 69 57.415 -10.460 2.131 565 1HA GLY 69 HA2 GLY 69 59.901 -8.993 2.033 566 2HA GLY 69 HA1 GLY 69 58.986 -9.361 3.498 567 H HIS 70 HN HIS 70 60.802 -11.238 1.039 568 HA HIS 70 HA HIS 70 62.663 -12.266 3.015 569 1HB HIS 70 HB2 HIS 70 60.463 -13.398 3.519 570 2HB HIS 70 HB1 HIS 70 60.537 -14.120 1.905 571 HD1 HIS 70 HD1 HIS 70 63.905 -13.895 3.066 572 HD2 HIS 70 HD2 HIS 70 60.754 -16.516 3.827 573 HE1 HIS 70 HE1 HIS 70 64.940 -16.002 4.016 574 H ALA 71 HN ALA 71 62.000 -14.776 0.927 575 HA ALA 71 HA ALA 71 64.278 -14.069 -0.797 576 1HB ALA 71 HB3 ALA 71 62.808 -16.407 0.126 577 2HB ALA 71 HB2 ALA 71 63.087 -16.472 -1.614 578 3HB ALA 71 HB1 ALA 71 64.451 -16.309 -0.506 579 H ALA 72 HN ALA 72 61.792 -12.486 -1.048 580 HA ALA 72 HA ALA 72 59.982 -13.096 -3.018 581 1HB ALA 72 HB3 ALA 72 61.605 -10.600 -2.497 582 2HB ALA 72 HB2 ALA 72 60.299 -10.621 -3.681 583 3HB ALA 72 HB1 ALA 72 59.956 -10.952 -1.983 584 H PHE 73 HN PHE 73 63.333 -11.982 -3.642 585 HA PHE 73 HA PHE 73 62.999 -12.842 -6.495 586 1HB PHE 73 HB2 PHE 73 64.098 -10.538 -5.127 587 2HB PHE 73 HB1 PHE 73 65.327 -11.286 -6.147 588 HD1 PHE 73 HD2 PHE 73 61.681 -11.445 -6.780 589 HD2 PHE 73 HD1 PHE 73 65.407 -9.612 -7.877 590 HE1 PHE 73 HE2 PHE 73 60.608 -10.470 -8.793 591 HE2 PHE 73 HE1 PHE 73 64.335 -8.638 -9.889 592 HZ PHE 73 HZ PHE 73 61.936 -9.066 -10.347 593 H GLU 74 HN GLU 74 64.957 -13.218 -3.583 594 HA GLU 74 HA GLU 74 66.556 -14.886 -3.057 595 1HB GLU 74 HB2 GLU 74 64.807 -15.944 -4.986 596 2HB GLU 74 HB1 GLU 74 66.424 -16.318 -5.586 597 1HG GLU 74 HG2 GLU 74 66.985 -17.562 -3.677 598 2HG GLU 74 HG1 GLU 74 65.732 -16.800 -2.697 599 H GLN 75 HN GLN 75 66.744 -14.322 -6.599 600 HA GLN 75 HA GLN 75 68.591 -13.689 -7.937 601 1HB GLN 75 HB2 GLN 75 68.315 -11.642 -6.668 602 2HB GLN 75 HB1 GLN 75 69.152 -12.337 -5.280 603 1HG GLN 75 HG2 GLN 75 71.136 -11.685 -6.111 604 2HG GLN 75 HG1 GLN 75 70.832 -12.586 -7.597 605 1HE2 GLN 75 HE22 GLN 75 69.038 -9.532 -8.912 606 2HE2 GLN 75 HE21 GLN 75 68.514 -11.089 -8.490 607 H GLY 76 HN GLY 76 69.080 -16.182 -7.513 608 1HA GLY 76 HA2 GLY 76 71.195 -17.411 -7.665 609 2HA GLY 76 HA1 GLY 76 71.866 -16.315 -6.455 610 H GLY 77 HN GLY 77 69.780 -19.098 -6.951 611 1HA GLY 77 HA2 GLY 77 70.384 -20.470 -4.637 612 2HA GLY 77 HA1 GLY 77 69.104 -19.369 -4.127 No H/Q in entry = 612 Start of MODEL 7 1 1H ALA 1 HT3 ALA 1 66.790 -11.393 6.834 2 2H ALA 1 HT2 ALA 1 68.327 -12.101 6.682 3 3H ALA 1 HT1 ALA 1 67.263 -12.080 5.357 4 HA ALA 1 HA ALA 1 66.976 -14.234 6.081 5 1HB ALA 1 HB2 ALA 1 67.672 -12.900 8.679 6 2HB ALA 1 HB1 ALA 1 66.881 -14.477 8.713 7 3HB ALA 1 HB3 ALA 1 68.434 -14.287 7.900 8 H LYS 2 HN LYS 2 65.514 -12.014 8.502 9 HA LYS 2 HA LYS 2 62.829 -12.564 7.364 10 1HB LYS 2 HB2 LYS 2 63.949 -13.585 9.941 11 2HB LYS 2 HB1 LYS 2 62.259 -13.080 9.930 12 1HG LYS 2 HG2 LYS 2 61.806 -15.138 9.105 13 2HG LYS 2 HG1 LYS 2 62.487 -14.547 7.589 14 1HD LYS 2 HD2 LYS 2 63.757 -16.474 7.971 15 2HD LYS 2 HD1 LYS 2 64.781 -15.218 8.668 16 1HE LYS 2 HE2 LYS 2 63.560 -15.708 10.896 17 2HE LYS 2 HE1 LYS 2 63.011 -17.202 10.109 18 1HZ LYS 2 HZ2 LYS 2 65.374 -17.580 9.466 19 2HZ LYS 2 HZ1 LYS 2 65.812 -16.285 10.475 20 3HZ LYS 2 HZ3 LYS 2 65.092 -17.669 11.139 21 H GLN 3 HN GLN 3 64.203 -10.120 7.364 22 HA GLN 3 HA GLN 3 62.824 -8.565 9.532 23 1HB GLN 3 HB2 GLN 3 65.372 -8.077 7.954 24 2HB GLN 3 HB1 GLN 3 64.677 -6.914 9.084 25 1HG GLN 3 HG2 GLN 3 65.364 -8.085 10.910 26 2HG GLN 3 HG1 GLN 3 64.983 -9.641 10.170 27 1HE2 GLN 3 HE22 GLN 3 68.770 -8.948 10.440 28 2HE2 GLN 3 HE21 GLN 3 67.537 -8.624 11.560 29 H ASP 4 HN ASP 4 60.966 -7.835 8.598 30 HA ASP 4 HA ASP 4 60.261 -7.394 5.971 31 1HB ASP 4 HB2 ASP 4 59.070 -7.048 8.267 32 2HB ASP 4 HB1 ASP 4 59.640 -5.385 8.129 33 H TYR 5 HN TYR 5 60.101 -5.261 4.764 34 HA TYR 5 HA TYR 5 62.668 -3.755 5.038 35 1HB TYR 5 HB2 TYR 5 61.230 -3.166 2.613 36 2HB TYR 5 HB1 TYR 5 62.794 -3.962 2.796 37 HD1 TYR 5 HD1 TYR 5 62.549 -6.488 3.762 38 HD2 TYR 5 HD2 TYR 5 59.583 -4.361 1.499 39 HE1 TYR 5 HE1 TYR 5 61.538 -8.640 3.068 40 HE2 TYR 5 HE2 TYR 5 58.571 -6.512 0.806 41 HH TYR 5 HH TYR 5 58.755 -8.732 0.851 42 H TYR 6 HN TYR 6 59.740 -3.402 6.256 43 HA TYR 6 HA TYR 6 59.076 -0.682 5.381 44 1HB TYR 6 HB2 TYR 6 57.104 -1.242 6.341 45 2HB TYR 6 HB1 TYR 6 57.785 -2.844 6.590 46 HD1 TYR 6 HD1 TYR 6 58.117 0.549 8.209 47 HD2 TYR 6 HD2 TYR 6 57.535 -3.672 8.732 48 HE1 TYR 6 HE1 TYR 6 57.991 0.862 10.655 49 HE2 TYR 6 HE2 TYR 6 57.404 -3.346 11.184 50 HH TYR 6 HH TYR 6 58.123 -1.748 12.863 51 H GLU 7 HN GLU 7 60.599 -2.278 8.142 52 HA GLU 7 HA GLU 7 61.111 0.235 9.539 53 1HB GLU 7 HB2 GLU 7 61.191 -2.604 9.995 54 2HB GLU 7 HB1 GLU 7 62.746 -1.912 10.459 55 1HG GLU 7 HG2 GLU 7 60.118 -0.703 11.337 56 2HG GLU 7 HG1 GLU 7 60.946 -1.942 12.278 57 H ILE 8 HN ILE 8 62.833 -1.920 7.334 58 HA ILE 8 HA ILE 8 65.494 -1.176 7.641 59 HB ILE 8 HB ILE 8 63.701 -2.128 5.521 60 1HG1 ILE 8 HG12 ILE 8 65.786 -3.495 5.021 61 2HG1 ILE 8 HG11 ILE 8 66.568 -2.633 6.346 62 1HG2 ILE 8 HG22 ILE 8 66.112 -0.460 4.763 63 2HG2 ILE 8 HG21 ILE 8 65.422 -1.678 3.691 64 3HG2 ILE 8 HG23 ILE 8 64.456 -0.288 4.183 65 1HD1 ILE 8 HD11 ILE 8 64.057 -3.496 7.330 66 2HD1 ILE 8 HD13 ILE 8 64.760 -4.871 6.478 67 3HD1 ILE 8 HD12 ILE 8 65.652 -4.094 7.787 68 H LEU 9 HN LEU 9 62.800 0.755 6.460 69 HA LEU 9 HA LEU 9 64.662 2.972 5.721 70 1HB LEU 9 HB2 LEU 9 61.651 2.835 5.425 71 2HB LEU 9 HB1 LEU 9 62.788 3.816 4.499 72 HG LEU 9 HG LEU 9 62.986 0.809 4.445 73 1HD1 LEU 9 HD11 LEU 9 60.923 2.542 3.199 74 2HD1 LEU 9 HD13 LEU 9 61.664 1.324 2.160 75 3HD1 LEU 9 HD12 LEU 9 60.845 0.837 3.643 76 1HD2 LEU 9 HD21 LEU 9 64.381 2.993 3.292 77 2HD2 LEU 9 HD23 LEU 9 64.612 1.276 2.957 78 3HD2 LEU 9 HD22 LEU 9 63.483 2.220 1.985 79 H GLY 10 HN GLY 10 63.981 2.108 8.572 80 1HA GLY 10 HA2 GLY 10 63.229 3.085 10.588 81 2HA GLY 10 HA1 GLY 10 63.887 4.566 9.883 82 H VAL 11 HN VAL 11 60.974 2.512 9.848 83 HA VAL 11 HA VAL 11 59.302 4.981 9.683 84 HB VAL 11 HB VAL 11 58.791 2.600 7.893 85 1HG1 VAL 11 HG13 VAL 11 57.603 5.158 8.344 86 2HG1 VAL 11 HG12 VAL 11 58.257 5.131 6.706 87 3HG1 VAL 11 HG11 VAL 11 57.099 3.901 7.214 88 1HG2 VAL 11 HG23 VAL 11 60.755 4.850 7.476 89 2HG2 VAL 11 HG22 VAL 11 61.006 3.120 7.235 90 3HG2 VAL 11 HG21 VAL 11 59.997 4.032 6.111 91 H SER 12 HN SER 12 56.880 3.514 9.241 92 HA SER 12 HA SER 12 56.709 1.764 11.656 93 1HB SER 12 HB2 SER 12 55.234 4.186 10.786 94 2HB SER 12 HB1 SER 12 54.242 2.889 11.445 95 HG SER 12 HG SER 12 54.910 4.124 13.155 96 H LYS 13 HN LYS 13 56.365 2.013 8.323 97 HA LYS 13 HA LYS 13 55.604 0.427 6.762 98 1HB LYS 13 HB2 LYS 13 55.527 -1.663 7.590 99 2HB LYS 13 HB1 LYS 13 55.775 -0.945 9.175 100 1HG LYS 13 HG2 LYS 13 53.303 -0.757 9.458 101 2HG LYS 13 HG1 LYS 13 53.086 -1.545 7.898 102 1HD LYS 13 HD2 LYS 13 53.892 -3.601 8.675 103 2HD LYS 13 HD1 LYS 13 54.765 -2.860 10.015 104 1HE LYS 13 HE2 LYS 13 52.983 -3.179 11.368 105 2HE LYS 13 HE1 LYS 13 51.960 -2.242 10.264 106 1HZ LYS 13 HZ1 LYS 13 51.849 -4.235 8.826 107 2HZ LYS 13 HZ3 LYS 13 52.668 -5.118 10.021 108 3HZ LYS 13 HZ2 LYS 13 51.128 -4.476 10.346 109 H THR 14 HN THR 14 53.374 1.508 9.314 110 HA THR 14 HA THR 14 51.077 1.390 7.455 111 HB THR 14 HB THR 14 49.829 2.003 9.430 112 HG1 THR 14 HG1 THR 14 50.717 3.044 11.080 113 1HG2 THR 14 HG23 THR 14 50.922 -0.294 9.367 114 2HG2 THR 14 HG22 THR 14 52.142 0.355 10.465 115 3HG2 THR 14 HG21 THR 14 50.453 0.283 10.966 116 H ALA 15 HN ALA 15 53.704 3.317 7.768 117 HA ALA 15 HA ALA 15 52.661 5.992 7.871 118 1HB ALA 15 HB1 ALA 15 55.148 4.607 7.612 119 2HB ALA 15 HB3 ALA 15 55.038 5.733 6.259 120 3HB ALA 15 HB2 ALA 15 54.909 6.327 7.913 121 H GLU 16 HN GLU 16 53.879 7.051 5.572 122 HA GLU 16 HA GLU 16 52.592 5.817 3.226 123 1HB GLU 16 HB2 GLU 16 51.888 8.550 4.358 124 2HB GLU 16 HB1 GLU 16 51.336 7.942 2.793 125 1HG GLU 16 HG2 GLU 16 50.425 5.918 4.110 126 2HG GLU 16 HG1 GLU 16 50.646 6.916 5.547 127 H GLU 17 HN GLU 17 52.917 8.880 2.372 128 HA GLU 17 HA GLU 17 55.662 8.521 1.343 129 1HB GLU 17 HB2 GLU 17 53.237 9.638 0.447 130 2HB GLU 17 HB1 GLU 17 54.323 11.009 0.675 131 1HG GLU 17 HG2 GLU 17 55.888 10.192 -0.867 132 2HG GLU 17 HG1 GLU 17 55.292 8.537 -0.740 133 H ARG 18 HN ARG 18 54.120 10.053 3.974 134 HA ARG 18 HA ARG 18 55.745 12.414 4.166 135 1HB ARG 18 HB2 ARG 18 54.549 12.775 6.152 136 2HB ARG 18 HB1 ARG 18 53.452 11.759 5.227 137 1HG ARG 18 HG2 ARG 18 55.419 10.442 7.081 138 2HG ARG 18 HG1 ARG 18 53.985 11.203 7.754 139 1HD ARG 18 HD2 ARG 18 53.234 9.622 5.454 140 2HD ARG 18 HD1 ARG 18 54.132 8.626 6.613 141 HE ARG 18 HE ARG 18 52.548 9.516 8.370 142 1HH1 ARG 18 HH11 ARG 18 51.631 11.117 5.642 143 2HH1 ARG 18 HH12 ARG 18 49.986 10.572 5.623 144 1HH2 ARG 18 HH21 ARG 18 50.473 8.181 8.088 145 2HH2 ARG 18 HH22 ARG 18 49.332 8.907 7.006 146 H GLU 19 HN GLU 19 56.211 9.123 5.449 147 HA GLU 19 HA GLU 19 58.713 10.111 6.744 148 1HB GLU 19 HB2 GLU 19 56.727 8.227 7.459 149 2HB GLU 19 HB1 GLU 19 58.197 7.305 7.122 150 1HG GLU 19 HG2 GLU 19 59.446 8.438 8.733 151 2HG GLU 19 HG1 GLU 19 58.355 9.824 8.743 152 H ILE 20 HN ILE 20 57.489 7.740 4.420 153 HA ILE 20 HA ILE 20 59.993 6.586 3.788 154 HB ILE 20 HB ILE 20 57.270 6.627 2.848 155 1HG1 ILE 20 HG12 ILE 20 57.891 4.355 2.142 156 2HG1 ILE 20 HG11 ILE 20 59.596 4.755 2.349 157 1HG2 ILE 20 HG22 ILE 20 59.415 6.896 0.740 158 2HG2 ILE 20 HG21 ILE 20 57.941 5.982 0.424 159 3HG2 ILE 20 HG23 ILE 20 57.847 7.698 0.818 160 1HD1 ILE 20 HD12 ILE 20 57.508 4.819 4.548 161 2HD1 ILE 20 HD11 ILE 20 58.712 3.551 4.324 162 3HD1 ILE 20 HD13 ILE 20 59.221 5.186 4.741 163 H ARG 21 HN ARG 21 58.755 9.769 3.237 164 HA ARG 21 HA ARG 21 60.549 10.293 0.965 165 1HB ARG 21 HB2 ARG 21 59.481 12.496 1.009 166 2HB ARG 21 HB1 ARG 21 58.246 11.252 1.183 167 1HG ARG 21 HG2 ARG 21 58.272 11.564 3.628 168 2HG ARG 21 HG1 ARG 21 59.512 12.809 3.456 169 1HD ARG 21 HD2 ARG 21 57.814 13.945 1.822 170 2HD ARG 21 HD1 ARG 21 56.617 12.914 2.627 171 HE ARG 21 HE ARG 21 58.181 14.055 4.674 172 1HH1 ARG 21 HH21 ARG 21 55.696 14.776 2.422 173 2HH1 ARG 21 HH22 ARG 21 55.317 16.315 3.120 174 1HH2 ARG 21 HH11 ARG 21 57.872 16.182 5.459 175 2HH2 ARG 21 HH12 ARG 21 56.552 17.113 4.834 176 H LYS 22 HN LYS 22 60.376 11.053 4.405 177 HA LYS 22 HA LYS 22 62.884 12.602 4.288 178 1HB LYS 22 HB2 LYS 22 61.073 13.363 5.748 179 2HB LYS 22 HB1 LYS 22 60.959 11.766 6.489 180 1HG LYS 22 HG2 LYS 22 63.622 13.103 6.553 181 2HG LYS 22 HG1 LYS 22 62.371 13.758 7.609 182 1HD LYS 22 HD2 LYS 22 63.330 10.881 7.528 183 2HD LYS 22 HD1 LYS 22 63.617 12.046 8.819 184 1HE LYS 22 HE2 LYS 22 60.792 11.954 8.308 185 2HE LYS 22 HE1 LYS 22 61.388 10.298 8.543 186 1HZ LYS 22 HZ3 LYS 22 62.185 12.564 10.283 187 2HZ LYS 22 HZ2 LYS 22 60.863 11.557 10.641 188 3HZ LYS 22 HZ1 LYS 22 62.433 10.909 10.558 189 H ALA 23 HN ALA 23 61.552 9.483 5.066 190 HA ALA 23 HA ALA 23 63.887 8.438 6.477 191 1HB ALA 23 HB3 ALA 23 61.516 7.175 5.059 192 2HB ALA 23 HB2 ALA 23 62.663 6.282 6.052 193 3HB ALA 23 HB1 ALA 23 61.643 7.517 6.785 194 H TYR 24 HN TYR 24 62.493 7.903 3.217 195 HA TYR 24 HA TYR 24 64.522 6.351 2.062 196 1HB TYR 24 HB2 TYR 24 62.475 6.874 0.902 197 2HB TYR 24 HB1 TYR 24 62.791 8.601 0.994 198 HD1 TYR 24 HD2 TYR 24 64.890 9.500 -0.184 199 HD2 TYR 24 HD1 TYR 24 63.233 5.614 -0.954 200 HE1 TYR 24 HE2 TYR 24 66.111 9.408 -2.341 201 HE2 TYR 24 HE1 TYR 24 64.453 5.522 -3.109 202 HH TYR 24 HH TYR 24 65.759 6.612 -4.527 203 H LYS 25 HN LYS 25 64.252 9.885 2.323 204 HA LYS 25 HA LYS 25 66.827 10.484 1.146 205 1HB LYS 25 HB2 LYS 25 64.493 11.803 2.008 206 2HB LYS 25 HB1 LYS 25 65.782 12.443 3.028 207 1HG LYS 25 HG2 LYS 25 67.087 12.582 0.726 208 2HG LYS 25 HG1 LYS 25 65.455 12.616 0.057 209 1HD LYS 25 HD2 LYS 25 66.514 14.488 2.197 210 2HD LYS 25 HD1 LYS 25 66.282 14.903 0.499 211 1HE LYS 25 HE2 LYS 25 64.045 15.216 0.784 212 2HE LYS 25 HE1 LYS 25 63.883 13.720 1.727 213 1HZ LYS 25 HZ2 LYS 25 65.423 15.801 3.016 214 2HZ LYS 25 HZ1 LYS 25 63.786 16.192 2.789 215 3HZ LYS 25 HZ3 LYS 25 64.210 14.797 3.653 216 H ARG 26 HN ARG 26 65.590 10.283 4.510 217 HA ARG 26 HA ARG 26 68.011 10.993 5.847 218 1HB ARG 26 HB2 ARG 26 65.542 9.415 6.433 219 2HB ARG 26 HB1 ARG 26 66.888 9.254 7.558 220 1HG ARG 26 HG2 ARG 26 65.910 11.963 6.659 221 2HG ARG 26 HG1 ARG 26 65.189 11.131 8.039 222 1HD ARG 26 HD2 ARG 26 67.034 11.462 9.363 223 2HD ARG 26 HD1 ARG 26 68.163 11.242 8.012 224 HE ARG 26 HE ARG 26 66.739 13.606 7.463 225 1HH1 ARG 26 HH11 ARG 26 69.774 13.094 8.067 226 2HH1 ARG 26 HH12 ARG 26 70.031 14.298 9.285 227 1HH2 ARG 26 HH21 ARG 26 66.650 14.850 9.823 228 2HH2 ARG 26 HH22 ARG 26 68.261 15.291 10.281 229 H LEU 27 HN LEU 27 66.818 7.698 5.050 230 HA LEU 27 HA LEU 27 69.305 6.446 5.888 231 1HB LEU 27 HB2 LEU 27 66.647 5.732 5.144 232 2HB LEU 27 HB1 LEU 27 67.755 4.822 4.112 233 HG LEU 27 HG LEU 27 67.249 3.643 6.260 234 1HD1 LEU 27 HD12 LEU 27 69.860 4.306 5.166 235 2HD1 LEU 27 HD11 LEU 27 69.968 3.960 6.892 236 3HD1 LEU 27 HD13 LEU 27 69.277 2.765 5.793 237 1HD2 LEU 27 HD21 LEU 27 67.712 6.258 7.303 238 2HD2 LEU 27 HD23 LEU 27 67.250 4.806 8.191 239 3HD2 LEU 27 HD22 LEU 27 68.955 5.197 7.964 240 H ALA 28 HN ALA 28 68.132 7.821 2.885 241 HA ALA 28 HA ALA 28 69.956 6.387 1.140 242 1HB ALA 28 HB3 ALA 28 68.363 8.938 0.958 243 2HB ALA 28 HB2 ALA 28 69.372 8.359 -0.368 244 3HB ALA 28 HB1 ALA 28 68.015 7.385 0.199 245 H MET 29 HN MET 29 70.178 9.154 3.234 246 HA MET 29 HA MET 29 72.247 10.686 2.160 247 1HB MET 29 HB2 MET 29 71.009 10.904 4.342 248 2HB MET 29 HB1 MET 29 72.038 9.622 4.982 249 1HG MET 29 HG2 MET 29 73.849 10.988 5.170 250 2HG MET 29 HG1 MET 29 73.494 11.821 3.656 251 1HE MET 29 HE2 MET 29 74.503 13.713 4.853 252 2HE MET 29 HE1 MET 29 73.681 14.792 5.976 253 3HE MET 29 HE3 MET 29 74.463 13.319 6.569 254 H LYS 30 HN LYS 30 72.416 7.688 3.988 255 HA LYS 30 HA LYS 30 75.192 7.200 4.089 256 1HB LYS 30 HB2 LYS 30 72.625 5.873 4.362 257 2HB LYS 30 HB1 LYS 30 73.809 4.790 3.629 258 1HG LYS 30 HG2 LYS 30 74.177 4.429 5.912 259 2HG LYS 30 HG1 LYS 30 75.405 5.631 5.514 260 1HD LYS 30 HD2 LYS 30 73.328 7.268 6.111 261 2HD LYS 30 HD1 LYS 30 72.960 5.907 7.171 262 1HE LYS 30 HE2 LYS 30 75.810 6.647 7.191 263 2HE LYS 30 HE1 LYS 30 74.736 7.924 7.794 264 1HZ LYS 30 HZ1 LYS 30 74.102 5.202 8.604 265 2HZ LYS 30 HZ3 LYS 30 75.499 5.871 9.294 266 3HZ LYS 30 HZ2 LYS 30 74.001 6.649 9.489 267 H TYR 31 HN TYR 31 72.989 7.205 1.449 268 HA TYR 31 HA TYR 31 75.018 5.847 -0.305 269 1HB TYR 31 HB2 TYR 31 72.036 6.011 -0.784 270 2HB TYR 31 HB1 TYR 31 73.191 4.877 -1.487 271 HD1 TYR 31 HD1 TYR 31 74.754 4.073 0.899 272 HD2 TYR 31 HD2 TYR 31 70.525 4.649 0.416 273 HE1 TYR 31 HE1 TYR 31 74.326 2.479 2.749 274 HE2 TYR 31 HE2 TYR 31 70.096 3.056 2.266 275 HH TYR 31 HH TYR 31 71.888 0.895 3.283 276 H HIS 32 HN HIS 32 73.065 8.672 0.206 277 HA HIS 32 HA HIS 32 72.570 9.897 -2.165 278 1HB HIS 32 HB2 HIS 32 73.375 10.646 0.505 279 2HB HIS 32 HB1 HIS 32 74.013 11.805 -0.666 280 HD1 HIS 32 HD1 HIS 32 71.989 13.153 0.865 281 HD2 HIS 32 HD2 HIS 32 70.839 10.601 -2.224 282 HE1 HIS 32 HE1 HIS 32 69.621 13.802 0.244 283 HA PRO 33 HA PRO 33 76.013 10.521 -4.783 284 1HB PRO 33 HB2 PRO 33 75.931 13.247 -5.230 285 2HB PRO 33 HB1 PRO 33 74.814 12.084 -5.974 286 1HG PRO 33 HG2 PRO 33 74.437 13.733 -3.504 287 2HG PRO 33 HG1 PRO 33 73.340 13.513 -4.885 288 1HD PRO 33 HD2 PRO 33 72.929 12.115 -2.689 289 2HD PRO 33 HD1 PRO 33 72.817 11.305 -4.271 290 H ASP 34 HN ASP 34 77.697 12.906 -4.884 291 HA ASP 34 HA ASP 34 79.594 13.819 -3.769 292 1HB ASP 34 HB2 ASP 34 77.580 13.766 -1.898 293 2HB ASP 34 HB1 ASP 34 78.775 12.713 -1.139 294 H ARG 35 HN ARG 35 78.680 10.929 -1.894 295 HA ARG 35 HA ARG 35 81.347 9.733 -2.227 296 1HB ARG 35 HB2 ARG 35 80.486 8.241 -0.561 297 2HB ARG 35 HB1 ARG 35 79.801 9.810 -0.148 298 1HG ARG 35 HG2 ARG 35 77.758 9.164 -1.508 299 2HG ARG 35 HG1 ARG 35 78.432 7.538 -1.627 300 1HD ARG 35 HD2 ARG 35 78.176 8.822 1.087 301 2HD ARG 35 HD1 ARG 35 76.758 8.069 0.333 302 HE ARG 35 HE ARG 35 78.260 6.010 0.042 303 1HH1 ARG 35 HH21 ARG 35 78.029 7.990 2.790 304 2HH1 ARG 35 HH22 ARG 35 79.201 7.113 3.715 305 1HH2 ARG 35 HH11 ARG 35 80.120 5.043 1.093 306 2HH2 ARG 35 HH12 ARG 35 80.386 5.449 2.755 307 H ASN 36 HN ASN 36 78.061 9.486 -3.374 308 HA ASN 36 HA ASN 36 78.505 6.965 -4.856 309 1HB ASN 36 HB2 ASN 36 76.282 8.744 -3.973 310 2HB ASN 36 HB1 ASN 36 76.030 7.872 -5.483 311 1HD2 ASN 36 HD22 ASN 36 75.199 4.930 -3.799 312 2HD2 ASN 36 HD21 ASN 36 74.934 5.978 -5.108 313 H GLN 37 HN GLN 37 78.514 10.385 -5.398 314 HA GLN 37 HA GLN 37 78.925 11.615 -7.348 315 1HB GLN 37 HB2 GLN 37 79.324 8.929 -8.677 316 2HB GLN 37 HB1 GLN 37 80.023 10.471 -9.159 317 1HG GLN 37 HG2 GLN 37 80.637 9.707 -6.382 318 2HG GLN 37 HG1 GLN 37 81.298 8.610 -7.593 319 1HE2 GLN 37 HE22 GLN 37 82.587 12.518 -7.553 320 2HE2 GLN 37 HE21 GLN 37 81.088 12.132 -6.857 321 H GLY 38 HN GLY 38 76.449 11.653 -6.825 322 1HA GLY 38 HA2 GLY 38 74.365 11.997 -7.859 323 2HA GLY 38 HA1 GLY 38 75.084 11.473 -9.382 324 H ASP 39 HN ASP 39 75.913 8.948 -8.943 325 HA ASP 39 HA ASP 39 73.771 7.436 -7.565 326 1HB ASP 39 HB2 ASP 39 74.171 7.508 -10.560 327 2HB ASP 39 HB1 ASP 39 73.221 6.265 -9.745 328 H LYS 40 HN LYS 40 75.030 5.633 -10.103 329 HA LYS 40 HA LYS 40 76.625 3.928 -10.207 330 1HB LYS 40 HB2 LYS 40 77.815 6.054 -8.533 331 2HB LYS 40 HB1 LYS 40 78.653 4.511 -8.592 332 1HG LYS 40 HG2 LYS 40 79.478 5.035 -10.603 333 2HG LYS 40 HG1 LYS 40 77.840 5.210 -11.235 334 1HD LYS 40 HD2 LYS 40 78.263 7.514 -9.691 335 2HD LYS 40 HD1 LYS 40 79.772 7.278 -10.573 336 1HE LYS 40 HE2 LYS 40 78.325 6.952 -12.672 337 2HE LYS 40 HE1 LYS 40 76.986 7.612 -11.710 338 1HZ LYS 40 HZ1 LYS 40 78.446 9.495 -11.130 339 2HZ LYS 40 HZ3 LYS 40 79.622 8.895 -12.195 340 3HZ LYS 40 HZ2 LYS 40 78.119 9.414 -12.795 341 H GLU 41 HN GLU 41 76.923 4.885 -6.820 342 HA GLU 41 HA GLU 41 76.642 2.074 -5.965 343 1HB GLU 41 HB2 GLU 41 77.620 4.640 -4.950 344 2HB GLU 41 HB1 GLU 41 76.723 3.734 -3.729 345 1HG GLU 41 HG2 GLU 41 78.343 2.162 -3.548 346 2HG GLU 41 HG1 GLU 41 78.552 2.058 -5.295 347 H ALA 42 HN ALA 42 74.566 4.705 -6.530 348 HA ALA 42 HA ALA 42 72.576 3.957 -4.481 349 1HB ALA 42 HB3 ALA 42 73.053 6.101 -6.490 350 2HB ALA 42 HB2 ALA 42 71.369 5.773 -6.081 351 3HB ALA 42 HB1 ALA 42 72.510 6.236 -4.819 352 H GLU 43 HN GLU 43 73.252 3.450 -7.893 353 HA GLU 43 HA GLU 43 70.763 2.732 -8.929 354 1HB GLU 43 HB2 GLU 43 72.949 2.802 -10.119 355 2HB GLU 43 HB1 GLU 43 73.430 1.323 -9.287 356 1HG GLU 43 HG2 GLU 43 71.541 0.118 -10.310 357 2HG GLU 43 HG1 GLU 43 71.032 1.595 -11.128 358 H ALA 44 HN ALA 44 72.930 0.736 -6.915 359 HA ALA 44 HA ALA 44 70.962 -1.482 -6.884 360 1HB ALA 44 HB1 ALA 44 73.714 -1.244 -6.690 361 2HB ALA 44 HB3 ALA 44 73.244 -1.483 -5.007 362 3HB ALA 44 HB2 ALA 44 72.798 -2.678 -6.226 363 H LYS 45 HN LYS 45 72.532 0.623 -4.410 364 HA LYS 45 HA LYS 45 70.952 -0.127 -2.232 365 1HB LYS 45 HB2 LYS 45 72.732 1.968 -2.943 366 2HB LYS 45 HB1 LYS 45 71.309 2.719 -2.205 367 1HG LYS 45 HG2 LYS 45 72.080 2.078 -0.192 368 2HG LYS 45 HG1 LYS 45 71.848 0.399 -0.688 369 1HD LYS 45 HD2 LYS 45 74.215 1.384 -1.954 370 2HD LYS 45 HD1 LYS 45 74.312 1.757 -0.232 371 1HE LYS 45 HE2 LYS 45 73.754 -0.621 0.291 372 2HE LYS 45 HE1 LYS 45 73.767 -0.975 -1.447 373 1HZ LYS 45 HZ1 LYS 45 76.034 0.124 -1.451 374 2HZ LYS 45 HZ3 LYS 45 76.007 -0.020 0.239 375 3HZ LYS 45 HZ2 LYS 45 75.944 -1.412 -0.731 376 H PHE 46 HN PHE 46 70.002 1.741 -5.066 377 HA PHE 46 HA PHE 46 67.638 2.941 -3.945 378 1HB PHE 46 HB2 PHE 46 68.848 2.360 -6.567 379 2HB PHE 46 HB1 PHE 46 67.085 2.313 -6.606 380 HD1 PHE 46 HD1 PHE 46 68.804 4.384 -4.113 381 HD2 PHE 46 HD2 PHE 46 66.998 4.343 -8.011 382 HE1 PHE 46 HE1 PHE 46 68.730 6.862 -4.106 383 HE2 PHE 46 HE2 PHE 46 66.927 6.820 -8.004 384 HZ PHE 46 HZ PHE 46 67.792 8.081 -6.052 385 H LYS 47 HN LYS 47 68.454 -0.292 -4.980 386 HA LYS 47 HA LYS 47 65.765 -1.282 -5.009 387 1HB LYS 47 HB2 LYS 47 66.864 -3.318 -5.597 388 2HB LYS 47 HB1 LYS 47 67.964 -2.091 -6.211 389 1HG LYS 47 HG2 LYS 47 69.598 -2.884 -4.919 390 2HG LYS 47 HG1 LYS 47 68.625 -2.634 -3.470 391 1HD LYS 47 HD2 LYS 47 68.495 -4.869 -3.298 392 2HD LYS 47 HD1 LYS 47 67.474 -4.839 -4.737 393 1HE LYS 47 HE2 LYS 47 69.111 -5.708 -6.035 394 2HE LYS 47 HE1 LYS 47 70.324 -4.595 -5.371 395 1HZ LYS 47 HZ2 LYS 47 70.393 -5.930 -3.352 396 2HZ LYS 47 HZ1 LYS 47 69.263 -7.018 -4.007 397 3HZ LYS 47 HZ3 LYS 47 70.803 -6.876 -4.703 398 H GLU 48 HN GLU 48 67.908 -0.267 -2.616 399 HA GLU 48 HA GLU 48 66.965 -2.207 -0.631 400 1HB GLU 48 HB2 GLU 48 68.914 0.104 -0.588 401 2HB GLU 48 HB1 GLU 48 68.480 -0.779 0.871 402 1HG GLU 48 HG2 GLU 48 69.063 -2.799 -0.938 403 2HG GLU 48 HG1 GLU 48 70.267 -1.566 -1.306 404 H ILE 49 HN ILE 49 66.626 1.201 -1.496 405 HA ILE 49 HA ILE 49 64.481 1.423 0.583 406 HB ILE 49 HB ILE 49 65.999 3.523 -0.989 407 1HG1 ILE 49 HG12 ILE 49 66.770 3.850 1.586 408 2HG1 ILE 49 HG11 ILE 49 66.561 2.095 1.541 409 1HG2 ILE 49 HG23 ILE 49 63.640 3.998 -0.093 410 2HG2 ILE 49 HG22 ILE 49 64.369 3.912 1.511 411 3HG2 ILE 49 HG21 ILE 49 64.919 5.125 0.355 412 1HD1 ILE 49 HD11 ILE 49 67.843 3.104 -0.864 413 2HD1 ILE 49 HD13 ILE 49 68.763 3.497 0.587 414 3HD1 ILE 49 HD12 ILE 49 68.361 1.818 0.226 415 H LYS 50 HN LYS 50 65.332 2.297 -2.784 416 HA LYS 50 HA LYS 50 62.699 3.222 -3.372 417 1HB LYS 50 HB2 LYS 50 65.088 3.430 -4.553 418 2HB LYS 50 HB1 LYS 50 64.475 2.065 -5.489 419 1HG LYS 50 HG2 LYS 50 62.788 3.309 -6.461 420 2HG LYS 50 HG1 LYS 50 62.658 4.402 -5.082 421 1HD LYS 50 HD2 LYS 50 63.965 5.884 -6.153 422 2HD LYS 50 HD1 LYS 50 65.276 4.704 -6.150 423 1HE LYS 50 HE2 LYS 50 64.849 5.314 -8.463 424 2HE LYS 50 HE1 LYS 50 64.206 3.677 -8.227 425 1HZ LYS 50 HZ1 LYS 50 62.115 5.030 -7.446 426 2HZ LYS 50 HZ3 LYS 50 62.765 6.219 -8.464 427 3HZ LYS 50 HZ2 LYS 50 62.369 4.690 -9.091 428 H GLU 51 HN GLU 51 64.162 0.020 -3.280 429 HA GLU 51 HA GLU 51 61.888 -1.154 -4.795 430 1HB GLU 51 HB2 GLU 51 63.788 -2.323 -5.321 431 2HB GLU 51 HB1 GLU 51 64.576 -1.801 -3.855 432 1HG GLU 51 HG2 GLU 51 64.333 -4.174 -3.680 433 2HG GLU 51 HG1 GLU 51 63.161 -3.456 -2.579 434 H ALA 52 HN ALA 52 63.237 -1.034 -1.523 435 HA ALA 52 HA ALA 52 61.141 -2.686 -0.318 436 1HB ALA 52 HB1 ALA 52 63.275 -0.828 0.785 437 2HB ALA 52 HB3 ALA 52 62.337 -1.963 1.751 438 3HB ALA 52 HB2 ALA 52 63.453 -2.562 0.526 439 H TYR 53 HN TYR 53 62.030 0.763 -0.297 440 HA TYR 53 HA TYR 53 59.664 1.559 1.179 441 1HB TYR 53 HB2 TYR 53 60.989 3.331 1.513 442 2HB TYR 53 HB1 TYR 53 62.203 2.544 0.539 443 HD1 TYR 53 HD1 TYR 53 61.147 2.763 -2.195 444 HD2 TYR 53 HD2 TYR 53 61.021 5.567 1.048 445 HE1 TYR 53 HE1 TYR 53 61.108 4.630 -3.814 446 HE2 TYR 53 HE2 TYR 53 60.966 7.437 -0.567 447 HH TYR 53 HH TYR 53 61.832 7.213 -3.668 448 H GLU 54 HN GLU 54 59.833 0.367 -1.831 449 HA GLU 54 HA GLU 54 58.329 2.319 -3.367 450 1HB GLU 54 HB2 GLU 54 59.501 0.798 -4.683 451 2HB GLU 54 HB1 GLU 54 59.197 -0.545 -3.584 452 1HG GLU 54 HG2 GLU 54 57.254 -1.107 -4.625 453 2HG GLU 54 HG1 GLU 54 56.764 0.577 -4.819 454 H VAL 55 HN VAL 55 57.535 -0.400 -1.225 455 HA VAL 55 HA VAL 55 54.648 0.227 -1.692 456 HB VAL 55 HB VAL 55 54.578 -1.955 -2.225 457 1HG1 VAL 55 HG13 VAL 55 57.247 -2.250 -0.863 458 2HG1 VAL 55 HG12 VAL 55 56.395 -3.592 -1.626 459 3HG1 VAL 55 HG11 VAL 55 56.912 -2.213 -2.595 460 1HG2 VAL 55 HG21 VAL 55 55.070 -2.278 0.746 461 2HG2 VAL 55 HG23 VAL 55 53.509 -2.170 -0.067 462 3HG2 VAL 55 HG22 VAL 55 54.530 -3.588 -0.304 463 H LEU 56 HN LEU 56 56.893 1.114 0.365 464 HA LEU 56 HA LEU 56 55.691 0.438 2.947 465 1HB LEU 56 HB2 LEU 56 58.016 1.707 1.831 466 2HB LEU 56 HB1 LEU 56 57.321 2.764 3.058 467 HG LEU 56 HG LEU 56 59.000 1.093 3.952 468 1HD1 LEU 56 HD13 LEU 56 57.082 2.153 5.269 469 2HD1 LEU 56 HD12 LEU 56 56.208 0.642 5.023 470 3HD1 LEU 56 HD11 LEU 56 57.724 0.645 5.925 471 1HD2 LEU 56 HD22 LEU 56 57.367 -0.670 2.412 472 2HD2 LEU 56 HD21 LEU 56 58.797 -1.071 3.364 473 3HD2 LEU 56 HD23 LEU 56 57.199 -1.129 4.106 474 H THR 57 HN THR 57 54.674 2.346 0.437 475 HA THR 57 HA THR 57 53.462 4.445 2.195 476 HB THR 57 HB THR 57 54.087 5.822 0.484 477 HG1 THR 57 HG1 THR 57 52.035 5.453 -0.344 478 1HG2 THR 57 HG21 THR 57 55.846 4.101 -0.024 479 2HG2 THR 57 HG23 THR 57 54.735 3.372 -1.183 480 3HG2 THR 57 HG22 THR 57 55.332 5.011 -1.444 481 H ASP 58 HN ASP 58 52.865 1.704 0.188 482 HA ASP 58 HA ASP 58 49.923 2.204 0.156 483 1HB ASP 58 HB2 ASP 58 51.599 1.601 -1.830 484 2HB ASP 58 HB1 ASP 58 51.305 -0.050 -1.264 485 H SER 59 HN SER 59 48.505 0.606 1.030 486 HA SER 59 HA SER 59 49.800 -1.276 2.955 487 1HB SER 59 HB2 SER 59 47.973 -0.851 4.292 488 2HB SER 59 HB1 SER 59 47.903 0.612 3.313 489 HG SER 59 HG SER 59 45.989 -0.100 2.812 490 H GLN 60 HN GLN 60 49.613 -1.929 0.070 491 HA GLN 60 HA GLN 60 47.982 -4.412 0.356 492 1HB GLN 60 HB2 GLN 60 47.567 -3.802 -2.265 493 2HB GLN 60 HB1 GLN 60 46.446 -3.364 -0.983 494 1HG GLN 60 HG2 GLN 60 46.717 -1.219 -1.593 495 2HG GLN 60 HG1 GLN 60 48.374 -1.302 -1.029 496 1HE2 GLN 60 HE22 GLN 60 49.766 -1.257 -4.214 497 2HE2 GLN 60 HE21 GLN 60 50.012 -1.244 -2.538 498 H LYS 61 HN LYS 61 50.492 -2.622 -1.439 499 HA LYS 61 HA LYS 61 51.515 -4.860 -2.903 500 1HB LYS 61 HB2 LYS 61 52.694 -2.290 -1.804 501 2HB LYS 61 HB1 LYS 61 53.631 -3.413 -2.791 502 1HG LYS 61 HG2 LYS 61 52.509 -2.887 -4.704 503 2HG LYS 61 HG1 LYS 61 50.981 -2.652 -3.867 504 1HD LYS 61 HD2 LYS 61 51.693 -0.470 -3.059 505 2HD LYS 61 HD1 LYS 61 53.316 -0.721 -3.700 506 1HE LYS 61 HE2 LYS 61 51.934 -1.118 -5.971 507 2HE LYS 61 HE1 LYS 61 50.803 -0.026 -5.149 508 1HZ LYS 61 HZ2 LYS 61 52.922 1.283 -4.565 509 2HZ LYS 61 HZ1 LYS 61 53.631 0.432 -5.854 510 3HZ LYS 61 HZ3 LYS 61 52.291 1.433 -6.135 511 H ARG 62 HN ARG 62 52.104 -3.456 0.288 512 HA ARG 62 HA ARG 62 54.200 -4.978 1.297 513 1HB ARG 62 HB2 ARG 62 51.557 -4.054 2.461 514 2HB ARG 62 HB1 ARG 62 52.790 -4.817 3.465 515 1HG ARG 62 HG2 ARG 62 53.223 -2.343 1.766 516 2HG ARG 62 HG1 ARG 62 52.951 -2.335 3.506 517 1HD ARG 62 HD2 ARG 62 55.271 -3.715 2.102 518 2HD ARG 62 HD1 ARG 62 55.368 -2.212 3.039 519 HE ARG 62 HE ARG 62 55.335 -4.807 4.202 520 1HH1 ARG 62 HH11 ARG 62 54.902 -1.553 4.848 521 2HH1 ARG 62 HH12 ARG 62 54.043 -1.777 6.334 522 1HH2 ARG 62 HH21 ARG 62 53.711 -5.207 5.928 523 2HH2 ARG 62 HH22 ARG 62 53.346 -3.847 6.935 524 H ALA 63 HN ALA 63 50.733 -5.876 1.471 525 HA ALA 63 HA ALA 63 50.936 -8.474 2.420 526 1HB ALA 63 HB2 ALA 63 49.101 -6.818 0.969 527 2HB ALA 63 HB1 ALA 63 49.099 -8.409 0.209 528 3HB ALA 63 HB3 ALA 63 48.726 -8.250 1.926 529 H ALA 64 HN ALA 64 51.674 -7.264 -0.797 530 HA ALA 64 HA ALA 64 52.293 -9.947 -1.876 531 1HB ALA 64 HB3 ALA 64 52.254 -7.081 -2.830 532 2HB ALA 64 HB2 ALA 64 53.028 -8.325 -3.810 533 3HB ALA 64 HB1 ALA 64 51.310 -8.446 -3.428 534 H TYR 65 HN TYR 65 54.027 -6.878 -1.709 535 HA TYR 65 HA TYR 65 56.636 -7.904 -2.115 536 1HB TYR 65 HB2 TYR 65 55.242 -5.460 -1.618 537 2HB TYR 65 HB1 TYR 65 56.635 -5.514 -0.543 538 HD1 TYR 65 HD2 TYR 65 58.938 -5.879 -1.487 539 HD2 TYR 65 HD1 TYR 65 55.508 -5.218 -3.989 540 HE1 TYR 65 HE2 TYR 65 60.430 -5.357 -3.400 541 HE2 TYR 65 HE1 TYR 65 57.001 -4.698 -5.898 542 HH TYR 65 HH TYR 65 59.563 -3.770 -6.028 543 H ASP 66 HN ASP 66 54.708 -7.578 0.863 544 HA ASP 66 HA ASP 66 56.830 -7.652 2.727 545 1HB ASP 66 HB2 ASP 66 55.137 -8.354 4.295 546 2HB ASP 66 HB1 ASP 66 54.355 -7.283 3.136 547 H GLN 67 HN GLN 67 55.237 -10.281 0.940 548 HA GLN 67 HA GLN 67 57.068 -12.250 2.248 549 1HB GLN 67 HB2 GLN 67 55.475 -13.899 1.426 550 2HB GLN 67 HB1 GLN 67 54.575 -12.595 2.200 551 1HG GLN 67 HG2 GLN 67 54.614 -11.599 -0.276 552 2HG GLN 67 HG1 GLN 67 54.771 -13.305 -0.693 553 1HE2 GLN 67 HE22 GLN 67 51.312 -13.775 -0.294 554 2HE2 GLN 67 HE21 GLN 67 52.727 -14.131 -1.160 555 H TYR 68 HN TYR 68 56.936 -10.311 -0.474 556 HA TYR 68 HA TYR 68 58.133 -12.281 -2.337 557 1HB TYR 68 HB2 TYR 68 56.644 -9.843 -2.462 558 2HB TYR 68 HB1 TYR 68 58.193 -9.569 -3.267 559 HD1 TYR 68 HD1 TYR 68 58.712 -12.411 -4.185 560 HD2 TYR 68 HD2 TYR 68 55.191 -9.957 -4.357 561 HE1 TYR 68 HE1 TYR 68 57.916 -13.691 -6.155 562 HE2 TYR 68 HE2 TYR 68 54.395 -11.236 -6.325 563 HH TYR 68 HH TYR 68 54.741 -13.492 -7.313 564 H GLY 69 HN GLY 69 60.129 -11.200 -3.590 565 1HA GLY 69 HA2 GLY 69 62.001 -9.480 -2.901 566 2HA GLY 69 HA1 GLY 69 62.113 -10.520 -1.480 567 H HIS 70 HN HIS 70 63.241 -10.052 -4.625 568 HA HIS 70 HA HIS 70 64.722 -11.320 -5.955 569 1HB HIS 70 HB2 HIS 70 64.942 -12.352 -3.171 570 2HB HIS 70 HB1 HIS 70 65.649 -13.353 -4.442 571 HD1 HIS 70 HD1 HIS 70 67.898 -12.657 -5.288 572 HD2 HIS 70 HD2 HIS 70 65.994 -9.570 -3.234 573 HE1 HIS 70 HE1 HIS 70 69.577 -10.768 -5.119 574 H ALA 71 HN ALA 71 62.251 -11.865 -6.711 575 HA ALA 71 HA ALA 71 60.817 -13.521 -7.600 576 1HB ALA 71 HB3 ALA 71 63.361 -13.945 -8.375 577 2HB ALA 71 HB2 ALA 71 63.093 -15.450 -7.493 578 3HB ALA 71 HB1 ALA 71 62.050 -15.025 -8.851 579 H ALA 72 HN ALA 72 61.489 -13.417 -4.575 580 HA ALA 72 HA ALA 72 61.609 -15.778 -3.205 581 1HB ALA 72 HB3 ALA 72 61.048 -13.373 -2.453 582 2HB ALA 72 HB2 ALA 72 59.364 -13.812 -2.726 583 3HB ALA 72 HB1 ALA 72 60.321 -14.686 -1.530 584 H PHE 73 HN PHE 73 58.386 -14.545 -4.177 585 HA PHE 73 HA PHE 73 57.408 -17.358 -4.226 586 1HB PHE 73 HB2 PHE 73 56.417 -14.745 -3.478 587 2HB PHE 73 HB1 PHE 73 55.326 -15.492 -4.647 588 HD1 PHE 73 HD2 PHE 73 55.607 -18.353 -4.061 589 HD2 PHE 73 HD1 PHE 73 55.392 -15.005 -1.378 590 HE1 PHE 73 HE2 PHE 73 54.718 -19.836 -2.282 591 HE2 PHE 73 HE1 PHE 73 54.504 -16.486 0.400 592 HZ PHE 73 HZ PHE 73 54.166 -18.902 -0.051 593 H GLU 74 HN GLU 74 59.065 -16.225 -6.433 594 HA GLU 74 HA GLU 74 57.048 -16.485 -8.639 595 1HB GLU 74 HB2 GLU 74 58.425 -14.217 -7.927 596 2HB GLU 74 HB1 GLU 74 59.476 -14.899 -9.169 597 1HG GLU 74 HG2 GLU 74 56.834 -15.193 -10.129 598 2HG GLU 74 HG1 GLU 74 56.947 -13.552 -9.493 599 H GLN 75 HN GLN 75 60.210 -17.326 -7.381 600 HA GLN 75 HA GLN 75 61.689 -19.045 -8.074 601 1HB GLN 75 HB2 GLN 75 59.111 -19.742 -8.891 602 2HB GLN 75 HB1 GLN 75 60.081 -19.920 -10.353 603 1HG GLN 75 HG2 GLN 75 61.409 -21.586 -9.437 604 2HG GLN 75 HG1 GLN 75 61.160 -21.022 -7.785 605 1HE2 GLN 75 HE22 GLN 75 57.785 -22.534 -7.712 606 2HE2 GLN 75 HE21 GLN 75 58.469 -21.011 -7.407 607 H GLY 76 HN GLY 76 60.111 -18.147 -11.155 608 1HA GLY 76 HA2 GLY 76 61.855 -16.284 -12.194 609 2HA GLY 76 HA1 GLY 76 62.702 -17.810 -12.453 610 H GLY 77 HN GLY 77 59.475 -16.356 -12.952 611 1HA GLY 77 HA2 GLY 77 58.790 -16.299 -15.412 612 2HA GLY 77 HA1 GLY 77 59.260 -17.999 -15.442 No H/Q in entry = 612 Start of MODEL 8 1 1H ALA 1 HT3 ALA 1 69.601 -10.276 4.527 2 2H ALA 1 HT2 ALA 1 68.545 -10.214 3.196 3 3H ALA 1 HT1 ALA 1 70.154 -9.692 3.034 4 HA ALA 1 HA ALA 1 69.795 -7.741 4.232 5 1HB ALA 1 HB3 ALA 1 68.602 -8.158 1.952 6 2HB ALA 1 HB2 ALA 1 67.124 -8.210 2.911 7 3HB ALA 1 HB1 ALA 1 68.115 -6.751 2.899 8 H LYS 2 HN LYS 2 69.595 -8.856 6.475 9 HA LYS 2 HA LYS 2 67.238 -9.637 7.735 10 1HB LYS 2 HB2 LYS 2 69.786 -9.177 8.467 11 2HB LYS 2 HB1 LYS 2 69.041 -7.741 9.170 12 1HG LYS 2 HG2 LYS 2 67.647 -8.999 10.583 13 2HG LYS 2 HG1 LYS 2 67.830 -10.462 9.613 14 1HD LYS 2 HD2 LYS 2 69.773 -11.051 10.640 15 2HD LYS 2 HD1 LYS 2 70.354 -9.386 10.706 16 1HE LYS 2 HE2 LYS 2 69.960 -9.740 12.970 17 2HE LYS 2 HE1 LYS 2 68.345 -9.182 12.489 18 1HZ LYS 2 HZ1 LYS 2 68.194 -11.739 11.802 19 2HZ LYS 2 HZ3 LYS 2 69.263 -11.875 13.112 20 3HZ LYS 2 HZ2 LYS 2 67.733 -11.171 13.337 21 H GLN 3 HN GLN 3 66.018 -8.215 9.423 22 HA GLN 3 HA GLN 3 64.529 -6.422 9.816 23 1HB GLN 3 HB2 GLN 3 66.701 -4.955 8.280 24 2HB GLN 3 HB1 GLN 3 65.502 -4.209 9.336 25 1HG GLN 3 HG2 GLN 3 66.457 -5.108 11.276 26 2HG GLN 3 HG1 GLN 3 67.280 -6.393 10.390 27 1HE2 GLN 3 HE22 GLN 3 70.048 -4.329 9.447 28 2HE2 GLN 3 HE21 GLN 3 69.182 -5.729 9.036 29 H ASP 4 HN ASP 4 62.641 -6.196 8.771 30 HA ASP 4 HA ASP 4 62.108 -6.775 6.079 31 1HB ASP 4 HB2 ASP 4 60.511 -6.557 7.978 32 2HB ASP 4 HB1 ASP 4 60.731 -4.808 7.932 33 H TYR 5 HN TYR 5 61.731 -5.362 4.239 34 HA TYR 5 HA TYR 5 63.661 -3.275 3.893 35 1HB TYR 5 HB2 TYR 5 61.461 -2.841 2.104 36 2HB TYR 5 HB1 TYR 5 63.045 -3.517 1.745 37 HD1 TYR 5 HD1 TYR 5 59.573 -4.338 2.769 38 HD2 TYR 5 HD2 TYR 5 63.360 -5.855 1.429 39 HE1 TYR 5 HE1 TYR 5 58.537 -6.544 2.329 40 HE2 TYR 5 HE2 TYR 5 62.327 -8.060 0.993 41 HH TYR 5 HH TYR 5 60.085 -9.284 2.069 42 H TYR 6 HN TYR 6 60.692 -3.239 5.555 43 HA TYR 6 HA TYR 6 60.029 -0.430 5.129 44 1HB TYR 6 HB2 TYR 6 58.611 -2.510 5.872 45 2HB TYR 6 HB1 TYR 6 59.187 -2.077 7.480 46 HD1 TYR 6 HD2 TYR 6 59.333 0.978 6.141 47 HD2 TYR 6 HD1 TYR 6 56.332 -1.974 7.010 48 HE1 TYR 6 HE2 TYR 6 57.619 2.761 6.295 49 HE2 TYR 6 HE1 TYR 6 54.622 -0.187 7.163 50 HH TYR 6 HH TYR 6 55.202 3.011 6.103 51 H GLU 7 HN GLU 7 62.048 -2.295 7.251 52 HA GLU 7 HA GLU 7 62.514 -0.035 9.087 53 1HB GLU 7 HB2 GLU 7 63.069 -2.932 8.874 54 2HB GLU 7 HB1 GLU 7 64.350 -2.001 9.652 55 1HG GLU 7 HG2 GLU 7 62.380 -0.919 11.003 56 2HG GLU 7 HG1 GLU 7 61.489 -2.358 10.508 57 H ILE 8 HN ILE 8 63.778 -1.414 6.195 58 HA ILE 8 HA ILE 8 66.520 -0.726 6.282 59 HB ILE 8 HB ILE 8 64.423 -1.443 4.363 60 1HG1 ILE 8 HG12 ILE 8 66.226 -2.836 3.466 61 2HG1 ILE 8 HG11 ILE 8 67.411 -1.950 4.426 62 1HG2 ILE 8 HG21 ILE 8 66.560 0.509 3.550 63 2HG2 ILE 8 HG23 ILE 8 66.036 -0.735 2.415 64 3HG2 ILE 8 HG22 ILE 8 64.872 0.429 3.044 65 1HD1 ILE 8 HD12 ILE 8 65.600 -2.671 6.348 66 2HD1 ILE 8 HD11 ILE 8 65.513 -4.052 5.255 67 3HD1 ILE 8 HD13 ILE 8 67.058 -3.587 5.967 68 H LEU 9 HN LEU 9 63.675 1.275 5.476 69 HA LEU 9 HA LEU 9 65.355 3.575 4.730 70 1HB LEU 9 HB2 LEU 9 62.380 3.312 5.232 71 2HB LEU 9 HB1 LEU 9 63.174 4.613 4.348 72 HG LEU 9 HG LEU 9 63.874 1.954 3.345 73 1HD1 LEU 9 HD11 LEU 9 60.990 2.873 3.359 74 2HD1 LEU 9 HD13 LEU 9 61.617 1.683 2.216 75 3HD1 LEU 9 HD12 LEU 9 61.630 1.339 3.947 76 1HD2 LEU 9 HD23 LEU 9 64.358 4.108 2.211 77 2HD2 LEU 9 HD22 LEU 9 63.365 3.052 1.208 78 3HD2 LEU 9 HD21 LEU 9 62.625 4.404 2.062 79 H GLY 10 HN GLY 10 65.225 2.313 7.596 80 1HA GLY 10 HA2 GLY 10 65.345 3.131 9.789 81 2HA GLY 10 HA1 GLY 10 65.659 4.708 9.062 82 H VAL 11 HN VAL 11 62.735 2.913 8.361 83 HA VAL 11 HA VAL 11 61.137 5.132 9.522 84 HB VAL 11 HB VAL 11 60.229 2.688 7.983 85 1HG1 VAL 11 HG11 VAL 11 59.086 5.399 8.618 86 2HG1 VAL 11 HG13 VAL 11 58.504 4.471 7.236 87 3HG1 VAL 11 HG12 VAL 11 58.361 3.809 8.864 88 1HG2 VAL 11 HG21 VAL 11 62.102 4.225 6.919 89 2HG2 VAL 11 HG23 VAL 11 60.720 3.702 5.960 90 3HG2 VAL 11 HG22 VAL 11 60.747 5.323 6.655 91 H SER 12 HN SER 12 59.003 4.336 10.562 92 HA SER 12 HA SER 12 59.671 2.430 12.706 93 1HB SER 12 HB2 SER 12 57.020 3.767 12.393 94 2HB SER 12 HB1 SER 12 57.960 3.502 13.859 95 HG SER 12 HG SER 12 57.863 5.722 12.950 96 H LYS 13 HN LYS 13 58.900 1.944 9.686 97 HA LYS 13 HA LYS 13 57.499 0.544 8.456 98 1HB LYS 13 HB2 LYS 13 58.091 -1.622 8.913 99 2HB LYS 13 HB1 LYS 13 59.241 -0.796 9.962 100 1HG LYS 13 HG2 LYS 13 57.516 -0.978 11.824 101 2HG LYS 13 HG1 LYS 13 56.582 -2.024 10.755 102 1HD LYS 13 HD2 LYS 13 59.178 -3.053 10.632 103 2HD LYS 13 HD1 LYS 13 58.950 -2.646 12.332 104 1HE LYS 13 HE2 LYS 13 56.791 -3.914 12.314 105 2HE LYS 13 HE1 LYS 13 57.136 -4.407 10.645 106 1HZ LYS 13 HZ2 LYS 13 59.467 -4.815 12.098 107 2HZ LYS 13 HZ1 LYS 13 58.210 -5.450 13.049 108 3HZ LYS 13 HZ3 LYS 13 58.432 -6.001 11.460 109 H THR 14 HN THR 14 56.237 2.256 10.511 110 HA THR 14 HA THR 14 53.560 0.993 10.428 111 HB THR 14 HB THR 14 53.309 1.796 12.859 112 HG1 THR 14 HG1 THR 14 56.134 1.749 12.733 113 1HG2 THR 14 HG21 THR 14 55.143 -0.449 12.033 114 2HG2 THR 14 HG23 THR 14 54.735 -0.178 13.727 115 3HG2 THR 14 HG22 THR 14 53.463 -0.540 12.561 116 H ALA 15 HN ALA 15 55.441 3.418 9.488 117 HA ALA 15 HA ALA 15 53.860 5.761 10.284 118 1HB ALA 15 HB1 ALA 15 56.490 5.245 9.649 119 2HB ALA 15 HB3 ALA 15 55.888 5.912 8.132 120 3HB ALA 15 HB2 ALA 15 55.768 6.853 9.618 121 H GLU 16 HN GLU 16 54.353 7.034 7.730 122 HA GLU 16 HA GLU 16 52.646 5.561 5.801 123 1HB GLU 16 HB2 GLU 16 52.127 8.353 6.903 124 2HB GLU 16 HB1 GLU 16 51.205 7.590 5.603 125 1HG GLU 16 HG2 GLU 16 49.846 6.854 7.261 126 2HG GLU 16 HG1 GLU 16 51.114 5.670 7.570 127 H GLU 17 HN GLU 17 52.512 8.442 4.595 128 HA GLU 17 HA GLU 17 55.056 8.218 3.106 129 1HB GLU 17 HB2 GLU 17 53.874 10.147 1.800 130 2HB GLU 17 HB1 GLU 17 53.213 8.519 1.678 131 1HG GLU 17 HG2 GLU 17 51.538 10.416 2.115 132 2HG GLU 17 HG1 GLU 17 51.437 9.012 3.177 133 H ARG 18 HN ARG 18 54.092 9.737 5.907 134 HA ARG 18 HA ARG 18 55.296 12.352 5.450 135 1HB ARG 18 HB2 ARG 18 54.366 12.825 7.501 136 2HB ARG 18 HB1 ARG 18 53.453 11.362 7.154 137 1HG ARG 18 HG2 ARG 18 56.083 11.247 8.644 138 2HG ARG 18 HG1 ARG 18 54.565 11.555 9.478 139 1HD ARG 18 HD2 ARG 18 54.063 9.354 7.768 140 2HD ARG 18 HD1 ARG 18 55.611 9.026 8.572 141 HE ARG 18 HE ARG 18 53.089 8.974 9.890 142 1HH1 ARG 18 HH21 ARG 18 53.272 11.107 11.487 143 2HH1 ARG 18 HH22 ARG 18 54.534 10.832 12.643 144 1HH2 ARG 18 HH11 ARG 18 55.994 8.259 10.836 145 2HH2 ARG 18 HH12 ARG 18 56.071 9.218 12.277 146 H GLU 19 HN GLU 19 56.393 9.303 6.918 147 HA GLU 19 HA GLU 19 59.022 10.577 7.493 148 1HB GLU 19 HB2 GLU 19 57.428 8.564 8.702 149 2HB GLU 19 HB1 GLU 19 58.889 7.771 8.103 150 1HG GLU 19 HG2 GLU 19 60.231 8.855 9.567 151 2HG GLU 19 HG1 GLU 19 59.373 10.380 9.357 152 H ILE 20 HN ILE 20 57.451 8.205 5.451 153 HA ILE 20 HA ILE 20 59.809 7.033 4.375 154 HB ILE 20 HB ILE 20 56.960 7.005 4.012 155 1HG1 ILE 20 HG12 ILE 20 57.393 4.762 3.296 156 2HG1 ILE 20 HG11 ILE 20 59.039 5.171 2.811 157 1HG2 ILE 20 HG22 ILE 20 58.577 7.312 1.470 158 2HG2 ILE 20 HG21 ILE 20 57.029 6.468 1.504 159 3HG2 ILE 20 HG23 ILE 20 57.111 8.177 1.935 160 1HD1 ILE 20 HD13 ILE 20 58.488 5.838 5.608 161 2HD1 ILE 20 HD12 ILE 20 58.312 4.120 5.267 162 3HD1 ILE 20 HD11 ILE 20 59.831 4.936 4.912 163 H ARG 21 HN ARG 21 58.499 10.191 4.104 164 HA ARG 21 HA ARG 21 59.728 10.731 1.489 165 1HB ARG 21 HB2 ARG 21 58.526 12.754 1.614 166 2HB ARG 21 HB1 ARG 21 57.520 11.668 2.570 167 1HG ARG 21 HG2 ARG 21 58.784 12.465 4.620 168 2HG ARG 21 HG1 ARG 21 59.518 13.700 3.596 169 1HD ARG 21 HD2 ARG 21 56.598 13.562 3.297 170 2HD ARG 21 HD1 ARG 21 57.120 13.999 4.937 171 HE ARG 21 HE ARG 21 58.660 15.692 3.735 172 1HH1 ARG 21 HH11 ARG 21 57.438 14.689 1.052 173 2HH1 ARG 21 HH12 ARG 21 56.374 16.008 0.695 174 1HH2 ARG 21 HH21 ARG 21 56.522 17.336 3.895 175 2HH2 ARG 21 HH22 ARG 21 55.858 17.509 2.305 176 H LYS 22 HN LYS 22 60.330 11.492 4.886 177 HA LYS 22 HA LYS 22 62.785 12.951 4.196 178 1HB LYS 22 HB2 LYS 22 62.873 13.173 6.721 179 2HB LYS 22 HB1 LYS 22 61.422 13.854 5.982 180 1HG LYS 22 HG2 LYS 22 60.067 12.176 6.760 181 2HG LYS 22 HG1 LYS 22 61.371 10.990 6.775 182 1HD LYS 22 HD2 LYS 22 61.051 13.291 8.726 183 2HD LYS 22 HD1 LYS 22 60.750 11.591 9.082 184 1HE LYS 22 HE2 LYS 22 63.279 11.433 8.076 185 2HE LYS 22 HE1 LYS 22 63.329 13.027 8.852 186 1HZ LYS 22 HZ2 LYS 22 61.919 11.536 10.616 187 2HZ LYS 22 HZ1 LYS 22 63.068 10.419 10.052 188 3HZ LYS 22 HZ3 LYS 22 63.578 11.879 10.745 189 H ALA 23 HN ALA 23 61.580 9.886 5.289 190 HA ALA 23 HA ALA 23 64.148 8.822 6.202 191 1HB ALA 23 HB2 ALA 23 61.536 7.544 5.312 192 2HB ALA 23 HB1 ALA 23 62.848 6.678 6.112 193 3HB ALA 23 HB3 ALA 23 61.981 7.953 6.970 194 H TYR 24 HN TYR 24 62.132 8.364 3.281 195 HA TYR 24 HA TYR 24 63.846 6.735 1.765 196 1HB TYR 24 HB2 TYR 24 61.636 7.268 1.011 197 2HB TYR 24 HB1 TYR 24 61.956 8.999 1.078 198 HD1 TYR 24 HD1 TYR 24 63.684 9.985 -0.521 199 HD2 TYR 24 HD2 TYR 24 62.093 6.020 -0.951 200 HE1 TYR 24 HE1 TYR 24 64.432 9.943 -2.884 201 HE2 TYR 24 HE2 TYR 24 62.843 5.975 -3.312 202 HH TYR 24 HH TYR 24 63.405 8.295 -5.110 203 H LYS 25 HN LYS 25 63.871 10.254 2.229 204 HA LYS 25 HA LYS 25 66.215 10.614 0.481 205 1HB LYS 25 HB2 LYS 25 64.153 12.155 0.849 206 2HB LYS 25 HB1 LYS 25 64.965 12.639 2.338 207 1HG LYS 25 HG2 LYS 25 66.586 13.801 1.231 208 2HG LYS 25 HG1 LYS 25 66.672 12.626 -0.081 209 1HD LYS 25 HD2 LYS 25 64.849 13.574 -1.220 210 2HD LYS 25 HD1 LYS 25 64.257 14.398 0.223 211 1HE LYS 25 HE2 LYS 25 66.499 15.717 0.138 212 2HE LYS 25 HE1 LYS 25 66.590 15.145 -1.541 213 1HZ LYS 25 HZ1 LYS 25 64.058 16.240 -0.522 214 2HZ LYS 25 HZ3 LYS 25 65.284 17.313 -0.993 215 3HZ LYS 25 HZ2 LYS 25 64.652 16.204 -2.114 216 H ARG 26 HN ARG 26 65.442 10.691 3.979 217 HA ARG 26 HA ARG 26 68.100 11.566 4.772 218 1HB ARG 26 HB2 ARG 26 66.177 11.885 6.202 219 2HB ARG 26 HB1 ARG 26 65.845 10.153 6.218 220 1HG ARG 26 HG2 ARG 26 67.342 9.789 7.865 221 2HG ARG 26 HG1 ARG 26 68.580 10.733 7.036 222 1HD ARG 26 HD2 ARG 26 66.910 12.731 7.850 223 2HD ARG 26 HD1 ARG 26 66.704 11.565 9.173 224 HE ARG 26 HE ARG 26 69.493 11.919 8.374 225 1HH1 ARG 26 HH11 ARG 26 67.925 11.493 11.104 226 2HH1 ARG 26 HH12 ARG 26 68.471 12.904 11.949 227 1HH2 ARG 26 HH21 ARG 26 69.759 14.427 9.111 228 2HH2 ARG 26 HH22 ARG 26 69.514 14.564 10.819 229 H LEU 27 HN LEU 27 66.723 8.387 4.063 230 HA LEU 27 HA LEU 27 68.977 6.988 5.356 231 1HB LEU 27 HB2 LEU 27 66.322 6.417 4.499 232 2HB LEU 27 HB1 LEU 27 67.408 5.328 3.635 233 HG LEU 27 HG LEU 27 66.682 4.390 5.828 234 1HD1 LEU 27 HD13 LEU 27 69.384 4.739 4.864 235 2HD1 LEU 27 HD12 LEU 27 69.385 4.647 6.625 236 3HD1 LEU 27 HD11 LEU 27 68.671 3.344 5.676 237 1HD2 LEU 27 HD22 LEU 27 66.702 6.830 6.818 238 2HD2 LEU 27 HD21 LEU 27 67.118 5.469 7.859 239 3HD2 LEU 27 HD23 LEU 27 68.392 6.471 7.167 240 H ALA 28 HN ALA 28 68.077 8.037 2.109 241 HA ALA 28 HA ALA 28 69.952 6.291 0.737 242 1HB ALA 28 HB1 ALA 28 67.858 7.909 0.051 243 2HB ALA 28 HB3 ALA 28 69.239 8.867 -0.482 244 3HB ALA 28 HB2 ALA 28 69.013 7.230 -1.097 245 H MET 29 HN MET 29 70.117 9.409 2.311 246 HA MET 29 HA MET 29 72.353 10.624 1.167 247 1HB MET 29 HB2 MET 29 70.904 11.217 3.205 248 2HB MET 29 HB1 MET 29 71.997 10.183 4.126 249 1HG MET 29 HG2 MET 29 73.783 11.616 3.895 250 2HG MET 29 HG1 MET 29 73.221 12.233 2.342 251 1HE MET 29 HE3 MET 29 74.199 13.116 5.429 252 2HE MET 29 HE2 MET 29 74.304 14.464 4.300 253 3HE MET 29 HE1 MET 29 73.394 14.648 5.797 254 H LYS 30 HN LYS 30 72.224 8.092 3.604 255 HA LYS 30 HA LYS 30 74.926 7.535 4.083 256 1HB LYS 30 HB2 LYS 30 72.285 6.339 4.267 257 2HB LYS 30 HB1 LYS 30 73.508 5.114 3.913 258 1HG LYS 30 HG2 LYS 30 73.692 5.164 6.217 259 2HG LYS 30 HG1 LYS 30 74.861 6.416 5.799 260 1HD LYS 30 HD2 LYS 30 73.513 7.418 7.471 261 2HD LYS 30 HD1 LYS 30 72.879 8.063 5.956 262 1HE LYS 30 HE2 LYS 30 71.190 6.133 5.998 263 2HE LYS 30 HE1 LYS 30 71.694 5.873 7.681 264 1HZ LYS 30 HZ1 LYS 30 71.207 8.632 6.915 265 2HZ LYS 30 HZ3 LYS 30 69.828 7.647 6.973 266 3HZ LYS 30 HZ2 LYS 30 70.807 7.818 8.351 267 H TYR 31 HN TYR 31 73.034 7.097 1.237 268 HA TYR 31 HA TYR 31 75.186 5.400 0.011 269 1HB TYR 31 HB2 TYR 31 72.259 5.538 -0.766 270 2HB TYR 31 HB1 TYR 31 73.434 4.284 -1.185 271 HD1 TYR 31 HD1 TYR 31 74.808 3.738 1.309 272 HD2 TYR 31 HD2 TYR 31 70.647 4.562 0.634 273 HE1 TYR 31 HE1 TYR 31 74.227 2.492 3.373 274 HE2 TYR 31 HE2 TYR 31 70.066 3.315 2.699 275 HH TYR 31 HH TYR 31 71.741 1.195 4.096 276 H HIS 32 HN HIS 32 73.184 8.245 -0.270 277 HA HIS 32 HA HIS 32 73.030 9.099 -2.815 278 1HB HIS 32 HB2 HIS 32 73.799 10.284 -0.233 279 2HB HIS 32 HB1 HIS 32 74.263 11.259 -1.630 280 HD1 HIS 32 HD1 HIS 32 72.414 13.032 -1.211 281 HD2 HIS 32 HD2 HIS 32 70.934 9.173 -1.749 282 HE1 HIS 32 HE1 HIS 32 69.910 13.262 -1.514 283 HA PRO 33 HA PRO 33 76.771 8.937 -5.065 284 1HB PRO 33 HB2 PRO 33 76.690 11.362 -6.376 285 2HB PRO 33 HB1 PRO 33 75.700 9.957 -6.822 286 1HG PRO 33 HG2 PRO 33 74.980 12.292 -5.095 287 2HG PRO 33 HG1 PRO 33 74.069 11.561 -6.433 288 1HD PRO 33 HD2 PRO 33 73.431 10.949 -3.944 289 2HD PRO 33 HD1 PRO 33 73.502 9.666 -5.177 290 H ASP 34 HN ASP 34 78.418 11.195 -5.769 291 HA ASP 34 HA ASP 34 80.183 12.496 -4.855 292 1HB ASP 34 HB2 ASP 34 77.924 12.915 -3.227 293 2HB ASP 34 HB1 ASP 34 79.204 12.479 -2.095 294 H ARG 35 HN ARG 35 79.067 10.501 -2.119 295 HA ARG 35 HA ARG 35 81.716 9.334 -1.711 296 1HB ARG 35 HB2 ARG 35 80.604 8.355 0.166 297 2HB ARG 35 HB1 ARG 35 79.817 9.918 -0.024 298 1HG ARG 35 HG2 ARG 35 77.992 8.866 -1.284 299 2HG ARG 35 HG1 ARG 35 78.778 7.294 -1.150 300 1HD ARG 35 HD2 ARG 35 76.975 7.609 0.566 301 2HD ARG 35 HD1 ARG 35 78.570 7.389 1.312 302 HE ARG 35 HE ARG 35 77.600 10.151 0.751 303 1HH1 ARG 35 HH11 ARG 35 80.134 9.726 2.241 304 2HH1 ARG 35 HH12 ARG 35 79.627 9.860 3.892 305 1HH2 ARG 35 HH21 ARG 35 76.262 9.436 3.168 306 2HH2 ARG 35 HH22 ARG 35 77.433 9.699 4.417 307 H ASN 36 HN ASN 36 78.731 8.712 -3.364 308 HA ASN 36 HA ASN 36 79.466 5.938 -4.081 309 1HB ASN 36 HB2 ASN 36 77.035 7.640 -3.759 310 2HB ASN 36 HB1 ASN 36 76.981 6.519 -5.110 311 1HD2 ASN 36 HD22 ASN 36 76.077 3.900 -2.969 312 2HD2 ASN 36 HD21 ASN 36 75.851 4.696 -4.450 313 H GLN 37 HN GLN 37 77.867 6.205 -6.526 314 HA GLN 37 HA GLN 37 79.142 8.231 -8.207 315 1HB GLN 37 HB2 GLN 37 79.765 5.273 -8.399 316 2HB GLN 37 HB1 GLN 37 80.171 6.435 -9.663 317 1HG GLN 37 HG2 GLN 37 81.373 7.768 -7.828 318 2HG GLN 37 HG1 GLN 37 81.220 6.321 -6.833 319 1HE2 GLN 37 HE22 GLN 37 83.125 4.621 -9.729 320 2HE2 GLN 37 HE21 GLN 37 81.463 4.615 -9.388 321 H GLY 38 HN GLY 38 76.641 8.411 -8.029 322 1HA GLY 38 HA2 GLY 38 74.701 8.401 -9.396 323 2HA GLY 38 HA1 GLY 38 75.512 7.264 -10.483 324 H ASP 39 HN ASP 39 76.222 5.215 -8.895 325 HA ASP 39 HA ASP 39 73.944 4.384 -7.209 326 1HB ASP 39 HB2 ASP 39 74.688 3.124 -9.862 327 2HB ASP 39 HB1 ASP 39 73.671 2.319 -8.666 328 H LYS 40 HN LYS 40 75.873 1.992 -8.796 329 HA LYS 40 HA LYS 40 77.521 0.553 -7.988 330 1HB LYS 40 HB2 LYS 40 78.161 3.126 -6.613 331 2HB LYS 40 HB1 LYS 40 79.237 1.741 -6.547 332 1HG LYS 40 HG2 LYS 40 78.333 3.235 -9.028 333 2HG LYS 40 HG1 LYS 40 79.958 3.212 -8.349 334 1HD LYS 40 HD2 LYS 40 80.406 1.421 -9.632 335 2HD LYS 40 HD1 LYS 40 79.228 0.506 -8.689 336 1HE LYS 40 HE2 LYS 40 77.420 1.259 -10.196 337 2HE LYS 40 HE1 LYS 40 78.600 2.184 -11.146 338 1HZ LYS 40 HZ1 LYS 40 79.851 -0.121 -11.058 339 2HZ LYS 40 HZ3 LYS 40 78.269 -0.714 -10.911 340 3HZ LYS 40 HZ2 LYS 40 78.703 0.220 -12.264 341 H GLU 41 HN GLU 41 76.944 2.513 -5.087 342 HA GLU 41 HA GLU 41 76.346 -0.006 -3.594 343 1HB GLU 41 HB2 GLU 41 77.475 2.685 -3.030 344 2HB GLU 41 HB1 GLU 41 76.445 2.023 -1.760 345 1HG GLU 41 HG2 GLU 41 78.277 0.882 -1.080 346 2HG GLU 41 HG1 GLU 41 78.008 -0.147 -2.487 347 H ALA 42 HN ALA 42 74.944 2.800 -4.977 348 HA ALA 42 HA ALA 42 72.495 2.715 -3.338 349 1HB ALA 42 HB2 ALA 42 73.886 4.532 -5.086 350 2HB ALA 42 HB1 ALA 42 72.252 4.296 -5.705 351 3HB ALA 42 HB3 ALA 42 72.496 4.867 -4.055 352 H GLU 43 HN GLU 43 73.838 1.146 -6.078 353 HA GLU 43 HA GLU 43 71.594 0.763 -7.763 354 1HB GLU 43 HB2 GLU 43 73.994 0.122 -8.143 355 2HB GLU 43 HB1 GLU 43 73.775 -1.207 -7.005 356 1HG GLU 43 HG2 GLU 43 71.932 -2.088 -8.436 357 2HG GLU 43 HG1 GLU 43 72.259 -0.805 -9.600 358 H ALA 44 HN ALA 44 72.700 -1.268 -5.014 359 HA ALA 44 HA ALA 44 70.160 -2.789 -5.074 360 1HB ALA 44 HB3 ALA 44 72.857 -2.947 -3.801 361 2HB ALA 44 HB2 ALA 44 71.525 -3.693 -2.917 362 3HB ALA 44 HB1 ALA 44 71.900 -4.221 -4.557 363 H LYS 45 HN LYS 45 71.528 -0.043 -3.448 364 HA LYS 45 HA LYS 45 69.679 -0.285 -1.161 365 1HB LYS 45 HB2 LYS 45 72.141 1.015 -1.756 366 2HB LYS 45 HB1 LYS 45 70.961 2.271 -1.352 367 1HG LYS 45 HG2 LYS 45 71.102 1.714 0.816 368 2HG LYS 45 HG1 LYS 45 70.574 0.076 0.433 369 1HD LYS 45 HD2 LYS 45 73.329 0.501 -0.372 370 2HD LYS 45 HD1 LYS 45 73.109 0.832 1.347 371 1HE LYS 45 HE2 LYS 45 71.666 -1.439 1.186 372 2HE LYS 45 HE1 LYS 45 72.815 -1.740 -0.133 373 1HZ LYS 45 HZ3 LYS 45 74.561 -0.896 1.500 374 2HZ LYS 45 HZ2 LYS 45 73.392 -1.150 2.708 375 3HZ LYS 45 HZ1 LYS 45 73.943 -2.453 1.767 376 H PHE 46 HN PHE 46 70.055 1.625 -4.140 377 HA PHE 46 HA PHE 46 67.964 3.510 -3.707 378 1HB PHE 46 HB2 PHE 46 69.626 3.477 -5.594 379 2HB PHE 46 HB1 PHE 46 68.789 2.077 -6.265 380 HD1 PHE 46 HD1 PHE 46 67.440 5.187 -4.669 381 HD2 PHE 46 HD2 PHE 46 67.736 2.802 -8.230 382 HE1 PHE 46 HE1 PHE 46 65.833 6.691 -5.812 383 HE2 PHE 46 HE2 PHE 46 66.130 4.306 -9.372 384 HZ PHE 46 HZ PHE 46 65.178 6.251 -8.163 385 H LYS 47 HN LYS 47 67.957 0.126 -4.644 386 HA LYS 47 HA LYS 47 65.123 0.028 -5.174 387 1HB LYS 47 HB2 LYS 47 65.692 -2.115 -5.858 388 2HB LYS 47 HB1 LYS 47 67.341 -1.525 -5.731 389 1HG LYS 47 HG2 LYS 47 67.771 -2.748 -3.861 390 2HG LYS 47 HG1 LYS 47 66.130 -2.609 -3.237 391 1HD LYS 47 HD2 LYS 47 65.850 -4.726 -3.965 392 2HD LYS 47 HD1 LYS 47 65.758 -4.010 -5.574 393 1HE LYS 47 HE2 LYS 47 68.046 -4.463 -6.032 394 2HE LYS 47 HE1 LYS 47 68.405 -4.783 -4.323 395 1HZ LYS 47 HZ2 LYS 47 66.365 -6.336 -5.800 396 2HZ LYS 47 HZ1 LYS 47 68.001 -6.796 -5.810 397 3HZ LYS 47 HZ3 LYS 47 67.148 -6.736 -4.346 398 H GLU 48 HN GLU 48 67.380 -0.787 -2.544 399 HA GLU 48 HA GLU 48 65.455 -1.567 -0.623 400 1HB GLU 48 HB2 GLU 48 68.050 -0.010 -0.327 401 2HB GLU 48 HB1 GLU 48 67.219 -0.826 0.995 402 1HG GLU 48 HG2 GLU 48 67.749 -2.499 -1.390 403 2HG GLU 48 HG1 GLU 48 69.178 -1.993 -0.486 404 H ILE 49 HN ILE 49 66.113 1.464 -2.150 405 HA ILE 49 HA ILE 49 64.694 2.977 -0.055 406 HB ILE 49 HB ILE 49 65.945 3.742 -2.710 407 1HG1 ILE 49 HG12 ILE 49 67.879 3.496 -1.539 408 2HG1 ILE 49 HG11 ILE 49 67.396 4.975 -0.714 409 1HG2 ILE 49 HG22 ILE 49 64.068 5.097 -1.158 410 2HG2 ILE 49 HG21 ILE 49 65.610 5.854 -0.758 411 3HG2 ILE 49 HG23 ILE 49 65.072 5.782 -2.436 412 1HD1 ILE 49 HD11 ILE 49 66.141 3.503 0.933 413 2HD1 ILE 49 HD13 ILE 49 66.960 2.128 0.195 414 3HD1 ILE 49 HD12 ILE 49 67.898 3.384 0.995 415 H LYS 50 HN LYS 50 64.435 2.838 -3.619 416 HA LYS 50 HA LYS 50 61.594 3.528 -3.370 417 1HB LYS 50 HB2 LYS 50 63.136 4.529 -5.062 418 2HB LYS 50 HB1 LYS 50 63.325 2.937 -5.800 419 1HG LYS 50 HG2 LYS 50 61.072 2.865 -6.509 420 2HG LYS 50 HG1 LYS 50 60.593 4.153 -5.403 421 1HD LYS 50 HD2 LYS 50 62.403 5.520 -6.827 422 2HD LYS 50 HD1 LYS 50 61.947 4.339 -8.055 423 1HE LYS 50 HE2 LYS 50 60.268 5.860 -8.478 424 2HE LYS 50 HE1 LYS 50 59.483 5.044 -7.111 425 1HZ LYS 50 HZ3 LYS 50 61.191 6.740 -5.887 426 2HZ LYS 50 HZ2 LYS 50 60.702 7.659 -7.231 427 3HZ LYS 50 HZ1 LYS 50 59.545 7.052 -6.145 428 H GLU 51 HN GLU 51 63.499 0.622 -3.727 429 HA GLU 51 HA GLU 51 61.270 -0.917 -4.912 430 1HB GLU 51 HB2 GLU 51 63.838 -1.163 -5.296 431 2HB GLU 51 HB1 GLU 51 63.856 -1.956 -3.725 432 1HG GLU 51 HG2 GLU 51 63.661 -3.537 -5.611 433 2HG GLU 51 HG1 GLU 51 62.308 -3.623 -4.482 434 H ALA 52 HN ALA 52 62.794 -0.216 -1.849 435 HA ALA 52 HA ALA 52 61.286 -2.279 -0.367 436 1HB ALA 52 HB3 ALA 52 63.697 -1.114 -0.098 437 2HB ALA 52 HB2 ALA 52 62.747 -0.012 0.897 438 3HB ALA 52 HB1 ALA 52 62.802 -1.724 1.288 439 H TYR 53 HN TYR 53 61.618 1.242 -0.290 440 HA TYR 53 HA TYR 53 59.264 1.647 1.341 441 1HB TYR 53 HB2 TYR 53 60.456 3.506 1.711 442 2HB TYR 53 HB1 TYR 53 61.639 2.917 0.568 443 HD1 TYR 53 HD1 TYR 53 60.414 3.228 -2.022 444 HD2 TYR 53 HD2 TYR 53 60.147 5.752 1.432 445 HE1 TYR 53 HE1 TYR 53 60.037 5.188 -3.484 446 HE2 TYR 53 HE2 TYR 53 59.751 7.711 -0.019 447 HH TYR 53 HH TYR 53 60.435 7.830 -3.172 448 H GLU 54 HN GLU 54 59.266 0.602 -1.721 449 HA GLU 54 HA GLU 54 57.431 2.537 -2.945 450 1HB GLU 54 HB2 GLU 54 58.530 1.453 -4.631 451 2HB GLU 54 HB1 GLU 54 58.875 0.046 -3.628 452 1HG GLU 54 HG2 GLU 54 56.811 -0.966 -4.125 453 2HG GLU 54 HG1 GLU 54 56.079 0.558 -4.631 454 H VAL 55 HN VAL 55 57.219 -0.422 -1.030 455 HA VAL 55 HA VAL 55 54.246 -0.376 -1.392 456 HB VAL 55 HB VAL 55 54.420 -2.618 -1.576 457 1HG1 VAL 55 HG12 VAL 55 56.746 -1.942 -2.438 458 2HG1 VAL 55 HG11 VAL 55 57.342 -2.587 -0.908 459 3HG1 VAL 55 HG13 VAL 55 56.474 -3.635 -2.028 460 1HG2 VAL 55 HG23 VAL 55 55.759 -2.423 1.120 461 2HG2 VAL 55 HG22 VAL 55 54.138 -3.005 0.744 462 3HG2 VAL 55 HG21 VAL 55 55.545 -3.973 0.307 463 H LEU 56 HN LEU 56 56.181 1.171 0.501 464 HA LEU 56 HA LEU 56 55.305 0.327 3.164 465 1HB LEU 56 HB2 LEU 56 57.037 2.355 1.862 466 2HB LEU 56 HB1 LEU 56 56.408 2.782 3.457 467 HG LEU 56 HG LEU 56 57.234 0.606 4.329 468 1HD1 LEU 56 HD11 LEU 56 57.813 0.244 1.458 469 2HD1 LEU 56 HD13 LEU 56 59.102 -0.271 2.545 470 3HD1 LEU 56 HD12 LEU 56 57.487 -0.962 2.704 471 1HD2 LEU 56 HD21 LEU 56 59.178 2.502 3.004 472 2HD2 LEU 56 HD23 LEU 56 58.722 2.422 4.703 473 3HD2 LEU 56 HD22 LEU 56 59.733 1.162 4.005 474 H THR 57 HN THR 57 53.712 1.830 0.682 475 HA THR 57 HA THR 57 52.044 3.480 2.557 476 HB THR 57 HB THR 57 52.376 5.182 1.088 477 HG1 THR 57 HG1 THR 57 51.503 4.973 -0.995 478 1HG2 THR 57 HG23 THR 57 53.831 3.154 -0.636 479 2HG2 THR 57 HG22 THR 57 53.866 4.900 -0.883 480 3HG2 THR 57 HG21 THR 57 54.565 4.202 0.579 481 H ASP 58 HN ASP 58 52.107 0.595 1.011 482 HA ASP 58 HA ASP 58 49.141 0.591 0.602 483 1HB ASP 58 HB2 ASP 58 50.761 0.748 -1.458 484 2HB ASP 58 HB1 ASP 58 51.054 -0.966 -1.132 485 H SER 59 HN SER 59 48.199 -1.058 1.751 486 HA SER 59 HA SER 59 49.819 -2.978 3.232 487 1HB SER 59 HB2 SER 59 47.859 -3.235 4.391 488 2HB SER 59 HB1 SER 59 47.374 -1.789 3.510 489 HG SER 59 HG SER 59 45.810 -3.239 3.071 490 H GLN 60 HN GLN 60 47.766 -3.069 0.341 491 HA GLN 60 HA GLN 60 47.620 -5.880 -0.058 492 1HB GLN 60 HB2 GLN 60 47.155 -5.201 -2.381 493 2HB GLN 60 HB1 GLN 60 46.359 -4.097 -1.254 494 1HG GLN 60 HG2 GLN 60 48.632 -2.766 -1.442 495 2HG GLN 60 HG1 GLN 60 48.772 -3.630 -2.973 496 1HE2 GLN 60 HE22 GLN 60 45.521 -1.131 -2.542 497 2HE2 GLN 60 HE21 GLN 60 46.086 -1.988 -1.191 498 H LYS 61 HN LYS 61 50.185 -3.551 -0.798 499 HA LYS 61 HA LYS 61 51.758 -5.475 -2.345 500 1HB LYS 61 HB2 LYS 61 52.597 -2.820 -1.160 501 2HB LYS 61 HB1 LYS 61 53.222 -3.603 -2.611 502 1HG LYS 61 HG2 LYS 61 51.026 -3.317 -3.709 503 2HG LYS 61 HG1 LYS 61 50.412 -2.510 -2.267 504 1HD LYS 61 HD2 LYS 61 51.165 -0.580 -3.160 505 2HD LYS 61 HD1 LYS 61 52.796 -1.169 -2.834 506 1HE LYS 61 HE2 LYS 61 52.862 -2.248 -5.055 507 2HE LYS 61 HE1 LYS 61 51.221 -1.657 -5.387 508 1HZ LYS 61 HZ2 LYS 61 52.180 0.607 -4.707 509 2HZ LYS 61 HZ1 LYS 61 53.699 -0.097 -4.997 510 3HZ LYS 61 HZ3 LYS 61 52.563 0.014 -6.251 511 H ARG 62 HN ARG 62 51.951 -3.896 0.862 512 HA ARG 62 HA ARG 62 54.352 -4.945 1.815 513 1HB ARG 62 HB2 ARG 62 51.650 -4.515 3.120 514 2HB ARG 62 HB1 ARG 62 53.093 -4.920 4.051 515 1HG ARG 62 HG2 ARG 62 52.927 -2.565 2.154 516 2HG ARG 62 HG1 ARG 62 52.637 -2.445 3.889 517 1HD ARG 62 HD2 ARG 62 55.177 -3.740 2.929 518 2HD ARG 62 HD1 ARG 62 55.058 -1.970 2.961 519 HE ARG 62 HE ARG 62 54.321 -2.262 5.395 520 1HH1 ARG 62 HH11 ARG 62 56.810 -3.938 3.813 521 2HH1 ARG 62 HH12 ARG 62 57.253 -4.899 5.185 522 1HH2 ARG 62 HH21 ARG 62 54.607 -3.800 7.140 523 2HH2 ARG 62 HH22 ARG 62 56.003 -4.824 7.067 524 H ALA 63 HN ALA 63 51.251 -6.571 1.352 525 HA ALA 63 HA ALA 63 52.110 -9.052 2.654 526 1HB ALA 63 HB3 ALA 63 49.727 -7.970 2.247 527 2HB ALA 63 HB2 ALA 63 49.838 -8.803 0.697 528 3HB ALA 63 HB1 ALA 63 49.908 -9.724 2.199 529 H ALA 64 HN ALA 64 52.181 -7.630 -0.524 530 HA ALA 64 HA ALA 64 52.886 -10.157 -1.894 531 1HB ALA 64 HB3 ALA 64 51.685 -7.729 -2.562 532 2HB ALA 64 HB2 ALA 64 53.291 -7.595 -3.274 533 3HB ALA 64 HB1 ALA 64 52.240 -8.940 -3.718 534 H TYR 65 HN TYR 65 54.343 -6.952 -1.430 535 HA TYR 65 HA TYR 65 56.958 -7.450 -2.333 536 1HB TYR 65 HB2 TYR 65 55.785 -5.311 -1.559 537 2HB TYR 65 HB1 TYR 65 56.192 -5.788 0.073 538 HD1 TYR 65 HD2 TYR 65 58.093 -6.137 -3.130 539 HD2 TYR 65 HD1 TYR 65 57.943 -4.409 0.800 540 HE1 TYR 65 HE2 TYR 65 60.398 -5.273 -3.422 541 HE2 TYR 65 HE1 TYR 65 60.250 -3.549 0.509 542 HH TYR 65 HH TYR 65 61.992 -3.972 -2.567 543 H ASP 66 HN ASP 66 55.580 -7.825 0.921 544 HA ASP 66 HA ASP 66 57.764 -8.320 2.433 545 1HB ASP 66 HB2 ASP 66 56.274 -10.009 3.643 546 2HB ASP 66 HB1 ASP 66 55.552 -8.426 3.354 547 H GLN 67 HN GLN 67 56.443 -10.500 -0.011 548 HA GLN 67 HA GLN 67 58.857 -11.903 -0.494 549 1HB GLN 67 HB2 GLN 67 58.130 -14.054 0.779 550 2HB GLN 67 HB1 GLN 67 58.834 -12.740 1.721 551 1HG GLN 67 HG2 GLN 67 56.840 -12.206 2.728 552 2HG GLN 67 HG1 GLN 67 55.885 -12.665 1.318 553 1HE2 GLN 67 HE22 GLN 67 55.040 -15.401 3.509 554 2HE2 GLN 67 HE21 GLN 67 54.551 -13.836 3.070 555 H TYR 68 HN TYR 68 56.887 -11.066 -2.217 556 HA TYR 68 HA TYR 68 55.898 -13.646 -3.317 557 1HB TYR 68 HB2 TYR 68 54.319 -11.668 -1.919 558 2HB TYR 68 HB1 TYR 68 53.782 -11.783 -3.600 559 HD1 TYR 68 HD1 TYR 68 52.969 -13.928 -4.525 560 HD2 TYR 68 HD2 TYR 68 54.095 -13.538 -0.397 561 HE1 TYR 68 HE1 TYR 68 51.820 -16.064 -4.007 562 HE2 TYR 68 HE2 TYR 68 52.947 -15.674 0.119 563 HH TYR 68 HH TYR 68 50.997 -17.339 -2.291 564 H GLY 69 HN GLY 69 57.998 -12.135 -4.349 565 1HA GLY 69 HA2 GLY 69 56.935 -10.363 -6.451 566 2HA GLY 69 HA1 GLY 69 58.639 -10.727 -6.166 567 H HIS 70 HN HIS 70 55.674 -12.522 -7.081 568 HA HIS 70 HA HIS 70 57.119 -13.640 -9.418 569 1HB HIS 70 HB2 HIS 70 57.562 -15.064 -7.398 570 2HB HIS 70 HB1 HIS 70 55.817 -15.324 -7.257 571 HD1 HIS 70 HD1 HIS 70 57.612 -15.217 -10.576 572 HD2 HIS 70 HD2 HIS 70 55.874 -18.036 -8.045 573 HE1 HIS 70 HE1 HIS 70 57.516 -17.386 -11.879 574 H ALA 71 HN ALA 71 54.501 -15.576 -8.568 575 HA ALA 71 HA ALA 71 52.798 -14.318 -10.620 576 1HB ALA 71 HB3 ALA 71 53.197 -16.899 -9.323 577 2HB ALA 71 HB2 ALA 71 51.486 -16.475 -9.387 578 3HB ALA 71 HB1 ALA 71 52.434 -16.546 -10.874 579 H ALA 72 HN ALA 72 53.381 -13.235 -7.757 580 HA ALA 72 HA ALA 72 51.355 -13.320 -5.937 581 1HB ALA 72 HB2 ALA 72 53.432 -11.646 -6.542 582 2HB ALA 72 HB1 ALA 72 52.052 -10.576 -6.792 583 3HB ALA 72 HB3 ALA 72 52.289 -11.359 -5.230 584 H PHE 73 HN PHE 73 51.130 -11.849 -9.150 585 HA PHE 73 HA PHE 73 48.356 -10.929 -8.593 586 1HB PHE 73 HB2 PHE 73 50.589 -10.121 -10.204 587 2HB PHE 73 HB1 PHE 73 49.214 -10.429 -11.266 588 HD1 PHE 73 HD2 PHE 73 50.490 -8.391 -8.480 589 HD2 PHE 73 HD1 PHE 73 47.149 -9.134 -11.075 590 HE1 PHE 73 HE2 PHE 73 49.461 -6.251 -7.766 591 HE2 PHE 73 HE1 PHE 73 46.120 -6.993 -10.362 592 HZ PHE 73 HZ PHE 73 47.276 -5.552 -8.708 593 H GLU 74 HN GLU 74 48.544 -13.729 -8.616 594 HA GLU 74 HA GLU 74 47.781 -14.641 -11.332 595 1HB GLU 74 HB2 GLU 74 47.851 -16.861 -10.216 596 2HB GLU 74 HB1 GLU 74 49.332 -15.949 -9.930 597 1HG GLU 74 HG2 GLU 74 48.659 -15.361 -7.715 598 2HG GLU 74 HG1 GLU 74 47.004 -15.904 -8.000 599 H GLN 75 HN GLN 75 46.073 -16.708 -9.661 600 HA GLN 75 HA GLN 75 43.767 -15.106 -8.815 601 1HB GLN 75 HB2 GLN 75 42.325 -15.885 -10.661 602 2HB GLN 75 HB1 GLN 75 43.705 -14.985 -11.293 603 1HG GLN 75 HG2 GLN 75 44.264 -17.843 -10.967 604 2HG GLN 75 HG1 GLN 75 42.947 -17.525 -12.096 605 1HE2 GLN 75 HE22 GLN 75 45.257 -15.290 -14.034 606 2HE2 GLN 75 HE21 GLN 75 43.817 -15.037 -13.173 607 H GLY 76 HN GLY 76 45.229 -17.075 -7.430 608 1HA GLY 76 HA2 GLY 76 44.450 -18.785 -5.932 609 2HA GLY 76 HA1 GLY 76 43.117 -19.112 -7.040 610 H GLY 77 HN GLY 77 45.661 -18.892 -9.047 611 1HA GLY 77 HA2 GLY 77 47.412 -20.487 -9.620 612 2HA GLY 77 HA1 GLY 77 46.594 -21.688 -8.619 No H/Q in entry = 612 Start of MODEL 9 1 1H ALA 1 HT2 ALA 1 69.645 -12.168 3.004 2 2H ALA 1 HT1 ALA 1 70.847 -11.155 2.358 3 3H ALA 1 HT3 ALA 1 70.623 -11.240 4.037 4 HA ALA 1 HA ALA 1 69.539 -9.272 3.554 5 1HB ALA 1 HB3 ALA 1 68.755 -10.755 1.025 6 2HB ALA 1 HB2 ALA 1 68.226 -9.115 1.405 7 3HB ALA 1 HB1 ALA 1 69.940 -9.455 1.164 8 H LYS 2 HN LYS 2 68.432 -10.174 5.487 9 HA LYS 2 HA LYS 2 65.761 -11.389 4.865 10 1HB LYS 2 HB2 LYS 2 67.896 -11.960 6.717 11 2HB LYS 2 HB1 LYS 2 66.428 -11.584 7.620 12 1HG LYS 2 HG2 LYS 2 65.357 -13.177 5.736 13 2HG LYS 2 HG1 LYS 2 66.988 -13.852 5.772 14 1HD LYS 2 HD2 LYS 2 65.819 -15.090 7.415 15 2HD LYS 2 HD1 LYS 2 66.710 -13.883 8.343 16 1HE LYS 2 HE2 LYS 2 64.799 -12.818 9.012 17 2HE LYS 2 HE1 LYS 2 64.025 -13.017 7.428 18 1HZ LYS 2 HZ1 LYS 2 63.830 -15.416 7.931 19 2HZ LYS 2 HZ3 LYS 2 64.398 -15.112 9.500 20 3HZ LYS 2 HZ2 LYS 2 62.923 -14.443 8.988 21 H GLN 3 HN GLN 3 64.728 -10.815 7.506 22 HA GLN 3 HA GLN 3 63.582 -9.093 8.661 23 1HB GLN 3 HB2 GLN 3 66.218 -8.081 7.827 24 2HB GLN 3 HB1 GLN 3 65.032 -6.806 8.106 25 1HG GLN 3 HG2 GLN 3 65.688 -7.040 10.281 26 2HG GLN 3 HG1 GLN 3 64.548 -8.386 10.260 27 1HE2 GLN 3 HE22 GLN 3 68.563 -9.270 9.949 28 2HE2 GLN 3 HE21 GLN 3 67.998 -7.787 9.344 29 H ASP 4 HN ASP 4 61.738 -8.125 8.028 30 HA ASP 4 HA ASP 4 60.786 -7.797 5.456 31 1HB ASP 4 HB2 ASP 4 59.714 -7.507 7.775 32 2HB ASP 4 HB1 ASP 4 60.278 -5.837 7.701 33 H TYR 5 HN TYR 5 60.378 -5.620 4.298 34 HA TYR 5 HA TYR 5 62.953 -4.119 4.241 35 1HB TYR 5 HB2 TYR 5 61.173 -3.439 2.084 36 2HB TYR 5 HB1 TYR 5 62.734 -4.250 2.014 37 HD1 TYR 5 HD2 TYR 5 62.673 -6.806 2.789 38 HD2 TYR 5 HD1 TYR 5 59.299 -4.596 1.317 39 HE1 TYR 5 HE2 TYR 5 61.553 -8.929 2.174 40 HE2 TYR 5 HE1 TYR 5 58.179 -6.721 0.702 41 HH TYR 5 HH TYR 5 59.395 -9.801 1.721 42 H TYR 6 HN TYR 6 60.038 -3.765 5.712 43 HA TYR 6 HA TYR 6 59.599 -0.911 5.124 44 1HB TYR 6 HB2 TYR 6 57.919 -2.815 5.750 45 2HB TYR 6 HB1 TYR 6 58.415 -2.453 7.401 46 HD1 TYR 6 HD2 TYR 6 58.967 0.581 6.095 47 HD2 TYR 6 HD1 TYR 6 55.630 -2.051 6.743 48 HE1 TYR 6 HE2 TYR 6 57.435 2.530 6.139 49 HE2 TYR 6 HE1 TYR 6 54.102 -0.098 6.787 50 HH TYR 6 HH TYR 6 55.264 3.165 6.066 51 H GLU 7 HN GLU 7 61.187 -2.935 7.493 52 HA GLU 7 HA GLU 7 61.739 -0.677 9.310 53 1HB GLU 7 HB2 GLU 7 62.385 -3.632 9.213 54 2HB GLU 7 HB1 GLU 7 63.044 -2.576 10.462 55 1HG GLU 7 HG2 GLU 7 60.635 -1.846 10.918 56 2HG GLU 7 HG1 GLU 7 60.139 -3.207 9.911 57 H ILE 8 HN ILE 8 63.253 -2.460 6.702 58 HA ILE 8 HA ILE 8 65.997 -1.868 7.155 59 HB ILE 8 HB ILE 8 64.267 -2.964 5.150 60 1HG1 ILE 8 HG12 ILE 8 66.918 -3.419 4.382 61 2HG1 ILE 8 HG11 ILE 8 66.996 -3.186 6.129 62 1HG2 ILE 8 HG23 ILE 8 64.647 -0.787 3.944 63 2HG2 ILE 8 HG22 ILE 8 66.373 -1.137 3.951 64 3HG2 ILE 8 HG21 ILE 8 65.262 -2.192 3.078 65 1HD1 ILE 8 HD13 ILE 8 65.026 -4.813 6.290 66 2HD1 ILE 8 HD12 ILE 8 65.337 -5.199 4.598 67 3HD1 ILE 8 HD11 ILE 8 66.573 -5.516 5.816 68 H LEU 9 HN LEU 9 63.350 0.122 6.006 69 HA LEU 9 HA LEU 9 65.083 2.264 4.992 70 1HB LEU 9 HB2 LEU 9 62.121 2.242 5.608 71 2HB LEU 9 HB1 LEU 9 62.957 3.281 4.458 72 HG LEU 9 HG LEU 9 63.178 0.316 4.110 73 1HD1 LEU 9 HD13 LEU 9 60.730 1.992 3.562 74 2HD1 LEU 9 HD12 LEU 9 61.080 0.529 2.641 75 3HD1 LEU 9 HD11 LEU 9 60.827 0.434 4.384 76 1HD2 LEU 9 HD23 LEU 9 63.172 2.789 2.393 77 2HD2 LEU 9 HD22 LEU 9 64.434 1.567 2.556 78 3HD2 LEU 9 HD21 LEU 9 62.947 1.188 1.689 79 H GLY 10 HN GLY 10 64.801 1.291 8.019 80 1HA GLY 10 HA2 GLY 10 65.007 2.350 10.105 81 2HA GLY 10 HA1 GLY 10 65.417 3.816 9.211 82 H VAL 11 HN VAL 11 62.414 2.270 8.473 83 HA VAL 11 HA VAL 11 60.943 4.616 9.543 84 HB VAL 11 HB VAL 11 59.943 2.238 7.956 85 1HG1 VAL 11 HG12 VAL 11 58.889 4.896 8.756 86 2HG1 VAL 11 HG11 VAL 11 58.532 4.377 7.111 87 3HG1 VAL 11 HG13 VAL 11 58.033 3.381 8.476 88 1HG2 VAL 11 HG22 VAL 11 61.980 3.600 6.999 89 2HG2 VAL 11 HG21 VAL 11 60.607 3.231 5.961 90 3HG2 VAL 11 HG23 VAL 11 60.757 4.830 6.684 91 H SER 12 HN SER 12 58.652 3.943 10.417 92 HA SER 12 HA SER 12 59.074 2.023 12.618 93 1HB SER 12 HB2 SER 12 56.966 3.054 13.442 94 2HB SER 12 HB1 SER 12 58.190 4.268 13.076 95 HG SER 12 HG SER 12 56.646 5.059 11.874 96 H LYS 13 HN LYS 13 58.402 1.574 9.574 97 HA LYS 13 HA LYS 13 56.890 0.331 8.292 98 1HB LYS 13 HB2 LYS 13 57.278 -1.896 8.744 99 2HB LYS 13 HB1 LYS 13 58.490 -1.178 9.801 100 1HG LYS 13 HG2 LYS 13 56.587 -1.170 11.590 101 2HG LYS 13 HG1 LYS 13 55.800 -2.335 10.527 102 1HD LYS 13 HD2 LYS 13 57.476 -3.936 10.817 103 2HD LYS 13 HD1 LYS 13 58.675 -2.735 11.300 104 1HE LYS 13 HE2 LYS 13 56.641 -2.497 13.219 105 2HE LYS 13 HE1 LYS 13 56.840 -4.245 12.975 106 1HZ LYS 13 HZ3 LYS 13 59.099 -2.350 13.326 107 2HZ LYS 13 HZ2 LYS 13 58.445 -3.281 14.587 108 3HZ LYS 13 HZ1 LYS 13 59.186 -4.042 13.262 109 H THR 14 HN THR 14 55.774 2.138 10.174 110 HA THR 14 HA THR 14 53.000 1.073 10.331 111 HB THR 14 HB THR 14 52.828 2.252 12.532 112 HG1 THR 14 HG1 THR 14 54.545 3.734 12.068 113 1HG2 THR 14 HG23 THR 14 54.441 -0.090 11.953 114 2HG2 THR 14 HG22 THR 14 54.988 0.711 13.427 115 3HG2 THR 14 HG21 THR 14 53.311 0.184 13.278 116 H ALA 15 HN ALA 15 55.282 3.739 10.021 117 HA ALA 15 HA ALA 15 53.569 5.964 9.763 118 1HB ALA 15 HB3 ALA 15 56.270 5.324 9.633 119 2HB ALA 15 HB2 ALA 15 55.914 5.816 7.978 120 3HB ALA 15 HB1 ALA 15 55.603 6.925 9.313 121 H GLU 16 HN GLU 16 54.249 6.904 7.184 122 HA GLU 16 HA GLU 16 53.109 4.984 5.238 123 1HB GLU 16 HB2 GLU 16 51.881 7.596 6.162 124 2HB GLU 16 HB1 GLU 16 51.464 6.876 4.604 125 1HG GLU 16 HG2 GLU 16 51.268 4.747 6.388 126 2HG GLU 16 HG1 GLU 16 50.596 6.110 7.284 127 H GLU 17 HN GLU 17 52.755 8.119 4.141 128 HA GLU 17 HA GLU 17 55.265 7.962 2.588 129 1HB GLU 17 HB2 GLU 17 52.797 8.538 1.844 130 2HB GLU 17 HB1 GLU 17 53.216 10.154 2.414 131 1HG GLU 17 HG2 GLU 17 54.939 10.403 0.836 132 2HG GLU 17 HG1 GLU 17 55.060 8.664 0.557 133 H ARG 18 HN ARG 18 54.343 9.210 5.547 134 HA ARG 18 HA ARG 18 55.740 11.782 5.380 135 1HB ARG 18 HB2 ARG 18 55.073 11.912 7.748 136 2HB ARG 18 HB1 ARG 18 53.716 11.366 6.762 137 1HG ARG 18 HG2 ARG 18 53.615 9.757 8.408 138 2HG ARG 18 HG1 ARG 18 54.773 8.970 7.339 139 1HD ARG 18 HD2 ARG 18 55.909 8.850 9.380 140 2HD ARG 18 HD1 ARG 18 56.530 10.391 8.755 141 HE ARG 18 HE ARG 18 55.337 11.462 10.482 142 1HH1 ARG 18 HH11 ARG 18 52.615 10.976 9.685 143 2HH1 ARG 18 HH12 ARG 18 51.984 9.939 10.920 144 1HH2 ARG 18 HH21 ARG 18 55.106 8.999 12.097 145 2HH2 ARG 18 HH22 ARG 18 53.394 8.817 12.284 146 H GLU 19 HN GLU 19 56.481 8.520 6.612 147 HA GLU 19 HA GLU 19 59.097 9.575 7.576 148 1HB GLU 19 HB2 GLU 19 57.255 7.647 8.523 149 2HB GLU 19 HB1 GLU 19 58.704 6.764 8.027 150 1HG GLU 19 HG2 GLU 19 60.003 7.721 9.626 151 2HG GLU 19 HG1 GLU 19 59.214 9.290 9.463 152 H ILE 20 HN ILE 20 57.626 7.372 5.265 153 HA ILE 20 HA ILE 20 60.084 6.198 4.419 154 HB ILE 20 HB ILE 20 57.299 6.148 3.774 155 1HG1 ILE 20 HG12 ILE 20 57.963 3.970 2.816 156 2HG1 ILE 20 HG11 ILE 20 59.654 4.464 2.897 157 1HG2 ILE 20 HG21 ILE 20 59.136 6.508 1.386 158 2HG2 ILE 20 HG23 ILE 20 57.537 5.771 1.282 159 3HG2 ILE 20 HG22 ILE 20 57.701 7.455 1.778 160 1HD1 ILE 20 HD13 ILE 20 59.386 4.789 5.366 161 2HD1 ILE 20 HD12 ILE 20 57.757 4.131 5.236 162 3HD1 ILE 20 HD11 ILE 20 59.149 3.121 4.857 163 H ARG 21 HN ARG 21 58.753 9.346 4.079 164 HA ARG 21 HA ARG 21 60.326 9.986 1.671 165 1HB ARG 21 HB2 ARG 21 59.046 11.958 1.650 166 2HB ARG 21 HB1 ARG 21 57.950 10.830 2.446 167 1HG ARG 21 HG2 ARG 21 58.597 11.661 4.634 168 2HG ARG 21 HG1 ARG 21 59.838 12.690 3.918 169 1HD ARG 21 HD2 ARG 21 57.513 13.394 2.533 170 2HD ARG 21 HD1 ARG 21 56.983 13.210 4.218 171 HE ARG 21 HE ARG 21 58.511 14.943 4.858 172 1HH1 ARG 21 HH21 ARG 21 60.993 14.873 3.809 173 2HH1 ARG 21 HH22 ARG 21 61.004 15.856 2.382 174 1HH2 ARG 21 HH11 ARG 21 57.553 15.851 2.033 175 2HH2 ARG 21 HH12 ARG 21 59.056 16.407 1.375 176 H LYS 22 HN LYS 22 60.372 10.668 5.138 177 HA LYS 22 HA LYS 22 62.831 12.262 4.927 178 1HB LYS 22 HB2 LYS 22 60.921 12.679 6.550 179 2HB LYS 22 HB1 LYS 22 61.358 11.169 7.351 180 1HG LYS 22 HG2 LYS 22 63.778 12.285 7.348 181 2HG LYS 22 HG1 LYS 22 62.830 13.769 7.278 182 1HD LYS 22 HD2 LYS 22 63.312 13.088 9.618 183 2HD LYS 22 HD1 LYS 22 61.581 13.097 9.276 184 1HE LYS 22 HE2 LYS 22 61.399 10.848 9.589 185 2HE LYS 22 HE1 LYS 22 62.896 10.519 8.692 186 1HZ LYS 22 HZ2 LYS 22 63.075 11.915 11.266 187 2HZ LYS 22 HZ1 LYS 22 62.815 10.236 11.284 188 3HZ LYS 22 HZ3 LYS 22 64.193 10.871 10.525 189 H ALA 23 HN ALA 23 61.723 9.019 5.574 190 HA ALA 23 HA ALA 23 64.263 8.080 6.720 191 1HB ALA 23 HB3 ALA 23 61.936 7.146 7.141 192 2HB ALA 23 HB2 ALA 23 61.968 6.515 5.494 193 3HB ALA 23 HB1 ALA 23 63.134 5.935 6.683 194 H TYR 24 HN TYR 24 62.530 7.557 3.617 195 HA TYR 24 HA TYR 24 64.546 6.118 2.261 196 1HB TYR 24 HB2 TYR 24 62.343 6.398 1.318 197 2HB TYR 24 HB1 TYR 24 62.493 8.154 1.359 198 HD1 TYR 24 HD1 TYR 24 65.466 6.284 0.429 199 HD2 TYR 24 HD2 TYR 24 61.905 8.151 -1.086 200 HE1 TYR 24 HE1 TYR 24 66.435 6.281 -1.854 201 HE2 TYR 24 HE2 TYR 24 62.876 8.147 -3.368 202 HH TYR 24 HH TYR 24 64.985 6.405 -4.467 203 H LYS 25 HN LYS 25 64.006 9.621 2.546 204 HA LYS 25 HA LYS 25 66.343 10.371 0.993 205 1HB LYS 25 HB2 LYS 25 64.064 11.583 1.640 206 2HB LYS 25 HB1 LYS 25 65.020 12.150 3.011 207 1HG LYS 25 HG2 LYS 25 66.802 12.699 1.129 208 2HG LYS 25 HG1 LYS 25 65.376 12.716 0.091 209 1HD LYS 25 HD2 LYS 25 64.354 14.464 1.331 210 2HD LYS 25 HD1 LYS 25 65.465 14.259 2.686 211 1HE LYS 25 HE2 LYS 25 67.294 14.817 0.825 212 2HE LYS 25 HE1 LYS 25 65.913 15.636 0.066 213 1HZ LYS 25 HZ2 LYS 25 66.284 15.956 2.951 214 2HZ LYS 25 HZ1 LYS 25 67.331 16.817 1.927 215 3HZ LYS 25 HZ3 LYS 25 65.655 17.049 1.814 216 H ARG 26 HN ARG 26 65.581 10.689 4.515 217 HA ARG 26 HA ARG 26 68.100 11.569 5.393 218 1HB ARG 26 HB2 ARG 26 66.157 11.329 6.843 219 2HB ARG 26 HB1 ARG 26 66.187 9.576 6.649 220 1HG ARG 26 HG2 ARG 26 67.279 9.874 8.701 221 2HG ARG 26 HG1 ARG 26 68.625 9.766 7.566 222 1HD ARG 26 HD2 ARG 26 68.510 12.330 7.411 223 2HD ARG 26 HD1 ARG 26 67.465 12.255 8.844 224 HE ARG 26 HE ARG 26 70.305 11.364 8.743 225 1HH1 ARG 26 HH21 ARG 26 69.043 9.540 10.579 226 2HH1 ARG 26 HH22 ARG 26 69.000 10.403 12.080 227 1HH2 ARG 26 HH11 ARG 26 69.521 13.505 10.618 228 2HH2 ARG 26 HH12 ARG 26 69.271 12.648 12.102 229 H LEU 27 HN LEU 27 67.150 8.244 4.521 230 HA LEU 27 HA LEU 27 69.787 7.191 5.338 231 1HB LEU 27 HB2 LEU 27 67.143 6.229 4.898 232 2HB LEU 27 HB1 LEU 27 68.209 5.376 3.780 233 HG LEU 27 HG LEU 27 68.065 4.200 5.957 234 1HD1 LEU 27 HD12 LEU 27 70.690 5.504 5.205 235 2HD1 LEU 27 HD11 LEU 27 70.581 4.272 6.463 236 3HD1 LEU 27 HD13 LEU 27 70.128 3.881 4.804 237 1HD2 LEU 27 HD21 LEU 27 68.456 6.928 6.918 238 2HD2 LEU 27 HD23 LEU 27 67.871 5.510 7.790 239 3HD2 LEU 27 HD22 LEU 27 69.604 5.807 7.650 240 H ALA 28 HN ALA 28 68.071 8.071 2.369 241 HA ALA 28 HA ALA 28 70.048 6.898 0.586 242 1HB ALA 28 HB3 ALA 28 67.769 8.853 0.360 243 2HB ALA 28 HB2 ALA 28 68.796 8.482 -1.025 244 3HB ALA 28 HB1 ALA 28 67.858 7.202 -0.254 245 H MET 29 HN MET 29 69.540 9.983 2.176 246 HA MET 29 HA MET 29 71.202 11.727 0.752 247 1HB MET 29 HB2 MET 29 70.796 11.198 3.700 248 2HB MET 29 HB1 MET 29 71.697 12.594 3.106 249 1HG MET 29 HG2 MET 29 69.270 12.466 1.628 250 2HG MET 29 HG1 MET 29 68.856 12.277 3.331 251 1HE MET 29 HE1 MET 29 69.595 13.377 5.049 252 2HE MET 29 HE3 MET 29 70.665 14.783 5.129 253 3HE MET 29 HE2 MET 29 68.920 15.005 5.027 254 H LYS 30 HN LYS 30 72.012 9.323 3.183 255 HA LYS 30 HA LYS 30 74.807 9.584 3.395 256 1HB LYS 30 HB2 LYS 30 72.639 7.692 3.878 257 2HB LYS 30 HB1 LYS 30 74.143 6.866 3.463 258 1HG LYS 30 HG2 LYS 30 74.996 7.294 5.497 259 2HG LYS 30 HG1 LYS 30 74.724 9.023 5.274 260 1HD LYS 30 HD2 LYS 30 72.555 8.924 6.209 261 2HD LYS 30 HD1 LYS 30 72.458 7.174 6.015 262 1HE LYS 30 HE2 LYS 30 74.560 8.411 7.800 263 2HE LYS 30 HE1 LYS 30 72.927 8.065 8.403 264 1HZ LYS 30 HZ1 LYS 30 73.446 5.830 7.059 265 2HZ LYS 30 HZ3 LYS 30 75.017 6.224 7.567 266 3HZ LYS 30 HZ2 LYS 30 73.781 6.014 8.715 267 H TYR 31 HN TYR 31 72.839 8.489 0.791 268 HA TYR 31 HA TYR 31 75.230 7.321 -0.604 269 1HB TYR 31 HB2 TYR 31 72.331 6.795 -1.271 270 2HB TYR 31 HB1 TYR 31 73.737 5.789 -1.625 271 HD1 TYR 31 HD2 TYR 31 75.125 5.852 1.015 272 HD2 TYR 31 HD1 TYR 31 70.968 5.384 0.048 273 HE1 TYR 31 HE2 TYR 31 74.773 4.609 3.133 274 HE2 TYR 31 HE1 TYR 31 70.613 4.143 2.165 275 HH TYR 31 HH TYR 31 72.435 2.668 3.758 276 H HIS 32 HN HIS 32 72.317 9.324 -1.025 277 HA HIS 32 HA HIS 32 72.025 10.032 -3.570 278 1HB HIS 32 HB2 HIS 32 72.105 11.468 -1.045 279 2HB HIS 32 HB1 HIS 32 72.503 12.530 -2.401 280 HD1 HIS 32 HD1 HIS 32 69.960 9.700 -1.980 281 HD2 HIS 32 HD2 HIS 32 70.152 13.653 -3.290 282 HE1 HIS 32 HE1 HIS 32 67.631 10.307 -2.767 283 HA PRO 33 HA PRO 33 76.341 10.501 -4.886 284 1HB PRO 33 HB2 PRO 33 75.669 10.532 -7.570 285 2HB PRO 33 HB1 PRO 33 75.880 9.051 -6.624 286 1HG PRO 33 HG2 PRO 33 73.360 10.524 -7.265 287 2HG PRO 33 HG1 PRO 33 73.715 8.789 -7.405 288 1HD PRO 33 HD2 PRO 33 72.381 9.689 -5.311 289 2HD PRO 33 HD1 PRO 33 73.649 8.460 -5.090 290 H ASP 34 HN ASP 34 76.117 12.181 -7.540 291 HA ASP 34 HA ASP 34 76.040 14.501 -8.070 292 1HB ASP 34 HB2 ASP 34 73.785 14.020 -6.653 293 2HB ASP 34 HB1 ASP 34 74.613 15.062 -5.495 294 H ARG 35 HN ARG 35 76.046 14.355 -4.517 295 HA ARG 35 HA ARG 35 78.615 15.845 -4.420 296 1HB ARG 35 HB2 ARG 35 77.843 16.348 -2.182 297 2HB ARG 35 HB1 ARG 35 76.467 16.573 -3.255 298 1HG ARG 35 HG2 ARG 35 76.113 13.974 -2.691 299 2HG ARG 35 HG1 ARG 35 76.965 14.442 -1.218 300 1HD ARG 35 HD2 ARG 35 75.311 16.345 -0.961 301 2HD ARG 35 HD1 ARG 35 74.390 15.634 -2.300 302 HE ARG 35 HE ARG 35 74.529 13.467 -0.821 303 1HH1 ARG 35 HH21 ARG 35 75.393 13.888 1.674 304 2HH1 ARG 35 HH22 ARG 35 74.156 14.719 2.557 305 1HH2 ARG 35 HH11 ARG 35 72.464 15.767 -0.284 306 2HH2 ARG 35 HH12 ARG 35 72.496 15.784 1.448 307 H ASN 36 HN ASN 36 77.042 12.809 -3.859 308 HA ASN 36 HA ASN 36 79.345 11.717 -2.311 309 1HB ASN 36 HB2 ASN 36 76.519 10.713 -2.869 310 2HB ASN 36 HB1 ASN 36 77.693 9.934 -1.803 311 1HD2 ASN 36 HD22 ASN 36 77.432 12.432 0.770 312 2HD2 ASN 36 HD21 ASN 36 78.512 11.318 0.079 313 H GLN 37 HN GLN 37 80.206 11.977 -4.875 314 HA GLN 37 HA GLN 37 79.419 9.665 -6.499 315 1HB GLN 37 HB2 GLN 37 81.314 11.971 -6.724 316 2HB GLN 37 HB1 GLN 37 81.489 10.604 -7.822 317 1HG GLN 37 HG2 GLN 37 79.496 11.017 -8.886 318 2HG GLN 37 HG1 GLN 37 78.742 11.687 -7.439 319 1HE2 GLN 37 HE22 GLN 37 79.600 14.429 -9.936 320 2HE2 GLN 37 HE21 GLN 37 78.789 12.949 -10.119 321 H GLY 38 HN GLY 38 81.225 9.884 -3.773 322 1HA GLY 38 HA2 GLY 38 83.379 8.044 -4.646 323 2HA GLY 38 HA1 GLY 38 83.192 8.722 -3.021 324 H ASP 39 HN ASP 39 80.269 7.661 -4.327 325 HA ASP 39 HA ASP 39 80.437 4.895 -3.270 326 1HB ASP 39 HB2 ASP 39 79.629 7.121 -1.752 327 2HB ASP 39 HB1 ASP 39 78.129 6.330 -2.236 328 H LYS 40 HN LYS 40 79.782 6.607 -5.780 329 HA LYS 40 HA LYS 40 77.146 6.622 -6.570 330 1HB LYS 40 HB2 LYS 40 79.471 5.634 -8.182 331 2HB LYS 40 HB1 LYS 40 78.019 6.385 -8.818 332 1HG LYS 40 HG2 LYS 40 78.549 8.415 -7.493 333 2HG LYS 40 HG1 LYS 40 80.074 7.673 -7.029 334 1HD LYS 40 HD2 LYS 40 79.608 7.561 -9.911 335 2HD LYS 40 HD1 LYS 40 79.690 9.211 -9.289 336 1HE LYS 40 HE2 LYS 40 81.867 8.911 -8.431 337 2HE LYS 40 HE1 LYS 40 81.732 7.144 -8.468 338 1HZ LYS 40 HZ3 LYS 40 81.236 7.691 -11.005 339 2HZ LYS 40 HZ2 LYS 40 82.241 9.015 -10.654 340 3HZ LYS 40 HZ1 LYS 40 82.812 7.431 -10.432 341 H GLU 41 HN GLU 41 79.128 3.830 -5.962 342 HA GLU 41 HA GLU 41 77.558 1.834 -7.311 343 1HB GLU 41 HB2 GLU 41 79.884 1.951 -5.859 344 2HB GLU 41 HB1 GLU 41 78.806 1.151 -4.714 345 1HG GLU 41 HG2 GLU 41 78.156 -0.266 -6.879 346 2HG GLU 41 HG1 GLU 41 79.781 0.210 -7.377 347 H ALA 42 HN ALA 42 76.843 3.858 -4.668 348 HA ALA 42 HA ALA 42 75.064 2.094 -3.194 349 1HB ALA 42 HB2 ALA 42 76.269 4.328 -2.534 350 2HB ALA 42 HB1 ALA 42 74.904 5.108 -3.336 351 3HB ALA 42 HB3 ALA 42 74.628 4.060 -1.944 352 H GLU 43 HN GLU 43 74.965 3.784 -6.159 353 HA GLU 43 HA GLU 43 72.371 4.619 -6.596 354 1HB GLU 43 HB2 GLU 43 73.987 4.782 -8.313 355 2HB GLU 43 HB1 GLU 43 74.412 3.075 -8.191 356 1HG GLU 43 HG2 GLU 43 72.299 2.412 -9.179 357 2HG GLU 43 HG1 GLU 43 71.709 4.074 -9.140 358 H ALA 44 HN ALA 44 73.599 1.297 -6.401 359 HA ALA 44 HA ALA 44 71.100 -0.029 -7.109 360 1HB ALA 44 HB1 ALA 44 73.742 -0.722 -5.836 361 2HB ALA 44 HB3 ALA 44 72.427 -1.894 -5.770 362 3HB ALA 44 HB2 ALA 44 73.035 -1.340 -7.330 363 H LYS 45 HN LYS 45 72.593 1.090 -4.066 364 HA LYS 45 HA LYS 45 70.923 -0.156 -2.195 365 1HB LYS 45 HB2 LYS 45 72.708 2.053 -2.316 366 2HB LYS 45 HB1 LYS 45 71.236 2.623 -1.518 367 1HG LYS 45 HG2 LYS 45 71.892 1.569 0.351 368 2HG LYS 45 HG1 LYS 45 71.750 0.033 -0.507 369 1HD LYS 45 HD2 LYS 45 74.157 1.338 -1.352 370 2HD LYS 45 HD1 LYS 45 74.125 1.295 0.412 371 1HE LYS 45 HE2 LYS 45 73.266 -1.222 -0.101 372 2HE LYS 45 HE1 LYS 45 74.296 -0.957 -1.522 373 1HZ LYS 45 HZ3 LYS 45 75.090 -0.423 1.293 374 2HZ LYS 45 HZ2 LYS 45 75.584 -1.768 0.380 375 3HZ LYS 45 HZ1 LYS 45 76.067 -0.204 -0.074 376 H PHE 46 HN PHE 46 70.145 2.303 -4.564 377 HA PHE 46 HA PHE 46 67.716 3.311 -3.444 378 1HB PHE 46 HB2 PHE 46 68.660 2.738 -6.277 379 2HB PHE 46 HB1 PHE 46 67.148 3.576 -5.936 380 HD1 PHE 46 HD1 PHE 46 69.531 4.246 -3.385 381 HD2 PHE 46 HD2 PHE 46 68.430 5.368 -7.383 382 HE1 PHE 46 HE1 PHE 46 70.765 6.380 -3.127 383 HE2 PHE 46 HE2 PHE 46 69.665 7.501 -7.123 384 HZ PHE 46 HZ PHE 46 70.832 8.008 -4.997 385 H LYS 47 HN LYS 47 68.557 0.336 -5.103 386 HA LYS 47 HA LYS 47 65.951 -0.713 -5.438 387 1HB LYS 47 HB2 LYS 47 67.186 -2.577 -6.216 388 2HB LYS 47 HB1 LYS 47 68.342 -1.270 -6.437 389 1HG LYS 47 HG2 LYS 47 69.782 -2.343 -5.114 390 2HG LYS 47 HG1 LYS 47 68.641 -2.251 -3.773 391 1HD LYS 47 HD2 LYS 47 68.535 -4.500 -3.944 392 2HD LYS 47 HD1 LYS 47 67.535 -4.199 -5.366 393 1HE LYS 47 HE2 LYS 47 69.506 -4.265 -6.814 394 2HE LYS 47 HE1 LYS 47 70.557 -4.502 -5.403 395 1HZ LYS 47 HZ1 LYS 47 68.279 -6.284 -5.544 396 2HZ LYS 47 HZ3 LYS 47 69.417 -6.513 -6.780 397 3HZ LYS 47 HZ2 LYS 47 69.897 -6.624 -5.154 398 H GLU 48 HN GLU 48 67.853 -0.075 -2.708 399 HA GLU 48 HA GLU 48 66.713 -2.255 -1.116 400 1HB GLU 48 HB2 GLU 48 68.468 0.073 -0.283 401 2HB GLU 48 HB1 GLU 48 68.225 -1.430 0.607 402 1HG GLU 48 HG2 GLU 48 69.350 -1.409 -2.196 403 2HG GLU 48 HG1 GLU 48 70.385 -1.243 -0.777 404 H ILE 49 HN ILE 49 66.402 1.198 -1.643 405 HA ILE 49 HA ILE 49 64.233 1.284 0.402 406 HB ILE 49 HB ILE 49 65.795 3.427 -1.063 407 1HG1 ILE 49 HG12 ILE 49 66.263 3.663 1.650 408 2HG1 ILE 49 HG11 ILE 49 66.223 1.913 1.407 409 1HG2 ILE 49 HG22 ILE 49 63.413 3.474 0.700 410 2HG2 ILE 49 HG21 ILE 49 64.652 4.684 1.033 411 3HG2 ILE 49 HG23 ILE 49 63.905 4.600 -0.562 412 1HD1 ILE 49 HD11 ILE 49 67.688 3.512 -0.621 413 2HD1 ILE 49 HD13 ILE 49 68.438 3.370 0.968 414 3HD1 ILE 49 HD12 ILE 49 68.059 1.918 0.039 415 H LYS 50 HN LYS 50 64.991 2.432 -2.917 416 HA LYS 50 HA LYS 50 62.251 3.156 -3.411 417 1HB LYS 50 HB2 LYS 50 64.005 4.214 -4.654 418 2HB LYS 50 HB1 LYS 50 64.694 2.663 -5.135 419 1HG LYS 50 HG2 LYS 50 63.225 2.397 -6.847 420 2HG LYS 50 HG1 LYS 50 61.874 3.038 -5.912 421 1HD LYS 50 HD2 LYS 50 62.947 5.339 -6.193 422 2HD LYS 50 HD1 LYS 50 64.007 4.590 -7.389 423 1HE LYS 50 HE2 LYS 50 61.746 3.697 -8.417 424 2HE LYS 50 HE1 LYS 50 61.042 5.062 -7.526 425 1HZ LYS 50 HZ1 LYS 50 63.378 5.238 -9.355 426 2HZ LYS 50 HZ3 LYS 50 61.802 5.722 -9.749 427 3HZ LYS 50 HZ2 LYS 50 62.656 6.534 -8.525 428 H GLU 51 HN GLU 51 64.065 0.147 -3.691 429 HA GLU 51 HA GLU 51 61.926 -1.074 -5.353 430 1HB GLU 51 HB2 GLU 51 63.904 -2.024 -6.012 431 2HB GLU 51 HB1 GLU 51 64.688 -1.498 -4.551 432 1HG GLU 51 HG2 GLU 51 64.746 -3.897 -4.516 433 2HG GLU 51 HG1 GLU 51 63.534 -3.403 -3.334 434 H ALA 52 HN ALA 52 63.120 -0.927 -2.065 435 HA ALA 52 HA ALA 52 61.264 -2.991 -1.047 436 1HB ALA 52 HB1 ALA 52 63.717 -2.342 -0.341 437 2HB ALA 52 HB3 ALA 52 62.917 -1.066 0.577 438 3HB ALA 52 HB2 ALA 52 62.550 -2.756 0.911 439 H TYR 53 HN TYR 53 61.874 0.479 -0.549 440 HA TYR 53 HA TYR 53 59.418 0.935 0.924 441 1HB TYR 53 HB2 TYR 53 60.661 2.700 1.542 442 2HB TYR 53 HB1 TYR 53 61.925 2.124 0.487 443 HD1 TYR 53 HD2 TYR 53 60.844 2.688 -2.205 444 HD2 TYR 53 HD1 TYR 53 60.649 4.998 1.407 445 HE1 TYR 53 HE2 TYR 53 60.721 4.763 -3.541 446 HE2 TYR 53 HE1 TYR 53 60.533 7.077 0.073 447 HH TYR 53 HH TYR 53 59.646 7.564 -2.493 448 H GLU 54 HN GLU 54 59.743 0.205 -2.228 449 HA GLU 54 HA GLU 54 58.103 2.286 -3.458 450 1HB GLU 54 HB2 GLU 54 59.214 1.282 -5.171 451 2HB GLU 54 HB1 GLU 54 59.622 -0.105 -4.168 452 1HG GLU 54 HG2 GLU 54 57.711 -1.292 -4.800 453 2HG GLU 54 HG1 GLU 54 56.829 0.169 -5.245 454 H VAL 55 HN VAL 55 57.556 -0.560 -1.569 455 HA VAL 55 HA VAL 55 54.685 -0.618 -2.372 456 HB VAL 55 HB VAL 55 54.931 -2.880 -2.353 457 1HG1 VAL 55 HG13 VAL 55 57.286 -2.179 -2.980 458 2HG1 VAL 55 HG12 VAL 55 57.729 -2.587 -1.322 459 3HG1 VAL 55 HG11 VAL 55 57.071 -3.825 -2.391 460 1HG2 VAL 55 HG21 VAL 55 55.846 -2.385 0.481 461 2HG2 VAL 55 HG23 VAL 55 54.363 -3.159 -0.079 462 3HG2 VAL 55 HG22 VAL 55 55.905 -4.002 -0.212 463 H LEU 56 HN LEU 56 56.241 1.129 -0.350 464 HA LEU 56 HA LEU 56 54.701 0.451 2.099 465 1HB LEU 56 HB2 LEU 56 57.157 1.909 1.320 466 2HB LEU 56 HB1 LEU 56 56.282 2.578 2.702 467 HG LEU 56 HG LEU 56 56.391 0.478 3.881 468 1HD1 LEU 56 HD13 LEU 56 56.017 -0.978 1.913 469 2HD1 LEU 56 HD12 LEU 56 57.656 -0.639 1.358 470 3HD1 LEU 56 HD11 LEU 56 57.399 -1.525 2.860 471 1HD2 LEU 56 HD21 LEU 56 58.924 1.472 2.618 472 2HD2 LEU 56 HD23 LEU 56 58.409 1.558 4.297 473 3HD2 LEU 56 HD22 LEU 56 58.987 0.033 3.634 474 H THR 57 HN THR 57 53.620 1.692 -0.483 475 HA THR 57 HA THR 57 52.074 3.854 0.815 476 HB THR 57 HB THR 57 53.311 5.532 -0.097 477 HG1 THR 57 HG1 THR 57 53.501 5.466 -2.495 478 1HG2 THR 57 HG21 THR 57 54.879 3.284 -1.392 479 2HG2 THR 57 HG23 THR 57 55.349 4.980 -1.497 480 3HG2 THR 57 HG22 THR 57 55.301 4.174 0.072 481 H ASP 58 HN ASP 58 51.861 1.127 -0.732 482 HA ASP 58 HA ASP 58 49.770 2.063 -2.671 483 1HB ASP 58 HB2 ASP 58 51.816 1.193 -3.732 484 2HB ASP 58 HB1 ASP 58 51.682 -0.311 -2.802 485 H SER 59 HN SER 59 47.767 1.013 -2.550 486 HA SER 59 HA SER 59 46.768 -0.204 -0.269 487 1HB SER 59 HB2 SER 59 45.301 0.385 -2.058 488 2HB SER 59 HB1 SER 59 46.193 -0.602 -3.214 489 HG SER 59 HG SER 59 44.830 -2.110 -2.706 490 H GLN 60 HN GLN 60 47.575 -2.173 -3.145 491 HA GLN 60 HA GLN 60 47.905 -4.634 -1.682 492 1HB GLN 60 HB2 GLN 60 48.821 -5.372 -3.847 493 2HB GLN 60 HB1 GLN 60 47.438 -4.315 -4.148 494 1HG GLN 60 HG2 GLN 60 49.577 -2.549 -3.930 495 2HG GLN 60 HG1 GLN 60 50.255 -3.911 -4.821 496 1HE2 GLN 60 HE22 GLN 60 46.900 -2.258 -6.543 497 2HE2 GLN 60 HE21 GLN 60 46.909 -2.564 -4.874 498 H LYS 61 HN LYS 61 50.659 -4.833 -3.283 499 HA LYS 61 HA LYS 61 52.934 -4.653 -2.688 500 1HB LYS 61 HB2 LYS 61 51.639 -2.059 -1.815 501 2HB LYS 61 HB1 LYS 61 53.378 -2.274 -1.877 502 1HG LYS 61 HG2 LYS 61 52.611 -3.265 -4.316 503 2HG LYS 61 HG1 LYS 61 51.450 -1.968 -4.074 504 1HD LYS 61 HD2 LYS 61 53.284 -0.373 -3.687 505 2HD LYS 61 HD1 LYS 61 54.459 -1.675 -3.881 506 1HE LYS 61 HE2 LYS 61 54.106 -1.841 -6.172 507 2HE LYS 61 HE1 LYS 61 52.449 -1.214 -6.063 508 1HZ LYS 61 HZ1 LYS 61 53.440 0.921 -5.293 509 2HZ LYS 61 HZ3 LYS 61 54.972 0.307 -5.683 510 3HZ LYS 61 HZ2 LYS 61 53.812 0.534 -6.904 511 H ARG 62 HN ARG 62 51.696 -2.744 0.012 512 HA ARG 62 HA ARG 62 53.222 -3.748 2.074 513 1HB ARG 62 HB2 ARG 62 50.317 -2.923 1.902 514 2HB ARG 62 HB1 ARG 62 51.098 -3.245 3.450 515 1HG ARG 62 HG2 ARG 62 52.223 -1.301 1.423 516 2HG ARG 62 HG1 ARG 62 51.113 -0.810 2.702 517 1HD ARG 62 HD2 ARG 62 53.784 -2.194 3.143 518 2HD ARG 62 HD1 ARG 62 53.454 -0.472 3.424 519 HE ARG 62 HE ARG 62 51.833 -1.144 5.168 520 1HH1 ARG 62 HH11 ARG 62 54.611 -2.947 4.746 521 2HH1 ARG 62 HH12 ARG 62 54.090 -4.311 5.678 522 1HH2 ARG 62 HH21 ARG 62 50.828 -3.181 5.996 523 2HH2 ARG 62 HH22 ARG 62 51.948 -4.444 6.386 524 H ALA 63 HN ALA 63 50.427 -5.269 0.555 525 HA ALA 63 HA ALA 63 50.644 -7.610 2.399 526 1HB ALA 63 HB2 ALA 63 48.578 -6.343 0.652 527 2HB ALA 63 HB1 ALA 63 48.484 -8.093 0.858 528 3HB ALA 63 HB3 ALA 63 48.404 -7.033 2.266 529 H ALA 64 HN ALA 64 51.312 -6.497 -0.797 530 HA ALA 64 HA ALA 64 51.494 -9.166 -2.020 531 1HB ALA 64 HB3 ALA 64 52.268 -6.374 -2.925 532 2HB ALA 64 HB2 ALA 64 52.216 -7.795 -3.967 533 3HB ALA 64 HB1 ALA 64 50.730 -7.170 -3.253 534 H TYR 65 HN TYR 65 53.691 -6.646 -0.805 535 HA TYR 65 HA TYR 65 56.052 -8.235 -1.624 536 1HB TYR 65 HB2 TYR 65 55.348 -5.524 -1.103 537 2HB TYR 65 HB1 TYR 65 56.645 -5.960 0.001 538 HD1 TYR 65 HD2 TYR 65 55.751 -6.762 -3.558 539 HD2 TYR 65 HD1 TYR 65 58.779 -5.467 -0.800 540 HE1 TYR 65 HE2 TYR 65 57.386 -6.627 -5.417 541 HE2 TYR 65 HE1 TYR 65 60.414 -5.333 -2.659 542 HH TYR 65 HH TYR 65 60.731 -5.530 -4.843 543 H ASP 66 HN ASP 66 54.304 -7.289 1.312 544 HA ASP 66 HA ASP 66 56.262 -8.243 3.171 545 1HB ASP 66 HB2 ASP 66 54.543 -7.873 4.771 546 2HB ASP 66 HB1 ASP 66 54.184 -6.726 3.481 547 H GLN 67 HN GLN 67 53.975 -9.840 1.116 548 HA GLN 67 HA GLN 67 54.147 -12.377 2.668 549 1HB GLN 67 HB2 GLN 67 52.289 -13.044 1.286 550 2HB GLN 67 HB1 GLN 67 51.989 -11.372 1.764 551 1HG GLN 67 HG2 GLN 67 51.617 -11.155 -0.497 552 2HG GLN 67 HG1 GLN 67 53.364 -10.897 -0.487 553 1HE2 GLN 67 HE22 GLN 67 52.408 -13.624 -2.958 554 2HE2 GLN 67 HE21 GLN 67 51.820 -12.049 -2.725 555 H TYR 68 HN TYR 68 55.346 -10.827 -0.232 556 HA TYR 68 HA TYR 68 56.288 -13.373 -1.413 557 1HB TYR 68 HB2 TYR 68 55.696 -10.685 -2.233 558 2HB TYR 68 HB1 TYR 68 57.358 -11.062 -2.693 559 HD1 TYR 68 HD2 TYR 68 57.529 -13.721 -3.482 560 HD2 TYR 68 HD1 TYR 68 54.145 -11.110 -3.910 561 HE1 TYR 68 HE2 TYR 68 56.696 -15.108 -5.361 562 HE2 TYR 68 HE1 TYR 68 53.312 -12.498 -5.789 563 HH TYR 68 HH TYR 68 54.150 -15.488 -6.376 564 H GLY 69 HN GLY 69 58.751 -12.336 -2.463 565 1HA GLY 69 HA2 GLY 69 60.729 -11.187 -1.174 566 2HA GLY 69 HA1 GLY 69 60.415 -12.464 0.003 567 H HIS 70 HN HIS 70 59.936 -14.654 -1.583 568 HA HIS 70 HA HIS 70 62.125 -14.887 -3.568 569 1HB HIS 70 HB2 HIS 70 62.489 -15.469 -0.852 570 2HB HIS 70 HB1 HIS 70 62.262 -17.039 -1.621 571 HD1 HIS 70 HD1 HIS 70 64.604 -14.128 -1.469 572 HD2 HIS 70 HD2 HIS 70 64.261 -17.714 -3.566 573 HE1 HIS 70 HE1 HIS 70 66.828 -14.499 -2.624 574 H ALA 71 HN ALA 71 60.336 -15.404 -5.004 575 HA ALA 71 HA ALA 71 58.767 -16.869 -6.016 576 1HB ALA 71 HB3 ALA 71 61.130 -18.022 -5.778 577 2HB ALA 71 HB2 ALA 71 60.290 -19.050 -4.617 578 3HB ALA 71 HB1 ALA 71 59.741 -18.980 -6.292 579 H ALA 72 HN ALA 72 58.272 -15.949 -3.165 580 HA ALA 72 HA ALA 72 57.310 -17.764 -1.348 581 1HB ALA 72 HB2 ALA 72 57.150 -15.159 -1.560 582 2HB ALA 72 HB1 ALA 72 55.563 -15.485 -2.257 583 3HB ALA 72 HB3 ALA 72 55.928 -16.009 -0.613 584 H PHE 73 HN PHE 73 55.118 -16.456 -3.870 585 HA PHE 73 HA PHE 73 53.765 -19.135 -3.917 586 1HB PHE 73 HB2 PHE 73 52.840 -16.485 -3.294 587 2HB PHE 73 HB1 PHE 73 52.019 -17.046 -4.751 588 HD1 PHE 73 HD1 PHE 73 52.657 -17.748 -1.179 589 HD2 PHE 73 HD2 PHE 73 50.516 -18.945 -4.703 590 HE1 PHE 73 HE1 PHE 73 51.215 -19.222 0.199 591 HE2 PHE 73 HE2 PHE 73 49.073 -20.418 -3.325 592 HZ PHE 73 HZ PHE 73 49.423 -20.558 -0.875 593 H GLU 74 HN GLU 74 54.323 -20.065 -5.860 594 HA GLU 74 HA GLU 74 54.007 -18.408 -8.328 595 1HB GLU 74 HB2 GLU 74 56.113 -19.375 -9.164 596 2HB GLU 74 HB1 GLU 74 56.394 -18.546 -7.633 597 1HG GLU 74 HG2 GLU 74 57.051 -20.455 -6.631 598 2HG GLU 74 HG1 GLU 74 55.623 -21.315 -7.204 599 H GLN 75 HN GLN 75 51.913 -19.878 -7.871 600 HA GLN 75 HA GLN 75 52.336 -22.606 -9.025 601 1HB GLN 75 HB2 GLN 75 50.464 -21.298 -7.119 602 2HB GLN 75 HB1 GLN 75 49.774 -22.555 -8.146 603 1HG GLN 75 HG2 GLN 75 51.733 -24.029 -7.453 604 2HG GLN 75 HG1 GLN 75 52.109 -22.807 -6.237 605 1HE2 GLN 75 HE22 GLN 75 48.744 -23.405 -4.695 606 2HE2 GLN 75 HE21 GLN 75 49.493 -22.069 -5.426 607 H GLY 76 HN GLY 76 52.526 -21.559 -11.222 608 1HA GLY 76 HA2 GLY 76 51.031 -21.802 -13.216 609 2HA GLY 76 HA1 GLY 76 49.817 -20.899 -12.307 610 H GLY 77 HN GLY 77 51.771 -18.995 -11.212 611 1HA GLY 77 HA2 GLY 77 53.422 -17.650 -12.949 612 2HA GLY 77 HA1 GLY 77 51.815 -17.154 -13.484 No H/Q in entry = 612 Start of MODEL 10 1 1H ALA 1 HT2 ALA 1 68.048 -11.368 7.566 2 2H ALA 1 HT1 ALA 1 69.313 -12.282 8.238 3 3H ALA 1 HT3 ALA 1 69.382 -11.810 6.610 4 HA ALA 1 HA ALA 1 68.638 -13.916 6.263 5 1HB ALA 1 HB3 ALA 1 68.913 -14.370 8.676 6 2HB ALA 1 HB2 ALA 1 67.350 -13.617 8.997 7 3HB ALA 1 HB1 ALA 1 67.434 -15.115 8.069 8 H LYS 2 HN LYS 2 65.980 -12.475 8.192 9 HA LYS 2 HA LYS 2 64.436 -11.967 5.708 10 1HB LYS 2 HB2 LYS 2 64.258 -14.359 7.194 11 2HB LYS 2 HB1 LYS 2 62.820 -13.431 7.617 12 1HG LYS 2 HG2 LYS 2 63.742 -14.069 4.798 13 2HG LYS 2 HG1 LYS 2 62.393 -14.833 5.637 14 1HD LYS 2 HD2 LYS 2 61.165 -12.765 5.716 15 2HD LYS 2 HD1 LYS 2 62.561 -11.851 5.144 16 1HE LYS 2 HE2 LYS 2 62.469 -13.274 3.019 17 2HE LYS 2 HE1 LYS 2 60.880 -13.830 3.582 18 1HZ LYS 2 HZ3 LYS 2 60.407 -11.370 3.958 19 2HZ LYS 2 HZ2 LYS 2 61.747 -11.072 2.955 20 3HZ LYS 2 HZ1 LYS 2 60.402 -11.921 2.354 21 H GLN 3 HN GLN 3 64.718 -9.735 6.588 22 HA GLN 3 HA GLN 3 62.911 -9.175 8.924 23 1HB GLN 3 HB2 GLN 3 65.228 -7.537 7.848 24 2HB GLN 3 HB1 GLN 3 64.380 -7.301 9.377 25 1HG GLN 3 HG2 GLN 3 65.841 -9.863 8.701 26 2HG GLN 3 HG1 GLN 3 66.615 -8.517 9.539 27 1HE2 GLN 3 HE22 GLN 3 65.458 -10.277 12.442 28 2HE2 GLN 3 HE21 GLN 3 66.806 -10.044 11.436 29 H ASP 4 HN ASP 4 61.237 -7.813 8.568 30 HA ASP 4 HA ASP 4 60.112 -7.216 6.119 31 1HB ASP 4 HB2 ASP 4 59.321 -6.895 8.540 32 2HB ASP 4 HB1 ASP 4 60.134 -5.332 8.482 33 H TYR 5 HN TYR 5 60.061 -5.178 4.851 34 HA TYR 5 HA TYR 5 62.713 -3.798 4.888 35 1HB TYR 5 HB2 TYR 5 61.148 -3.244 2.532 36 2HB TYR 5 HB1 TYR 5 62.683 -4.099 2.659 37 HD1 TYR 5 HD1 TYR 5 62.699 -6.565 3.109 38 HD2 TYR 5 HD2 TYR 5 59.081 -4.426 2.225 39 HE1 TYR 5 HE1 TYR 5 61.563 -8.705 2.597 40 HE2 TYR 5 HE2 TYR 5 57.943 -6.570 1.711 41 HH TYR 5 HH TYR 5 59.492 -9.663 2.335 42 H TYR 6 HN TYR 6 60.003 -3.234 6.365 43 HA TYR 6 HA TYR 6 59.326 -0.540 5.398 44 1HB TYR 6 HB2 TYR 6 57.440 -0.985 6.571 45 2HB TYR 6 HB1 TYR 6 58.089 -2.600 6.814 46 HD1 TYR 6 HD1 TYR 6 58.688 0.834 8.260 47 HD2 TYR 6 HD2 TYR 6 58.020 -3.342 9.005 48 HE1 TYR 6 HE1 TYR 6 58.796 1.245 10.695 49 HE2 TYR 6 HE2 TYR 6 58.126 -2.918 11.444 50 HH TYR 6 HH TYR 6 58.935 -1.342 13.003 51 H GLU 7 HN GLU 7 60.729 -2.007 8.308 52 HA GLU 7 HA GLU 7 61.576 0.446 9.525 53 1HB GLU 7 HB2 GLU 7 61.583 -2.380 9.975 54 2HB GLU 7 HB1 GLU 7 63.228 -1.796 10.226 55 1HG GLU 7 HG2 GLU 7 61.180 -0.051 11.411 56 2HG GLU 7 HG1 GLU 7 61.205 -1.675 12.100 57 H ILE 8 HN ILE 8 62.946 -1.650 7.079 58 HA ILE 8 HA ILE 8 65.680 -1.095 7.204 59 HB ILE 8 HB ILE 8 63.656 -1.709 5.096 60 1HG1 ILE 8 HG12 ILE 8 65.092 -3.660 4.794 61 2HG1 ILE 8 HG11 ILE 8 66.328 -2.944 5.829 62 1HG2 ILE 8 HG21 ILE 8 66.307 -0.443 4.575 63 2HG2 ILE 8 HG23 ILE 8 65.834 -1.796 3.546 64 3HG2 ILE 8 HG22 ILE 8 64.817 -0.357 3.634 65 1HD1 ILE 8 HD13 ILE 8 63.528 -3.382 6.849 66 2HD1 ILE 8 HD12 ILE 8 64.715 -4.684 6.884 67 3HD1 ILE 8 HD11 ILE 8 65.017 -3.191 7.771 68 H LEU 9 HN LEU 9 63.053 0.982 5.993 69 HA LEU 9 HA LEU 9 65.037 3.073 5.248 70 1HB LEU 9 HB2 LEU 9 62.008 2.982 5.039 71 2HB LEU 9 HB1 LEU 9 63.069 4.146 4.252 72 HG LEU 9 HG LEU 9 62.694 2.615 2.532 73 1HD1 LEU 9 HD13 LEU 9 65.105 1.537 4.021 74 2HD1 LEU 9 HD12 LEU 9 64.731 1.198 2.333 75 3HD1 LEU 9 HD11 LEU 9 65.107 2.845 2.838 76 1HD2 LEU 9 HD21 LEU 9 61.557 1.026 4.281 77 2HD2 LEU 9 HD23 LEU 9 62.209 0.343 2.791 78 3HD2 LEU 9 HD22 LEU 9 63.124 0.216 4.293 79 H GLY 10 HN GLY 10 64.519 2.278 8.106 80 1HA GLY 10 HA2 GLY 10 63.971 3.295 10.166 81 2HA GLY 10 HA1 GLY 10 64.603 4.750 9.389 82 H VAL 11 HN VAL 11 61.655 2.729 9.287 83 HA VAL 11 HA VAL 11 60.037 5.257 9.304 84 HB VAL 11 HB VAL 11 59.269 2.797 7.735 85 1HG1 VAL 11 HG11 VAL 11 58.116 5.291 8.177 86 2HG1 VAL 11 HG13 VAL 11 58.821 5.425 6.567 87 3HG1 VAL 11 HG12 VAL 11 57.664 4.140 6.919 88 1HG2 VAL 11 HG23 VAL 11 61.195 4.970 6.854 89 2HG2 VAL 11 HG22 VAL 11 61.526 3.241 6.965 90 3HG2 VAL 11 HG21 VAL 11 60.404 3.847 5.749 91 H SER 12 HN SER 12 57.568 3.733 9.122 92 HA SER 12 HA SER 12 57.572 2.215 11.701 93 1HB SER 12 HB2 SER 12 56.474 4.730 11.133 94 2HB SER 12 HB1 SER 12 55.103 3.626 11.061 95 HG SER 12 HG SER 12 55.285 4.118 13.174 96 H LYS 13 HN LYS 13 56.838 2.270 8.383 97 HA LYS 13 HA LYS 13 55.911 0.590 7.017 98 1HB LYS 13 HB2 LYS 13 56.036 -1.438 7.971 99 2HB LYS 13 HB1 LYS 13 56.391 -0.625 9.491 100 1HG LYS 13 HG2 LYS 13 53.902 -0.467 9.905 101 2HG LYS 13 HG1 LYS 13 53.662 -1.478 8.480 102 1HD LYS 13 HD2 LYS 13 54.568 -3.360 9.489 103 2HD LYS 13 HD1 LYS 13 55.571 -2.413 10.590 104 1HE LYS 13 HE2 LYS 13 53.372 -1.642 11.684 105 2HE LYS 13 HE1 LYS 13 52.604 -2.968 10.786 106 1HZ LYS 13 HZ3 LYS 13 55.079 -3.397 12.344 107 2HZ LYS 13 HZ2 LYS 13 53.553 -3.502 13.084 108 3HZ LYS 13 HZ1 LYS 13 53.955 -4.548 11.807 109 H THR 14 HN THR 14 54.054 1.880 9.737 110 HA THR 14 HA THR 14 51.497 1.526 8.313 111 HB THR 14 HB THR 14 50.591 2.423 10.386 112 HG1 THR 14 HG1 THR 14 53.272 3.214 10.794 113 1HG2 THR 14 HG21 THR 14 52.073 0.129 10.261 114 2HG2 THR 14 HG23 THR 14 52.854 0.968 11.602 115 3HG2 THR 14 HG22 THR 14 51.126 0.620 11.666 116 H ALA 15 HN ALA 15 54.122 3.618 8.281 117 HA ALA 15 HA ALA 15 52.903 6.203 8.023 118 1HB ALA 15 HB1 ALA 15 55.443 5.028 8.114 119 2HB ALA 15 HB3 ALA 15 55.350 5.701 6.487 120 3HB ALA 15 HB2 ALA 15 55.117 6.747 7.888 121 H GLU 16 HN GLU 16 53.916 7.110 5.606 122 HA GLU 16 HA GLU 16 52.812 5.439 3.428 123 1HB GLU 16 HB2 GLU 16 51.786 8.206 4.179 124 2HB GLU 16 HB1 GLU 16 51.276 7.279 2.764 125 1HG GLU 16 HG2 GLU 16 50.531 5.447 4.313 126 2HG GLU 16 HG1 GLU 16 50.891 6.515 5.671 127 H GLU 17 HN GLU 17 52.888 8.718 2.645 128 HA GLU 17 HA GLU 17 55.496 8.413 1.278 129 1HB GLU 17 HB2 GLU 17 53.053 10.103 1.125 130 2HB GLU 17 HB1 GLU 17 54.560 10.894 0.662 131 1HG GLU 17 HG2 GLU 17 54.927 8.650 -0.707 132 2HG GLU 17 HG1 GLU 17 53.167 8.574 -0.616 133 H ARG 18 HN ARG 18 53.876 10.556 3.583 134 HA ARG 18 HA ARG 18 55.675 12.510 4.152 135 1HB ARG 18 HB2 ARG 18 54.850 12.203 6.577 136 2HB ARG 18 HB1 ARG 18 53.627 12.422 5.328 137 1HG ARG 18 HG2 ARG 18 52.754 10.582 6.433 138 2HG ARG 18 HG1 ARG 18 53.740 9.761 5.229 139 1HD ARG 18 HD2 ARG 18 54.684 8.697 7.011 140 2HD ARG 18 HD1 ARG 18 55.547 10.225 7.284 141 HE ARG 18 HE ARG 18 52.814 9.922 8.425 142 1HH1 ARG 18 HH21 ARG 18 54.597 12.230 9.107 143 2HH1 ARG 18 HH22 ARG 18 55.254 11.745 10.635 144 1HH2 ARG 18 HH11 ARG 18 54.360 8.415 10.259 145 2HH2 ARG 18 HH12 ARG 18 55.117 9.584 11.289 146 H GLU 19 HN GLU 19 56.055 9.154 5.432 147 HA GLU 19 HA GLU 19 58.615 10.053 6.640 148 1HB GLU 19 HB2 GLU 19 56.647 8.114 7.250 149 2HB GLU 19 HB1 GLU 19 58.118 7.224 6.841 150 1HG GLU 19 HG2 GLU 19 59.163 7.897 8.715 151 2HG GLU 19 HG1 GLU 19 58.698 9.577 8.446 152 H ILE 20 HN ILE 20 57.461 7.542 4.399 153 HA ILE 20 HA ILE 20 59.940 6.576 3.582 154 HB ILE 20 HB ILE 20 57.192 6.689 2.656 155 1HG1 ILE 20 HG12 ILE 20 57.681 4.389 2.063 156 2HG1 ILE 20 HG11 ILE 20 59.412 4.701 2.168 157 1HG2 ILE 20 HG22 ILE 20 59.378 6.946 0.617 158 2HG2 ILE 20 HG21 ILE 20 57.993 5.913 0.264 159 3HG2 ILE 20 HG23 ILE 20 57.752 7.629 0.597 160 1HD1 ILE 20 HD13 ILE 20 59.166 5.219 4.576 161 2HD1 ILE 20 HD12 ILE 20 57.441 4.872 4.466 162 3HD1 ILE 20 HD11 ILE 20 58.618 3.584 4.209 163 H ARG 21 HN ARG 21 58.574 9.766 3.066 164 HA ARG 21 HA ARG 21 60.415 10.327 0.842 165 1HB ARG 21 HB2 ARG 21 59.059 12.170 0.491 166 2HB ARG 21 HB1 ARG 21 57.936 11.199 1.436 167 1HG ARG 21 HG2 ARG 21 58.636 12.368 3.490 168 2HG ARG 21 HG1 ARG 21 59.785 13.329 2.558 169 1HD ARG 21 HD2 ARG 21 57.320 13.603 1.207 170 2HD ARG 21 HD1 ARG 21 56.951 13.788 2.933 171 HE ARG 21 HE ARG 21 58.899 15.448 1.407 172 1HH1 ARG 21 HH11 ARG 21 59.488 14.748 4.374 173 2HH1 ARG 21 HH12 ARG 21 58.878 16.171 5.150 174 1HH2 ARG 21 HH21 ARG 21 57.119 17.259 2.365 175 2HH2 ARG 21 HH22 ARG 21 57.537 17.593 4.013 176 H LYS 22 HN LYS 22 60.344 10.703 4.277 177 HA LYS 22 HA LYS 22 62.772 12.433 4.181 178 1HB LYS 22 HB2 LYS 22 60.430 12.687 5.587 179 2HB LYS 22 HB1 LYS 22 61.425 11.807 6.748 180 1HG LYS 22 HG2 LYS 22 62.434 14.264 5.306 181 2HG LYS 22 HG1 LYS 22 61.576 14.363 6.845 182 1HD LYS 22 HD2 LYS 22 64.157 12.874 6.296 183 2HD LYS 22 HD1 LYS 22 63.953 14.301 7.313 184 1HE LYS 22 HE2 LYS 22 62.183 12.753 8.560 185 2HE LYS 22 HE1 LYS 22 63.181 11.458 7.869 186 1HZ LYS 22 HZ1 LYS 22 65.120 12.959 8.665 187 2HZ LYS 22 HZ3 LYS 22 63.962 13.614 9.718 188 3HZ LYS 22 HZ2 LYS 22 64.330 11.956 9.787 189 H ALA 23 HN ALA 23 61.452 9.326 4.880 190 HA ALA 23 HA ALA 23 63.715 8.374 6.512 191 1HB ALA 23 HB1 ALA 23 61.076 7.690 6.177 192 2HB ALA 23 HB3 ALA 23 61.872 6.477 5.172 193 3HB ALA 23 HB2 ALA 23 62.284 6.617 6.882 194 H TYR 24 HN TYR 24 62.397 7.763 3.234 195 HA TYR 24 HA TYR 24 64.402 6.056 2.238 196 1HB TYR 24 HB2 TYR 24 62.429 6.541 0.954 197 2HB TYR 24 HB1 TYR 24 62.746 8.275 1.013 198 HD1 TYR 24 HD2 TYR 24 65.579 6.035 0.535 199 HD2 TYR 24 HD1 TYR 24 62.573 8.355 -1.471 200 HE1 TYR 24 HE2 TYR 24 66.875 5.890 -1.574 201 HE2 TYR 24 HE1 TYR 24 63.868 8.211 -3.580 202 HH TYR 24 HH TYR 24 66.657 6.132 -3.887 203 H LYS 25 HN LYS 25 64.227 9.617 2.173 204 HA LYS 25 HA LYS 25 66.865 10.039 1.094 205 1HB LYS 25 HB2 LYS 25 64.808 11.592 1.198 206 2HB LYS 25 HB1 LYS 25 65.271 11.905 2.871 207 1HG LYS 25 HG2 LYS 25 67.531 12.600 2.076 208 2HG LYS 25 HG1 LYS 25 66.979 12.395 0.414 209 1HD LYS 25 HD2 LYS 25 65.918 14.386 0.435 210 2HD LYS 25 HD1 LYS 25 65.114 14.010 1.960 211 1HE LYS 25 HE2 LYS 25 66.639 15.188 3.180 212 2HE LYS 25 HE1 LYS 25 68.004 14.570 2.229 213 1HZ LYS 25 HZ1 LYS 25 67.050 15.990 0.359 214 2HZ LYS 25 HZ3 LYS 25 66.154 16.781 1.563 215 3HZ LYS 25 HZ2 LYS 25 67.852 16.806 1.615 216 H ARG 26 HN ARG 26 65.519 9.991 4.417 217 HA ARG 26 HA ARG 26 67.832 10.785 5.856 218 1HB ARG 26 HB2 ARG 26 65.372 9.224 6.301 219 2HB ARG 26 HB1 ARG 26 66.690 8.777 7.380 220 1HG ARG 26 HG2 ARG 26 66.662 11.621 7.207 221 2HG ARG 26 HG1 ARG 26 65.008 11.090 7.517 222 1HD ARG 26 HD2 ARG 26 66.187 11.391 9.657 223 2HD ARG 26 HD1 ARG 26 65.883 9.661 9.399 224 HE ARG 26 HE ARG 26 68.331 10.064 8.180 225 1HH1 ARG 26 HH21 ARG 26 67.368 8.999 11.084 226 2HH1 ARG 26 HH22 ARG 26 68.701 9.605 12.010 227 1HH2 ARG 26 HH11 ARG 26 69.902 11.617 9.454 228 2HH2 ARG 26 HH12 ARG 26 70.135 11.087 11.087 229 H LEU 27 HN LEU 27 66.855 7.423 5.072 230 HA LEU 27 HA LEU 27 69.379 6.290 5.915 231 1HB LEU 27 HB2 LEU 27 66.792 5.462 5.079 232 2HB LEU 27 HB1 LEU 27 67.958 4.662 4.023 233 HG LEU 27 HG LEU 27 67.549 3.308 6.040 234 1HD1 LEU 27 HD13 LEU 27 69.868 3.590 4.911 235 2HD1 LEU 27 HD12 LEU 27 70.284 4.548 6.331 236 3HD1 LEU 27 HD11 LEU 27 69.818 2.857 6.516 237 1HD2 LEU 27 HD22 LEU 27 68.269 5.909 7.374 238 2HD2 LEU 27 HD21 LEU 27 66.943 4.804 7.740 239 3HD2 LEU 27 HD23 LEU 27 68.593 4.383 8.197 240 H ALA 28 HN ALA 28 68.239 7.712 2.930 241 HA ALA 28 HA ALA 28 70.174 6.444 1.180 242 1HB ALA 28 HB2 ALA 28 68.423 8.890 1.104 243 2HB ALA 28 HB1 ALA 28 69.557 8.541 -0.202 244 3HB ALA 28 HB3 ALA 28 68.267 7.399 0.174 245 H MET 29 HN MET 29 70.203 9.125 3.398 246 HA MET 29 HA MET 29 72.255 10.784 2.524 247 1HB MET 29 HB2 MET 29 70.934 10.831 4.656 248 2HB MET 29 HB1 MET 29 71.958 9.524 5.253 249 1HG MET 29 HG2 MET 29 73.870 10.877 5.334 250 2HG MET 29 HG1 MET 29 73.200 12.057 4.207 251 1HE MET 29 HE3 MET 29 74.719 12.662 6.712 252 2HE MET 29 HE2 MET 29 73.830 13.178 8.143 253 3HE MET 29 HE1 MET 29 74.066 11.460 7.833 254 H LYS 30 HN LYS 30 72.477 7.675 4.153 255 HA LYS 30 HA LYS 30 75.253 7.300 4.396 256 1HB LYS 30 HB2 LYS 30 72.749 5.838 4.383 257 2HB LYS 30 HB1 LYS 30 74.026 4.877 3.630 258 1HG LYS 30 HG2 LYS 30 75.303 4.786 5.559 259 2HG LYS 30 HG1 LYS 30 74.653 6.302 6.184 260 1HD LYS 30 HD2 LYS 30 72.407 4.702 6.054 261 2HD LYS 30 HD1 LYS 30 73.661 3.560 6.536 262 1HE LYS 30 HE2 LYS 30 74.323 5.534 8.212 263 2HE LYS 30 HE1 LYS 30 72.606 5.940 8.011 264 1HZ LYS 30 HZ2 LYS 30 72.274 3.409 8.281 265 2HZ LYS 30 HZ1 LYS 30 73.810 3.439 9.007 266 3HZ LYS 30 HZ3 LYS 30 72.542 4.349 9.671 267 H TYR 31 HN TYR 31 73.246 7.442 1.599 268 HA TYR 31 HA TYR 31 75.529 6.430 -0.089 269 1HB TYR 31 HB2 TYR 31 72.598 6.133 -0.758 270 2HB TYR 31 HB1 TYR 31 73.967 5.225 -1.407 271 HD1 TYR 31 HD1 TYR 31 75.501 4.316 0.791 272 HD2 TYR 31 HD2 TYR 31 71.238 4.787 0.567 273 HE1 TYR 31 HE1 TYR 31 75.221 2.619 2.576 274 HE2 TYR 31 HE2 TYR 31 70.958 3.088 2.351 275 HH TYR 31 HH TYR 31 72.454 2.218 4.307 276 H HIS 32 HN HIS 32 73.167 8.914 0.432 277 HA HIS 32 HA HIS 32 72.604 10.147 -1.930 278 1HB HIS 32 HB2 HIS 32 73.223 10.927 0.807 279 2HB HIS 32 HB1 HIS 32 73.622 12.212 -0.337 280 HD1 HIS 32 HD1 HIS 32 71.522 13.529 0.671 281 HD2 HIS 32 HD2 HIS 32 70.598 10.025 -1.390 282 HE1 HIS 32 HE1 HIS 32 69.036 13.614 0.190 283 HA PRO 33 HA PRO 33 76.083 11.249 -4.313 284 1HB PRO 33 HB2 PRO 33 75.691 13.943 -4.766 285 2HB PRO 33 HB1 PRO 33 74.782 12.653 -5.584 286 1HG PRO 33 HG2 PRO 33 74.029 14.228 -3.152 287 2HG PRO 33 HG1 PRO 33 73.064 13.871 -4.599 288 1HD PRO 33 HD2 PRO 33 72.699 12.429 -2.419 289 2HD PRO 33 HD1 PRO 33 72.779 11.618 -4.004 290 H ASP 34 HN ASP 34 77.512 13.721 -4.362 291 HA ASP 34 HA ASP 34 79.249 14.835 -3.187 292 1HB ASP 34 HB2 ASP 34 77.184 14.995 -1.526 293 2HB ASP 34 HB1 ASP 34 78.073 13.773 -0.618 294 H ARG 35 HN ARG 35 78.448 12.020 -1.134 295 HA ARG 35 HA ARG 35 81.203 11.042 -1.185 296 1HB ARG 35 HB2 ARG 35 80.349 9.571 0.438 297 2HB ARG 35 HB1 ARG 35 79.230 10.918 0.602 298 1HG ARG 35 HG2 ARG 35 77.626 9.797 -0.878 299 2HG ARG 35 HG1 ARG 35 78.748 8.461 -1.121 300 1HD ARG 35 HD2 ARG 35 77.293 9.231 1.426 301 2HD ARG 35 HD1 ARG 35 77.288 7.669 0.584 302 HE ARG 35 HE ARG 35 79.822 7.650 1.138 303 1HH1 ARG 35 HH21 ARG 35 80.942 9.305 2.719 304 2HH1 ARG 35 HH22 ARG 35 80.293 9.195 4.321 305 1HH2 ARG 35 HH11 ARG 35 77.449 7.474 3.332 306 2HH2 ARG 35 HH12 ARG 35 78.310 8.164 4.666 307 H ASN 36 HN ASN 36 78.173 10.631 -2.826 308 HA ASN 36 HA ASN 36 79.064 8.290 -4.389 309 1HB ASN 36 HB2 ASN 36 76.561 9.620 -3.480 310 2HB ASN 36 HB1 ASN 36 76.501 9.010 -5.123 311 1HD2 ASN 36 HD22 ASN 36 75.589 5.912 -3.686 312 2HD2 ASN 36 HD21 ASN 36 75.073 7.239 -4.610 313 H GLN 37 HN GLN 37 77.358 9.123 -6.591 314 HA GLN 37 HA GLN 37 78.365 11.665 -7.628 315 1HB GLN 37 HB2 GLN 37 79.190 8.975 -8.753 316 2HB GLN 37 HB1 GLN 37 79.466 10.514 -9.573 317 1HG GLN 37 HG2 GLN 37 80.679 11.280 -7.469 318 2HG GLN 37 HG1 GLN 37 80.610 9.603 -6.924 319 1HE2 GLN 37 HE22 GLN 37 83.833 10.014 -8.749 320 2HE2 GLN 37 HE21 GLN 37 83.149 10.661 -7.338 321 H GLY 38 HN GLY 38 75.942 11.747 -7.423 322 1HA GLY 38 HA2 GLY 38 73.924 11.931 -8.648 323 2HA GLY 38 HA1 GLY 38 74.721 11.133 -10.010 324 H ASP 39 HN ASP 39 75.565 8.789 -9.084 325 HA ASP 39 HA ASP 39 73.469 7.453 -7.484 326 1HB ASP 39 HB2 ASP 39 73.935 7.063 -10.444 327 2HB ASP 39 HB1 ASP 39 73.202 5.798 -9.457 328 H LYS 40 HN LYS 40 75.315 5.665 -9.804 329 HA LYS 40 HA LYS 40 77.077 4.161 -9.546 330 1HB LYS 40 HB2 LYS 40 77.751 6.308 -7.582 331 2HB LYS 40 HB1 LYS 40 78.877 5.025 -7.989 332 1HG LYS 40 HG2 LYS 40 77.667 7.038 -9.908 333 2HG LYS 40 HG1 LYS 40 79.344 6.997 -9.362 334 1HD LYS 40 HD2 LYS 40 79.826 5.600 -11.052 335 2HD LYS 40 HD1 LYS 40 78.735 4.405 -10.348 336 1HE LYS 40 HE2 LYS 40 76.836 5.368 -11.564 337 2HE LYS 40 HE1 LYS 40 77.882 6.644 -12.220 338 1HZ LYS 40 HZ3 LYS 40 78.694 3.834 -12.505 339 2HZ LYS 40 HZ2 LYS 40 77.518 4.454 -13.564 340 3HZ LYS 40 HZ1 LYS 40 79.061 5.162 -13.494 341 H GLU 41 HN GLU 41 76.704 5.235 -6.177 342 HA GLU 41 HA GLU 41 76.499 2.375 -5.374 343 1HB GLU 41 HB2 GLU 41 77.164 5.005 -4.077 344 2HB GLU 41 HB1 GLU 41 76.618 3.672 -3.059 345 1HG GLU 41 HG2 GLU 41 78.409 2.321 -4.502 346 2HG GLU 41 HG1 GLU 41 79.122 3.925 -4.668 347 H ALA 42 HN ALA 42 74.573 5.126 -5.973 348 HA ALA 42 HA ALA 42 72.381 4.342 -4.160 349 1HB ALA 42 HB1 ALA 42 73.268 6.712 -5.089 350 2HB ALA 42 HB3 ALA 42 72.088 6.353 -6.350 351 3HB ALA 42 HB2 ALA 42 71.576 6.453 -4.666 352 H GLU 43 HN GLU 43 73.457 3.814 -7.437 353 HA GLU 43 HA GLU 43 71.009 3.317 -8.771 354 1HB GLU 43 HB2 GLU 43 73.122 3.383 -9.928 355 2HB GLU 43 HB1 GLU 43 73.768 2.072 -8.938 356 1HG GLU 43 HG2 GLU 43 72.469 0.444 -10.007 357 2HG GLU 43 HG1 GLU 43 71.289 1.623 -10.582 358 H ALA 44 HN ALA 44 73.054 0.975 -6.979 359 HA ALA 44 HA ALA 44 70.964 -1.097 -7.154 360 1HB ALA 44 HB3 ALA 44 73.758 -0.883 -6.642 361 2HB ALA 44 HB2 ALA 44 73.032 -1.579 -5.194 362 3HB ALA 44 HB1 ALA 44 72.802 -2.361 -6.759 363 H LYS 45 HN LYS 45 72.383 0.954 -4.556 364 HA LYS 45 HA LYS 45 70.883 -0.003 -2.402 365 1HB LYS 45 HB2 LYS 45 72.428 2.290 -3.065 366 2HB LYS 45 HB1 LYS 45 70.933 2.862 -2.311 367 1HG LYS 45 HG2 LYS 45 71.732 2.241 -0.307 368 2HG LYS 45 HG1 LYS 45 71.773 0.567 -0.866 369 1HD LYS 45 HD2 LYS 45 73.968 2.047 -2.016 370 2HD LYS 45 HD1 LYS 45 73.987 2.201 -0.259 371 1HE LYS 45 HE2 LYS 45 73.785 -0.291 -0.074 372 2HE LYS 45 HE1 LYS 45 73.912 -0.393 -1.841 373 1HZ LYS 45 HZ1 LYS 45 75.944 1.178 -1.408 374 2HZ LYS 45 HZ3 LYS 45 75.929 0.441 0.118 375 3HZ LYS 45 HZ2 LYS 45 76.110 -0.508 -1.279 376 H PHE 46 HN PHE 46 69.777 1.919 -5.163 377 HA PHE 46 HA PHE 46 67.284 2.788 -4.042 378 1HB PHE 46 HB2 PHE 46 68.427 2.234 -6.760 379 2HB PHE 46 HB1 PHE 46 66.681 2.446 -6.636 380 HD1 PHE 46 HD2 PHE 46 69.166 4.066 -4.417 381 HD2 PHE 46 HD1 PHE 46 66.504 4.574 -7.749 382 HE1 PHE 46 HE2 PHE 46 69.469 6.522 -4.283 383 HE2 PHE 46 HE1 PHE 46 66.806 7.032 -7.614 384 HZ PHE 46 HZ PHE 46 68.289 8.006 -5.881 385 H LYS 47 HN LYS 47 68.424 -0.301 -5.216 386 HA LYS 47 HA LYS 47 65.822 -1.531 -5.282 387 1HB LYS 47 HB2 LYS 47 67.072 -3.413 -6.029 388 2HB LYS 47 HB1 LYS 47 68.061 -2.064 -6.571 389 1HG LYS 47 HG2 LYS 47 69.778 -2.775 -5.331 390 2HG LYS 47 HG1 LYS 47 68.792 -2.787 -3.871 391 1HD LYS 47 HD2 LYS 47 68.921 -5.032 -3.948 392 2HD LYS 47 HD1 LYS 47 67.856 -4.951 -5.352 393 1HE LYS 47 HE2 LYS 47 69.561 -5.336 -6.835 394 2HE LYS 47 HE1 LYS 47 70.740 -4.428 -5.868 395 1HZ LYS 47 HZ3 LYS 47 70.252 -6.349 -4.172 396 2HZ LYS 47 HZ2 LYS 47 69.852 -7.208 -5.581 397 3HZ LYS 47 HZ1 LYS 47 71.406 -6.548 -5.398 398 H GLU 48 HN GLU 48 68.001 -0.536 -2.905 399 HA GLU 48 HA GLU 48 67.206 -2.598 -0.988 400 1HB GLU 48 HB2 GLU 48 69.086 -0.229 -0.922 401 2HB GLU 48 HB1 GLU 48 68.768 -1.218 0.503 402 1HG GLU 48 HG2 GLU 48 69.321 -3.166 -1.293 403 2HG GLU 48 HG1 GLU 48 70.323 -1.866 -1.941 404 H ILE 49 HN ILE 49 66.744 0.829 -1.665 405 HA ILE 49 HA ILE 49 64.692 0.912 0.510 406 HB ILE 49 HB ILE 49 66.074 3.124 -1.019 407 1HG1 ILE 49 HG12 ILE 49 66.980 3.183 1.597 408 2HG1 ILE 49 HG11 ILE 49 66.981 1.461 1.194 409 1HG2 ILE 49 HG22 ILE 49 63.929 3.005 0.944 410 2HG2 ILE 49 HG21 ILE 49 65.243 4.069 1.437 411 3HG2 ILE 49 HG23 ILE 49 64.429 4.332 -0.101 412 1HD1 ILE 49 HD11 ILE 49 67.916 2.617 -1.118 413 2HD1 ILE 49 HD13 ILE 49 68.643 3.626 0.133 414 3HD1 ILE 49 HD12 ILE 49 68.926 1.885 0.129 415 H LYS 50 HN LYS 50 65.375 1.928 -2.855 416 HA LYS 50 HA LYS 50 62.692 2.876 -3.230 417 1HB LYS 50 HB2 LYS 50 65.113 3.035 -4.544 418 2HB LYS 50 HB1 LYS 50 64.204 1.958 -5.605 419 1HG LYS 50 HG2 LYS 50 62.455 4.068 -4.813 420 2HG LYS 50 HG1 LYS 50 63.968 4.798 -5.348 421 1HD LYS 50 HD2 LYS 50 62.734 4.577 -7.347 422 2HD LYS 50 HD1 LYS 50 63.796 3.169 -7.361 423 1HE LYS 50 HE2 LYS 50 61.901 1.866 -6.257 424 2HE LYS 50 HE1 LYS 50 60.858 3.258 -6.616 425 1HZ LYS 50 HZ3 LYS 50 61.587 3.125 -8.938 426 2HZ LYS 50 HZ2 LYS 50 62.491 1.733 -8.578 427 3HZ LYS 50 HZ1 LYS 50 60.798 1.705 -8.450 428 H GLU 51 HN GLU 51 64.230 -0.268 -3.386 429 HA GLU 51 HA GLU 51 61.951 -1.432 -4.900 430 1HB GLU 51 HB2 GLU 51 63.876 -2.528 -5.506 431 2HB GLU 51 HB1 GLU 51 64.679 -2.034 -4.037 432 1HG GLU 51 HG2 GLU 51 64.491 -4.433 -3.980 433 2HG GLU 51 HG1 GLU 51 63.367 -3.773 -2.790 434 H ALA 52 HN ALA 52 63.206 -1.022 -1.678 435 HA ALA 52 HA ALA 52 61.274 -2.858 -0.397 436 1HB ALA 52 HB3 ALA 52 63.481 -0.974 0.496 437 2HB ALA 52 HB2 ALA 52 62.487 -1.870 1.646 438 3HB ALA 52 HB1 ALA 52 63.508 -2.737 0.499 439 H TYR 53 HN TYR 53 62.128 0.586 -0.097 440 HA TYR 53 HA TYR 53 59.722 1.363 1.267 441 1HB TYR 53 HB2 TYR 53 61.086 3.111 1.638 442 2HB TYR 53 HB1 TYR 53 62.273 2.334 0.617 443 HD1 TYR 53 HD2 TYR 53 59.164 4.444 0.230 444 HD2 TYR 53 HD1 TYR 53 63.139 3.575 -1.105 445 HE1 TYR 53 HE2 TYR 53 59.068 6.340 -1.361 446 HE2 TYR 53 HE1 TYR 53 63.056 5.457 -2.682 447 HH TYR 53 HH TYR 53 60.206 7.598 -2.811 448 H GLU 54 HN GLU 54 60.110 0.446 -1.931 449 HA GLU 54 HA GLU 54 58.484 2.404 -3.291 450 1HB GLU 54 HB2 GLU 54 59.549 1.115 -4.843 451 2HB GLU 54 HB1 GLU 54 59.669 -0.263 -3.752 452 1HG GLU 54 HG2 GLU 54 57.670 -1.168 -4.469 453 2HG GLU 54 HG1 GLU 54 56.963 0.408 -4.826 454 H VAL 55 HN VAL 55 57.749 -0.443 -1.320 455 HA VAL 55 HA VAL 55 54.852 0.032 -1.867 456 HB VAL 55 HB VAL 55 54.696 -2.194 -2.116 457 1HG1 VAL 55 HG11 VAL 55 57.250 -1.862 -2.675 458 2HG1 VAL 55 HG13 VAL 55 57.465 -2.825 -1.215 459 3HG1 VAL 55 HG12 VAL 55 56.544 -3.467 -2.573 460 1HG2 VAL 55 HG23 VAL 55 55.845 -2.296 0.677 461 2HG2 VAL 55 HG22 VAL 55 54.169 -2.525 0.180 462 3HG2 VAL 55 HG21 VAL 55 55.374 -3.754 -0.198 463 H LEU 56 HN LEU 56 56.950 1.152 0.209 464 HA LEU 56 HA LEU 56 55.697 0.460 2.768 465 1HB LEU 56 HB2 LEU 56 58.009 1.829 1.703 466 2HB LEU 56 HB1 LEU 56 57.242 2.815 2.948 467 HG LEU 56 HG LEU 56 58.960 1.207 3.846 468 1HD1 LEU 56 HD11 LEU 56 56.672 2.033 4.962 469 2HD1 LEU 56 HD13 LEU 56 56.325 0.304 4.921 470 3HD1 LEU 56 HD12 LEU 56 57.745 0.898 5.781 471 1HD2 LEU 56 HD22 LEU 56 58.208 -0.593 2.134 472 2HD2 LEU 56 HD21 LEU 56 58.596 -1.131 3.767 473 3HD2 LEU 56 HD23 LEU 56 56.913 -0.939 3.279 474 H THR 57 HN THR 57 54.581 2.176 0.214 475 HA THR 57 HA THR 57 53.262 4.277 1.895 476 HB THR 57 HB THR 57 53.895 5.682 0.224 477 HG1 THR 57 HG1 THR 57 52.614 5.663 -1.449 478 1HG2 THR 57 HG22 THR 57 55.783 4.058 -0.121 479 2HG2 THR 57 HG21 THR 57 54.822 3.277 -1.375 480 3HG2 THR 57 HG23 THR 57 55.346 4.949 -1.578 481 H ASP 58 HN ASP 58 52.823 1.605 -0.325 482 HA ASP 58 HA ASP 58 49.883 2.028 -0.433 483 1HB ASP 58 HB2 ASP 58 51.328 1.512 -2.437 484 2HB ASP 58 HB1 ASP 58 51.658 -0.073 -1.723 485 H SER 59 HN SER 59 48.544 -0.027 -0.109 486 HA SER 59 HA SER 59 49.548 -1.498 2.298 487 1HB SER 59 HB2 SER 59 46.725 -1.114 1.255 488 2HB SER 59 HB1 SER 59 47.188 -1.722 2.841 489 HG SER 59 HG SER 59 46.811 0.786 2.087 490 H GLN 60 HN GLN 60 47.785 -1.923 -0.773 491 HA GLN 60 HA GLN 60 47.404 -4.726 -0.723 492 1HB GLN 60 HB2 GLN 60 47.326 -4.440 -3.193 493 2HB GLN 60 HB1 GLN 60 46.462 -3.141 -2.367 494 1HG GLN 60 HG2 GLN 60 48.858 -1.991 -2.432 495 2HG GLN 60 HG1 GLN 60 49.070 -3.055 -3.820 496 1HE2 GLN 60 HE22 GLN 60 46.536 0.132 -4.079 497 2HE2 GLN 60 HE21 GLN 60 47.273 -0.269 -2.604 498 H LYS 61 HN LYS 61 50.302 -2.828 -1.412 499 HA LYS 61 HA LYS 61 51.810 -5.103 -2.465 500 1HB LYS 61 HB2 LYS 61 52.885 -2.468 -1.449 501 2HB LYS 61 HB1 LYS 61 53.514 -3.474 -2.751 502 1HG LYS 61 HG2 LYS 61 51.400 -2.991 -4.041 503 2HG LYS 61 HG1 LYS 61 50.968 -1.834 -2.782 504 1HD LYS 61 HD2 LYS 61 52.169 -0.302 -3.922 505 2HD LYS 61 HD1 LYS 61 53.608 -1.186 -3.413 506 1HE LYS 61 HE2 LYS 61 53.690 -2.439 -5.440 507 2HE LYS 61 HE1 LYS 61 52.038 -1.964 -5.887 508 1HZ LYS 61 HZ2 LYS 61 53.144 0.419 -5.507 509 2HZ LYS 61 HZ1 LYS 61 54.510 -0.435 -6.047 510 3HZ LYS 61 HZ3 LYS 61 53.123 -0.355 -7.020 511 H ARG 62 HN ARG 62 51.771 -3.118 0.509 512 HA ARG 62 HA ARG 62 53.809 -4.310 1.979 513 1HB ARG 62 HB2 ARG 62 51.041 -3.309 2.680 514 2HB ARG 62 HB1 ARG 62 52.157 -3.851 3.935 515 1HG ARG 62 HG2 ARG 62 52.687 -1.659 1.906 516 2HG ARG 62 HG1 ARG 62 52.359 -1.424 3.623 517 1HD ARG 62 HD2 ARG 62 54.776 -2.786 2.388 518 2HD ARG 62 HD1 ARG 62 54.752 -1.326 3.396 519 HE ARG 62 HE ARG 62 54.759 -3.991 4.422 520 1HH1 ARG 62 HH21 ARG 62 54.241 -0.779 5.227 521 2HH1 ARG 62 HH22 ARG 62 53.346 -1.101 6.674 522 1HH2 ARG 62 HH11 ARG 62 53.116 -4.510 6.092 523 2HH2 ARG 62 HH12 ARG 62 52.707 -3.212 7.163 524 H ALA 63 HN ALA 63 50.739 -5.642 0.997 525 HA ALA 63 HA ALA 63 51.063 -8.051 2.705 526 1HB ALA 63 HB1 ALA 63 48.971 -6.912 0.841 527 2HB ALA 63 HB3 ALA 63 48.858 -8.576 1.413 528 3HB ALA 63 HB2 ALA 63 48.831 -7.243 2.567 529 H ALA 64 HN ALA 64 51.356 -6.916 -0.603 530 HA ALA 64 HA ALA 64 51.768 -9.565 -1.798 531 1HB ALA 64 HB3 ALA 64 50.846 -7.422 -2.890 532 2HB ALA 64 HB2 ALA 64 52.499 -6.809 -2.849 533 3HB ALA 64 HB1 ALA 64 52.116 -8.245 -3.798 534 H TYR 65 HN TYR 65 53.782 -6.675 -1.360 535 HA TYR 65 HA TYR 65 56.291 -7.970 -1.884 536 1HB TYR 65 HB2 TYR 65 55.163 -5.410 -1.276 537 2HB TYR 65 HB1 TYR 65 56.514 -5.678 -0.179 538 HD1 TYR 65 HD1 TYR 65 55.609 -6.072 -3.795 539 HD2 TYR 65 HD2 TYR 65 58.694 -5.230 -0.926 540 HE1 TYR 65 HE1 TYR 65 57.194 -5.598 -5.641 541 HE2 TYR 65 HE2 TYR 65 60.281 -4.756 -2.775 542 HH TYR 65 HH TYR 65 59.219 -4.516 -6.088 543 H ASP 66 HN ASP 66 54.141 -8.101 0.752 544 HA ASP 66 HA ASP 66 55.916 -8.211 2.961 545 1HB ASP 66 HB2 ASP 66 53.866 -8.322 3.922 546 2HB ASP 66 HB1 ASP 66 53.153 -8.572 2.335 547 H GLN 67 HN GLN 67 54.631 -10.812 0.854 548 HA GLN 67 HA GLN 67 56.476 -12.762 2.143 549 1HB GLN 67 HB2 GLN 67 55.083 -14.395 1.087 550 2HB GLN 67 HB1 GLN 67 53.988 -13.128 1.640 551 1HG GLN 67 HG2 GLN 67 54.467 -12.122 -0.768 552 2HG GLN 67 HG1 GLN 67 54.853 -13.802 -1.146 553 1HE2 GLN 67 HE22 GLN 67 51.454 -14.914 -0.387 554 2HE2 GLN 67 HE21 GLN 67 53.058 -15.392 -0.102 555 H TYR 68 HN TYR 68 56.164 -10.855 -0.750 556 HA TYR 68 HA TYR 68 58.065 -12.525 -2.280 557 1HB TYR 68 HB2 TYR 68 56.218 -10.241 -2.714 558 2HB TYR 68 HB1 TYR 68 57.656 -10.270 -3.742 559 HD1 TYR 68 HD2 TYR 68 58.133 -13.174 -4.024 560 HD2 TYR 68 HD1 TYR 68 54.463 -10.943 -4.130 561 HE1 TYR 68 HE2 TYR 68 57.098 -14.942 -5.421 562 HE2 TYR 68 HE1 TYR 68 53.429 -12.711 -5.527 563 HH TYR 68 HH TYR 68 53.934 -14.516 -6.876 564 H GLY 69 HN GLY 69 58.264 -9.046 -2.463 565 1HA GLY 69 HA2 GLY 69 60.193 -7.693 -2.316 566 2HA GLY 69 HA1 GLY 69 60.228 -8.321 -0.667 567 H HIS 70 HN HIS 70 60.707 -10.144 -3.681 568 HA HIS 70 HA HIS 70 63.602 -10.397 -3.140 569 1HB HIS 70 HB2 HIS 70 62.264 -12.023 -1.705 570 2HB HIS 70 HB1 HIS 70 61.763 -12.802 -3.211 571 HD1 HIS 70 HD1 HIS 70 65.116 -11.528 -3.616 572 HD2 HIS 70 HD2 HIS 70 63.469 -14.969 -1.935 573 HE1 HIS 70 HE1 HIS 70 66.998 -13.214 -3.448 574 H ALA 71 HN ALA 71 62.637 -13.092 -4.821 575 HA ALA 71 HA ALA 71 63.411 -11.913 -7.399 576 1HB ALA 71 HB3 ALA 71 64.186 -14.128 -6.540 577 2HB ALA 71 HB2 ALA 71 62.520 -14.703 -6.595 578 3HB ALA 71 HB1 ALA 71 63.354 -14.272 -8.088 579 H ALA 72 HN ALA 72 60.708 -11.431 -5.888 580 HA ALA 72 HA ALA 72 58.488 -12.555 -7.063 581 1HB ALA 72 HB2 ALA 72 59.142 -9.671 -6.419 582 2HB ALA 72 HB1 ALA 72 57.512 -10.214 -6.814 583 3HB ALA 72 HB3 ALA 72 58.330 -10.845 -5.385 584 H PHE 73 HN PHE 73 60.855 -10.504 -8.653 585 HA PHE 73 HA PHE 73 59.263 -10.747 -11.181 586 1HB PHE 73 HB2 PHE 73 59.957 -8.430 -9.647 587 2HB PHE 73 HB1 PHE 73 60.833 -8.362 -11.177 588 HD1 PHE 73 HD1 PHE 73 57.448 -9.613 -10.138 589 HD2 PHE 73 HD2 PHE 73 59.712 -7.081 -12.765 590 HE1 PHE 73 HE1 PHE 73 55.361 -8.963 -11.310 591 HE2 PHE 73 HE2 PHE 73 57.626 -6.429 -13.936 592 HZ PHE 73 HZ PHE 73 55.449 -7.370 -13.208 593 H GLU 74 HN GLU 74 62.505 -10.048 -9.820 594 HA GLU 74 HA GLU 74 63.823 -10.711 -12.356 595 1HB GLU 74 HB2 GLU 74 65.832 -10.153 -11.085 596 2HB GLU 74 HB1 GLU 74 64.578 -8.963 -10.735 597 1HG GLU 74 HG2 GLU 74 64.501 -9.549 -8.554 598 2HG GLU 74 HG1 GLU 74 64.439 -11.267 -8.945 599 H GLN 75 HN GLN 75 62.508 -12.962 -11.994 600 HA GLN 75 HA GLN 75 64.142 -14.854 -10.372 601 1HB GLN 75 HB2 GLN 75 62.235 -16.362 -10.795 602 2HB GLN 75 HB1 GLN 75 61.662 -14.806 -10.190 603 1HG GLN 75 HG2 GLN 75 60.434 -14.514 -12.051 604 2HG GLN 75 HG1 GLN 75 61.885 -14.646 -13.044 605 1HE2 GLN 75 HE22 GLN 75 61.386 -18.149 -13.726 606 2HE2 GLN 75 HE21 GLN 75 62.601 -16.978 -13.534 607 H GLY 76 HN GLY 76 64.972 -13.599 -13.031 608 1HA GLY 76 HA2 GLY 76 66.469 -15.594 -14.181 609 2HA GLY 76 HA1 GLY 76 64.895 -15.802 -14.952 610 H GLY 77 HN GLY 77 64.441 -12.810 -14.650 611 1HA GLY 77 HA2 GLY 77 66.422 -11.369 -16.099 612 2HA GLY 77 HA1 GLY 77 65.260 -12.020 -17.256 No H/Q in entry = 612 Start of MODEL 11 1 1H ALA 1 HT1 ALA 1 64.974 -16.373 8.982 2 2H ALA 1 HT3 ALA 1 66.593 -16.672 9.393 3 3H ALA 1 HT2 ALA 1 65.476 -16.245 10.600 4 HA ALA 1 HA ALA 1 66.044 -14.117 10.336 5 1HB ALA 1 HB2 ALA 1 68.121 -15.283 9.388 6 2HB ALA 1 HB1 ALA 1 67.460 -14.942 7.789 7 3HB ALA 1 HB3 ALA 1 67.877 -13.614 8.872 8 H LYS 2 HN LYS 2 63.827 -13.518 9.862 9 HA LYS 2 HA LYS 2 63.373 -12.855 6.973 10 1HB LYS 2 HB2 LYS 2 61.766 -14.351 8.982 11 2HB LYS 2 HB1 LYS 2 60.869 -13.254 7.929 12 1HG LYS 2 HG2 LYS 2 62.494 -14.456 6.110 13 2HG LYS 2 HG1 LYS 2 62.286 -15.770 7.268 14 1HD LYS 2 HD2 LYS 2 59.842 -14.249 6.491 15 2HD LYS 2 HD1 LYS 2 60.530 -15.336 5.285 16 1HE LYS 2 HE2 LYS 2 58.905 -16.589 6.612 17 2HE LYS 2 HE1 LYS 2 60.528 -17.158 7.049 18 1HZ LYS 2 HZ1 LYS 2 59.213 -14.912 8.461 19 2HZ LYS 2 HZ3 LYS 2 59.008 -16.519 8.960 20 3HZ LYS 2 HZ2 LYS 2 60.557 -15.823 8.959 21 H GLN 3 HN GLN 3 63.929 -10.638 7.253 22 HA GLN 3 HA GLN 3 62.267 -9.102 9.223 23 1HB GLN 3 HB2 GLN 3 65.032 -8.853 8.081 24 2HB GLN 3 HB1 GLN 3 64.200 -7.391 8.612 25 1HG GLN 3 HG2 GLN 3 64.120 -8.078 10.837 26 2HG GLN 3 HG1 GLN 3 64.246 -9.787 10.419 27 1HE2 GLN 3 HE22 GLN 3 67.729 -9.784 10.863 28 2HE2 GLN 3 HE21 GLN 3 66.272 -10.655 10.854 29 H ASP 4 HN ASP 4 60.946 -7.520 8.462 30 HA ASP 4 HA ASP 4 60.205 -7.426 5.687 31 1HB ASP 4 HB2 ASP 4 58.835 -6.982 7.771 32 2HB ASP 4 HB1 ASP 4 59.670 -5.434 7.906 33 H TYR 5 HN TYR 5 60.035 -5.020 4.700 34 HA TYR 5 HA TYR 5 62.815 -3.913 4.760 35 1HB TYR 5 HB2 TYR 5 61.304 -2.934 2.539 36 2HB TYR 5 HB1 TYR 5 62.672 -4.046 2.512 37 HD1 TYR 5 HD1 TYR 5 58.973 -3.814 2.718 38 HD2 TYR 5 HD2 TYR 5 62.357 -6.404 2.182 39 HE1 TYR 5 HE1 TYR 5 57.457 -5.650 2.029 40 HE2 TYR 5 HE2 TYR 5 60.842 -8.241 1.489 41 HH TYR 5 HH TYR 5 58.061 -8.652 2.090 42 H TYR 6 HN TYR 6 60.158 -3.264 6.361 43 HA TYR 6 HA TYR 6 59.759 -0.435 5.658 44 1HB TYR 6 HB2 TYR 6 58.118 -2.299 6.570 45 2HB TYR 6 HB1 TYR 6 58.720 -1.744 8.130 46 HD1 TYR 6 HD2 TYR 6 59.175 1.110 6.412 47 HD2 TYR 6 HD1 TYR 6 55.905 -1.398 7.640 48 HE1 TYR 6 HE2 TYR 6 57.653 3.060 6.338 49 HE2 TYR 6 HE1 TYR 6 54.386 0.560 7.571 50 HH TYR 6 HH TYR 6 54.282 2.767 6.424 51 H GLU 7 HN GLU 7 61.412 -2.379 8.073 52 HA GLU 7 HA GLU 7 62.226 -0.010 9.637 53 1HB GLU 7 HB2 GLU 7 62.089 -2.906 9.895 54 2HB GLU 7 HB1 GLU 7 63.672 -2.310 10.393 55 1HG GLU 7 HG2 GLU 7 60.976 -1.403 11.439 56 2HG GLU 7 HG1 GLU 7 62.217 -2.281 12.331 57 H ILE 8 HN ILE 8 63.321 -1.995 7.032 58 HA ILE 8 HA ILE 8 66.152 -1.655 7.190 59 HB ILE 8 HB ILE 8 64.056 -2.535 5.329 60 1HG1 ILE 8 HG12 ILE 8 66.130 -4.050 4.715 61 2HG1 ILE 8 HG11 ILE 8 66.815 -3.343 6.178 62 1HG2 ILE 8 HG23 ILE 8 66.557 -1.233 4.218 63 2HG2 ILE 8 HG22 ILE 8 65.617 -2.424 3.319 64 3HG2 ILE 8 HG21 ILE 8 64.880 -0.892 3.788 65 1HD1 ILE 8 HD11 ILE 8 64.164 -4.034 6.842 66 2HD1 ILE 8 HD13 ILE 8 64.800 -5.404 5.932 67 3HD1 ILE 8 HD12 ILE 8 65.638 -4.841 7.377 68 H LEU 9 HN LEU 9 63.593 0.530 6.315 69 HA LEU 9 HA LEU 9 65.460 2.386 4.941 70 1HB LEU 9 HB2 LEU 9 62.511 2.718 5.503 71 2HB LEU 9 HB1 LEU 9 63.447 3.431 4.196 72 HG LEU 9 HG LEU 9 63.228 0.437 4.418 73 1HD1 LEU 9 HD11 LEU 9 61.111 2.380 3.620 74 2HD1 LEU 9 HD13 LEU 9 61.299 0.918 2.655 75 3HD1 LEU 9 HD12 LEU 9 60.955 0.796 4.378 76 1HD2 LEU 9 HD21 LEU 9 63.791 2.493 2.295 77 2HD2 LEU 9 HD23 LEU 9 64.757 1.094 2.758 78 3HD2 LEU 9 HD22 LEU 9 63.262 0.871 1.847 79 H GLY 10 HN GLY 10 65.251 1.735 7.995 80 1HA GLY 10 HA2 GLY 10 65.481 2.949 9.989 81 2HA GLY 10 HA1 GLY 10 65.959 4.307 8.969 82 H VAL 11 HN VAL 11 62.845 2.775 8.555 83 HA VAL 11 HA VAL 11 61.528 5.329 9.338 84 HB VAL 11 HB VAL 11 60.389 2.831 8.058 85 1HG1 VAL 11 HG11 VAL 11 59.424 5.578 8.632 86 2HG1 VAL 11 HG13 VAL 11 58.988 4.909 7.062 87 3HG1 VAL 11 HG12 VAL 11 58.526 4.063 8.538 88 1HG2 VAL 11 HG21 VAL 11 62.405 3.982 6.883 89 2HG2 VAL 11 HG23 VAL 11 60.952 3.660 5.937 90 3HG2 VAL 11 HG22 VAL 11 61.262 5.284 6.551 91 H SER 12 HN SER 12 59.288 4.947 10.385 92 HA SER 12 HA SER 12 59.659 3.365 12.823 93 1HB SER 12 HB2 SER 12 57.524 4.497 13.428 94 2HB SER 12 HB1 SER 12 58.747 5.639 12.879 95 HG SER 12 HG SER 12 56.329 5.078 11.833 96 H LYS 13 HN LYS 13 58.698 2.662 9.768 97 HA LYS 13 HA LYS 13 57.295 1.109 8.776 98 1HB LYS 13 HB2 LYS 13 57.737 -1.022 9.546 99 2HB LYS 13 HB1 LYS 13 59.002 -0.117 10.373 100 1HG LYS 13 HG2 LYS 13 57.815 -0.127 12.436 101 2HG LYS 13 HG1 LYS 13 56.299 -0.584 11.660 102 1HD LYS 13 HD2 LYS 13 56.794 -2.778 11.786 103 2HD LYS 13 HD1 LYS 13 58.404 -2.521 11.114 104 1HE LYS 13 HE2 LYS 13 58.903 -1.524 13.526 105 2HE LYS 13 HE1 LYS 13 57.538 -2.563 13.984 106 1HZ LYS 13 HZ2 LYS 13 59.771 -3.509 12.277 107 2HZ LYS 13 HZ1 LYS 13 59.785 -3.674 13.969 108 3HZ LYS 13 HZ3 LYS 13 58.582 -4.443 13.053 109 H THR 14 HN THR 14 56.177 3.062 10.877 110 HA THR 14 HA THR 14 53.458 1.849 10.971 111 HB THR 14 HB THR 14 53.244 3.104 13.165 112 HG1 THR 14 HG1 THR 14 54.811 4.575 13.153 113 1HG2 THR 14 HG23 THR 14 53.874 0.652 12.969 114 2HG2 THR 14 HG22 THR 14 55.553 1.149 13.176 115 3HG2 THR 14 HG21 THR 14 54.383 1.439 14.463 116 H ALA 15 HN ALA 15 55.447 4.095 9.649 117 HA ALA 15 HA ALA 15 53.752 6.480 9.750 118 1HB ALA 15 HB1 ALA 15 56.459 5.815 9.416 119 2HB ALA 15 HB3 ALA 15 55.949 6.337 7.811 120 3HB ALA 15 HB2 ALA 15 55.764 7.421 9.190 121 H GLU 16 HN GLU 16 54.461 7.149 7.002 122 HA GLU 16 HA GLU 16 53.074 5.164 5.305 123 1HB GLU 16 HB2 GLU 16 52.111 8.016 5.757 124 2HB GLU 16 HB1 GLU 16 51.395 6.858 4.630 125 1HG GLU 16 HG2 GLU 16 51.153 5.322 6.716 126 2HG GLU 16 HG1 GLU 16 51.388 6.806 7.642 127 H GLU 17 HN GLU 17 52.818 8.085 3.816 128 HA GLU 17 HA GLU 17 55.335 7.708 2.310 129 1HB GLU 17 HB2 GLU 17 54.269 9.463 0.863 130 2HB GLU 17 HB1 GLU 17 53.221 8.067 1.118 131 1HG GLU 17 HG2 GLU 17 51.756 9.234 2.456 132 2HG GLU 17 HG1 GLU 17 53.013 10.300 3.082 133 H ARG 18 HN ARG 18 54.117 9.537 4.921 134 HA ARG 18 HA ARG 18 55.601 11.986 4.572 135 1HB ARG 18 HB2 ARG 18 54.957 12.290 6.967 136 2HB ARG 18 HB1 ARG 18 53.596 11.789 5.963 137 1HG ARG 18 HG2 ARG 18 53.352 10.281 7.699 138 2HG ARG 18 HG1 ARG 18 54.446 9.354 6.677 139 1HD ARG 18 HD2 ARG 18 55.627 9.218 8.660 140 2HD ARG 18 HD1 ARG 18 56.271 10.769 8.084 141 HE ARG 18 HE ARG 18 53.837 10.664 9.822 142 1HH1 ARG 18 HH21 ARG 18 53.959 13.283 9.634 143 2HH1 ARG 18 HH22 ARG 18 55.293 13.873 10.567 144 1HH2 ARG 18 HH11 ARG 18 56.866 10.786 10.753 145 2HH2 ARG 18 HH12 ARG 18 56.942 12.458 11.200 146 H GLU 19 HN GLU 19 56.411 8.870 6.070 147 HA GLU 19 HA GLU 19 58.955 10.081 7.044 148 1HB GLU 19 HB2 GLU 19 57.152 8.155 8.058 149 2HB GLU 19 HB1 GLU 19 58.636 7.286 7.652 150 1HG GLU 19 HG2 GLU 19 59.906 8.448 9.164 151 2HG GLU 19 HG1 GLU 19 58.943 9.916 9.003 152 H ILE 20 HN ILE 20 57.669 7.546 4.949 153 HA ILE 20 HA ILE 20 60.188 6.472 4.216 154 HB ILE 20 HB ILE 20 57.413 6.256 3.521 155 1HG1 ILE 20 HG12 ILE 20 58.138 4.017 2.843 156 2HG1 ILE 20 HG11 ILE 20 59.817 4.559 2.817 157 1HG2 ILE 20 HG22 ILE 20 59.308 6.571 1.185 158 2HG2 ILE 20 HG21 ILE 20 57.845 5.594 1.067 159 3HG2 ILE 20 HG23 ILE 20 57.728 7.318 1.415 160 1HD1 ILE 20 HD11 ILE 20 58.072 4.710 5.286 161 2HD1 ILE 20 HD13 ILE 20 59.129 3.342 4.935 162 3HD1 ILE 20 HD12 ILE 20 59.815 4.946 5.186 163 H ARG 21 HN ARG 21 58.700 9.514 3.565 164 HA ARG 21 HA ARG 21 60.289 10.010 1.137 165 1HB ARG 21 HB2 ARG 21 58.977 11.985 0.968 166 2HB ARG 21 HB1 ARG 21 57.881 10.809 1.686 167 1HG ARG 21 HG2 ARG 21 58.440 11.684 3.938 168 2HG ARG 21 HG1 ARG 21 59.491 12.888 3.195 169 1HD ARG 21 HD2 ARG 21 56.768 12.818 2.054 170 2HD ARG 21 HD1 ARG 21 56.841 13.325 3.754 171 HE ARG 21 HE ARG 21 58.945 14.682 2.548 172 1HH1 ARG 21 HH11 ARG 21 56.383 14.227 0.572 173 2HH1 ARG 21 HH12 ARG 21 55.836 15.870 0.541 174 1HH2 ARG 21 HH21 ARG 21 57.882 16.882 3.151 175 2HH2 ARG 21 HH22 ARG 21 56.682 17.373 2.001 176 H LYS 22 HN LYS 22 60.241 11.010 4.521 177 HA LYS 22 HA LYS 22 62.602 12.724 4.183 178 1HB LYS 22 HB2 LYS 22 60.749 13.268 5.753 179 2HB LYS 22 HB1 LYS 22 61.041 11.755 6.609 180 1HG LYS 22 HG2 LYS 22 63.552 12.878 6.568 181 2HG LYS 22 HG1 LYS 22 62.518 14.297 6.742 182 1HD LYS 22 HD2 LYS 22 63.177 13.290 8.938 183 2HD LYS 22 HD1 LYS 22 61.429 13.325 8.689 184 1HE LYS 22 HE2 LYS 22 61.277 11.048 8.636 185 2HE LYS 22 HE1 LYS 22 62.761 10.884 7.676 186 1HZ LYS 22 HZ2 LYS 22 62.707 11.666 10.541 187 2HZ LYS 22 HZ1 LYS 22 63.008 10.085 9.999 188 3HZ LYS 22 HZ3 LYS 22 64.083 11.336 9.601 189 H ALA 23 HN ALA 23 61.648 9.517 5.157 190 HA ALA 23 HA ALA 23 64.206 8.771 6.375 191 1HB ALA 23 HB2 ALA 23 61.840 7.189 5.307 192 2HB ALA 23 HB1 ALA 23 63.144 6.508 6.278 193 3HB ALA 23 HB3 ALA 23 62.065 7.717 6.974 194 H TYR 24 HN TYR 24 62.548 7.811 3.332 195 HA TYR 24 HA TYR 24 64.619 6.379 2.110 196 1HB TYR 24 HB2 TYR 24 62.406 6.586 1.147 197 2HB TYR 24 HB1 TYR 24 62.582 8.333 1.000 198 HD1 TYR 24 HD2 TYR 24 65.576 6.426 0.305 199 HD2 TYR 24 HD1 TYR 24 61.966 7.965 -1.444 200 HE1 TYR 24 HE2 TYR 24 66.556 6.161 -1.957 201 HE2 TYR 24 HE1 TYR 24 62.948 7.700 -3.704 202 HH TYR 24 HH TYR 24 64.673 6.453 -4.822 203 H LYS 25 HN LYS 25 64.057 9.890 2.193 204 HA LYS 25 HA LYS 25 66.474 10.532 0.680 205 1HB LYS 25 HB2 LYS 25 64.085 11.759 1.292 206 2HB LYS 25 HB1 LYS 25 65.207 12.595 2.366 207 1HG LYS 25 HG2 LYS 25 66.517 12.344 -0.137 208 2HG LYS 25 HG1 LYS 25 64.880 12.909 -0.474 209 1HD LYS 25 HD2 LYS 25 65.139 14.829 0.880 210 2HD LYS 25 HD1 LYS 25 66.545 14.162 1.707 211 1HE LYS 25 HE2 LYS 25 67.073 15.944 -0.043 212 2HE LYS 25 HE1 LYS 25 67.911 14.398 -0.288 213 1HZ LYS 25 HZ3 LYS 25 65.275 15.036 -1.491 214 2HZ LYS 25 HZ2 LYS 25 66.746 15.275 -2.305 215 3HZ LYS 25 HZ1 LYS 25 66.274 13.711 -1.841 216 H ARG 26 HN ARG 26 65.457 10.797 4.132 217 HA ARG 26 HA ARG 26 67.924 11.886 5.101 218 1HB ARG 26 HB2 ARG 26 65.879 11.797 6.425 219 2HB ARG 26 HB1 ARG 26 65.892 10.034 6.381 220 1HG ARG 26 HG2 ARG 26 67.304 9.935 8.129 221 2HG ARG 26 HG1 ARG 26 68.432 11.038 7.339 222 1HD ARG 26 HD2 ARG 26 66.219 12.621 8.138 223 2HD ARG 26 HD1 ARG 26 66.641 11.597 9.525 224 HE ARG 26 HE ARG 26 69.073 12.352 8.999 225 1HH1 ARG 26 HH11 ARG 26 68.435 14.187 6.773 226 2HH1 ARG 26 HH12 ARG 26 68.270 15.718 7.568 227 1HH2 ARG 26 HH21 ARG 26 67.910 14.334 10.728 228 2HH2 ARG 26 HH22 ARG 26 67.973 15.801 9.809 229 H LEU 27 HN LEU 27 66.908 8.493 4.649 230 HA LEU 27 HA LEU 27 69.392 7.410 5.722 231 1HB LEU 27 HB2 LEU 27 66.803 6.532 4.928 232 2HB LEU 27 HB1 LEU 27 67.985 5.597 4.009 233 HG LEU 27 HG LEU 27 67.484 4.508 6.171 234 1HD1 LEU 27 HD13 LEU 27 69.831 4.566 5.078 235 2HD1 LEU 27 HD12 LEU 27 70.250 5.707 6.355 236 3HD1 LEU 27 HD11 LEU 27 69.734 4.072 6.768 237 1HD2 LEU 27 HD22 LEU 27 68.230 7.242 7.174 238 2HD2 LEU 27 HD21 LEU 27 66.895 6.201 7.670 239 3HD2 LEU 27 HD23 LEU 27 68.540 5.836 8.192 240 H ALA 28 HN ALA 28 68.233 8.349 2.525 241 HA ALA 28 HA ALA 28 70.281 6.937 1.040 242 1HB ALA 28 HB3 ALA 28 68.124 7.762 0.129 243 2HB ALA 28 HB2 ALA 28 68.689 9.417 0.370 244 3HB ALA 28 HB1 ALA 28 69.511 8.362 -0.780 245 H MET 29 HN MET 29 70.060 10.015 2.698 246 HA MET 29 HA MET 29 72.078 11.553 1.551 247 1HB MET 29 HB2 MET 29 70.620 11.909 3.617 248 2HB MET 29 HB1 MET 29 71.826 10.970 4.498 249 1HG MET 29 HG2 MET 29 73.329 12.664 4.495 250 2HG MET 29 HG1 MET 29 72.977 13.089 2.819 251 1HE MET 29 HE2 MET 29 71.844 12.779 6.205 252 2HE MET 29 HE1 MET 29 71.891 14.466 6.710 253 3HE MET 29 HE3 MET 29 70.344 13.692 6.339 254 H LYS 30 HN LYS 30 72.355 8.921 3.863 255 HA LYS 30 HA LYS 30 75.135 8.771 4.269 256 1HB LYS 30 HB2 LYS 30 72.701 7.201 4.518 257 2HB LYS 30 HB1 LYS 30 74.081 6.176 4.113 258 1HG LYS 30 HG2 LYS 30 74.908 6.362 6.200 259 2HG LYS 30 HG1 LYS 30 74.875 8.122 6.089 260 1HD LYS 30 HD2 LYS 30 72.193 7.428 6.381 261 2HD LYS 30 HD1 LYS 30 73.034 6.322 7.468 262 1HE LYS 30 HE2 LYS 30 73.933 9.165 7.529 263 2HE LYS 30 HE1 LYS 30 72.345 8.811 8.238 264 1HZ LYS 30 HZ3 LYS 30 73.381 6.960 9.453 265 2HZ LYS 30 HZ2 LYS 30 74.900 7.421 8.848 266 3HZ LYS 30 HZ1 LYS 30 74.046 8.457 9.889 267 H TYR 31 HN TYR 31 73.238 8.139 1.475 268 HA TYR 31 HA TYR 31 75.592 6.841 0.135 269 1HB TYR 31 HB2 TYR 31 72.696 6.314 -0.532 270 2HB TYR 31 HB1 TYR 31 74.102 5.303 -0.880 271 HD1 TYR 31 HD2 TYR 31 75.547 4.956 1.509 272 HD2 TYR 31 HD1 TYR 31 71.296 5.362 1.061 273 HE1 TYR 31 HE2 TYR 31 75.208 3.747 3.648 274 HE2 TYR 31 HE1 TYR 31 70.954 4.155 3.200 275 HH TYR 31 HH TYR 31 72.949 3.837 5.470 276 H HIS 32 HN HIS 32 73.212 9.348 0.024 277 HA HIS 32 HA HIS 32 72.677 9.956 -2.588 278 1HB HIS 32 HB2 HIS 32 73.138 11.353 -0.088 279 2HB HIS 32 HB1 HIS 32 73.600 12.363 -1.463 280 HD1 HIS 32 HD1 HIS 32 70.693 9.972 -0.764 281 HD2 HIS 32 HD2 HIS 32 71.398 13.779 -2.311 282 HE1 HIS 32 HE1 HIS 32 68.436 10.900 -1.440 283 HA PRO 33 HA PRO 33 76.142 10.836 -5.098 284 1HB PRO 33 HB2 PRO 33 75.824 13.485 -5.819 285 2HB PRO 33 HB1 PRO 33 74.884 12.145 -6.504 286 1HG PRO 33 HG2 PRO 33 74.178 13.976 -4.245 287 2HG PRO 33 HG1 PRO 33 73.202 13.503 -5.652 288 1HD PRO 33 HD2 PRO 33 72.794 12.299 -3.344 289 2HD PRO 33 HD1 PRO 33 72.858 11.328 -4.835 290 H ASP 34 HN ASP 34 77.584 13.361 -5.353 291 HA ASP 34 HA ASP 34 79.313 14.567 -4.251 292 1HB ASP 34 HB2 ASP 34 77.232 14.265 -2.376 293 2HB ASP 34 HB1 ASP 34 78.674 13.693 -1.538 294 H ARG 35 HN ARG 35 78.574 11.646 -2.330 295 HA ARG 35 HA ARG 35 81.391 10.749 -2.484 296 1HB ARG 35 HB2 ARG 35 80.657 9.307 -0.707 297 2HB ARG 35 HB1 ARG 35 79.876 10.855 -0.404 298 1HG ARG 35 HG2 ARG 35 77.826 10.036 -1.534 299 2HG ARG 35 HG1 ARG 35 78.608 8.480 -1.822 300 1HD ARG 35 HD2 ARG 35 77.373 8.098 0.166 301 2HD ARG 35 HD1 ARG 35 78.993 8.482 0.782 302 HE ARG 35 HE ARG 35 76.914 10.614 0.476 303 1HH1 ARG 35 HH21 ARG 35 79.976 10.427 1.518 304 2HH1 ARG 35 HH22 ARG 35 79.686 10.846 3.174 305 1HH2 ARG 35 HH11 ARG 35 76.242 10.504 2.931 306 2HH2 ARG 35 HH12 ARG 35 77.571 10.884 3.975 307 H ASN 36 HN ASN 36 78.160 10.102 -3.593 308 HA ASN 36 HA ASN 36 78.756 7.474 -4.789 309 1HB ASN 36 HB2 ASN 36 76.484 9.238 -4.129 310 2HB ASN 36 HB1 ASN 36 76.294 8.359 -5.637 311 1HD2 ASN 36 HD22 ASN 36 75.342 5.451 -3.949 312 2HD2 ASN 36 HD21 ASN 36 75.139 6.484 -5.282 313 H GLN 37 HN GLN 37 78.531 10.826 -5.712 314 HA GLN 37 HA GLN 37 79.093 11.857 -7.749 315 1HB GLN 37 HB2 GLN 37 79.431 9.120 -8.957 316 2HB GLN 37 HB1 GLN 37 80.291 10.604 -9.362 317 1HG GLN 37 HG2 GLN 37 81.064 10.431 -6.819 318 2HG GLN 37 HG1 GLN 37 80.738 8.718 -7.086 319 1HE2 GLN 37 HE22 GLN 37 84.200 8.944 -8.159 320 2HE2 GLN 37 HE21 GLN 37 83.273 8.770 -6.749 321 H GLY 38 HN GLY 38 76.642 12.052 -7.302 322 1HA GLY 38 HA2 GLY 38 74.552 12.267 -8.357 323 2HA GLY 38 HA1 GLY 38 75.276 11.577 -9.814 324 H ASP 39 HN ASP 39 76.070 9.131 -9.202 325 HA ASP 39 HA ASP 39 74.026 7.735 -7.584 326 1HB ASP 39 HB2 ASP 39 72.946 8.173 -9.754 327 2HB ASP 39 HB1 ASP 39 74.283 7.375 -10.582 328 H LYS 40 HN LYS 40 75.294 5.857 -10.123 329 HA LYS 40 HA LYS 40 76.883 4.159 -10.191 330 1HB LYS 40 HB2 LYS 40 78.195 6.094 -8.334 331 2HB LYS 40 HB1 LYS 40 79.036 4.796 -9.169 332 1HG LYS 40 HG2 LYS 40 78.074 5.812 -11.327 333 2HG LYS 40 HG1 LYS 40 77.686 7.228 -10.348 334 1HD LYS 40 HD2 LYS 40 80.140 7.188 -9.607 335 2HD LYS 40 HD1 LYS 40 80.405 6.061 -10.939 336 1HE LYS 40 HE2 LYS 40 79.291 7.784 -12.461 337 2HE LYS 40 HE1 LYS 40 79.424 8.922 -11.105 338 1HZ LYS 40 HZ2 LYS 40 81.799 8.369 -10.961 339 2HZ LYS 40 HZ1 LYS 40 81.651 7.389 -12.341 340 3HZ LYS 40 HZ3 LYS 40 81.401 9.063 -12.461 341 H GLU 41 HN GLU 41 77.178 5.253 -6.800 342 HA GLU 41 HA GLU 41 76.999 2.435 -5.920 343 1HB GLU 41 HB2 GLU 41 78.673 3.896 -4.931 344 2HB GLU 41 HB1 GLU 41 77.445 5.087 -4.517 345 1HG GLU 41 HG2 GLU 41 76.390 3.520 -2.968 346 2HG GLU 41 HG1 GLU 41 77.533 2.259 -3.433 347 H ALA 42 HN ALA 42 74.861 4.935 -6.612 348 HA ALA 42 HA ALA 42 72.904 4.345 -4.484 349 1HB ALA 42 HB3 ALA 42 73.526 6.443 -6.326 350 2HB ALA 42 HB2 ALA 42 71.878 5.909 -6.662 351 3HB ALA 42 HB1 ALA 42 72.315 6.456 -5.044 352 H GLU 43 HN GLU 43 73.550 3.558 -7.859 353 HA GLU 43 HA GLU 43 71.098 2.630 -8.804 354 1HB GLU 43 HB2 GLU 43 73.423 2.667 -9.869 355 2HB GLU 43 HB1 GLU 43 73.724 1.139 -9.040 356 1HG GLU 43 HG2 GLU 43 71.451 0.409 -10.132 357 2HG GLU 43 HG1 GLU 43 71.777 1.735 -11.250 358 H ALA 44 HN ALA 44 73.348 0.960 -6.595 359 HA ALA 44 HA ALA 44 71.529 -1.357 -6.322 360 1HB ALA 44 HB2 ALA 44 74.303 -0.725 -5.966 361 2HB ALA 44 HB1 ALA 44 73.677 -1.297 -4.419 362 3HB ALA 44 HB3 ALA 44 73.532 -2.307 -5.858 363 H LYS 45 HN LYS 45 72.038 1.708 -4.798 364 HA LYS 45 HA LYS 45 70.969 0.817 -2.204 365 1HB LYS 45 HB2 LYS 45 72.443 3.022 -3.228 366 2HB LYS 45 HB1 LYS 45 70.942 3.666 -2.545 367 1HG LYS 45 HG2 LYS 45 71.663 3.269 -0.456 368 2HG LYS 45 HG1 LYS 45 71.986 1.578 -0.851 369 1HD LYS 45 HD2 LYS 45 73.903 3.482 -2.022 370 2HD LYS 45 HD1 LYS 45 73.932 3.415 -0.259 371 1HE LYS 45 HE2 LYS 45 73.862 0.784 -0.702 372 2HE LYS 45 HE1 LYS 45 74.593 1.273 -2.244 373 1HZ LYS 45 HZ1 LYS 45 76.185 2.630 -0.971 374 2HZ LYS 45 HZ3 LYS 45 75.539 2.021 0.474 375 3HZ LYS 45 HZ2 LYS 45 76.322 0.976 -0.612 376 H PHE 46 HN PHE 46 69.802 2.209 -5.201 377 HA PHE 46 HA PHE 46 67.255 3.141 -4.213 378 1HB PHE 46 HB2 PHE 46 68.568 2.459 -6.797 379 2HB PHE 46 HB1 PHE 46 66.807 2.366 -6.803 380 HD1 PHE 46 HD1 PHE 46 69.402 4.625 -5.286 381 HD2 PHE 46 HD2 PHE 46 65.752 4.303 -7.530 382 HE1 PHE 46 HE1 PHE 46 69.269 7.097 -5.425 383 HE2 PHE 46 HE2 PHE 46 65.620 6.775 -7.668 384 HZ PHE 46 HZ PHE 46 67.379 8.172 -6.615 385 H LYS 47 HN LYS 47 68.546 0.028 -5.250 386 HA LYS 47 HA LYS 47 66.032 -1.350 -5.074 387 1HB LYS 47 HB2 LYS 47 67.303 -3.096 -5.934 388 2HB LYS 47 HB1 LYS 47 68.434 -1.797 -6.283 389 1HG LYS 47 HG2 LYS 47 69.918 -2.498 -4.713 390 2HG LYS 47 HG1 LYS 47 68.673 -3.025 -3.585 391 1HD LYS 47 HD2 LYS 47 69.136 -5.120 -4.258 392 2HD LYS 47 HD1 LYS 47 68.324 -4.697 -5.765 393 1HE LYS 47 HE2 LYS 47 70.319 -4.336 -6.903 394 2HE LYS 47 HE1 LYS 47 71.215 -3.955 -5.418 395 1HZ LYS 47 HZ2 LYS 47 70.090 -6.619 -6.113 396 2HZ LYS 47 HZ1 LYS 47 71.733 -6.196 -6.218 397 3HZ LYS 47 HZ3 LYS 47 70.965 -6.245 -4.706 398 H GLU 48 HN GLU 48 68.185 -0.015 -2.858 399 HA GLU 48 HA GLU 48 67.619 -1.986 -0.777 400 1HB GLU 48 HB2 GLU 48 69.249 0.563 -0.848 401 2HB GLU 48 HB1 GLU 48 69.128 -0.480 0.569 402 1HG GLU 48 HG2 GLU 48 69.873 -1.767 -2.017 403 2HG GLU 48 HG1 GLU 48 71.096 -0.771 -1.225 404 H ILE 49 HN ILE 49 66.772 1.289 -1.720 405 HA ILE 49 HA ILE 49 64.814 1.326 0.545 406 HB ILE 49 HB ILE 49 66.075 3.512 -1.137 407 1HG1 ILE 49 HG12 ILE 49 66.790 4.070 1.387 408 2HG1 ILE 49 HG11 ILE 49 66.636 2.314 1.529 409 1HG2 ILE 49 HG23 ILE 49 63.782 3.459 0.730 410 2HG2 ILE 49 HG22 ILE 49 64.926 4.782 0.953 411 3HG2 ILE 49 HG21 ILE 49 64.128 4.555 -0.604 412 1HD1 ILE 49 HD13 ILE 49 68.205 3.706 -0.648 413 2HD1 ILE 49 HD12 ILE 49 68.924 3.054 0.826 414 3HD1 ILE 49 HD11 ILE 49 68.142 1.973 -0.329 415 H LYS 50 HN LYS 50 65.266 2.173 -2.911 416 HA LYS 50 HA LYS 50 62.470 2.742 -3.273 417 1HB LYS 50 HB2 LYS 50 64.560 3.470 -4.631 418 2HB LYS 50 HB1 LYS 50 64.420 1.902 -5.429 419 1HG LYS 50 HG2 LYS 50 61.935 3.532 -5.211 420 2HG LYS 50 HG1 LYS 50 63.159 4.084 -6.355 421 1HD LYS 50 HD2 LYS 50 63.159 1.465 -6.976 422 2HD LYS 50 HD1 LYS 50 61.498 1.613 -6.402 423 1HE LYS 50 HE2 LYS 50 60.876 2.994 -8.146 424 2HE LYS 50 HE1 LYS 50 62.488 3.724 -8.278 425 1HZ LYS 50 HZ1 LYS 50 63.226 1.382 -8.937 426 2HZ LYS 50 HZ3 LYS 50 61.584 1.076 -9.229 427 3HZ LYS 50 HZ2 LYS 50 62.386 2.296 -10.098 428 H GLU 51 HN GLU 51 64.384 -0.220 -3.319 429 HA GLU 51 HA GLU 51 62.213 -1.683 -4.730 430 1HB GLU 51 HB2 GLU 51 64.288 -2.480 -5.367 431 2HB GLU 51 HB1 GLU 51 64.998 -2.034 -3.836 432 1HG GLU 51 HG2 GLU 51 64.864 -4.517 -4.236 433 2HG GLU 51 HG1 GLU 51 64.125 -3.964 -2.734 434 H ALA 52 HN ALA 52 63.556 -1.199 -1.516 435 HA ALA 52 HA ALA 52 61.747 -3.170 -0.258 436 1HB ALA 52 HB1 ALA 52 63.998 -1.335 0.537 437 2HB ALA 52 HB3 ALA 52 62.956 -2.011 1.790 438 3HB ALA 52 HB2 ALA 52 63.874 -3.083 0.732 439 H TYR 53 HN TYR 53 62.325 0.350 -0.178 440 HA TYR 53 HA TYR 53 59.943 0.908 1.405 441 1HB TYR 53 HB2 TYR 53 61.170 2.753 1.777 442 2HB TYR 53 HB1 TYR 53 62.397 2.095 0.725 443 HD1 TYR 53 HD2 TYR 53 61.174 2.359 -1.954 444 HD2 TYR 53 HD1 TYR 53 61.085 5.021 1.412 445 HE1 TYR 53 HE2 TYR 53 60.922 4.284 -3.484 446 HE2 TYR 53 HE1 TYR 53 60.841 6.949 -0.119 447 HH TYR 53 HH TYR 53 60.654 6.479 -3.653 448 H GLU 54 HN GLU 54 60.073 -0.152 -1.649 449 HA GLU 54 HA GLU 54 58.280 1.806 -2.922 450 1HB GLU 54 HB2 GLU 54 59.452 0.790 -4.603 451 2HB GLU 54 HB1 GLU 54 59.846 -0.600 -3.594 452 1HG GLU 54 HG2 GLU 54 57.874 -1.732 -4.149 453 2HG GLU 54 HG1 GLU 54 57.043 -0.252 -4.625 454 H VAL 55 HN VAL 55 58.057 -1.068 -0.984 455 HA VAL 55 HA VAL 55 55.165 -1.354 -1.628 456 HB VAL 55 HB VAL 55 55.590 -3.575 -1.513 457 1HG1 VAL 55 HG13 VAL 55 57.824 -2.876 -2.319 458 2HG1 VAL 55 HG12 VAL 55 58.389 -2.848 -0.648 459 3HG1 VAL 55 HG11 VAL 55 57.874 -4.363 -1.379 460 1HG2 VAL 55 HG23 VAL 55 56.680 -2.970 1.244 461 2HG2 VAL 55 HG22 VAL 55 55.108 -3.650 0.835 462 3HG2 VAL 55 HG21 VAL 55 56.569 -4.604 0.590 463 H LEU 56 HN LEU 56 56.182 0.827 -0.065 464 HA LEU 56 HA LEU 56 54.891 0.179 2.552 465 1HB LEU 56 HB2 LEU 56 57.177 1.949 1.690 466 2HB LEU 56 HB1 LEU 56 56.322 2.299 3.192 467 HG LEU 56 HG LEU 56 58.192 0.903 3.766 468 1HD1 LEU 56 HD13 LEU 56 55.868 0.334 4.706 469 2HD1 LEU 56 HD12 LEU 56 55.874 -1.026 3.581 470 3HD1 LEU 56 HD11 LEU 56 57.105 -0.918 4.839 471 1HD2 LEU 56 HD21 LEU 56 57.846 -0.104 1.171 472 2HD2 LEU 56 HD23 LEU 56 59.058 -0.618 2.343 473 3HD2 LEU 56 HD22 LEU 56 57.521 -1.474 2.233 474 H THR 57 HN THR 57 54.662 1.845 -0.392 475 HA THR 57 HA THR 57 52.427 3.538 0.616 476 HB THR 57 HB THR 57 53.646 5.432 0.312 477 HG1 THR 57 HG1 THR 57 53.120 5.721 -1.731 478 1HG2 THR 57 HG23 THR 57 55.603 3.895 0.860 479 2HG2 THR 57 HG22 THR 57 55.907 3.804 -0.875 480 3HG2 THR 57 HG21 THR 57 56.018 5.354 -0.040 481 H ASP 58 HN ASP 58 53.205 1.105 -1.307 482 HA ASP 58 HA ASP 58 52.062 2.046 -3.866 483 1HB ASP 58 HB2 ASP 58 54.024 0.402 -3.392 484 2HB ASP 58 HB1 ASP 58 52.761 -0.790 -3.072 485 H SER 59 HN SER 59 50.585 -0.267 -4.621 486 HA SER 59 HA SER 59 47.990 0.267 -3.670 487 1HB SER 59 HB2 SER 59 47.708 -2.243 -4.470 488 2HB SER 59 HB1 SER 59 48.130 -0.989 -5.631 489 HG SER 59 HG SER 59 49.446 -3.093 -5.366 490 H GLN 60 HN GLN 60 48.726 -3.061 -3.045 491 HA GLN 60 HA GLN 60 47.764 -2.861 -0.300 492 1HB GLN 60 HB2 GLN 60 48.305 -5.308 -0.346 493 2HB GLN 60 HB1 GLN 60 47.295 -4.795 -1.697 494 1HG GLN 60 HG2 GLN 60 49.903 -4.403 -2.603 495 2HG GLN 60 HG1 GLN 60 49.968 -5.917 -1.721 496 1HE2 GLN 60 HE22 GLN 60 47.366 -5.713 -4.908 497 2HE2 GLN 60 HE21 GLN 60 47.651 -4.318 -3.986 498 H LYS 61 HN LYS 61 50.910 -3.126 -1.886 499 HA LYS 61 HA LYS 61 53.064 -2.797 -1.054 500 1HB LYS 61 HB2 LYS 61 51.708 -1.640 1.380 501 2HB LYS 61 HB1 LYS 61 53.192 -1.120 0.606 502 1HG LYS 61 HG2 LYS 61 51.991 -0.256 -1.287 503 2HG LYS 61 HG1 LYS 61 50.478 -0.923 -0.688 504 1HD LYS 61 HD2 LYS 61 52.048 0.923 1.074 505 2HD LYS 61 HD1 LYS 61 51.048 1.607 -0.208 506 1HE LYS 61 HE2 LYS 61 49.153 0.110 0.709 507 2HE LYS 61 HE1 LYS 61 50.179 -0.085 2.143 508 1HZ LYS 61 HZ2 LYS 61 49.432 2.531 0.944 509 2HZ LYS 61 HZ1 LYS 61 48.679 1.852 2.308 510 3HZ LYS 61 HZ3 LYS 61 50.317 2.289 2.374 511 H ARG 62 HN ARG 62 51.385 -3.240 2.041 512 HA ARG 62 HA ARG 62 53.391 -5.186 2.878 513 1HB ARG 62 HB2 ARG 62 50.849 -4.220 4.209 514 2HB ARG 62 HB1 ARG 62 52.264 -4.917 5.003 515 1HG ARG 62 HG2 ARG 62 53.625 -3.018 4.077 516 2HG ARG 62 HG1 ARG 62 52.125 -2.295 3.499 517 1HD ARG 62 HD2 ARG 62 53.091 -1.584 5.862 518 2HD ARG 62 HD1 ARG 62 51.348 -1.852 5.681 519 HE ARG 62 HE ARG 62 51.641 -4.076 6.675 520 1HH1 ARG 62 HH11 ARG 62 54.736 -3.415 5.832 521 2HH1 ARG 62 HH12 ARG 62 55.448 -3.691 7.387 522 1HH2 ARG 62 HH21 ARG 62 52.404 -3.855 9.040 523 2HH2 ARG 62 HH22 ARG 62 54.125 -3.945 9.204 524 H ALA 63 HN ALA 63 50.621 -5.483 1.046 525 HA ALA 63 HA ALA 63 50.038 -8.203 2.163 526 1HB ALA 63 HB3 ALA 63 48.444 -5.995 1.427 527 2HB ALA 63 HB2 ALA 63 48.201 -7.189 0.153 528 3HB ALA 63 HB1 ALA 63 47.874 -7.613 1.833 529 H ALA 64 HN ALA 64 51.290 -6.397 -0.495 530 HA ALA 64 HA ALA 64 51.123 -8.607 -2.451 531 1HB ALA 64 HB2 ALA 64 51.736 -5.716 -2.338 532 2HB ALA 64 HB1 ALA 64 52.699 -6.616 -3.509 533 3HB ALA 64 HB3 ALA 64 50.938 -6.637 -3.612 534 H TYR 65 HN TYR 65 53.697 -6.650 -0.951 535 HA TYR 65 HA TYR 65 55.786 -8.448 -1.905 536 1HB TYR 65 HB2 TYR 65 55.437 -5.825 -0.860 537 2HB TYR 65 HB1 TYR 65 56.613 -6.648 0.158 538 HD1 TYR 65 HD2 TYR 65 58.634 -7.723 -0.871 539 HD2 TYR 65 HD1 TYR 65 55.961 -5.233 -3.130 540 HE1 TYR 65 HE2 TYR 65 60.351 -7.491 -2.645 541 HE2 TYR 65 HE1 TYR 65 57.676 -5.001 -4.906 542 HH TYR 65 HH TYR 65 59.889 -6.752 -5.561 543 H ASP 66 HN ASP 66 53.866 -8.106 0.992 544 HA ASP 66 HA ASP 66 55.607 -9.437 2.810 545 1HB ASP 66 HB2 ASP 66 53.575 -9.689 4.132 546 2HB ASP 66 HB1 ASP 66 53.535 -8.121 3.327 547 H GLN 67 HN GLN 67 53.550 -10.581 0.220 548 HA GLN 67 HA GLN 67 53.876 -13.414 1.118 549 1HB GLN 67 HB2 GLN 67 52.088 -13.832 -0.493 550 2HB GLN 67 HB1 GLN 67 51.635 -12.462 0.522 551 1HG GLN 67 HG2 GLN 67 52.332 -10.892 -1.204 552 2HG GLN 67 HG1 GLN 67 52.936 -12.213 -2.206 553 1HE2 GLN 67 HE22 GLN 67 49.101 -11.182 -2.553 554 2HE2 GLN 67 HE21 GLN 67 50.287 -10.203 -1.837 555 H TYR 68 HN TYR 68 54.713 -11.174 -1.494 556 HA TYR 68 HA TYR 68 56.046 -13.348 -3.022 557 1HB TYR 68 HB2 TYR 68 55.607 -10.388 -3.540 558 2HB TYR 68 HB1 TYR 68 56.298 -11.524 -4.700 559 HD1 TYR 68 HD2 TYR 68 54.594 -13.930 -4.084 560 HD2 TYR 68 HD1 TYR 68 53.575 -9.792 -4.617 561 HE1 TYR 68 HE2 TYR 68 52.312 -14.585 -4.804 562 HE2 TYR 68 HE1 TYR 68 51.293 -10.446 -5.338 563 HH TYR 68 HH TYR 68 49.942 -12.138 -5.848 564 H GLY 69 HN GLY 69 58.271 -12.590 -3.969 565 1HA GLY 69 HA2 GLY 69 59.858 -11.171 -1.873 566 2HA GLY 69 HA1 GLY 69 60.425 -12.705 -2.537 567 H HIS 70 HN HIS 70 59.641 -12.284 -5.233 568 HA HIS 70 HA HIS 70 60.985 -9.793 -6.117 569 1HB HIS 70 HB2 HIS 70 62.290 -12.305 -5.801 570 2HB HIS 70 HB1 HIS 70 62.133 -12.007 -7.532 571 HD1 HIS 70 HD1 HIS 70 62.979 -9.773 -4.538 572 HD2 HIS 70 HD2 HIS 70 64.361 -10.632 -8.376 573 HE1 HIS 70 HE1 HIS 70 64.987 -8.279 -4.928 574 H ALA 71 HN ALA 71 58.801 -9.460 -7.016 575 HA ALA 71 HA ALA 71 57.182 -9.636 -8.741 576 1HB ALA 71 HB3 ALA 71 59.899 -9.875 -9.735 577 2HB ALA 71 HB2 ALA 71 58.782 -10.755 -10.777 578 3HB ALA 71 HB1 ALA 71 58.527 -9.039 -10.462 579 H ALA 72 HN ALA 72 57.713 -12.015 -6.953 580 HA ALA 72 HA ALA 72 57.804 -14.525 -8.021 581 1HB ALA 72 HB1 ALA 72 56.560 -13.200 -5.798 582 2HB ALA 72 HB3 ALA 72 55.455 -14.435 -6.403 583 3HB ALA 72 HB2 ALA 72 57.089 -14.879 -5.910 584 H PHE 73 HN PHE 73 54.676 -12.766 -7.844 585 HA PHE 73 HA PHE 73 53.926 -14.028 -10.453 586 1HB PHE 73 HB2 PHE 73 52.939 -14.584 -7.827 587 2HB PHE 73 HB1 PHE 73 51.651 -13.787 -8.732 588 HD1 PHE 73 HD1 PHE 73 52.335 -14.668 -11.507 589 HD2 PHE 73 HD2 PHE 73 52.235 -16.854 -7.811 590 HE1 PHE 73 HE1 PHE 73 51.917 -16.768 -12.760 591 HE2 PHE 73 HE2 PHE 73 51.816 -18.952 -9.064 592 HZ PHE 73 HZ PHE 73 51.657 -18.910 -11.538 593 H GLU 74 HN GLU 74 54.835 -11.285 -9.796 594 HA GLU 74 HA GLU 74 52.389 -9.623 -9.952 595 1HB GLU 74 HB2 GLU 74 55.047 -9.392 -8.994 596 2HB GLU 74 HB1 GLU 74 54.891 -8.228 -10.312 597 1HG GLU 74 HG2 GLU 74 53.053 -7.136 -9.271 598 2HG GLU 74 HG1 GLU 74 52.815 -8.457 -8.129 599 H GLN 75 HN GLN 75 54.941 -10.852 -12.028 600 HA GLN 75 HA GLN 75 55.376 -10.495 -14.335 601 1HB GLN 75 HB2 GLN 75 52.918 -11.534 -13.837 602 2HB GLN 75 HB1 GLN 75 52.459 -10.089 -14.740 603 1HG GLN 75 HG2 GLN 75 52.766 -11.793 -16.381 604 2HG GLN 75 HG1 GLN 75 54.214 -10.790 -16.467 605 1HE2 GLN 75 HE22 GLN 75 54.686 -14.325 -14.412 606 2HE2 GLN 75 HE21 GLN 75 53.302 -13.382 -14.132 607 H GLY 76 HN GLY 76 56.180 -8.215 -13.513 608 1HA GLY 76 HA2 GLY 76 56.356 -6.105 -14.794 609 2HA GLY 76 HA1 GLY 76 54.602 -6.143 -14.983 610 H GLY 77 HN GLY 77 56.983 -4.609 -13.326 611 1HA GLY 77 HA2 GLY 77 55.080 -3.842 -11.172 612 2HA GLY 77 HA1 GLY 77 56.718 -4.316 -10.722 No H/Q in entry = 612 Start of MODEL 12 1 1H ALA 1 HT1 ALA 1 68.909 -11.717 8.633 2 2H ALA 1 HT3 ALA 1 69.997 -12.879 9.218 3 3H ALA 1 HT2 ALA 1 69.296 -13.071 7.683 4 HA ALA 1 HA ALA 1 68.190 -14.547 9.213 5 1HB ALA 1 HB2 ALA 1 68.970 -12.788 11.051 6 2HB ALA 1 HB1 ALA 1 67.337 -12.163 10.817 7 3HB ALA 1 HB3 ALA 1 67.577 -13.830 11.338 8 H LYS 2 HN LYS 2 67.635 -12.607 6.896 9 HA LYS 2 HA LYS 2 65.737 -12.159 5.552 10 1HB LYS 2 HB2 LYS 2 65.222 -14.459 6.781 11 2HB LYS 2 HB1 LYS 2 64.022 -13.483 7.628 12 1HG LYS 2 HG2 LYS 2 63.315 -12.670 5.272 13 2HG LYS 2 HG1 LYS 2 64.225 -14.059 4.675 14 1HD LYS 2 HD2 LYS 2 62.621 -14.969 6.844 15 2HD LYS 2 HD1 LYS 2 61.582 -14.015 5.784 16 1HE LYS 2 HE2 LYS 2 61.485 -16.202 4.855 17 2HE LYS 2 HE1 LYS 2 62.695 -15.380 3.851 18 1HZ LYS 2 HZ3 LYS 2 64.255 -16.165 5.802 19 2HZ LYS 2 HZ2 LYS 2 63.077 -17.379 5.956 20 3HZ LYS 2 HZ1 LYS 2 63.912 -17.182 4.489 21 H GLN 3 HN GLN 3 65.938 -9.861 6.127 22 HA GLN 3 HA GLN 3 64.016 -8.946 8.241 23 1HB GLN 3 HB2 GLN 3 66.554 -7.834 7.026 24 2HB GLN 3 HB1 GLN 3 65.454 -6.811 7.951 25 1HG GLN 3 HG2 GLN 3 66.776 -7.523 9.690 26 2HG GLN 3 HG1 GLN 3 65.639 -8.870 9.668 27 1HE2 GLN 3 HE22 GLN 3 69.463 -9.445 8.302 28 2HE2 GLN 3 HE21 GLN 3 68.868 -7.867 8.490 29 H ASP 4 HN ASP 4 62.253 -7.871 7.573 30 HA ASP 4 HA ASP 4 61.374 -7.678 4.915 31 1HB ASP 4 HB2 ASP 4 60.276 -7.364 7.275 32 2HB ASP 4 HB1 ASP 4 60.671 -5.662 7.031 33 H TYR 5 HN TYR 5 60.686 -5.123 4.272 34 HA TYR 5 HA TYR 5 63.317 -3.708 4.070 35 1HB TYR 5 HB2 TYR 5 61.507 -2.995 1.945 36 2HB TYR 5 HB1 TYR 5 63.093 -3.751 1.837 37 HD1 TYR 5 HD1 TYR 5 59.474 -4.517 2.451 38 HD2 TYR 5 HD2 TYR 5 63.309 -5.998 1.207 39 HE1 TYR 5 HE1 TYR 5 58.427 -6.657 1.759 40 HE2 TYR 5 HE2 TYR 5 62.263 -8.134 0.516 41 HH TYR 5 HH TYR 5 59.639 -9.287 1.489 42 H TYR 6 HN TYR 6 60.934 -3.380 5.980 43 HA TYR 6 HA TYR 6 59.977 -0.669 5.294 44 1HB TYR 6 HB2 TYR 6 58.293 -1.229 6.715 45 2HB TYR 6 HB1 TYR 6 58.967 -2.853 6.678 46 HD1 TYR 6 HD1 TYR 6 59.670 0.426 8.411 47 HD2 TYR 6 HD2 TYR 6 59.353 -3.845 8.734 48 HE1 TYR 6 HE1 TYR 6 60.169 0.564 10.830 49 HE2 TYR 6 HE2 TYR 6 59.845 -3.693 11.156 50 HH TYR 6 HH TYR 6 60.825 -2.248 12.745 51 H GLU 7 HN GLU 7 61.823 -2.265 7.877 52 HA GLU 7 HA GLU 7 62.709 0.148 9.149 53 1HB GLU 7 HB2 GLU 7 63.000 -2.719 9.332 54 2HB GLU 7 HB1 GLU 7 64.583 -1.962 9.505 55 1HG GLU 7 HG2 GLU 7 62.613 -0.461 10.992 56 2HG GLU 7 HG1 GLU 7 62.564 -2.157 11.474 57 H ILE 8 HN ILE 8 63.841 -1.716 6.397 58 HA ILE 8 HA ILE 8 66.503 -0.996 6.108 59 HB ILE 8 HB ILE 8 64.166 -1.537 4.359 60 1HG1 ILE 8 HG12 ILE 8 65.864 -3.111 3.352 61 2HG1 ILE 8 HG11 ILE 8 67.038 -2.496 4.516 62 1HG2 ILE 8 HG22 ILE 8 66.595 -0.037 3.380 63 2HG2 ILE 8 HG21 ILE 8 65.671 -1.093 2.311 64 3HG2 ILE 8 HG23 ILE 8 64.895 0.301 3.059 65 1HD1 ILE 8 HD13 ILE 8 64.419 -3.379 5.619 66 2HD1 ILE 8 HD12 ILE 8 65.489 -4.647 5.020 67 3HD1 ILE 8 HD11 ILE 8 66.040 -3.556 6.290 68 H LEU 9 HN LEU 9 63.656 1.056 5.896 69 HA LEU 9 HA LEU 9 65.346 3.383 5.058 70 1HB LEU 9 HB2 LEU 9 62.346 2.948 5.228 71 2HB LEU 9 HB1 LEU 9 63.122 4.404 4.607 72 HG LEU 9 HG LEU 9 64.202 2.019 3.345 73 1HD1 LEU 9 HD11 LEU 9 61.215 2.488 3.265 74 2HD1 LEU 9 HD13 LEU 9 62.074 1.596 2.009 75 3HD1 LEU 9 HD12 LEU 9 62.061 0.994 3.668 76 1HD2 LEU 9 HD22 LEU 9 64.418 4.342 2.513 77 2HD2 LEU 9 HD21 LEU 9 63.630 3.309 1.323 78 3HD2 LEU 9 HD23 LEU 9 62.669 4.420 2.297 79 H GLY 10 HN GLY 10 65.157 2.126 7.867 80 1HA GLY 10 HA2 GLY 10 64.830 2.854 10.090 81 2HA GLY 10 HA1 GLY 10 65.352 4.419 9.456 82 H VAL 11 HN VAL 11 62.459 2.330 9.545 83 HA VAL 11 HA VAL 11 60.808 4.771 10.041 84 HB VAL 11 HB VAL 11 60.101 2.591 8.059 85 1HG1 VAL 11 HG11 VAL 11 58.736 4.834 9.126 86 2HG1 VAL 11 HG13 VAL 11 59.135 5.226 7.454 87 3HG1 VAL 11 HG12 VAL 11 58.211 3.770 7.821 88 1HG2 VAL 11 HG22 VAL 11 61.862 4.998 7.754 89 2HG2 VAL 11 HG21 VAL 11 62.009 3.405 7.011 90 3HG2 VAL 11 HG23 VAL 11 60.807 4.549 6.414 91 H SER 12 HN SER 12 58.528 2.684 9.458 92 HA SER 12 HA SER 12 58.742 0.990 11.887 93 1HB SER 12 HB2 SER 12 57.326 3.472 11.647 94 2HB SER 12 HB1 SER 12 56.153 2.172 11.833 95 HG SER 12 HG SER 12 57.278 3.228 13.776 96 H LYS 13 HN LYS 13 57.765 1.391 8.656 97 HA LYS 13 HA LYS 13 56.787 -0.161 7.185 98 1HB LYS 13 HB2 LYS 13 57.069 -2.273 7.905 99 2HB LYS 13 HB1 LYS 13 57.476 -1.616 9.487 100 1HG LYS 13 HG2 LYS 13 54.908 -1.547 9.889 101 2HG LYS 13 HG1 LYS 13 54.817 -2.655 8.520 102 1HD LYS 13 HD2 LYS 13 55.930 -4.358 9.643 103 2HD LYS 13 HD1 LYS 13 56.773 -3.238 10.714 104 1HE LYS 13 HE2 LYS 13 54.697 -2.788 11.942 105 2HE LYS 13 HE1 LYS 13 53.794 -3.836 10.830 106 1HZ LYS 13 HZ2 LYS 13 55.818 -5.432 11.482 107 2HZ LYS 13 HZ1 LYS 13 55.675 -4.553 12.930 108 3HZ LYS 13 HZ3 LYS 13 54.345 -5.416 12.327 109 H THR 14 HN THR 14 55.100 0.808 10.144 110 HA THR 14 HA THR 14 52.449 0.469 8.888 111 HB THR 14 HB THR 14 51.652 0.996 11.072 112 HG1 THR 14 HG1 THR 14 54.212 2.121 11.550 113 1HG2 THR 14 HG21 THR 14 53.356 -1.033 10.791 114 2HG2 THR 14 HG23 THR 14 54.305 -0.076 11.928 115 3HG2 THR 14 HG22 THR 14 52.683 -0.612 12.366 116 H ALA 15 HN ALA 15 54.971 2.776 9.207 117 HA ALA 15 HA ALA 15 53.697 5.275 9.182 118 1HB ALA 15 HB2 ALA 15 56.166 4.697 9.275 119 2HB ALA 15 HB1 ALA 15 56.094 4.375 7.543 120 3HB ALA 15 HB3 ALA 15 55.784 6.001 8.151 121 H GLU 16 HN GLU 16 54.318 6.498 6.834 122 HA GLU 16 HA GLU 16 53.004 5.048 4.609 123 1HB GLU 16 HB2 GLU 16 52.037 7.573 5.990 124 2HB GLU 16 HB1 GLU 16 51.523 7.142 4.355 125 1HG GLU 16 HG2 GLU 16 51.204 5.351 6.782 126 2HG GLU 16 HG1 GLU 16 49.923 6.359 6.107 127 H GLU 17 HN GLU 17 52.964 8.359 4.127 128 HA GLU 17 HA GLU 17 55.477 8.258 2.559 129 1HB GLU 17 HB2 GLU 17 53.018 9.969 2.746 130 2HB GLU 17 HB1 GLU 17 54.476 10.669 2.040 131 1HG GLU 17 HG2 GLU 17 53.635 7.951 1.116 132 2HG GLU 17 HG1 GLU 17 52.723 9.345 0.535 133 H ARG 18 HN ARG 18 53.963 10.109 5.171 134 HA ARG 18 HA ARG 18 55.625 12.156 5.731 135 1HB ARG 18 HB2 ARG 18 55.207 11.512 8.211 136 2HB ARG 18 HB1 ARG 18 53.808 11.770 7.172 137 1HG ARG 18 HG2 ARG 18 53.212 9.752 8.127 138 2HG ARG 18 HG1 ARG 18 54.101 9.149 6.734 139 1HD ARG 18 HD2 ARG 18 55.327 7.988 8.262 140 2HD ARG 18 HD1 ARG 18 56.107 9.544 8.607 141 HE ARG 18 HE ARG 18 54.565 9.862 10.464 142 1HH1 ARG 18 HH21 ARG 18 52.551 7.954 8.922 143 2HH1 ARG 18 HH22 ARG 18 52.408 6.701 10.108 144 1HH2 ARG 18 HH11 ARG 18 55.145 7.767 11.950 145 2HH2 ARG 18 HH12 ARG 18 53.878 6.592 11.821 146 H GLU 19 HN GLU 19 56.527 8.796 6.701 147 HA GLU 19 HA GLU 19 59.166 9.923 7.485 148 1HB GLU 19 HB2 GLU 19 57.525 7.801 8.393 149 2HB GLU 19 HB1 GLU 19 58.978 7.062 7.710 150 1HG GLU 19 HG2 GLU 19 60.351 7.977 9.276 151 2HG GLU 19 HG1 GLU 19 59.439 9.485 9.335 152 H ILE 20 HN ILE 20 57.833 7.346 5.427 153 HA ILE 20 HA ILE 20 60.167 6.601 4.108 154 HB ILE 20 HB ILE 20 57.288 6.555 3.729 155 1HG1 ILE 20 HG12 ILE 20 57.831 4.316 2.858 156 2HG1 ILE 20 HG11 ILE 20 59.539 4.755 2.821 157 1HG2 ILE 20 HG22 ILE 20 58.986 7.127 1.346 158 2HG2 ILE 20 HG21 ILE 20 57.738 5.898 1.175 159 3HG2 ILE 20 HG23 ILE 20 57.300 7.540 1.643 160 1HD1 ILE 20 HD12 ILE 20 59.386 5.234 5.291 161 2HD1 ILE 20 HD11 ILE 20 57.760 4.552 5.262 162 3HD1 ILE 20 HD13 ILE 20 59.148 3.538 4.869 163 H ARG 21 HN ARG 21 58.378 9.625 3.959 164 HA ARG 21 HA ARG 21 59.820 10.495 1.543 165 1HB ARG 21 HB2 ARG 21 58.263 12.274 1.546 166 2HB ARG 21 HB1 ARG 21 57.349 10.966 2.291 167 1HG ARG 21 HG2 ARG 21 57.767 11.831 4.493 168 2HG ARG 21 HG1 ARG 21 58.909 13.023 3.873 169 1HD ARG 21 HD2 ARG 21 56.287 13.174 2.558 170 2HD ARG 21 HD1 ARG 21 56.217 13.502 4.301 171 HE ARG 21 HE ARG 21 58.214 14.871 2.537 172 1HH1 ARG 21 HH11 ARG 21 58.430 15.397 5.429 173 2HH1 ARG 21 HH12 ARG 21 57.455 16.812 5.642 174 1HH2 ARG 21 HH21 ARG 21 55.805 16.456 2.614 175 2HH2 ARG 21 HH22 ARG 21 55.967 17.411 4.050 176 H LYS 22 HN LYS 22 60.353 10.495 4.878 177 HA LYS 22 HA LYS 22 62.321 12.732 4.669 178 1HB LYS 22 HB2 LYS 22 60.332 12.624 6.397 179 2HB LYS 22 HB1 LYS 22 61.353 11.448 7.224 180 1HG LYS 22 HG2 LYS 22 63.182 13.388 6.752 181 2HG LYS 22 HG1 LYS 22 61.729 14.377 6.888 182 1HD LYS 22 HD2 LYS 22 62.893 14.037 9.079 183 2HD LYS 22 HD1 LYS 22 61.234 13.437 9.077 184 1HE LYS 22 HE2 LYS 22 61.911 11.184 9.003 185 2HE LYS 22 HE1 LYS 22 63.524 11.595 8.384 186 1HZ LYS 22 HZ2 LYS 22 62.682 12.747 10.945 187 2HZ LYS 22 HZ1 LYS 22 63.148 11.114 10.927 188 3HZ LYS 22 HZ3 LYS 22 64.236 12.311 10.416 189 H ALA 23 HN ALA 23 61.730 9.362 5.229 190 HA ALA 23 HA ALA 23 64.466 8.795 6.209 191 1HB ALA 23 HB1 ALA 23 61.918 7.297 5.647 192 2HB ALA 23 HB3 ALA 23 63.426 6.394 5.797 193 3HB ALA 23 HB2 ALA 23 62.849 7.377 7.143 194 H TYR 24 HN TYR 24 62.456 8.052 3.337 195 HA TYR 24 HA TYR 24 64.235 6.672 1.722 196 1HB TYR 24 HB2 TYR 24 62.005 7.187 0.990 197 2HB TYR 24 HB1 TYR 24 62.290 8.920 1.134 198 HD1 TYR 24 HD1 TYR 24 64.118 9.956 -0.359 199 HD2 TYR 24 HD2 TYR 24 62.395 6.087 -1.061 200 HE1 TYR 24 HE1 TYR 24 64.890 10.042 -2.713 201 HE2 TYR 24 HE2 TYR 24 63.166 6.171 -3.414 202 HH TYR 24 HH TYR 24 65.413 8.483 -4.527 203 H LYS 25 HN LYS 25 64.077 10.184 2.263 204 HA LYS 25 HA LYS 25 66.488 10.668 0.638 205 1HB LYS 25 HB2 LYS 25 64.207 12.069 1.238 206 2HB LYS 25 HB1 LYS 25 65.363 12.797 2.354 207 1HG LYS 25 HG2 LYS 25 66.671 12.473 -0.163 208 2HG LYS 25 HG1 LYS 25 65.111 13.242 -0.459 209 1HD LYS 25 HD2 LYS 25 66.602 15.038 -0.012 210 2HD LYS 25 HD1 LYS 25 65.698 14.811 1.487 211 1HE LYS 25 HE2 LYS 25 67.601 13.302 2.274 212 2HE LYS 25 HE1 LYS 25 68.524 13.895 0.877 213 1HZ LYS 25 HZ1 LYS 25 67.562 16.179 1.783 214 2HZ LYS 25 HZ3 LYS 25 67.624 15.335 3.253 215 3HZ LYS 25 HZ2 LYS 25 69.036 15.539 2.332 216 H ARG 26 HN ARG 26 65.526 10.741 4.109 217 HA ARG 26 HA ARG 26 68.100 11.722 5.025 218 1HB ARG 26 HB2 ARG 26 66.003 11.815 6.332 219 2HB ARG 26 HB1 ARG 26 65.987 10.052 6.430 220 1HG ARG 26 HG2 ARG 26 66.941 10.974 8.486 221 2HG ARG 26 HG1 ARG 26 68.201 10.138 7.579 222 1HD ARG 26 HD2 ARG 26 69.409 12.047 7.395 223 2HD ARG 26 HD1 ARG 26 68.007 12.924 6.752 224 HE ARG 26 HE ARG 26 67.266 12.893 9.289 225 1HH1 ARG 26 HH21 ARG 26 69.739 14.496 7.809 226 2HH1 ARG 26 HH22 ARG 26 70.663 14.814 9.239 227 1HH2 ARG 26 HH11 ARG 26 68.773 12.714 11.250 228 2HH2 ARG 26 HH12 ARG 26 70.117 13.804 11.186 229 H LEU 27 HN LEU 27 66.950 8.565 4.055 230 HA LEU 27 HA LEU 27 69.298 7.213 5.286 231 1HB LEU 27 HB2 LEU 27 66.615 6.547 4.614 232 2HB LEU 27 HB1 LEU 27 67.666 5.540 3.620 233 HG LEU 27 HG LEU 27 67.082 4.569 5.894 234 1HD1 LEU 27 HD12 LEU 27 70.003 5.127 5.287 235 2HD1 LEU 27 HD11 LEU 27 69.410 3.840 6.336 236 3HD1 LEU 27 HD13 LEU 27 69.043 3.811 4.612 237 1HD2 LEU 27 HD23 LEU 27 67.912 7.157 6.713 238 2HD2 LEU 27 HD22 LEU 27 67.414 5.814 7.743 239 3HD2 LEU 27 HD21 LEU 27 69.115 6.023 7.326 240 H ALA 28 HN ALA 28 68.117 8.341 2.183 241 HA ALA 28 HA ALA 28 69.922 6.738 0.565 242 1HB ALA 28 HB1 ALA 28 67.968 8.920 0.274 243 2HB ALA 28 HB3 ALA 28 69.267 8.925 -0.919 244 3HB ALA 28 HB2 ALA 28 68.234 7.504 -0.745 245 H MET 29 HN MET 29 70.093 9.792 2.262 246 HA MET 29 HA MET 29 72.168 11.167 1.001 247 1HB MET 29 HB2 MET 29 70.890 11.640 3.146 248 2HB MET 29 HB1 MET 29 72.006 10.535 3.948 249 1HG MET 29 HG2 MET 29 73.637 12.087 4.013 250 2HG MET 29 HG1 MET 29 73.426 12.466 2.304 251 1HE MET 29 HE1 MET 29 74.147 13.784 4.922 252 2HE MET 29 HE3 MET 29 73.597 15.453 4.718 253 3HE MET 29 HE2 MET 29 72.832 14.409 5.915 254 H LYS 30 HN LYS 30 72.320 8.473 3.233 255 HA LYS 30 HA LYS 30 75.101 8.042 3.466 256 1HB LYS 30 HB2 LYS 30 72.535 6.766 3.922 257 2HB LYS 30 HB1 LYS 30 73.734 5.582 3.394 258 1HG LYS 30 HG2 LYS 30 74.558 5.568 5.490 259 2HG LYS 30 HG1 LYS 30 75.089 7.229 5.228 260 1HD LYS 30 HD2 LYS 30 72.234 7.081 5.812 261 2HD LYS 30 HD1 LYS 30 73.209 6.388 7.108 262 1HE LYS 30 HE2 LYS 30 74.161 8.409 7.655 263 2HE LYS 30 HE1 LYS 30 74.173 8.971 5.970 264 1HZ LYS 30 HZ3 LYS 30 71.624 8.870 6.218 265 2HZ LYS 30 HZ2 LYS 30 71.932 8.919 7.888 266 3HZ LYS 30 HZ1 LYS 30 72.450 10.190 6.889 267 H TYR 31 HN TYR 31 72.981 7.646 0.800 268 HA TYR 31 HA TYR 31 75.069 6.055 -0.667 269 1HB TYR 31 HB2 TYR 31 72.082 5.872 -1.108 270 2HB TYR 31 HB1 TYR 31 73.330 4.710 -1.574 271 HD1 TYR 31 HD2 TYR 31 74.939 4.224 0.688 272 HD2 TYR 31 HD1 TYR 31 70.726 5.054 0.600 273 HE1 TYR 31 HE2 TYR 31 74.666 3.058 2.859 274 HE2 TYR 31 HE1 TYR 31 70.453 3.891 2.774 275 HH TYR 31 HH TYR 31 72.571 3.385 4.866 276 H HIS 32 HN HIS 32 72.935 8.793 -0.709 277 HA HIS 32 HA HIS 32 72.258 9.518 -3.198 278 1HB HIS 32 HB2 HIS 32 73.193 10.814 -0.846 279 2HB HIS 32 HB1 HIS 32 73.929 11.636 -2.227 280 HD1 HIS 32 HD1 HIS 32 70.476 10.421 -1.139 281 HD2 HIS 32 HD2 HIS 32 72.211 13.408 -3.474 282 HE1 HIS 32 HE1 HIS 32 68.583 11.912 -1.918 283 HA PRO 33 HA PRO 33 75.460 9.191 -6.169 284 1HB PRO 33 HB2 PRO 33 74.793 11.362 -7.733 285 2HB PRO 33 HB1 PRO 33 73.892 9.833 -7.732 286 1HG PRO 33 HG2 PRO 33 73.331 12.349 -6.215 287 2HG PRO 33 HG1 PRO 33 72.226 11.350 -7.183 288 1HD PRO 33 HD2 PRO 33 72.252 11.098 -4.551 289 2HD PRO 33 HD1 PRO 33 72.160 9.648 -5.581 290 H ASP 34 HN ASP 34 76.553 11.584 -7.502 291 HA ASP 34 HA ASP 34 78.239 13.222 -7.147 292 1HB ASP 34 HB2 ASP 34 76.423 13.387 -4.957 293 2HB ASP 34 HB1 ASP 34 78.047 13.420 -4.268 294 H ARG 35 HN ARG 35 78.117 11.316 -4.142 295 HA ARG 35 HA ARG 35 80.968 10.615 -4.351 296 1HB ARG 35 HB2 ARG 35 80.549 9.812 -2.116 297 2HB ARG 35 HB1 ARG 35 79.627 11.306 -2.269 298 1HG ARG 35 HG2 ARG 35 77.640 9.872 -2.959 299 2HG ARG 35 HG1 ARG 35 78.588 8.464 -2.481 300 1HD ARG 35 HD2 ARG 35 77.562 8.855 -0.448 301 2HD ARG 35 HD1 ARG 35 78.898 10.009 -0.260 302 HE ARG 35 HE ARG 35 76.402 10.933 -1.597 303 1HH1 ARG 35 HH11 ARG 35 79.054 12.199 -0.230 304 2HH1 ARG 35 HH12 ARG 35 78.263 13.125 1.002 305 1HH2 ARG 35 HH21 ARG 35 75.178 11.611 0.533 306 2HH2 ARG 35 HH22 ARG 35 76.068 12.796 1.431 307 H ASN 36 HN ASN 36 77.775 9.339 -4.838 308 HA ASN 36 HA ASN 36 78.681 6.541 -5.216 309 1HB ASN 36 HB2 ASN 36 76.141 8.091 -4.828 310 2HB ASN 36 HB1 ASN 36 76.046 6.543 -5.667 311 1HD2 ASN 36 HD22 ASN 36 76.281 4.668 -2.730 312 2HD2 ASN 36 HD21 ASN 36 75.816 4.757 -4.358 313 H GLN 37 HN GLN 37 78.050 9.369 -7.052 314 HA GLN 37 HA GLN 37 77.956 9.716 -9.370 315 1HB GLN 37 HB2 GLN 37 78.783 6.811 -9.520 316 2HB GLN 37 HB1 GLN 37 79.070 8.056 -10.735 317 1HG GLN 37 HG2 GLN 37 80.105 8.801 -8.099 318 2HG GLN 37 HG1 GLN 37 80.843 7.329 -8.729 319 1HE2 GLN 37 HE22 GLN 37 82.074 10.809 -10.207 320 2HE2 GLN 37 HE21 GLN 37 81.258 10.627 -8.729 321 H GLY 38 HN GLY 38 75.602 9.799 -8.808 322 1HA GLY 38 HA2 GLY 38 73.410 9.303 -9.490 323 2HA GLY 38 HA1 GLY 38 74.094 8.167 -10.658 324 H ASP 39 HN ASP 39 75.325 6.277 -9.305 325 HA ASP 39 HA ASP 39 73.731 5.446 -6.951 326 1HB ASP 39 HB2 ASP 39 73.634 4.112 -9.659 327 2HB ASP 39 HB1 ASP 39 73.152 3.280 -8.179 328 H LYS 40 HN LYS 40 75.296 3.206 -9.125 329 HA LYS 40 HA LYS 40 77.178 1.845 -8.855 330 1HB LYS 40 HB2 LYS 40 77.997 4.214 -7.228 331 2HB LYS 40 HB1 LYS 40 79.105 2.976 -7.788 332 1HG LYS 40 HG2 LYS 40 77.388 4.722 -9.579 333 2HG LYS 40 HG1 LYS 40 79.101 4.990 -9.260 334 1HD LYS 40 HD2 LYS 40 79.707 2.915 -10.306 335 2HD LYS 40 HD1 LYS 40 78.023 2.403 -10.403 336 1HE LYS 40 HE2 LYS 40 77.581 3.731 -12.230 337 2HE LYS 40 HE1 LYS 40 78.702 5.002 -11.701 338 1HZ LYS 40 HZ1 LYS 40 79.624 2.315 -12.545 339 2HZ LYS 40 HZ3 LYS 40 79.469 3.600 -13.641 340 3HZ LYS 40 HZ2 LYS 40 80.553 3.723 -12.338 341 H GLU 41 HN GLU 41 77.080 3.454 -5.684 342 HA GLU 41 HA GLU 41 76.910 0.764 -4.401 343 1HB GLU 41 HB2 GLU 41 77.731 3.553 -3.620 344 2HB GLU 41 HB1 GLU 41 77.201 2.448 -2.351 345 1HG GLU 41 HG2 GLU 41 78.887 0.833 -3.768 346 2HG GLU 41 HG1 GLU 41 79.668 2.401 -3.977 347 H ALA 42 HN ALA 42 75.030 3.436 -5.343 348 HA ALA 42 HA ALA 42 72.912 3.034 -3.330 349 1HB ALA 42 HB2 ALA 42 73.846 5.104 -5.022 350 2HB ALA 42 HB1 ALA 42 72.246 4.677 -5.627 351 3HB ALA 42 HB3 ALA 42 72.452 5.168 -3.945 352 H GLU 43 HN GLU 43 73.945 1.664 -6.270 353 HA GLU 43 HA GLU 43 71.527 1.160 -7.654 354 1HB GLU 43 HB2 GLU 43 73.963 0.727 -8.285 355 2HB GLU 43 HB1 GLU 43 73.869 -0.730 -7.295 356 1HG GLU 43 HG2 GLU 43 73.056 -1.779 -9.123 357 2HG GLU 43 HG1 GLU 43 71.579 -0.842 -8.891 358 H ALA 44 HN ALA 44 73.072 -0.677 -4.991 359 HA ALA 44 HA ALA 44 70.766 -2.533 -4.877 360 1HB ALA 44 HB2 ALA 44 73.313 -2.236 -3.238 361 2HB ALA 44 HB1 ALA 44 72.170 -3.569 -3.082 362 3HB ALA 44 HB3 ALA 44 73.070 -3.350 -4.584 363 H LYS 45 HN LYS 45 71.881 0.391 -3.309 364 HA LYS 45 HA LYS 45 70.050 -0.047 -1.031 365 1HB LYS 45 HB2 LYS 45 72.404 1.460 -1.537 366 2HB LYS 45 HB1 LYS 45 71.114 2.614 -1.165 367 1HG LYS 45 HG2 LYS 45 71.230 2.050 1.004 368 2HG LYS 45 HG1 LYS 45 70.833 0.382 0.589 369 1HD LYS 45 HD2 LYS 45 73.567 0.952 -0.135 370 2HD LYS 45 HD1 LYS 45 73.297 1.340 1.566 371 1HE LYS 45 HE2 LYS 45 72.095 -0.958 1.696 372 2HE LYS 45 HE1 LYS 45 72.921 -1.309 0.165 373 1HZ LYS 45 HZ3 LYS 45 74.300 -0.249 2.571 374 2HZ LYS 45 HZ2 LYS 45 74.226 -1.903 2.191 375 3HZ LYS 45 HZ1 LYS 45 75.017 -0.824 1.145 376 H PHE 46 HN PHE 46 70.347 2.049 -3.904 377 HA PHE 46 HA PHE 46 68.090 3.700 -3.504 378 1HB PHE 46 HB2 PHE 46 69.699 3.945 -5.356 379 2HB PHE 46 HB1 PHE 46 69.188 2.394 -6.024 380 HD1 PHE 46 HD1 PHE 46 67.723 5.677 -4.937 381 HD2 PHE 46 HD2 PHE 46 67.561 2.388 -7.695 382 HE1 PHE 46 HE1 PHE 46 65.905 6.812 -6.185 383 HE2 PHE 46 HE2 PHE 46 65.743 3.522 -8.944 384 HZ PHE 46 HZ PHE 46 64.914 5.734 -8.187 385 H LYS 47 HN LYS 47 68.335 0.333 -4.527 386 HA LYS 47 HA LYS 47 65.537 0.054 -5.121 387 1HB LYS 47 HB2 LYS 47 66.299 -2.029 -5.818 388 2HB LYS 47 HB1 LYS 47 67.887 -1.299 -5.645 389 1HG LYS 47 HG2 LYS 47 68.281 -2.345 -3.613 390 2HG LYS 47 HG1 LYS 47 66.574 -2.653 -3.308 391 1HD LYS 47 HD2 LYS 47 68.217 -3.890 -5.519 392 2HD LYS 47 HD1 LYS 47 67.729 -4.704 -4.031 393 1HE LYS 47 HE2 LYS 47 65.312 -4.034 -4.717 394 2HE LYS 47 HE1 LYS 47 66.010 -3.799 -6.332 395 1HZ LYS 47 HZ2 LYS 47 66.503 -6.240 -4.725 396 2HZ LYS 47 HZ1 LYS 47 65.205 -6.123 -5.815 397 3HZ LYS 47 HZ3 LYS 47 66.798 -5.999 -6.381 398 H GLU 48 HN GLU 48 67.778 -0.745 -2.450 399 HA GLU 48 HA GLU 48 65.840 -1.629 -0.594 400 1HB GLU 48 HB2 GLU 48 68.383 -0.014 -0.232 401 2HB GLU 48 HB1 GLU 48 67.528 -0.811 1.088 402 1HG GLU 48 HG2 GLU 48 68.041 -2.591 -1.183 403 2HG GLU 48 HG1 GLU 48 69.517 -1.967 -0.447 404 H ILE 49 HN ILE 49 66.472 1.468 -1.989 405 HA ILE 49 HA ILE 49 64.911 2.883 0.074 406 HB ILE 49 HB ILE 49 66.235 3.763 -2.511 407 1HG1 ILE 49 HG12 ILE 49 68.140 3.499 -1.285 408 2HG1 ILE 49 HG11 ILE 49 67.611 4.954 -0.447 409 1HG2 ILE 49 HG22 ILE 49 64.301 5.119 -1.649 410 2HG2 ILE 49 HG21 ILE 49 65.256 5.442 -0.203 411 3HG2 ILE 49 HG23 ILE 49 65.822 5.999 -1.778 412 1HD1 ILE 49 HD11 ILE 49 66.321 3.424 1.125 413 2HD1 ILE 49 HD13 ILE 49 67.210 2.084 0.398 414 3HD1 ILE 49 HD12 ILE 49 68.078 3.358 1.256 415 H LYS 50 HN LYS 50 64.812 3.016 -3.484 416 HA LYS 50 HA LYS 50 61.959 3.562 -3.376 417 1HB LYS 50 HB2 LYS 50 63.938 4.292 -5.023 418 2HB LYS 50 HB1 LYS 50 63.384 2.872 -5.913 419 1HG LYS 50 HG2 LYS 50 61.000 4.045 -5.317 420 2HG LYS 50 HG1 LYS 50 62.031 5.468 -5.471 421 1HD LYS 50 HD2 LYS 50 62.792 4.672 -7.685 422 2HD LYS 50 HD1 LYS 50 61.736 3.266 -7.536 423 1HE LYS 50 HE2 LYS 50 60.064 4.507 -8.429 424 2HE LYS 50 HE1 LYS 50 60.126 5.547 -6.992 425 1HZ LYS 50 HZ3 LYS 50 62.148 5.830 -9.115 426 2HZ LYS 50 HZ2 LYS 50 60.633 6.579 -9.289 427 3HZ LYS 50 HZ1 LYS 50 61.633 6.974 -7.973 428 H GLU 51 HN GLU 51 63.881 0.646 -3.638 429 HA GLU 51 HA GLU 51 61.677 -0.832 -4.938 430 1HB GLU 51 HB2 GLU 51 64.229 -1.114 -5.297 431 2HB GLU 51 HB1 GLU 51 64.244 -1.903 -3.727 432 1HG GLU 51 HG2 GLU 51 64.013 -3.350 -5.845 433 2HG GLU 51 HG1 GLU 51 62.990 -3.698 -4.454 434 H ALA 52 HN ALA 52 63.119 -0.264 -1.802 435 HA ALA 52 HA ALA 52 61.485 -2.315 -0.433 436 1HB ALA 52 HB1 ALA 52 63.945 -1.222 -0.060 437 2HB ALA 52 HB3 ALA 52 62.990 -0.197 1.010 438 3HB ALA 52 HB2 ALA 52 63.011 -1.942 1.251 439 H TYR 53 HN TYR 53 61.948 1.199 -0.225 440 HA TYR 53 HA TYR 53 59.585 1.662 1.371 441 1HB TYR 53 HB2 TYR 53 60.799 3.519 1.722 442 2HB TYR 53 HB1 TYR 53 61.981 2.898 0.594 443 HD1 TYR 53 HD2 TYR 53 60.833 3.159 -1.997 444 HD2 TYR 53 HD1 TYR 53 60.433 5.769 1.379 445 HE1 TYR 53 HE2 TYR 53 60.442 5.066 -3.523 446 HE2 TYR 53 HE1 TYR 53 60.048 7.683 -0.141 447 HH TYR 53 HH TYR 53 59.266 7.333 -3.370 448 H GLU 54 HN GLU 54 59.713 0.728 -1.781 449 HA GLU 54 HA GLU 54 57.871 2.647 -2.982 450 1HB GLU 54 HB2 GLU 54 58.981 1.602 -4.673 451 2HB GLU 54 HB1 GLU 54 59.362 0.202 -3.674 452 1HG GLU 54 HG2 GLU 54 57.274 -0.834 -4.154 453 2HG GLU 54 HG1 GLU 54 56.592 0.662 -4.796 454 H VAL 55 HN VAL 55 57.597 -0.341 -1.136 455 HA VAL 55 HA VAL 55 54.653 -0.312 -1.623 456 HB VAL 55 HB VAL 55 54.894 -2.543 -1.844 457 1HG1 VAL 55 HG13 VAL 55 57.270 -1.843 -2.504 458 2HG1 VAL 55 HG12 VAL 55 57.751 -2.495 -0.937 459 3HG1 VAL 55 HG11 VAL 55 56.979 -3.539 -2.130 460 1HG2 VAL 55 HG21 VAL 55 56.147 -2.494 0.922 461 2HG2 VAL 55 HG23 VAL 55 54.444 -2.756 0.553 462 3HG2 VAL 55 HG22 VAL 55 55.640 -3.952 0.079 463 H LEU 56 HN LEU 56 56.589 1.145 0.416 464 HA LEU 56 HA LEU 56 55.455 0.325 2.997 465 1HB LEU 56 HB2 LEU 56 57.555 2.011 1.868 466 2HB LEU 56 HB1 LEU 56 56.748 2.789 3.234 467 HG LEU 56 HG LEU 56 58.655 1.415 3.998 468 1HD1 LEU 56 HD11 LEU 56 55.910 1.167 4.846 469 2HD1 LEU 56 HD13 LEU 56 56.756 -0.354 5.133 470 3HD1 LEU 56 HD12 LEU 56 57.374 1.145 5.829 471 1HD2 LEU 56 HD22 LEU 56 57.821 -0.318 1.986 472 2HD2 LEU 56 HD21 LEU 56 59.044 -0.669 3.206 473 3HD2 LEU 56 HD23 LEU 56 57.372 -1.161 3.469 474 H THR 57 HN THR 57 54.183 1.978 0.436 475 HA THR 57 HA THR 57 52.514 3.741 2.205 476 HB THR 57 HB THR 57 53.173 5.470 0.884 477 HG1 THR 57 HG1 THR 57 51.580 5.276 -0.521 478 1HG2 THR 57 HG22 THR 57 55.266 4.078 0.570 479 2HG2 THR 57 HG21 THR 57 54.579 3.513 -0.953 480 3HG2 THR 57 HG23 THR 57 54.944 5.223 -0.731 481 H ASP 58 HN ASP 58 52.319 0.895 0.947 482 HA ASP 58 HA ASP 58 49.522 1.228 -0.047 483 1HB ASP 58 HB2 ASP 58 51.210 1.179 -1.911 484 2HB ASP 58 HB1 ASP 58 51.708 -0.421 -1.356 485 H SER 59 HN SER 59 48.191 -0.330 0.851 486 HA SER 59 HA SER 59 49.254 -2.198 2.804 487 1HB SER 59 HB2 SER 59 46.935 -2.629 3.213 488 2HB SER 59 HB1 SER 59 47.047 -0.923 2.790 489 HG SER 59 HG SER 59 46.268 -1.370 0.787 490 H GLN 60 HN GLN 60 47.679 -2.646 -0.395 491 HA GLN 60 HA GLN 60 47.657 -5.470 -0.493 492 1HB GLN 60 HB2 GLN 60 47.731 -5.056 -2.961 493 2HB GLN 60 HB1 GLN 60 46.618 -3.960 -2.134 494 1HG GLN 60 HG2 GLN 60 48.755 -2.433 -1.926 495 2HG GLN 60 HG1 GLN 60 49.323 -3.384 -3.299 496 1HE2 GLN 60 HE22 GLN 60 45.966 -1.042 -3.806 497 2HE2 GLN 60 HE21 GLN 60 46.329 -1.644 -2.262 498 H LYS 61 HN LYS 61 50.245 -3.170 -1.141 499 HA LYS 61 HA LYS 61 52.172 -4.998 -2.205 500 1HB LYS 61 HB2 LYS 61 51.851 -2.236 -1.299 501 2HB LYS 61 HB1 LYS 61 53.455 -2.867 -0.987 502 1HG LYS 61 HG2 LYS 61 53.701 -3.510 -3.333 503 2HG LYS 61 HG1 LYS 61 52.043 -3.005 -3.660 504 1HD LYS 61 HD2 LYS 61 53.089 -0.742 -2.512 505 2HD LYS 61 HD1 LYS 61 54.483 -1.368 -3.391 506 1HE LYS 61 HE2 LYS 61 52.674 -1.691 -5.329 507 2HE LYS 61 HE1 LYS 61 51.865 -0.376 -4.452 508 1HZ LYS 61 HZ2 LYS 61 54.756 -0.173 -4.849 509 2HZ LYS 61 HZ1 LYS 61 53.766 0.108 -6.201 510 3HZ LYS 61 HZ3 LYS 61 53.580 1.054 -4.805 511 H ARG 62 HN ARG 62 51.840 -3.477 1.023 512 HA ARG 62 HA ARG 62 53.883 -4.768 2.402 513 1HB ARG 62 HB2 ARG 62 51.022 -4.156 3.228 514 2HB ARG 62 HB1 ARG 62 52.328 -4.496 4.365 515 1HG ARG 62 HG2 ARG 62 53.441 -2.502 3.891 516 2HG ARG 62 HG1 ARG 62 52.695 -2.351 2.298 517 1HD ARG 62 HD2 ARG 62 51.149 -0.973 3.217 518 2HD ARG 62 HD1 ARG 62 50.574 -2.336 4.197 519 HE ARG 62 HE ARG 62 53.018 -1.074 5.215 520 1HH1 ARG 62 HH21 ARG 62 51.995 -1.967 7.463 521 2HH1 ARG 62 HH22 ARG 62 50.764 -0.882 8.018 522 1HH2 ARG 62 HH11 ARG 62 50.376 0.674 4.943 523 2HH2 ARG 62 HH12 ARG 62 49.849 0.615 6.592 524 H ALA 63 HN ALA 63 50.888 -6.062 1.169 525 HA ALA 63 HA ALA 63 51.249 -8.668 2.546 526 1HB ALA 63 HB2 ALA 63 49.036 -7.370 2.134 527 2HB ALA 63 HB1 ALA 63 49.196 -7.894 0.458 528 3HB ALA 63 HB3 ALA 63 49.040 -9.089 1.745 529 H ALA 64 HN ALA 64 51.587 -7.089 -0.571 530 HA ALA 64 HA ALA 64 52.131 -9.543 -2.089 531 1HB ALA 64 HB3 ALA 64 51.140 -7.244 -2.842 532 2HB ALA 64 HB2 ALA 64 52.815 -6.694 -2.843 533 3HB ALA 64 HB1 ALA 64 52.319 -8.011 -3.905 534 H TYR 65 HN TYR 65 54.033 -6.656 -1.227 535 HA TYR 65 HA TYR 65 56.588 -7.736 -1.938 536 1HB TYR 65 HB2 TYR 65 55.549 -5.346 -1.184 537 2HB TYR 65 HB1 TYR 65 56.310 -5.823 0.320 538 HD1 TYR 65 HD1 TYR 65 57.285 -6.429 -3.244 539 HD2 TYR 65 HD2 TYR 65 58.340 -4.666 0.527 540 HE1 TYR 65 HE1 TYR 65 59.510 -5.821 -4.152 541 HE2 TYR 65 HE2 TYR 65 60.567 -4.055 -0.381 542 HH TYR 65 HH TYR 65 61.626 -3.670 -2.543 543 H ASP 66 HN ASP 66 54.531 -7.958 0.860 544 HA ASP 66 HA ASP 66 56.170 -8.593 2.930 545 1HB ASP 66 HB2 ASP 66 54.116 -9.091 3.763 546 2HB ASP 66 HB1 ASP 66 53.478 -9.033 2.124 547 H GLN 67 HN GLN 67 55.213 -10.824 0.304 548 HA GLN 67 HA GLN 67 57.660 -12.133 -0.045 549 1HB GLN 67 HB2 GLN 67 56.322 -12.774 2.469 550 2HB GLN 67 HB1 GLN 67 56.635 -14.219 1.505 551 1HG GLN 67 HG2 GLN 67 58.900 -12.380 1.474 552 2HG GLN 67 HG1 GLN 67 58.488 -12.891 3.112 553 1HE2 GLN 67 HE22 GLN 67 59.049 -16.415 2.319 554 2HE2 GLN 67 HE21 GLN 67 57.933 -15.443 3.148 555 H TYR 68 HN TYR 68 55.924 -11.712 -1.944 556 HA TYR 68 HA TYR 68 54.325 -14.220 -2.322 557 1HB TYR 68 HB2 TYR 68 53.807 -11.425 -2.642 558 2HB TYR 68 HB1 TYR 68 53.746 -12.174 -4.242 559 HD1 TYR 68 HD1 TYR 68 52.261 -14.173 -4.624 560 HD2 TYR 68 HD2 TYR 68 52.099 -11.841 -1.019 561 HE1 TYR 68 HE1 TYR 68 50.043 -15.144 -4.094 562 HE2 TYR 68 HE2 TYR 68 49.879 -12.814 -0.491 563 HH TYR 68 HH TYR 68 48.015 -14.456 -2.728 564 H GLY 69 HN GLY 69 55.737 -11.842 -4.585 565 1HA GLY 69 HA2 GLY 69 57.031 -12.170 -6.513 566 2HA GLY 69 HA1 GLY 69 57.814 -13.468 -5.611 567 H HIS 70 HN HIS 70 54.372 -13.582 -6.160 568 HA HIS 70 HA HIS 70 54.798 -15.682 -8.252 569 1HB HIS 70 HB2 HIS 70 54.265 -16.429 -5.858 570 2HB HIS 70 HB1 HIS 70 52.682 -15.675 -6.087 571 HD1 HIS 70 HD1 HIS 70 54.808 -17.945 -8.320 572 HD2 HIS 70 HD2 HIS 70 50.935 -17.677 -6.804 573 HE1 HIS 70 HE1 HIS 70 53.524 -19.903 -9.287 574 H ALA 71 HN ALA 71 51.577 -15.532 -7.605 575 HA ALA 71 HA ALA 71 51.032 -13.902 -9.981 576 1HB ALA 71 HB1 ALA 71 49.314 -15.344 -7.939 577 2HB ALA 71 HB3 ALA 71 48.689 -14.599 -9.410 578 3HB ALA 71 HB2 ALA 71 49.806 -15.962 -9.516 579 H ALA 72 HN ALA 72 51.941 -12.976 -7.030 580 HA ALA 72 HA ALA 72 50.108 -11.364 -5.763 581 1HB ALA 72 HB2 ALA 72 53.011 -11.178 -6.422 582 2HB ALA 72 HB1 ALA 72 52.255 -9.745 -5.726 583 3HB ALA 72 HB3 ALA 72 52.224 -11.272 -4.848 584 H PHE 73 HN PHE 73 52.301 -9.474 -7.752 585 HA PHE 73 HA PHE 73 49.924 -8.106 -8.974 586 1HB PHE 73 HB2 PHE 73 52.197 -7.221 -7.449 587 2HB PHE 73 HB1 PHE 73 52.279 -6.503 -9.058 588 HD1 PHE 73 HD1 PHE 73 49.873 -5.679 -9.973 589 HD2 PHE 73 HD2 PHE 73 50.977 -6.068 -5.840 590 HE1 PHE 73 HE1 PHE 73 48.093 -4.070 -9.345 591 HE2 PHE 73 HE2 PHE 73 49.196 -4.460 -5.214 592 HZ PHE 73 HZ PHE 73 47.754 -3.461 -6.966 593 H GLU 74 HN GLU 74 52.498 -10.141 -9.681 594 HA GLU 74 HA GLU 74 53.554 -10.754 -11.707 595 1HB GLU 74 HB2 GLU 74 50.807 -9.932 -12.171 596 2HB GLU 74 HB1 GLU 74 51.801 -9.614 -13.594 597 1HG GLU 74 HG2 GLU 74 52.499 -11.894 -13.735 598 2HG GLU 74 HG1 GLU 74 51.866 -12.260 -12.131 599 H GLN 75 HN GLN 75 55.325 -9.192 -11.291 600 HA GLN 75 HA GLN 75 55.116 -6.653 -12.863 601 1HB GLN 75 HB2 GLN 75 56.072 -7.375 -10.281 602 2HB GLN 75 HB1 GLN 75 57.473 -6.883 -11.232 603 1HG GLN 75 HG2 GLN 75 56.570 -4.741 -11.670 604 2HG GLN 75 HG1 GLN 75 54.942 -5.241 -11.208 605 1HE2 GLN 75 HE22 GLN 75 55.539 -4.882 -7.698 606 2HE2 GLN 75 HE21 GLN 75 54.557 -5.650 -8.851 607 H GLY 76 HN GLY 76 55.580 -7.693 -14.931 608 1HA GLY 76 HA2 GLY 76 57.716 -7.595 -16.328 609 2HA GLY 76 HA1 GLY 76 58.374 -8.739 -15.158 610 H GLY 77 HN GLY 77 55.714 -10.114 -14.952 611 1HA GLY 77 HA2 GLY 77 54.341 -11.235 -16.823 612 2HA GLY 77 HA1 GLY 77 55.913 -11.636 -17.518 No H/Q in entry = 612 Start of MODEL 13 1 1H ALA 1 HT1 ALA 1 67.602 -11.055 7.362 2 2H ALA 1 HT3 ALA 1 69.122 -11.798 7.462 3 3H ALA 1 HT2 ALA 1 68.418 -11.510 5.943 4 HA ALA 1 HA ALA 1 68.153 -13.831 6.443 5 1HB ALA 1 HB2 ALA 1 67.748 -12.590 9.061 6 2HB ALA 1 HB1 ALA 1 66.540 -13.829 8.721 7 3HB ALA 1 HB3 ALA 1 68.257 -14.234 8.674 8 H LYS 2 HN LYS 2 65.728 -11.409 7.498 9 HA LYS 2 HA LYS 2 64.000 -11.952 5.230 10 1HB LYS 2 HB2 LYS 2 62.207 -13.065 6.543 11 2HB LYS 2 HB1 LYS 2 63.690 -14.019 6.544 12 1HG LYS 2 HG2 LYS 2 63.842 -12.189 8.727 13 2HG LYS 2 HG1 LYS 2 62.261 -12.970 8.792 14 1HD LYS 2 HD2 LYS 2 64.404 -14.851 8.142 15 2HD LYS 2 HD1 LYS 2 64.647 -14.067 9.704 16 1HE LYS 2 HE2 LYS 2 62.142 -14.628 10.141 17 2HE LYS 2 HE1 LYS 2 62.330 -15.781 8.804 18 1HZ LYS 2 HZ2 LYS 2 64.392 -15.648 10.895 19 2HZ LYS 2 HZ1 LYS 2 62.954 -16.495 11.214 20 3HZ LYS 2 HZ3 LYS 2 63.938 -16.959 9.914 21 H GLN 3 HN GLN 3 64.515 -9.518 5.557 22 HA GLN 3 HA GLN 3 62.676 -8.283 7.576 23 1HB GLN 3 HB2 GLN 3 64.137 -6.340 7.349 24 2HB GLN 3 HB1 GLN 3 65.135 -7.770 7.619 25 1HG GLN 3 HG2 GLN 3 64.950 -7.806 4.905 26 2HG GLN 3 HG1 GLN 3 64.889 -6.069 5.208 27 1HE2 GLN 3 HE22 GLN 3 68.452 -7.703 5.223 28 2HE2 GLN 3 HE21 GLN 3 67.102 -8.226 4.338 29 H ASP 4 HN ASP 4 61.259 -6.630 6.883 30 HA ASP 4 HA ASP 4 60.355 -6.866 4.089 31 1HB ASP 4 HB2 ASP 4 58.871 -6.893 6.093 32 2HB ASP 4 HB1 ASP 4 59.368 -5.240 6.453 33 H TYR 5 HN TYR 5 62.931 -5.386 5.032 34 HA TYR 5 HA TYR 5 64.062 -3.376 4.557 35 1HB TYR 5 HB2 TYR 5 62.578 -2.606 2.232 36 2HB TYR 5 HB1 TYR 5 64.168 -3.361 2.310 37 HD1 TYR 5 HD1 TYR 5 64.012 -5.994 2.994 38 HD2 TYR 5 HD2 TYR 5 60.964 -3.725 0.994 39 HE1 TYR 5 HE1 TYR 5 63.059 -8.090 2.070 40 HE2 TYR 5 HE2 TYR 5 60.011 -5.820 0.068 41 HH TYR 5 HH TYR 5 61.145 -8.284 -0.443 42 H TYR 6 HN TYR 6 61.302 -3.225 6.006 43 HA TYR 6 HA TYR 6 60.440 -0.500 5.282 44 1HB TYR 6 HB2 TYR 6 59.032 -2.582 5.974 45 2HB TYR 6 HB1 TYR 6 59.499 -2.137 7.614 46 HD1 TYR 6 HD1 TYR 6 59.610 0.914 6.177 47 HD2 TYR 6 HD2 TYR 6 56.694 -2.110 7.084 48 HE1 TYR 6 HE1 TYR 6 57.834 2.643 6.232 49 HE2 TYR 6 HE2 TYR 6 54.920 -0.380 7.135 50 HH TYR 6 HH TYR 6 54.484 1.807 7.094 51 H GLU 7 HN GLU 7 62.387 -2.171 7.621 52 HA GLU 7 HA GLU 7 62.686 0.202 9.365 53 1HB GLU 7 HB2 GLU 7 63.178 -2.676 9.402 54 2HB GLU 7 HB1 GLU 7 64.576 -1.776 9.992 55 1HG GLU 7 HG2 GLU 7 62.203 -0.594 11.087 56 2HG GLU 7 HG1 GLU 7 62.151 -2.333 11.379 57 H ILE 8 HN ILE 8 64.132 -1.312 6.618 58 HA ILE 8 HA ILE 8 66.841 -0.558 6.786 59 HB ILE 8 HB ILE 8 64.852 -1.390 4.801 60 1HG1 ILE 8 HG12 ILE 8 67.140 -2.429 3.938 61 2HG1 ILE 8 HG11 ILE 8 67.704 -1.924 5.531 62 1HG2 ILE 8 HG23 ILE 8 65.563 0.765 3.752 63 2HG2 ILE 8 HG22 ILE 8 67.233 0.201 3.801 64 3HG2 ILE 8 HG21 ILE 8 66.044 -0.646 2.811 65 1HD1 ILE 8 HD11 ILE 8 65.213 -3.110 6.009 66 2HD1 ILE 8 HD13 ILE 8 65.984 -4.157 4.817 67 3HD1 ILE 8 HD12 ILE 8 66.792 -3.817 6.348 68 H LEU 9 HN LEU 9 64.101 1.318 5.365 69 HA LEU 9 HA LEU 9 65.721 3.617 4.722 70 1HB LEU 9 HB2 LEU 9 62.761 3.387 5.341 71 2HB LEU 9 HB1 LEU 9 63.532 4.677 4.417 72 HG LEU 9 HG LEU 9 64.306 2.126 3.328 73 1HD1 LEU 9 HD13 LEU 9 61.352 2.618 3.713 74 2HD1 LEU 9 HD12 LEU 9 61.994 1.525 2.487 75 3HD1 LEU 9 HD11 LEU 9 62.274 1.197 4.198 76 1HD2 LEU 9 HD22 LEU 9 64.177 4.501 2.318 77 2HD2 LEU 9 HD21 LEU 9 63.658 3.163 1.294 78 3HD2 LEU 9 HD23 LEU 9 62.458 4.175 2.099 79 H GLY 10 HN GLY 10 64.923 2.382 7.747 80 1HA GLY 10 HA2 GLY 10 65.469 3.354 9.851 81 2HA GLY 10 HA1 GLY 10 65.663 4.915 9.049 82 H VAL 11 HN VAL 11 62.840 3.172 8.229 83 HA VAL 11 HA VAL 11 61.133 5.225 9.462 84 HB VAL 11 HB VAL 11 60.351 2.703 7.984 85 1HG1 VAL 11 HG11 VAL 11 59.084 5.368 8.556 86 2HG1 VAL 11 HG13 VAL 11 58.584 4.434 7.146 87 3HG1 VAL 11 HG12 VAL 11 58.413 3.751 8.763 88 1HG2 VAL 11 HG23 VAL 11 62.178 4.290 6.885 89 2HG2 VAL 11 HG22 VAL 11 60.847 3.649 5.928 90 3HG2 VAL 11 HG21 VAL 11 60.772 5.297 6.550 91 H SER 12 HN SER 12 59.051 4.316 10.535 92 HA SER 12 HA SER 12 59.858 2.460 12.681 93 1HB SER 12 HB2 SER 12 57.409 3.174 13.367 94 2HB SER 12 HB1 SER 12 58.733 4.322 13.537 95 HG SER 12 HG SER 12 57.954 5.458 11.928 96 H LYS 13 HN LYS 13 59.091 1.901 9.701 97 HA LYS 13 HA LYS 13 57.739 0.440 8.488 98 1HB LYS 13 HB2 LYS 13 58.367 -1.705 9.002 99 2HB LYS 13 HB1 LYS 13 59.496 -0.828 10.032 100 1HG LYS 13 HG2 LYS 13 57.706 -0.994 11.871 101 2HG LYS 13 HG1 LYS 13 56.896 -2.161 10.829 102 1HD LYS 13 HD2 LYS 13 58.526 -3.759 11.120 103 2HD LYS 13 HD1 LYS 13 59.809 -2.564 11.317 104 1HE LYS 13 HE2 LYS 13 57.978 -2.217 13.485 105 2HE LYS 13 HE1 LYS 13 58.377 -3.943 13.375 106 1HZ LYS 13 HZ1 LYS 13 60.506 -1.948 13.019 107 2HZ LYS 13 HZ3 LYS 13 59.993 -2.319 14.592 108 3HZ LYS 13 HZ2 LYS 13 60.613 -3.544 13.590 109 H THR 14 HN THR 14 56.421 2.155 10.520 110 HA THR 14 HA THR 14 53.778 0.824 10.438 111 HB THR 14 HB THR 14 53.473 1.562 12.846 112 HG1 THR 14 HG1 THR 14 55.583 1.867 13.911 113 1HG2 THR 14 HG23 THR 14 54.052 -0.776 12.257 114 2HG2 THR 14 HG22 THR 14 55.763 -0.361 12.349 115 3HG2 THR 14 HG21 THR 14 54.760 -0.296 13.798 116 H ALA 15 HN ALA 15 55.602 3.280 9.472 117 HA ALA 15 HA ALA 15 53.945 5.589 10.215 118 1HB ALA 15 HB1 ALA 15 56.601 5.127 9.596 119 2HB ALA 15 HB3 ALA 15 55.984 5.800 8.088 120 3HB ALA 15 HB2 ALA 15 55.837 6.716 9.587 121 H GLU 16 HN GLU 16 54.434 6.812 7.611 122 HA GLU 16 HA GLU 16 52.866 5.209 5.690 123 1HB GLU 16 HB2 GLU 16 51.972 7.815 6.968 124 2HB GLU 16 HB1 GLU 16 51.221 7.138 5.518 125 1HG GLU 16 HG2 GLU 16 51.412 5.779 8.224 126 2HG GLU 16 HG1 GLU 16 49.953 6.462 7.503 127 H GLU 17 HN GLU 17 52.434 8.267 4.736 128 HA GLU 17 HA GLU 17 54.826 8.247 3.009 129 1HB GLU 17 HB2 GLU 17 52.681 8.599 1.978 130 2HB GLU 17 HB1 GLU 17 52.260 9.852 3.148 131 1HG GLU 17 HG2 GLU 17 54.092 11.267 2.292 132 2HG GLU 17 HG1 GLU 17 54.505 10.018 1.115 133 H ARG 18 HN ARG 18 53.934 9.601 5.995 134 HA ARG 18 HA ARG 18 55.236 12.186 5.654 135 1HB ARG 18 HB2 ARG 18 54.171 12.618 7.616 136 2HB ARG 18 HB1 ARG 18 53.373 11.075 7.345 137 1HG ARG 18 HG2 ARG 18 56.003 11.265 8.830 138 2HG ARG 18 HG1 ARG 18 54.454 11.441 9.648 139 1HD ARG 18 HD2 ARG 18 54.369 9.127 7.912 140 2HD ARG 18 HD1 ARG 18 55.748 9.016 9.021 141 HE ARG 18 HE ARG 18 54.131 8.601 10.683 142 1HH1 ARG 18 HH21 ARG 18 52.253 9.463 8.129 143 2HH1 ARG 18 HH22 ARG 18 51.076 10.362 9.028 144 1HH2 ARG 18 HH11 ARG 18 52.924 10.360 11.961 145 2HH2 ARG 18 HH12 ARG 18 51.454 10.868 11.198 146 H GLU 19 HN GLU 19 56.276 9.009 6.886 147 HA GLU 19 HA GLU 19 58.882 10.222 7.669 148 1HB GLU 19 HB2 GLU 19 57.284 8.084 8.620 149 2HB GLU 19 HB1 GLU 19 58.755 7.364 7.962 150 1HG GLU 19 HG2 GLU 19 60.130 8.445 9.452 151 2HG GLU 19 HG1 GLU 19 59.046 9.828 9.609 152 H ILE 20 HN ILE 20 57.498 7.783 5.510 153 HA ILE 20 HA ILE 20 59.905 6.912 4.343 154 HB ILE 20 HB ILE 20 57.059 6.766 3.931 155 1HG1 ILE 20 HG12 ILE 20 57.595 4.589 3.154 156 2HG1 ILE 20 HG11 ILE 20 59.213 5.078 2.663 157 1HG2 ILE 20 HG21 ILE 20 58.717 7.197 1.430 158 2HG2 ILE 20 HG23 ILE 20 57.146 6.394 1.425 159 3HG2 ILE 20 HG22 ILE 20 57.272 8.081 1.922 160 1HD1 ILE 20 HD11 ILE 20 58.600 5.538 5.515 161 2HD1 ILE 20 HD13 ILE 20 58.648 3.841 5.035 162 3HD1 ILE 20 HD12 ILE 20 60.052 4.873 4.765 163 H ARG 21 HN ARG 21 58.313 9.985 4.168 164 HA ARG 21 HA ARG 21 59.646 10.745 1.663 165 1HB ARG 21 HB2 ARG 21 58.252 12.654 1.774 166 2HB ARG 21 HB1 ARG 21 57.282 11.402 2.546 167 1HG ARG 21 HG2 ARG 21 58.267 12.174 4.763 168 2HG ARG 21 HG1 ARG 21 58.914 13.564 3.893 169 1HD ARG 21 HD2 ARG 21 55.985 12.870 3.666 170 2HD ARG 21 HD1 ARG 21 56.585 13.835 5.029 171 HE ARG 21 HE ARG 21 57.675 15.298 3.191 172 1HH1 ARG 21 HH11 ARG 21 54.455 14.592 3.551 173 2HH1 ARG 21 HH12 ARG 21 53.967 15.091 1.967 174 1HH2 ARG 21 HH21 ARG 21 57.207 15.450 0.789 175 2HH2 ARG 21 HH22 ARG 21 55.523 15.576 0.403 176 H LYS 22 HN LYS 22 60.234 10.972 5.047 177 HA LYS 22 HA LYS 22 62.438 12.902 4.579 178 1HB LYS 22 HB2 LYS 22 62.330 13.072 7.101 179 2HB LYS 22 HB1 LYS 22 60.857 13.595 6.281 180 1HG LYS 22 HG2 LYS 22 59.658 11.779 6.962 181 2HG LYS 22 HG1 LYS 22 61.068 10.721 6.963 182 1HD LYS 22 HD2 LYS 22 60.418 12.843 9.031 183 2HD LYS 22 HD1 LYS 22 60.357 11.096 9.271 184 1HE LYS 22 HE2 LYS 22 62.868 11.155 8.513 185 2HE LYS 22 HE1 LYS 22 62.769 12.870 8.958 186 1HZ LYS 22 HZ3 LYS 22 61.494 11.084 10.832 187 2HZ LYS 22 HZ2 LYS 22 63.173 10.859 10.712 188 3HZ LYS 22 HZ1 LYS 22 62.545 12.383 11.120 189 H ALA 23 HN ALA 23 61.509 9.683 5.441 190 HA ALA 23 HA ALA 23 64.161 8.902 6.474 191 1HB ALA 23 HB3 ALA 23 61.847 7.958 7.092 192 2HB ALA 23 HB2 ALA 23 61.882 7.141 5.528 193 3HB ALA 23 HB1 ALA 23 63.102 6.768 6.746 194 H TYR 24 HN TYR 24 62.240 8.465 3.501 195 HA TYR 24 HA TYR 24 64.042 6.819 2.054 196 1HB TYR 24 HB2 TYR 24 61.812 7.223 1.260 197 2HB TYR 24 HB1 TYR 24 62.054 8.969 1.291 198 HD1 TYR 24 HD2 TYR 24 64.829 6.935 0.115 199 HD2 TYR 24 HD1 TYR 24 61.277 9.021 -1.098 200 HE1 TYR 24 HE2 TYR 24 65.611 6.901 -2.238 201 HE2 TYR 24 HE1 TYR 24 62.060 8.986 -3.449 202 HH TYR 24 HH TYR 24 65.179 8.352 -4.336 203 H LYS 25 HN LYS 25 63.815 10.379 2.276 204 HA LYS 25 HA LYS 25 66.202 10.748 0.609 205 1HB LYS 25 HB2 LYS 25 64.016 12.310 1.770 206 2HB LYS 25 HB1 LYS 25 65.563 13.153 1.844 207 1HG LYS 25 HG2 LYS 25 65.230 11.835 -0.720 208 2HG LYS 25 HG1 LYS 25 63.885 12.928 -0.398 209 1HD LYS 25 HD2 LYS 25 65.197 14.684 -0.894 210 2HD LYS 25 HD1 LYS 25 66.282 14.240 0.425 211 1HE LYS 25 HE2 LYS 25 67.830 13.879 -1.213 212 2HE LYS 25 HE1 LYS 25 66.919 12.397 -1.563 213 1HZ LYS 25 HZ1 LYS 25 65.896 14.933 -2.614 214 2HZ LYS 25 HZ3 LYS 25 67.240 14.245 -3.389 215 3HZ LYS 25 HZ2 LYS 25 65.789 13.369 -3.270 216 H ARG 26 HN ARG 26 65.404 10.820 4.094 217 HA ARG 26 HA ARG 26 68.019 11.934 4.816 218 1HB ARG 26 HB2 ARG 26 65.982 12.224 6.173 219 2HB ARG 26 HB1 ARG 26 65.912 10.480 6.439 220 1HG ARG 26 HG2 ARG 26 66.992 11.263 8.374 221 2HG ARG 26 HG1 ARG 26 68.332 10.747 7.349 222 1HD ARG 26 HD2 ARG 26 68.805 12.977 8.301 223 2HD ARG 26 HD1 ARG 26 68.575 13.111 6.545 224 HE ARG 26 HE ARG 26 66.168 13.449 8.244 225 1HH1 ARG 26 HH21 ARG 26 67.255 14.287 5.305 226 2HH1 ARG 26 HH22 ARG 26 67.058 16.001 5.467 227 1HH2 ARG 26 HH11 ARG 26 66.512 15.887 8.887 228 2HH2 ARG 26 HH12 ARG 26 66.641 16.905 7.492 229 H LEU 27 HN LEU 27 66.714 8.648 4.486 230 HA LEU 27 HA LEU 27 69.209 7.541 5.670 231 1HB LEU 27 HB2 LEU 27 66.454 6.793 5.463 232 2HB LEU 27 HB1 LEU 27 67.434 5.539 4.701 233 HG LEU 27 HG LEU 27 67.222 5.037 7.077 234 1HD1 LEU 27 HD12 LEU 27 69.573 5.126 5.699 235 2HD1 LEU 27 HD11 LEU 27 69.971 6.139 7.086 236 3HD1 LEU 27 HD13 LEU 27 69.423 4.482 7.333 237 1HD2 LEU 27 HD23 LEU 27 68.390 7.810 7.486 238 2HD2 LEU 27 HD22 LEU 27 66.731 7.330 7.848 239 3HD2 LEU 27 HD21 LEU 27 68.069 6.639 8.766 240 H ALA 28 HN ALA 28 67.617 7.918 2.542 241 HA ALA 28 HA ALA 28 69.285 5.984 1.154 242 1HB ALA 28 HB1 ALA 28 67.055 6.819 0.409 243 2HB ALA 28 HB3 ALA 28 67.779 8.403 0.133 244 3HB ALA 28 HB2 ALA 28 68.305 7.015 -0.821 245 H MET 29 HN MET 29 69.570 9.323 2.126 246 HA MET 29 HA MET 29 71.498 10.377 0.392 247 1HB MET 29 HB2 MET 29 70.453 11.444 2.374 248 2HB MET 29 HB1 MET 29 71.425 10.405 3.414 249 1HG MET 29 HG2 MET 29 72.881 12.167 3.376 250 2HG MET 29 HG1 MET 29 73.370 11.448 1.842 251 1HE MET 29 HE3 MET 29 74.274 13.137 0.724 252 2HE MET 29 HE2 MET 29 73.589 14.678 0.214 253 3HE MET 29 HE1 MET 29 74.139 14.473 1.875 254 H LYS 30 HN LYS 30 71.920 8.332 3.224 255 HA LYS 30 HA LYS 30 74.685 7.922 3.311 256 1HB LYS 30 HB2 LYS 30 72.175 6.670 4.126 257 2HB LYS 30 HB1 LYS 30 73.440 5.473 3.827 258 1HG LYS 30 HG2 LYS 30 74.521 6.032 5.718 259 2HG LYS 30 HG1 LYS 30 74.527 7.735 5.264 260 1HD LYS 30 HD2 LYS 30 71.859 6.940 6.029 261 2HD LYS 30 HD1 LYS 30 73.000 6.523 7.308 262 1HE LYS 30 HE2 LYS 30 73.688 9.126 6.306 263 2HE LYS 30 HE1 LYS 30 71.959 9.104 6.706 264 1HZ LYS 30 HZ2 LYS 30 72.525 8.023 8.817 265 2HZ LYS 30 HZ1 LYS 30 74.178 8.165 8.448 266 3HZ LYS 30 HZ3 LYS 30 73.241 9.558 8.688 267 H TYR 31 HN TYR 31 72.338 6.895 0.996 268 HA TYR 31 HA TYR 31 74.326 5.033 -0.269 269 1HB TYR 31 HB2 TYR 31 71.331 5.167 -0.697 270 2HB TYR 31 HB1 TYR 31 72.420 3.830 -1.085 271 HD1 TYR 31 HD1 TYR 31 74.093 4.103 1.512 272 HD2 TYR 31 HD2 TYR 31 69.869 3.887 0.763 273 HE1 TYR 31 HE1 TYR 31 73.741 3.150 3.773 274 HE2 TYR 31 HE2 TYR 31 69.517 2.933 3.026 275 HH TYR 31 HH TYR 31 71.440 1.491 4.730 276 H HIS 32 HN HIS 32 72.023 7.665 -0.910 277 HA HIS 32 HA HIS 32 71.758 8.078 -3.529 278 1HB HIS 32 HB2 HIS 32 72.207 9.713 -1.230 279 2HB HIS 32 HB1 HIS 32 73.056 10.450 -2.594 280 HD1 HIS 32 HD1 HIS 32 71.446 10.464 -4.907 281 HD2 HIS 32 HD2 HIS 32 69.544 10.415 -1.197 282 HE1 HIS 32 HE1 HIS 32 69.071 11.248 -5.309 283 HA PRO 33 HA PRO 33 76.081 7.133 -4.773 284 1HB PRO 33 HB2 PRO 33 75.313 6.237 -7.252 285 2HB PRO 33 HB1 PRO 33 75.313 5.211 -5.801 286 1HG PRO 33 HG2 PRO 33 73.047 6.710 -7.049 287 2HG PRO 33 HG1 PRO 33 73.101 5.032 -6.473 288 1HD PRO 33 HD2 PRO 33 72.013 6.932 -4.972 289 2HD PRO 33 HD1 PRO 33 73.013 5.660 -4.234 290 H ASP 34 HN ASP 34 73.511 9.030 -6.289 291 HA ASP 34 HA ASP 34 74.691 10.267 -8.460 292 1HB ASP 34 HB2 ASP 34 72.473 10.804 -7.522 293 2HB ASP 34 HB1 ASP 34 73.238 11.566 -6.127 294 H ARG 35 HN ARG 35 75.341 10.886 -5.041 295 HA ARG 35 HA ARG 35 77.690 12.581 -5.723 296 1HB ARG 35 HB2 ARG 35 77.306 13.485 -3.558 297 2HB ARG 35 HB1 ARG 35 75.688 13.236 -4.193 298 1HG ARG 35 HG2 ARG 35 75.513 11.109 -2.978 299 2HG ARG 35 HG1 ARG 35 77.168 11.280 -2.393 300 1HD ARG 35 HD2 ARG 35 74.868 13.176 -1.767 301 2HD ARG 35 HD1 ARG 35 75.605 12.017 -0.642 302 HE ARG 35 HE ARG 35 76.812 14.536 -1.535 303 1HH1 ARG 35 HH11 ARG 35 79.227 13.750 -1.962 304 2HH1 ARG 35 HH12 ARG 35 79.916 13.056 -0.531 305 1HH2 ARG 35 HH21 ARG 35 76.857 12.609 1.043 306 2HH2 ARG 35 HH22 ARG 35 78.573 12.412 1.172 307 H ASN 36 HN ASN 36 76.546 9.666 -4.170 308 HA ASN 36 HA ASN 36 79.158 8.994 -2.979 309 1HB ASN 36 HB2 ASN 36 76.334 7.941 -2.977 310 2HB ASN 36 HB1 ASN 36 77.651 6.945 -2.365 311 1HD2 ASN 36 HD22 ASN 36 78.195 8.884 0.550 312 2HD2 ASN 36 HD21 ASN 36 78.831 7.680 -0.465 313 H GLN 37 HN GLN 37 80.287 8.721 -5.161 314 HA GLN 37 HA GLN 37 79.520 6.111 -6.416 315 1HB GLN 37 HB2 GLN 37 80.855 8.602 -7.467 316 2HB GLN 37 HB1 GLN 37 80.967 7.066 -8.326 317 1HG GLN 37 HG2 GLN 37 78.691 7.000 -8.796 318 2HG GLN 37 HG1 GLN 37 78.277 8.046 -7.439 319 1HE2 GLN 37 HE22 GLN 37 78.578 11.024 -9.318 320 2HE2 GLN 37 HE21 GLN 37 78.210 10.318 -7.818 321 H GLY 38 HN GLY 38 81.596 7.335 -4.186 322 1HA GLY 38 HA2 GLY 38 84.151 6.330 -5.028 323 2HA GLY 38 HA1 GLY 38 83.666 6.582 -3.345 324 H ASP 39 HN ASP 39 81.225 4.858 -4.066 325 HA ASP 39 HA ASP 39 82.547 2.176 -3.963 326 1HB ASP 39 HB2 ASP 39 81.448 3.453 -1.836 327 2HB ASP 39 HB1 ASP 39 80.003 2.681 -2.488 328 H LYS 40 HN LYS 40 79.577 4.032 -4.599 329 HA LYS 40 HA LYS 40 77.918 3.780 -6.244 330 1HB LYS 40 HB2 LYS 40 79.844 1.797 -7.320 331 2HB LYS 40 HB1 LYS 40 78.669 2.706 -8.250 332 1HG LYS 40 HG2 LYS 40 79.828 4.778 -7.665 333 2HG LYS 40 HG1 LYS 40 80.970 3.874 -6.671 334 1HD LYS 40 HD2 LYS 40 81.006 2.612 -9.190 335 2HD LYS 40 HD1 LYS 40 81.030 4.343 -9.530 336 1HE LYS 40 HE2 LYS 40 83.068 4.667 -8.449 337 2HE LYS 40 HE1 LYS 40 82.830 3.275 -7.373 338 1HZ LYS 40 HZ3 LYS 40 82.845 1.911 -9.508 339 2HZ LYS 40 HZ2 LYS 40 83.534 3.278 -10.247 340 3HZ LYS 40 HZ1 LYS 40 84.337 2.507 -8.964 341 H GLU 41 HN GLU 41 78.775 1.409 -4.121 342 HA GLU 41 HA GLU 41 77.167 -0.824 -5.052 343 1HB GLU 41 HB2 GLU 41 79.108 -0.438 -3.190 344 2HB GLU 41 HB1 GLU 41 77.682 -0.391 -2.153 345 1HG GLU 41 HG2 GLU 41 77.959 -2.580 -4.192 346 2HG GLU 41 HG1 GLU 41 78.826 -2.697 -2.662 347 H ALA 42 HN ALA 42 76.362 2.232 -3.866 348 HA ALA 42 HA ALA 42 73.948 1.493 -2.381 349 1HB ALA 42 HB2 ALA 42 75.314 3.970 -3.392 350 2HB ALA 42 HB1 ALA 42 73.617 4.085 -2.927 351 3HB ALA 42 HB3 ALA 42 74.820 3.567 -1.748 352 H GLU 43 HN GLU 43 74.916 1.899 -5.650 353 HA GLU 43 HA GLU 43 72.752 2.774 -7.101 354 1HB GLU 43 HB2 GLU 43 74.718 2.078 -8.204 355 2HB GLU 43 HB1 GLU 43 74.707 0.501 -7.416 356 1HG GLU 43 HG2 GLU 43 73.027 -0.335 -8.809 357 2HG GLU 43 HG1 GLU 43 72.427 1.274 -9.217 358 H ALA 44 HN ALA 44 73.091 -0.486 -5.628 359 HA ALA 44 HA ALA 44 70.428 -1.317 -6.536 360 1HB ALA 44 HB3 ALA 44 72.564 -2.731 -6.069 361 2HB ALA 44 HB2 ALA 44 72.135 -2.563 -4.366 362 3HB ALA 44 HB1 ALA 44 71.027 -3.367 -5.480 363 H LYS 45 HN LYS 45 71.960 -0.401 -3.420 364 HA LYS 45 HA LYS 45 69.866 -0.669 -1.644 365 1HB LYS 45 HB2 LYS 45 72.256 0.860 -1.899 366 2HB LYS 45 HB1 LYS 45 70.997 1.948 -1.301 367 1HG LYS 45 HG2 LYS 45 71.319 1.042 0.732 368 2HG LYS 45 HG1 LYS 45 70.606 -0.444 0.098 369 1HD LYS 45 HD2 LYS 45 73.343 -0.187 -0.785 370 2HD LYS 45 HD1 LYS 45 73.255 -0.084 0.974 371 1HE LYS 45 HE2 LYS 45 72.333 -2.231 1.186 372 2HE LYS 45 HE1 LYS 45 71.709 -2.227 -0.476 373 1HZ LYS 45 HZ1 LYS 45 74.131 -2.013 -1.159 374 2HZ LYS 45 HZ3 LYS 45 74.518 -2.480 0.426 375 3HZ LYS 45 HZ2 LYS 45 73.636 -3.531 -0.577 376 H PHE 46 HN PHE 46 70.211 1.869 -4.134 377 HA PHE 46 HA PHE 46 68.037 3.529 -3.444 378 1HB PHE 46 HB2 PHE 46 69.681 2.886 -5.744 379 2HB PHE 46 HB1 PHE 46 68.015 3.155 -6.253 380 HD1 PHE 46 HD2 PHE 46 69.700 4.711 -3.321 381 HD2 PHE 46 HD1 PHE 46 68.217 5.284 -7.312 382 HE1 PHE 46 HE2 PHE 46 70.026 7.159 -3.091 383 HE2 PHE 46 HE1 PHE 46 68.543 7.730 -7.082 384 HZ PHE 46 HZ PHE 46 69.447 8.669 -4.972 385 H LYS 47 HN LYS 47 68.085 0.339 -4.950 386 HA LYS 47 HA LYS 47 65.258 0.262 -5.471 387 1HB LYS 47 HB2 LYS 47 65.820 -1.827 -6.383 388 2HB LYS 47 HB1 LYS 47 67.415 -1.092 -6.397 389 1HG LYS 47 HG2 LYS 47 68.146 -2.343 -4.559 390 2HG LYS 47 HG1 LYS 47 66.511 -2.658 -3.993 391 1HD LYS 47 HD2 LYS 47 66.730 -4.652 -5.024 392 2HD LYS 47 HD1 LYS 47 66.471 -3.742 -6.513 393 1HE LYS 47 HE2 LYS 47 68.520 -4.506 -7.147 394 2HE LYS 47 HE1 LYS 47 69.179 -3.349 -5.974 395 1HZ LYS 47 HZ2 LYS 47 68.217 -6.047 -5.206 396 2HZ LYS 47 HZ1 LYS 47 69.837 -5.739 -5.613 397 3HZ LYS 47 HZ3 LYS 47 69.138 -4.966 -4.274 398 H GLU 48 HN GLU 48 67.554 -0.997 -3.039 399 HA GLU 48 HA GLU 48 65.668 -2.070 -1.239 400 1HB GLU 48 HB2 GLU 48 68.217 -0.507 -0.664 401 2HB GLU 48 HB1 GLU 48 67.435 -1.628 0.453 402 1HG GLU 48 HG2 GLU 48 67.674 -3.343 -1.515 403 2HG GLU 48 HG1 GLU 48 68.910 -2.226 -2.098 404 H ILE 49 HN ILE 49 66.298 1.176 -2.252 405 HA ILE 49 HA ILE 49 64.791 2.303 0.021 406 HB ILE 49 HB ILE 49 66.014 3.561 -2.461 407 1HG1 ILE 49 HG12 ILE 49 67.954 2.998 -1.387 408 2HG1 ILE 49 HG11 ILE 49 67.559 4.401 -0.398 409 1HG2 ILE 49 HG21 ILE 49 64.794 4.641 0.068 410 2HG2 ILE 49 HG23 ILE 49 65.867 5.605 -0.945 411 3HG2 ILE 49 HG22 ILE 49 64.345 4.998 -1.600 412 1HD1 ILE 49 HD12 ILE 49 66.236 2.777 1.077 413 2HD1 ILE 49 HD11 ILE 49 67.076 1.490 0.212 414 3HD1 ILE 49 HD13 ILE 49 67.994 2.665 1.151 415 H LYS 50 HN LYS 50 64.539 3.220 -3.399 416 HA LYS 50 HA LYS 50 61.700 3.559 -3.183 417 1HB LYS 50 HB2 LYS 50 63.730 4.395 -4.830 418 2HB LYS 50 HB1 LYS 50 62.891 3.243 -5.871 419 1HG LYS 50 HG2 LYS 50 60.808 4.638 -4.697 420 2HG LYS 50 HG1 LYS 50 62.028 5.889 -4.944 421 1HD LYS 50 HD2 LYS 50 62.050 5.600 -7.261 422 2HD LYS 50 HD1 LYS 50 61.426 3.953 -7.162 423 1HE LYS 50 HE2 LYS 50 59.769 5.753 -7.978 424 2HE LYS 50 HE1 LYS 50 59.208 4.732 -6.638 425 1HZ LYS 50 HZ2 LYS 50 60.672 7.272 -6.205 426 2HZ LYS 50 HZ1 LYS 50 58.977 7.209 -6.299 427 3HZ LYS 50 HZ3 LYS 50 59.789 6.367 -5.070 428 H GLU 51 HN GLU 51 63.607 0.684 -3.826 429 HA GLU 51 HA GLU 51 61.389 -0.597 -5.315 430 1HB GLU 51 HB2 GLU 51 63.947 -0.902 -5.656 431 2HB GLU 51 HB1 GLU 51 63.893 -1.877 -4.192 432 1HG GLU 51 HG2 GLU 51 63.684 -3.188 -6.285 433 2HG GLU 51 HG1 GLU 51 62.343 -3.394 -5.160 434 H ALA 52 HN ALA 52 62.919 -0.503 -2.174 435 HA ALA 52 HA ALA 52 61.143 -2.554 -1.011 436 1HB ALA 52 HB2 ALA 52 63.718 -1.561 -0.617 437 2HB ALA 52 HB1 ALA 52 62.813 -0.937 0.765 438 3HB ALA 52 HB3 ALA 52 62.871 -2.672 0.450 439 H TYR 53 HN TYR 53 61.921 0.888 -0.387 440 HA TYR 53 HA TYR 53 59.691 1.293 1.386 441 1HB TYR 53 HB2 TYR 53 60.970 3.077 1.835 442 2HB TYR 53 HB1 TYR 53 62.057 2.574 0.562 443 HD1 TYR 53 HD2 TYR 53 58.732 4.337 0.852 444 HD2 TYR 53 HD1 TYR 53 62.614 4.190 -0.951 445 HE1 TYR 53 HE2 TYR 53 58.250 6.424 -0.384 446 HE2 TYR 53 HE1 TYR 53 62.149 6.269 -2.179 447 HH TYR 53 HH TYR 53 58.957 7.846 -1.957 448 H GLU 54 HN GLU 54 59.756 0.904 -1.964 449 HA GLU 54 HA GLU 54 57.810 2.824 -2.837 450 1HB GLU 54 HB2 GLU 54 58.704 1.784 -4.660 451 2HB GLU 54 HB1 GLU 54 59.079 0.322 -3.753 452 1HG GLU 54 HG2 GLU 54 57.030 -0.654 -4.228 453 2HG GLU 54 HG1 GLU 54 56.209 0.899 -4.387 454 H VAL 55 HN VAL 55 57.528 -0.296 -1.184 455 HA VAL 55 HA VAL 55 54.575 -0.134 -1.405 456 HB VAL 55 HB VAL 55 54.708 -2.366 -1.514 457 1HG1 VAL 55 HG11 VAL 55 56.881 -2.035 -2.562 458 2HG1 VAL 55 HG13 VAL 55 57.656 -2.117 -0.979 459 3HG1 VAL 55 HG12 VAL 55 56.837 -3.530 -1.632 460 1HG2 VAL 55 HG21 VAL 55 56.095 -2.173 1.163 461 2HG2 VAL 55 HG23 VAL 55 54.415 -2.613 0.847 462 3HG2 VAL 55 HG22 VAL 55 55.716 -3.717 0.402 463 H LEU 56 HN LEU 56 56.567 1.413 0.431 464 HA LEU 56 HA LEU 56 55.457 0.729 3.081 465 1HB LEU 56 HB2 LEU 56 57.592 2.422 1.879 466 2HB LEU 56 HB1 LEU 56 56.982 2.898 3.468 467 HG LEU 56 HG LEU 56 57.433 0.624 4.319 468 1HD1 LEU 56 HD13 LEU 56 57.980 0.176 1.440 469 2HD1 LEU 56 HD12 LEU 56 59.093 -0.606 2.563 470 3HD1 LEU 56 HD11 LEU 56 57.364 -0.942 2.658 471 1HD2 LEU 56 HD23 LEU 56 59.661 2.181 3.011 472 2HD2 LEU 56 HD22 LEU 56 59.229 2.107 4.716 473 3HD2 LEU 56 HD21 LEU 56 60.003 0.724 3.944 474 H THR 57 HN THR 57 54.507 2.497 0.417 475 HA THR 57 HA THR 57 53.099 4.609 1.996 476 HB THR 57 HB THR 57 53.636 5.905 0.204 477 HG1 THR 57 HG1 THR 57 51.966 5.690 -1.027 478 1HG2 THR 57 HG23 THR 57 55.545 4.253 -0.083 479 2HG2 THR 57 HG22 THR 57 54.566 3.453 -1.312 480 3HG2 THR 57 HG21 THR 57 55.084 5.123 -1.547 481 H ASP 58 HN ASP 58 52.708 1.655 0.289 482 HA ASP 58 HA ASP 58 49.803 1.965 -0.133 483 1HB ASP 58 HB2 ASP 58 51.632 0.819 -1.608 484 2HB ASP 58 HB1 ASP 58 51.476 -0.533 -0.482 485 H SER 59 HN SER 59 49.331 -0.914 0.494 486 HA SER 59 HA SER 59 49.747 -1.018 3.440 487 1HB SER 59 HB2 SER 59 47.112 -0.915 1.956 488 2HB SER 59 HB1 SER 59 47.239 -1.497 3.613 489 HG SER 59 HG SER 59 46.833 0.662 3.749 490 H GLN 60 HN GLN 60 48.246 -2.606 0.620 491 HA GLN 60 HA GLN 60 48.394 -5.281 1.783 492 1HB GLN 60 HB2 GLN 60 47.571 -5.894 -0.444 493 2HB GLN 60 HB1 GLN 60 46.723 -4.447 0.120 494 1HG GLN 60 HG2 GLN 60 48.691 -3.173 -1.059 495 2HG GLN 60 HG1 GLN 60 48.887 -4.680 -1.953 496 1HE2 GLN 60 HE22 GLN 60 45.610 -2.322 -2.608 497 2HE2 GLN 60 HE21 GLN 60 46.638 -2.014 -1.294 498 H LYS 61 HN LYS 61 50.381 -3.378 -0.477 499 HA LYS 61 HA LYS 61 51.994 -5.361 -1.589 500 1HB LYS 61 HB2 LYS 61 53.009 -2.694 -0.587 501 2HB LYS 61 HB1 LYS 61 53.529 -3.593 -2.009 502 1HG LYS 61 HG2 LYS 61 51.194 -3.264 -2.946 503 2HG LYS 61 HG1 LYS 61 50.906 -2.138 -1.620 504 1HD LYS 61 HD2 LYS 61 51.823 -0.542 -2.929 505 2HD LYS 61 HD1 LYS 61 53.372 -1.335 -2.636 506 1HE LYS 61 HE2 LYS 61 52.353 -2.924 -4.623 507 2HE LYS 61 HE1 LYS 61 51.705 -1.336 -5.078 508 1HZ LYS 61 HZ1 LYS 61 54.022 -0.479 -4.550 509 2HZ LYS 61 HZ3 LYS 61 54.525 -2.098 -4.603 510 3HZ LYS 61 HZ2 LYS 61 53.848 -1.374 -5.984 511 H ARG 62 HN ARG 62 52.280 -3.689 1.531 512 HA ARG 62 HA ARG 62 54.686 -4.728 2.476 513 1HB ARG 62 HB2 ARG 62 52.028 -4.430 3.924 514 2HB ARG 62 HB1 ARG 62 53.619 -4.417 4.690 515 1HG ARG 62 HG2 ARG 62 53.929 -2.240 4.173 516 2HG ARG 62 HG1 ARG 62 53.502 -2.527 2.485 517 1HD ARG 62 HD2 ARG 62 51.392 -1.746 2.783 518 2HD ARG 62 HD1 ARG 62 51.190 -2.640 4.303 519 HE ARG 62 HE ARG 62 52.824 -0.136 4.184 520 1HH1 ARG 62 HH21 ARG 62 52.101 -2.225 6.500 521 2HH1 ARG 62 HH22 ARG 62 51.086 -1.199 7.457 522 1HH2 ARG 62 HH11 ARG 62 50.771 1.228 5.000 523 2HH2 ARG 62 HH12 ARG 62 50.333 0.757 6.609 524 H ALA 63 HN ALA 63 51.661 -6.321 1.864 525 HA ALA 63 HA ALA 63 52.599 -8.862 3.112 526 1HB ALA 63 HB2 ALA 63 50.115 -7.498 2.792 527 2HB ALA 63 HB1 ALA 63 50.021 -8.956 1.802 528 3HB ALA 63 HB3 ALA 63 50.374 -9.080 3.525 529 H ALA 64 HN ALA 64 51.942 -7.221 0.107 530 HA ALA 64 HA ALA 64 52.126 -9.567 -1.632 531 1HB ALA 64 HB2 ALA 64 51.068 -7.069 -1.808 532 2HB ALA 64 HB1 ALA 64 52.613 -6.798 -2.612 533 3HB ALA 64 HB3 ALA 64 51.501 -8.019 -3.230 534 H TYR 65 HN TYR 65 54.141 -6.645 -1.184 535 HA TYR 65 HA TYR 65 56.393 -7.728 -2.638 536 1HB TYR 65 HB2 TYR 65 55.523 -5.304 -1.625 537 2HB TYR 65 HB1 TYR 65 56.895 -5.682 -0.596 538 HD1 TYR 65 HD1 TYR 65 55.993 -5.971 -4.230 539 HD2 TYR 65 HD2 TYR 65 58.982 -4.954 -1.319 540 HE1 TYR 65 HE1 TYR 65 57.559 -5.360 -6.055 541 HE2 TYR 65 HE2 TYR 65 60.549 -4.339 -3.143 542 HH TYR 65 HH TYR 65 60.329 -5.279 -6.147 543 H ASP 66 HN ASP 66 55.204 -7.933 0.612 544 HA ASP 66 HA ASP 66 57.469 -8.418 2.108 545 1HB ASP 66 HB2 ASP 66 55.773 -8.832 3.568 546 2HB ASP 66 HB1 ASP 66 54.652 -8.895 2.213 547 H GLN 67 HN GLN 67 55.707 -10.676 -0.011 548 HA GLN 67 HA GLN 67 57.852 -12.048 -1.139 549 1HB GLN 67 HB2 GLN 67 57.475 -12.615 1.701 550 2HB GLN 67 HB1 GLN 67 57.416 -14.084 0.724 551 1HG GLN 67 HG2 GLN 67 59.528 -12.641 -0.378 552 2HG GLN 67 HG1 GLN 67 59.698 -12.377 1.358 553 1HE2 GLN 67 HE22 GLN 67 61.488 -15.494 1.093 554 2HE2 GLN 67 HE21 GLN 67 61.703 -13.811 1.052 555 H TYR 68 HN TYR 68 55.557 -11.636 -2.319 556 HA TYR 68 HA TYR 68 53.658 -13.872 -1.902 557 1HB TYR 68 HB2 TYR 68 53.627 -11.191 -2.887 558 2HB TYR 68 HB1 TYR 68 53.104 -12.248 -4.203 559 HD1 TYR 68 HD1 TYR 68 52.618 -11.986 -0.480 560 HD2 TYR 68 HD2 TYR 68 50.829 -12.680 -4.323 561 HE1 TYR 68 HE1 TYR 68 50.398 -12.239 0.598 562 HE2 TYR 68 HE2 TYR 68 48.610 -12.934 -3.245 563 HH TYR 68 HH TYR 68 47.807 -11.867 -0.424 564 H GLY 69 HN GLY 69 54.747 -12.532 -5.008 565 1HA GLY 69 HA2 GLY 69 55.792 -13.584 -6.841 566 2HA GLY 69 HA1 GLY 69 56.168 -14.948 -5.787 567 H HIS 70 HN HIS 70 52.863 -13.886 -5.918 568 HA HIS 70 HA HIS 70 52.194 -16.011 -7.908 569 1HB HIS 70 HB2 HIS 70 52.228 -16.732 -5.418 570 2HB HIS 70 HB1 HIS 70 50.751 -15.780 -5.276 571 HD1 HIS 70 HD1 HIS 70 49.300 -16.405 -7.838 572 HD2 HIS 70 HD2 HIS 70 51.324 -19.336 -5.672 573 HE1 HIS 70 HE1 HIS 70 48.282 -18.624 -8.512 574 H ALA 71 HN ALA 71 51.360 -14.470 -9.356 575 HA ALA 71 HA ALA 71 49.829 -12.849 -10.187 576 1HB ALA 71 HB3 ALA 71 48.408 -14.757 -8.351 577 2HB ALA 71 HB2 ALA 71 47.496 -13.460 -9.125 578 3HB ALA 71 HB1 ALA 71 48.340 -14.656 -10.110 579 H ALA 72 HN ALA 72 51.337 -12.169 -7.605 580 HA ALA 72 HA ALA 72 49.890 -10.880 -5.635 581 1HB ALA 72 HB1 ALA 72 52.479 -10.549 -6.997 582 2HB ALA 72 HB3 ALA 72 51.904 -9.084 -6.202 583 3HB ALA 72 HB2 ALA 72 52.114 -10.566 -5.272 584 H PHE 73 HN PHE 73 51.220 -8.810 -8.208 585 HA PHE 73 HA PHE 73 48.627 -7.305 -8.200 586 1HB PHE 73 HB2 PHE 73 51.436 -6.611 -7.928 587 2HB PHE 73 HB1 PHE 73 50.685 -5.711 -9.246 588 HD1 PHE 73 HD2 PHE 73 48.916 -6.988 -6.247 589 HD2 PHE 73 HD1 PHE 73 50.572 -3.545 -8.212 590 HE1 PHE 73 HE2 PHE 73 47.795 -5.511 -4.604 591 HE2 PHE 73 HE1 PHE 73 49.451 -2.066 -6.566 592 HZ PHE 73 HZ PHE 73 48.061 -3.050 -4.762 593 H GLU 74 HN GLU 74 49.823 -9.616 -10.000 594 HA GLU 74 HA GLU 74 49.502 -8.191 -12.618 595 1HB GLU 74 HB2 GLU 74 50.855 -9.992 -13.520 596 2HB GLU 74 HB1 GLU 74 51.652 -9.390 -12.066 597 1HG GLU 74 HG2 GLU 74 50.904 -11.237 -10.763 598 2HG GLU 74 HG1 GLU 74 49.738 -11.727 -11.991 599 H GLN 75 HN GLN 75 47.682 -9.910 -10.489 600 HA GLN 75 HA GLN 75 45.832 -11.387 -10.698 601 1HB GLN 75 HB2 GLN 75 45.634 -9.725 -13.231 602 2HB GLN 75 HB1 GLN 75 44.295 -10.519 -12.400 603 1HG GLN 75 HG2 GLN 75 46.052 -8.343 -11.228 604 2HG GLN 75 HG1 GLN 75 44.400 -8.126 -11.805 605 1HE2 GLN 75 HE22 GLN 75 42.996 -9.213 -8.773 606 2HE2 GLN 75 HE21 GLN 75 42.797 -8.383 -10.240 607 H GLY 76 HN GLY 76 48.173 -12.684 -11.594 608 1HA GLY 76 HA2 GLY 76 48.693 -14.651 -12.780 609 2HA GLY 76 HA1 GLY 76 47.044 -14.648 -13.406 610 H GLY 77 HN GLY 77 50.319 -13.894 -14.108 611 1HA GLY 77 HA2 GLY 77 49.565 -13.234 -16.880 612 2HA GLY 77 HA1 GLY 77 50.452 -11.982 -16.011 No H/Q in entry = 612 Start of MODEL 14 1 1H ALA 1 HT2 ALA 1 68.019 -16.266 5.437 2 2H ALA 1 HT1 ALA 1 68.161 -17.249 6.816 3 3H ALA 1 HT3 ALA 1 66.660 -17.084 6.044 4 HA ALA 1 HA ALA 1 66.404 -15.653 7.831 5 1HB ALA 1 HB3 ALA 1 69.008 -16.111 8.141 6 2HB ALA 1 HB2 ALA 1 69.146 -14.504 7.430 7 3HB ALA 1 HB1 ALA 1 68.242 -14.731 8.928 8 H LYS 2 HN LYS 2 68.756 -14.073 5.646 9 HA LYS 2 HA LYS 2 68.531 -12.129 4.324 10 1HB LYS 2 HB2 LYS 2 66.869 -14.049 3.463 11 2HB LYS 2 HB1 LYS 2 65.663 -12.839 3.901 12 1HG LYS 2 HG2 LYS 2 66.125 -11.656 2.046 13 2HG LYS 2 HG1 LYS 2 67.824 -11.553 2.508 14 1HD LYS 2 HD2 LYS 2 68.135 -12.776 0.603 15 2HD LYS 2 HD1 LYS 2 67.723 -14.127 1.661 16 1HE LYS 2 HE2 LYS 2 65.512 -12.610 0.291 17 2HE LYS 2 HE1 LYS 2 66.411 -13.856 -0.600 18 1HZ LYS 2 HZ1 LYS 2 66.071 -15.277 1.455 19 2HZ LYS 2 HZ3 LYS 2 64.899 -14.147 1.930 20 3HZ LYS 2 HZ2 LYS 2 64.704 -15.016 0.483 21 H GLN 3 HN GLN 3 67.052 -10.107 4.033 22 HA GLN 3 HA GLN 3 65.618 -9.465 6.589 23 1HB GLN 3 HB2 GLN 3 67.747 -7.898 5.099 24 2HB GLN 3 HB1 GLN 3 66.790 -7.232 6.422 25 1HG GLN 3 HG2 GLN 3 68.756 -7.997 7.482 26 2HG GLN 3 HG1 GLN 3 67.591 -9.289 7.773 27 1HE2 GLN 3 HE22 GLN 3 70.271 -10.041 4.739 28 2HE2 GLN 3 HE21 GLN 3 69.534 -8.515 4.829 29 H ASP 4 HN ASP 4 63.670 -8.577 6.219 30 HA ASP 4 HA ASP 4 62.455 -8.281 3.702 31 1HB ASP 4 HB2 ASP 4 61.653 -8.266 6.220 32 2HB ASP 4 HB1 ASP 4 61.771 -6.516 6.030 33 H TYR 5 HN TYR 5 61.421 -5.739 3.426 34 HA TYR 5 HA TYR 5 63.870 -4.056 3.020 35 1HB TYR 5 HB2 TYR 5 61.746 -3.294 1.254 36 2HB TYR 5 HB1 TYR 5 63.320 -3.972 0.846 37 HD1 TYR 5 HD1 TYR 5 63.476 -6.628 1.399 38 HD2 TYR 5 HD2 TYR 5 59.892 -4.447 0.484 39 HE1 TYR 5 HE1 TYR 5 62.391 -8.727 0.654 40 HE2 TYR 5 HE2 TYR 5 58.804 -6.546 -0.260 41 HH TYR 5 HH TYR 5 60.586 -9.638 -0.255 42 H TYR 6 HN TYR 6 61.258 -4.255 4.969 43 HA TYR 6 HA TYR 6 60.341 -1.462 4.809 44 1HB TYR 6 HB2 TYR 6 59.189 -3.762 5.566 45 2HB TYR 6 HB1 TYR 6 59.771 -3.209 7.138 46 HD1 TYR 6 HD2 TYR 6 59.628 -0.181 6.069 47 HD2 TYR 6 HD1 TYR 6 56.836 -3.434 6.383 48 HE1 TYR 6 HE2 TYR 6 57.760 1.440 6.225 49 HE2 TYR 6 HE1 TYR 6 54.969 -1.811 6.540 50 HH TYR 6 HH TYR 6 54.672 0.742 5.680 51 H GLU 7 HN GLU 7 62.557 -3.425 6.677 52 HA GLU 7 HA GLU 7 63.098 -1.274 8.616 53 1HB GLU 7 HB2 GLU 7 63.943 -4.096 8.061 54 2HB GLU 7 HB1 GLU 7 65.003 -3.099 9.056 55 1HG GLU 7 HG2 GLU 7 62.262 -2.743 9.891 56 2HG GLU 7 HG1 GLU 7 62.667 -4.460 9.884 57 H ILE 8 HN ILE 8 64.260 -2.491 5.578 58 HA ILE 8 HA ILE 8 66.931 -1.668 5.458 59 HB ILE 8 HB ILE 8 64.617 -1.964 3.587 60 1HG1 ILE 8 HG12 ILE 8 66.005 -3.680 2.638 61 2HG1 ILE 8 HG11 ILE 8 67.435 -3.065 3.466 62 1HG2 ILE 8 HG21 ILE 8 65.788 0.094 2.796 63 2HG2 ILE 8 HG23 ILE 8 67.284 -0.834 2.697 64 3HG2 ILE 8 HG22 ILE 8 65.919 -1.249 1.660 65 1HD1 ILE 8 HD11 ILE 8 64.985 -4.099 4.915 66 2HD1 ILE 8 HD13 ILE 8 66.394 -5.095 4.553 67 3HD1 ILE 8 HD12 ILE 8 66.552 -3.699 5.617 68 H LEU 9 HN LEU 9 63.972 0.300 5.142 69 HA LEU 9 HA LEU 9 65.548 2.733 4.574 70 1HB LEU 9 HB2 LEU 9 62.593 2.395 5.155 71 2HB LEU 9 HB1 LEU 9 63.360 3.715 4.275 72 HG LEU 9 HG LEU 9 63.964 1.067 3.157 73 1HD1 LEU 9 HD11 LEU 9 61.111 2.100 3.145 74 2HD1 LEU 9 HD13 LEU 9 61.713 0.756 2.176 75 3HD1 LEU 9 HD12 LEU 9 61.668 0.624 3.934 76 1HD2 LEU 9 HD21 LEU 9 64.323 3.454 2.213 77 2HD2 LEU 9 HD23 LEU 9 63.690 2.226 1.116 78 3HD2 LEU 9 HD22 LEU 9 62.600 3.411 1.835 79 H GLY 10 HN GLY 10 65.553 1.135 7.264 80 1HA GLY 10 HA2 GLY 10 65.690 1.677 9.544 81 2HA GLY 10 HA1 GLY 10 65.963 3.336 9.009 82 H VAL 11 HN VAL 11 63.068 1.395 8.377 83 HA VAL 11 HA VAL 11 61.472 3.484 9.804 84 HB VAL 11 HB VAL 11 60.527 1.344 7.886 85 1HG1 VAL 11 HG12 VAL 11 59.370 3.665 9.264 86 2HG1 VAL 11 HG11 VAL 11 59.038 3.635 7.535 87 3HG1 VAL 11 HG13 VAL 11 58.569 2.268 8.544 88 1HG2 VAL 11 HG22 VAL 11 62.408 2.787 6.951 89 2HG2 VAL 11 HG21 VAL 11 60.889 2.848 6.059 90 3HG2 VAL 11 HG23 VAL 11 61.328 4.166 7.145 91 H SER 12 HN SER 12 59.281 2.400 10.617 92 HA SER 12 HA SER 12 60.069 0.210 12.432 93 1HB SER 12 HB2 SER 12 57.841 0.905 13.485 94 2HB SER 12 HB1 SER 12 59.117 2.119 13.499 95 HG SER 12 HG SER 12 56.706 2.142 12.260 96 H LYS 13 HN LYS 13 59.035 0.246 9.426 97 HA LYS 13 HA LYS 13 57.518 -0.988 8.132 98 1HB LYS 13 HB2 LYS 13 58.231 -3.155 8.223 99 2HB LYS 13 HB1 LYS 13 59.344 -2.532 9.439 100 1HG LYS 13 HG2 LYS 13 57.327 -2.993 11.090 101 2HG LYS 13 HG1 LYS 13 56.803 -4.096 9.819 102 1HD LYS 13 HD2 LYS 13 59.121 -5.115 9.881 103 2HD LYS 13 HD1 LYS 13 59.432 -4.143 11.320 104 1HE LYS 13 HE2 LYS 13 57.934 -5.353 12.629 105 2HE LYS 13 HE1 LYS 13 56.950 -5.838 11.233 106 1HZ LYS 13 HZ2 LYS 13 59.745 -6.666 11.226 107 2HZ LYS 13 HZ1 LYS 13 58.732 -7.454 12.339 108 3HZ LYS 13 HZ3 LYS 13 58.366 -7.498 10.684 109 H THR 14 HN THR 14 56.497 0.456 10.506 110 HA THR 14 HA THR 14 53.786 -0.712 10.526 111 HB THR 14 HB THR 14 53.826 -0.428 13.071 112 HG1 THR 14 HG1 THR 14 55.589 0.729 13.483 113 1HG2 THR 14 HG21 THR 14 54.192 -2.609 11.691 114 2HG2 THR 14 HG23 THR 14 55.874 -2.449 12.194 115 3HG2 THR 14 HG22 THR 14 54.604 -2.615 13.405 116 H ALA 15 HN ALA 15 55.581 1.751 9.739 117 HA ALA 15 HA ALA 15 54.333 3.975 11.187 118 1HB ALA 15 HB1 ALA 15 56.760 3.786 10.386 119 2HB ALA 15 HB3 ALA 15 56.140 3.920 8.741 120 3HB ALA 15 HB2 ALA 15 55.929 5.255 9.873 121 H GLU 16 HN GLU 16 54.463 5.540 8.674 122 HA GLU 16 HA GLU 16 52.210 4.422 7.090 123 1HB GLU 16 HB2 GLU 16 52.367 7.187 8.358 124 2HB GLU 16 HB1 GLU 16 51.063 6.618 7.311 125 1HG GLU 16 HG2 GLU 16 51.396 4.679 9.367 126 2HG GLU 16 HG1 GLU 16 51.354 6.262 10.141 127 H GLU 17 HN GLU 17 52.140 7.229 5.928 128 HA GLU 17 HA GLU 17 54.353 6.864 4.003 129 1HB GLU 17 HB2 GLU 17 52.028 8.816 4.169 130 2HB GLU 17 HB1 GLU 17 53.113 8.649 2.788 131 1HG GLU 17 HG2 GLU 17 52.174 6.042 3.468 132 2HG GLU 17 HG1 GLU 17 50.774 7.113 3.393 133 H ARG 18 HN ARG 18 53.744 8.536 6.888 134 HA ARG 18 HA ARG 18 55.155 10.993 6.333 135 1HB ARG 18 HB2 ARG 18 54.476 11.501 8.474 136 2HB ARG 18 HB1 ARG 18 53.422 10.119 8.209 137 1HG ARG 18 HG2 ARG 18 56.169 9.872 9.473 138 2HG ARG 18 HG1 ARG 18 54.699 10.111 10.409 139 1HD ARG 18 HD2 ARG 18 54.534 7.916 8.422 140 2HD ARG 18 HD1 ARG 18 55.664 7.640 9.760 141 HE ARG 18 HE ARG 18 52.749 8.155 10.053 142 1HH1 ARG 18 HH11 ARG 18 53.231 9.320 12.405 143 2HH1 ARG 18 HH12 ARG 18 53.785 8.117 13.522 144 1HH2 ARG 18 HH21 ARG 18 54.599 5.821 11.057 145 2HH2 ARG 18 HH22 ARG 18 54.562 6.139 12.758 146 H GLU 19 HN GLU 19 56.244 7.784 7.354 147 HA GLU 19 HA GLU 19 58.928 8.961 7.919 148 1HB GLU 19 HB2 GLU 19 57.365 6.918 9.103 149 2HB GLU 19 HB1 GLU 19 58.761 6.129 8.359 150 1HG GLU 19 HG2 GLU 19 60.250 7.140 9.751 151 2HG GLU 19 HG1 GLU 19 59.352 8.658 9.765 152 H ILE 20 HN ILE 20 57.280 6.521 5.966 153 HA ILE 20 HA ILE 20 59.610 5.619 4.623 154 HB ILE 20 HB ILE 20 56.772 5.289 4.578 155 1HG1 ILE 20 HG12 ILE 20 57.413 3.162 3.520 156 2HG1 ILE 20 HG11 ILE 20 59.022 3.809 3.204 157 1HG2 ILE 20 HG22 ILE 20 58.018 5.769 1.855 158 2HG2 ILE 20 HG21 ILE 20 56.511 4.885 2.094 159 3HG2 ILE 20 HG23 ILE 20 56.616 6.588 2.543 160 1HD1 ILE 20 HD12 ILE 20 59.316 4.156 5.662 161 2HD1 ILE 20 HD11 ILE 20 57.761 3.372 5.924 162 3HD1 ILE 20 HD13 ILE 20 59.102 2.461 5.232 163 H ARG 21 HN ARG 21 57.807 8.581 4.441 164 HA ARG 21 HA ARG 21 58.903 9.291 1.804 165 1HB ARG 21 HB2 ARG 21 57.358 11.088 1.902 166 2HB ARG 21 HB1 ARG 21 56.545 9.789 2.769 167 1HG ARG 21 HG2 ARG 21 57.162 10.724 4.901 168 2HG ARG 21 HG1 ARG 21 58.226 11.905 4.135 169 1HD ARG 21 HD2 ARG 21 55.206 11.772 3.791 170 2HD ARG 21 HD1 ARG 21 56.097 12.987 4.731 171 HE ARG 21 HE ARG 21 57.273 13.557 2.541 172 1HH1 ARG 21 HH21 ARG 21 56.761 12.346 0.305 173 2HH1 ARG 21 HH22 ARG 21 55.166 12.736 -0.247 174 1HH2 ARG 21 HH11 ARG 21 54.105 13.928 2.831 175 2HH2 ARG 21 HH12 ARG 21 53.663 13.631 1.183 176 H LYS 22 HN LYS 22 59.495 10.038 5.171 177 HA LYS 22 HA LYS 22 61.508 12.081 4.427 178 1HB LYS 22 HB2 LYS 22 59.800 12.468 6.238 179 2HB LYS 22 HB1 LYS 22 60.494 11.109 7.126 180 1HG LYS 22 HG2 LYS 22 62.751 12.435 6.768 181 2HG LYS 22 HG1 LYS 22 61.666 13.814 6.584 182 1HD LYS 22 HD2 LYS 22 62.369 13.546 8.937 183 2HD LYS 22 HD1 LYS 22 60.632 13.297 8.761 184 1HE LYS 22 HE2 LYS 22 60.779 11.130 9.439 185 2HE LYS 22 HE1 LYS 22 62.190 10.826 8.405 186 1HZ LYS 22 HZ3 LYS 22 62.310 12.456 10.882 187 2HZ LYS 22 HZ2 LYS 22 62.661 10.794 10.853 188 3HZ LYS 22 HZ1 LYS 22 63.612 11.881 9.958 189 H ALA 23 HN ALA 23 61.052 8.821 5.537 190 HA ALA 23 HA ALA 23 63.841 8.446 6.416 191 1HB ALA 23 HB2 ALA 23 61.749 7.225 7.258 192 2HB ALA 23 HB1 ALA 23 61.744 6.367 5.717 193 3HB ALA 23 HB3 ALA 23 63.107 6.186 6.822 194 H TYR 24 HN TYR 24 61.797 7.381 3.684 195 HA TYR 24 HA TYR 24 63.595 5.978 2.104 196 1HB TYR 24 HB2 TYR 24 61.390 6.263 1.301 197 2HB TYR 24 HB1 TYR 24 61.435 8.008 1.543 198 HD1 TYR 24 HD2 TYR 24 62.727 9.466 0.000 199 HD2 TYR 24 HD1 TYR 24 62.260 5.259 -0.714 200 HE1 TYR 24 HE2 TYR 24 63.465 9.784 -2.345 201 HE2 TYR 24 HE1 TYR 24 63.000 5.574 -3.058 202 HH TYR 24 HH TYR 24 62.922 7.806 -4.727 203 H LYS 25 HN LYS 25 63.164 9.504 2.280 204 HA LYS 25 HA LYS 25 65.491 10.067 0.601 205 1HB LYS 25 HB2 LYS 25 63.138 11.339 1.502 206 2HB LYS 25 HB1 LYS 25 64.472 12.276 2.174 207 1HG LYS 25 HG2 LYS 25 65.474 12.059 -0.248 208 2HG LYS 25 HG1 LYS 25 63.798 11.741 -0.702 209 1HD LYS 25 HD2 LYS 25 63.503 13.904 0.947 210 2HD LYS 25 HD1 LYS 25 65.059 14.254 0.193 211 1HE LYS 25 HE2 LYS 25 64.125 14.570 -1.882 212 2HE LYS 25 HE1 LYS 25 62.915 13.294 -1.637 213 1HZ LYS 25 HZ3 LYS 25 61.873 14.770 0.049 214 2HZ LYS 25 HZ2 LYS 25 62.925 16.011 -0.439 215 3HZ LYS 25 HZ1 LYS 25 61.788 15.377 -1.532 216 H ARG 26 HN ARG 26 64.663 10.352 4.099 217 HA ARG 26 HA ARG 26 67.176 11.508 4.895 218 1HB ARG 26 HB2 ARG 26 65.186 11.453 6.312 219 2HB ARG 26 HB1 ARG 26 65.237 9.690 6.354 220 1HG ARG 26 HG2 ARG 26 66.227 10.773 8.392 221 2HG ARG 26 HG1 ARG 26 67.351 9.720 7.535 222 1HD ARG 26 HD2 ARG 26 68.695 11.467 6.887 223 2HD ARG 26 HD1 ARG 26 67.323 12.574 6.680 224 HE ARG 26 HE ARG 26 67.238 12.795 9.151 225 1HH1 ARG 26 HH11 ARG 26 68.756 10.373 9.952 226 2HH1 ARG 26 HH12 ARG 26 70.314 11.015 10.348 227 1HH2 ARG 26 HH21 ARG 26 69.784 14.026 8.715 228 2HH2 ARG 26 HH22 ARG 26 70.896 13.084 9.650 229 H LEU 27 HN LEU 27 66.316 8.225 4.031 230 HA LEU 27 HA LEU 27 68.862 7.188 5.180 231 1HB LEU 27 HB2 LEU 27 66.205 6.207 4.663 232 2HB LEU 27 HB1 LEU 27 67.379 5.193 3.828 233 HG LEU 27 HG LEU 27 66.991 4.381 6.128 234 1HD1 LEU 27 HD12 LEU 27 69.398 4.705 4.884 235 2HD1 LEU 27 HD11 LEU 27 69.697 5.557 6.399 236 3HD1 LEU 27 HD13 LEU 27 69.197 3.866 6.422 237 1HD2 LEU 27 HD23 LEU 27 66.502 6.799 6.932 238 2HD2 LEU 27 HD22 LEU 27 67.370 5.731 8.036 239 3HD2 LEU 27 HD21 LEU 27 68.251 6.944 7.108 240 H ALA 28 HN ALA 28 67.250 7.768 2.077 241 HA ALA 28 HA ALA 28 69.211 6.348 0.480 242 1HB ALA 28 HB2 ALA 28 66.852 6.951 -0.154 243 2HB ALA 28 HB1 ALA 28 67.376 8.632 -0.265 244 3HB ALA 28 HB3 ALA 28 68.057 7.423 -1.353 245 H MET 29 HN MET 29 68.874 9.588 1.784 246 HA MET 29 HA MET 29 70.679 11.080 0.247 247 1HB MET 29 HB2 MET 29 69.317 11.725 2.274 248 2HB MET 29 HB1 MET 29 70.545 10.930 3.261 249 1HG MET 29 HG2 MET 29 71.751 12.825 3.217 250 2HG MET 29 HG1 MET 29 71.944 12.611 1.478 251 1HE MET 29 HE1 MET 29 70.696 14.180 4.328 252 2HE MET 29 HE3 MET 29 71.177 15.691 3.542 253 3HE MET 29 HE2 MET 29 69.483 15.389 3.920 254 H LYS 30 HN LYS 30 71.264 8.908 2.938 255 HA LYS 30 HA LYS 30 74.060 8.973 3.200 256 1HB LYS 30 HB2 LYS 30 71.744 7.352 3.850 257 2HB LYS 30 HB1 LYS 30 73.128 6.319 3.479 258 1HG LYS 30 HG2 LYS 30 73.503 6.703 5.738 259 2HG LYS 30 HG1 LYS 30 74.425 8.029 5.031 260 1HD LYS 30 HD2 LYS 30 72.025 9.235 5.189 261 2HD LYS 30 HD1 LYS 30 71.851 8.101 6.529 262 1HE LYS 30 HE2 LYS 30 73.153 9.428 7.819 263 2HE LYS 30 HE1 LYS 30 74.479 9.271 6.651 264 1HZ LYS 30 HZ1 LYS 30 72.210 10.977 5.937 265 2HZ LYS 30 HZ3 LYS 30 73.315 11.580 7.073 266 3HZ LYS 30 HZ2 LYS 30 73.851 11.131 5.525 267 H TYR 31 HN TYR 31 72.076 7.790 0.644 268 HA TYR 31 HA TYR 31 74.418 6.330 -0.550 269 1HB TYR 31 HB2 TYR 31 71.471 5.888 -1.079 270 2HB TYR 31 HB1 TYR 31 72.812 4.804 -1.468 271 HD1 TYR 31 HD1 TYR 31 74.430 4.917 0.987 272 HD2 TYR 31 HD2 TYR 31 70.168 4.717 0.501 273 HE1 TYR 31 HE1 TYR 31 74.228 3.851 3.217 274 HE2 TYR 31 HE2 TYR 31 69.964 3.649 2.731 275 HH TYR 31 HH TYR 31 72.845 3.050 4.751 276 H HIS 32 HN HIS 32 71.715 8.545 -1.232 277 HA HIS 32 HA HIS 32 71.430 8.927 -3.850 278 1HB HIS 32 HB2 HIS 32 71.567 10.601 -1.557 279 2HB HIS 32 HB1 HIS 32 72.370 11.459 -2.878 280 HD1 HIS 32 HD1 HIS 32 70.923 11.528 -5.202 281 HD2 HIS 32 HD2 HIS 32 68.801 10.692 -1.713 282 HE1 HIS 32 HE1 HIS 32 68.480 11.931 -5.736 283 HA PRO 33 HA PRO 33 75.859 8.608 -5.050 284 1HB PRO 33 HB2 PRO 33 75.241 7.616 -7.536 285 2HB PRO 33 HB1 PRO 33 75.375 6.600 -6.084 286 1HG PRO 33 HG2 PRO 33 72.926 7.785 -7.333 287 2HG PRO 33 HG1 PRO 33 73.210 6.120 -6.781 288 1HD PRO 33 HD2 PRO 33 71.867 7.809 -5.251 289 2HD PRO 33 HD1 PRO 33 73.064 6.708 -4.528 290 H ASP 34 HN ASP 34 73.069 10.088 -6.675 291 HA ASP 34 HA ASP 34 74.105 11.485 -8.811 292 1HB ASP 34 HB2 ASP 34 71.815 11.601 -7.616 293 2HB ASP 34 HB1 ASP 34 72.542 12.851 -6.607 294 H ARG 35 HN ARG 35 74.555 12.259 -5.383 295 HA ARG 35 HA ARG 35 76.663 14.250 -6.051 296 1HB ARG 35 HB2 ARG 35 76.132 15.104 -3.893 297 2HB ARG 35 HB1 ARG 35 74.572 14.652 -4.565 298 1HG ARG 35 HG2 ARG 35 74.797 12.435 -3.396 299 2HG ARG 35 HG1 ARG 35 76.251 13.043 -2.608 300 1HD ARG 35 HD2 ARG 35 73.630 14.553 -2.441 301 2HD ARG 35 HD1 ARG 35 74.049 13.276 -1.282 302 HE ARG 35 HE ARG 35 76.266 15.087 -1.616 303 1HH1 ARG 35 HH11 ARG 35 75.396 14.019 1.025 304 2HH1 ARG 35 HH12 ARG 35 74.735 15.423 1.795 305 1HH2 ARG 35 HH21 ARG 35 74.434 17.226 -1.152 306 2HH2 ARG 35 HH22 ARG 35 74.188 17.237 0.563 307 H ASN 36 HN ASN 36 75.985 11.114 -4.756 308 HA ASN 36 HA ASN 36 78.678 10.869 -3.508 309 1HB ASN 36 HB2 ASN 36 75.995 9.507 -3.280 310 2HB ASN 36 HB1 ASN 36 77.453 8.721 -2.679 311 1HD2 ASN 36 HD22 ASN 36 77.929 10.974 0.034 312 2HD2 ASN 36 HD21 ASN 36 78.690 9.822 -0.955 313 H GLN 37 HN GLN 37 78.618 10.732 -6.429 314 HA GLN 37 HA GLN 37 78.585 7.873 -7.120 315 1HB GLN 37 HB2 GLN 37 79.203 10.455 -8.527 316 2HB GLN 37 HB1 GLN 37 79.643 8.918 -9.272 317 1HG GLN 37 HG2 GLN 37 77.485 8.356 -9.702 318 2HG GLN 37 HG1 GLN 37 76.906 9.015 -8.174 319 1HE2 GLN 37 HE22 GLN 37 75.576 11.223 -10.854 320 2HE2 GLN 37 HE21 GLN 37 75.364 9.604 -10.388 321 H GLY 38 HN GLY 38 80.675 9.659 -5.321 322 1HA GLY 38 HA2 GLY 38 83.236 8.997 -6.445 323 2HA GLY 38 HA1 GLY 38 82.938 9.358 -4.738 324 H ASP 39 HN ASP 39 80.753 7.176 -4.997 325 HA ASP 39 HA ASP 39 82.532 4.780 -4.785 326 1HB ASP 39 HB2 ASP 39 81.011 6.169 -2.791 327 2HB ASP 39 HB1 ASP 39 80.230 4.613 -3.071 328 H LYS 40 HN LYS 40 79.242 6.043 -5.262 329 HA LYS 40 HA LYS 40 77.499 5.334 -6.672 330 1HB LYS 40 HB2 LYS 40 79.631 3.604 -7.783 331 2HB LYS 40 HB1 LYS 40 78.233 4.209 -8.649 332 1HG LYS 40 HG2 LYS 40 79.074 6.504 -8.313 333 2HG LYS 40 HG1 LYS 40 80.474 5.853 -7.464 334 1HD LYS 40 HD2 LYS 40 80.379 4.434 -9.880 335 2HD LYS 40 HD1 LYS 40 80.041 6.109 -10.321 336 1HE LYS 40 HE2 LYS 40 82.101 6.880 -9.501 337 2HE LYS 40 HE1 LYS 40 82.306 5.478 -8.431 338 1HZ LYS 40 HZ1 LYS 40 82.072 4.273 -10.791 339 2HZ LYS 40 HZ3 LYS 40 82.816 5.714 -11.286 340 3HZ LYS 40 HZ2 LYS 40 83.570 4.725 -10.127 341 H GLU 41 HN GLU 41 78.960 3.403 -4.448 342 HA GLU 41 HA GLU 41 77.794 0.815 -4.963 343 1HB GLU 41 HB2 GLU 41 78.328 0.502 -2.532 344 2HB GLU 41 HB1 GLU 41 79.679 1.192 -3.432 345 1HG GLU 41 HG2 GLU 41 79.689 2.941 -2.020 346 2HG GLU 41 HG1 GLU 41 78.071 3.368 -2.580 347 H ALA 42 HN ALA 42 76.421 3.803 -4.145 348 HA ALA 42 HA ALA 42 74.218 2.834 -2.488 349 1HB ALA 42 HB2 ALA 42 75.097 5.353 -3.852 350 2HB ALA 42 HB1 ALA 42 73.394 5.219 -3.408 351 3HB ALA 42 HB3 ALA 42 74.641 5.099 -2.167 352 H GLU 43 HN GLU 43 75.010 3.036 -5.844 353 HA GLU 43 HA GLU 43 72.642 3.224 -7.245 354 1HB GLU 43 HB2 GLU 43 74.785 2.854 -8.288 355 2HB GLU 43 HB1 GLU 43 74.971 1.298 -7.478 356 1HG GLU 43 HG2 GLU 43 73.200 0.313 -8.769 357 2HG GLU 43 HG1 GLU 43 72.707 1.883 -9.403 358 H ALA 44 HN ALA 44 73.737 0.537 -5.215 359 HA ALA 44 HA ALA 44 71.409 -1.139 -5.889 360 1HB ALA 44 HB2 ALA 44 73.912 -1.297 -4.233 361 2HB ALA 44 HB1 ALA 44 72.595 -2.413 -3.869 362 3HB ALA 44 HB3 ALA 44 73.328 -2.407 -5.474 363 H LYS 45 HN LYS 45 72.732 0.357 -2.878 364 HA LYS 45 HA LYS 45 70.558 -0.070 -1.185 365 1HB LYS 45 HB2 LYS 45 72.848 1.622 -1.346 366 2HB LYS 45 HB1 LYS 45 71.479 2.633 -0.870 367 1HG LYS 45 HG2 LYS 45 71.793 1.832 1.218 368 2HG LYS 45 HG1 LYS 45 71.128 0.311 0.617 369 1HD LYS 45 HD2 LYS 45 73.826 0.415 -0.236 370 2HD LYS 45 HD1 LYS 45 73.814 0.878 1.467 371 1HE LYS 45 HE2 LYS 45 72.069 -1.237 1.498 372 2HE LYS 45 HE1 LYS 45 73.209 -1.744 0.234 373 1HZ LYS 45 HZ1 LYS 45 74.113 -0.590 2.807 374 2HZ LYS 45 HZ3 LYS 45 73.870 -2.257 2.612 375 3HZ LYS 45 HZ2 LYS 45 75.027 -1.453 1.664 376 H PHE 46 HN PHE 46 70.835 2.184 -3.886 377 HA PHE 46 HA PHE 46 68.552 3.816 -3.394 378 1HB PHE 46 HB2 PHE 46 70.449 3.758 -5.256 379 2HB PHE 46 HB1 PHE 46 69.261 2.793 -6.133 380 HD1 PHE 46 HD1 PHE 46 69.469 5.963 -4.131 381 HD2 PHE 46 HD2 PHE 46 67.693 3.897 -7.452 382 HE1 PHE 46 HE1 PHE 46 68.261 8.032 -4.771 383 HE2 PHE 46 HE2 PHE 46 66.483 5.967 -8.092 384 HZ PHE 46 HZ PHE 46 66.768 8.033 -6.751 385 H LYS 47 HN LYS 47 68.925 0.543 -4.585 386 HA LYS 47 HA LYS 47 66.137 0.218 -5.293 387 1HB LYS 47 HB2 LYS 47 66.887 -1.884 -6.017 388 2HB LYS 47 HB1 LYS 47 68.422 -1.030 -6.017 389 1HG LYS 47 HG2 LYS 47 69.205 -2.164 -4.170 390 2HG LYS 47 HG1 LYS 47 67.600 -2.400 -3.490 391 1HD LYS 47 HD2 LYS 47 67.777 -4.501 -4.302 392 2HD LYS 47 HD1 LYS 47 67.406 -3.757 -5.857 393 1HE LYS 47 HE2 LYS 47 69.756 -3.545 -6.399 394 2HE LYS 47 HE1 LYS 47 70.223 -4.091 -4.776 395 1HZ LYS 47 HZ3 LYS 47 68.764 -6.107 -5.302 396 2HZ LYS 47 HZ2 LYS 47 68.897 -5.626 -6.926 397 3HZ LYS 47 HZ1 LYS 47 70.289 -6.030 -6.040 398 H GLU 48 HN GLU 48 68.356 -0.518 -2.613 399 HA GLU 48 HA GLU 48 66.426 -1.699 -0.889 400 1HB GLU 48 HB2 GLU 48 68.873 0.034 -0.385 401 2HB GLU 48 HB1 GLU 48 68.014 -0.818 0.895 402 1HG GLU 48 HG2 GLU 48 68.437 -2.759 -1.078 403 2HG GLU 48 HG1 GLU 48 69.948 -1.850 -1.011 404 H ILE 49 HN ILE 49 66.831 1.486 -2.157 405 HA ILE 49 HA ILE 49 65.136 2.700 -0.065 406 HB ILE 49 HB ILE 49 66.470 3.779 -2.570 407 1HG1 ILE 49 HG12 ILE 49 68.334 3.608 -1.270 408 2HG1 ILE 49 HG11 ILE 49 67.670 5.002 -0.423 409 1HG2 ILE 49 HG23 ILE 49 64.329 4.842 -1.358 410 2HG2 ILE 49 HG22 ILE 49 65.597 5.542 -0.355 411 3HG2 ILE 49 HG21 ILE 49 65.590 5.826 -2.097 412 1HD1 ILE 49 HD13 ILE 49 66.426 3.359 1.057 413 2HD1 ILE 49 HD12 ILE 49 67.402 2.090 0.322 414 3HD1 ILE 49 HD11 ILE 49 68.177 3.369 1.247 415 H LYS 50 HN LYS 50 65.138 2.741 -3.641 416 HA LYS 50 HA LYS 50 62.230 3.129 -3.559 417 1HB LYS 50 HB2 LYS 50 62.572 3.372 -6.038 418 2HB LYS 50 HB1 LYS 50 63.611 4.435 -5.089 419 1HG LYS 50 HG2 LYS 50 65.502 3.395 -5.785 420 2HG LYS 50 HG1 LYS 50 64.791 1.791 -5.598 421 1HD LYS 50 HD2 LYS 50 63.948 3.598 -7.859 422 2HD LYS 50 HD1 LYS 50 65.384 2.583 -7.999 423 1HE LYS 50 HE2 LYS 50 64.149 0.594 -7.903 424 2HE LYS 50 HE1 LYS 50 62.782 1.370 -7.081 425 1HZ LYS 50 HZ3 LYS 50 62.940 2.832 -9.304 426 2HZ LYS 50 HZ2 LYS 50 63.454 1.329 -9.905 427 3HZ LYS 50 HZ1 LYS 50 61.939 1.471 -9.154 428 H GLU 51 HN GLU 51 64.445 0.456 -3.941 429 HA GLU 51 HA GLU 51 62.459 -1.214 -5.358 430 1HB GLU 51 HB2 GLU 51 65.053 -1.167 -5.612 431 2HB GLU 51 HB1 GLU 51 65.077 -2.072 -4.102 432 1HG GLU 51 HG2 GLU 51 65.126 -3.464 -6.187 433 2HG GLU 51 HG1 GLU 51 63.847 -3.858 -5.041 434 H ALA 52 HN ALA 52 63.690 -0.549 -2.158 435 HA ALA 52 HA ALA 52 62.366 -2.876 -0.894 436 1HB ALA 52 HB2 ALA 52 64.599 -1.520 -0.365 437 2HB ALA 52 HB1 ALA 52 63.484 -0.489 0.531 438 3HB ALA 52 HB3 ALA 52 63.634 -2.193 0.947 439 H TYR 53 HN TYR 53 62.221 0.655 -0.668 440 HA TYR 53 HA TYR 53 59.713 0.662 0.808 441 1HB TYR 53 HB2 TYR 53 60.652 2.616 1.401 442 2HB TYR 53 HB1 TYR 53 61.980 2.251 0.319 443 HD1 TYR 53 HD2 TYR 53 61.051 2.598 -2.310 444 HD2 TYR 53 HD1 TYR 53 59.950 4.795 1.198 445 HE1 TYR 53 HE2 TYR 53 60.538 4.566 -3.714 446 HE2 TYR 53 HE1 TYR 53 59.439 6.772 -0.192 447 HH TYR 53 HH TYR 53 60.434 7.130 -3.329 448 H GLU 54 HN GLU 54 60.161 -0.135 -2.282 449 HA GLU 54 HA GLU 54 58.236 1.615 -3.627 450 1HB GLU 54 HB2 GLU 54 59.513 0.713 -5.283 451 2HB GLU 54 HB1 GLU 54 60.102 -0.560 -4.218 452 1HG GLU 54 HG2 GLU 54 58.346 -2.013 -4.777 453 2HG GLU 54 HG1 GLU 54 57.315 -0.701 -5.350 454 H VAL 55 HN VAL 55 58.204 -1.322 -1.760 455 HA VAL 55 HA VAL 55 55.377 -1.867 -2.526 456 HB VAL 55 HB VAL 55 56.029 -4.027 -2.326 457 1HG1 VAL 55 HG11 VAL 55 58.299 -3.033 -2.870 458 2HG1 VAL 55 HG13 VAL 55 58.668 -3.155 -1.150 459 3HG1 VAL 55 HG12 VAL 55 58.324 -4.612 -2.083 460 1HG2 VAL 55 HG23 VAL 55 56.499 -3.184 0.516 461 2HG2 VAL 55 HG22 VAL 55 55.377 -4.385 -0.123 462 3HG2 VAL 55 HG21 VAL 55 57.100 -4.749 -0.013 463 H LEU 56 HN LEU 56 56.603 0.302 -0.729 464 HA LEU 56 HA LEU 56 55.000 -0.239 1.727 465 1HB LEU 56 HB2 LEU 56 57.518 1.135 1.004 466 2HB LEU 56 HB1 LEU 56 56.539 1.971 2.212 467 HG LEU 56 HG LEU 56 56.575 0.079 3.679 468 1HD1 LEU 56 HD11 LEU 56 57.675 -1.379 1.268 469 2HD1 LEU 56 HD13 LEU 56 57.809 -2.032 2.901 470 3HD1 LEU 56 HD12 LEU 56 56.218 -1.750 2.193 471 1HD2 LEU 56 HD21 LEU 56 59.074 1.101 2.532 472 2HD2 LEU 56 HD23 LEU 56 58.628 0.875 4.223 473 3HD2 LEU 56 HD22 LEU 56 59.266 -0.479 3.289 474 H THR 57 HN THR 57 54.685 1.159 -1.225 475 HA THR 57 HA THR 57 52.697 3.142 -0.256 476 HB THR 57 HB THR 57 53.865 4.962 -0.986 477 HG1 THR 57 HG1 THR 57 54.814 5.019 -2.993 478 1HG2 THR 57 HG23 THR 57 55.618 3.741 0.289 479 2HG2 THR 57 HG22 THR 57 56.163 2.995 -1.213 480 3HG2 THR 57 HG21 THR 57 56.304 4.739 -0.994 481 H ASP 58 HN ASP 58 53.119 0.507 -2.001 482 HA ASP 58 HA ASP 58 51.751 1.449 -4.481 483 1HB ASP 58 HB2 ASP 58 53.697 0.135 -4.885 484 2HB ASP 58 HB1 ASP 58 53.252 -1.039 -3.641 485 H SER 59 HN SER 59 49.561 1.526 -4.082 486 HA SER 59 HA SER 59 47.422 0.888 -3.279 487 1HB SER 59 HB2 SER 59 47.328 -0.297 -5.266 488 2HB SER 59 HB1 SER 59 48.725 -1.290 -4.858 489 HG SER 59 HG SER 59 46.299 -2.049 -4.702 490 H GLN 60 HN GLN 60 48.680 -2.347 -2.910 491 HA GLN 60 HA GLN 60 47.702 -2.478 -0.153 492 1HB GLN 60 HB2 GLN 60 48.368 -4.834 -0.390 493 2HB GLN 60 HB1 GLN 60 47.494 -4.300 -1.827 494 1HG GLN 60 HG2 GLN 60 49.978 -3.658 -2.605 495 2HG GLN 60 HG1 GLN 60 50.369 -4.975 -1.501 496 1HE2 GLN 60 HE22 GLN 60 48.716 -5.806 -5.097 497 2HE2 GLN 60 HE21 GLN 60 49.120 -4.222 -4.643 498 H LYS 61 HN LYS 61 50.860 -2.272 -1.751 499 HA LYS 61 HA LYS 61 53.035 -2.137 -0.898 500 1HB LYS 61 HB2 LYS 61 52.678 -0.667 1.442 501 2HB LYS 61 HB1 LYS 61 52.915 -0.001 -0.168 502 1HG LYS 61 HG2 LYS 61 50.371 -0.203 -0.457 503 2HG LYS 61 HG1 LYS 61 50.309 -0.486 1.283 504 1HD LYS 61 HD2 LYS 61 50.464 1.721 1.662 505 2HD LYS 61 HD1 LYS 61 51.994 1.775 0.786 506 1HE LYS 61 HE2 LYS 61 50.926 2.986 -0.807 507 2HE LYS 61 HE1 LYS 61 50.011 1.517 -1.202 508 1HZ LYS 61 HZ2 LYS 61 49.218 3.026 1.178 509 2HZ LYS 61 HZ1 LYS 61 48.807 3.685 -0.333 510 3HZ LYS 61 HZ3 LYS 61 48.260 2.137 0.092 511 H ARG 62 HN ARG 62 51.541 -1.934 2.237 512 HA ARG 62 HA ARG 62 53.262 -3.692 3.593 513 1HB ARG 62 HB2 ARG 62 50.322 -3.314 4.216 514 2HB ARG 62 HB1 ARG 62 51.646 -3.553 5.356 515 1HG ARG 62 HG2 ARG 62 52.254 -1.268 3.727 516 2HG ARG 62 HG1 ARG 62 50.621 -1.083 4.367 517 1HD ARG 62 HD2 ARG 62 52.906 -1.923 6.151 518 2HD ARG 62 HD1 ARG 62 52.567 -0.213 5.824 519 HE ARG 62 HE ARG 62 50.087 -1.354 6.451 520 1HH1 ARG 62 HH21 ARG 62 50.941 -3.087 8.441 521 2HH1 ARG 62 HH22 ARG 62 51.289 -2.110 9.828 522 1HH2 ARG 62 HH11 ARG 62 51.497 0.842 8.022 523 2HH2 ARG 62 HH12 ARG 62 51.606 0.115 9.590 524 H ALA 63 HN ALA 63 49.918 -4.496 2.537 525 HA ALA 63 HA ALA 63 49.949 -7.241 3.076 526 1HB ALA 63 HB2 ALA 63 48.513 -5.335 1.417 527 2HB ALA 63 HB1 ALA 63 48.619 -6.901 0.613 528 3HB ALA 63 HB3 ALA 63 47.900 -6.782 2.219 529 H ALA 64 HN ALA 64 51.226 -5.558 0.203 530 HA ALA 64 HA ALA 64 52.154 -8.085 -1.002 531 1HB ALA 64 HB1 ALA 64 52.230 -5.142 -1.674 532 2HB ALA 64 HB3 ALA 64 53.098 -6.325 -2.653 533 3HB ALA 64 HB2 ALA 64 51.343 -6.426 -2.497 534 H TYR 65 HN TYR 65 53.291 -5.837 1.276 535 HA TYR 65 HA TYR 65 56.130 -5.993 0.642 536 1HB TYR 65 HB2 TYR 65 55.982 -4.136 1.960 537 2HB TYR 65 HB1 TYR 65 54.317 -4.517 2.325 538 HD1 TYR 65 HD1 TYR 65 57.841 -5.191 3.319 539 HD2 TYR 65 HD2 TYR 65 53.713 -5.284 4.497 540 HE1 TYR 65 HE1 TYR 65 58.518 -5.702 5.649 541 HE2 TYR 65 HE2 TYR 65 54.387 -5.798 6.825 542 HH TYR 65 HH TYR 65 57.822 -5.943 7.754 543 H ASP 66 HN ASP 66 53.993 -7.376 3.034 544 HA ASP 66 HA ASP 66 55.918 -8.612 4.567 545 1HB ASP 66 HB2 ASP 66 53.983 -9.076 5.627 546 2HB ASP 66 HB1 ASP 66 53.112 -8.523 4.202 547 H GLN 67 HN GLN 67 55.050 -9.388 1.326 548 HA GLN 67 HA GLN 67 57.110 -11.318 0.985 549 1HB GLN 67 HB2 GLN 67 54.626 -12.237 2.229 550 2HB GLN 67 HB1 GLN 67 55.030 -13.162 0.783 551 1HG GLN 67 HG2 GLN 67 57.447 -12.774 2.231 552 2HG GLN 67 HG1 GLN 67 56.228 -13.313 3.386 553 1HE2 GLN 67 HE22 GLN 67 57.243 -16.547 2.209 554 2HE2 GLN 67 HE21 GLN 67 57.500 -15.404 3.439 555 H TYR 68 HN TYR 68 56.046 -9.195 -0.562 556 HA TYR 68 HA TYR 68 55.365 -10.660 -3.054 557 1HB TYR 68 HB2 TYR 68 53.508 -9.267 -1.366 558 2HB TYR 68 HB1 TYR 68 53.647 -8.389 -2.894 559 HD1 TYR 68 HD2 TYR 68 53.376 -9.693 -5.073 560 HD2 TYR 68 HD1 TYR 68 52.319 -11.307 -1.236 561 HE1 TYR 68 HE2 TYR 68 51.971 -11.410 -6.182 562 HE2 TYR 68 HE1 TYR 68 50.915 -13.024 -2.343 563 HH TYR 68 HH TYR 68 50.951 -13.468 -5.813 564 H GLY 69 HN GLY 69 57.763 -9.688 -3.009 565 1HA GLY 69 HA2 GLY 69 58.132 -6.870 -3.343 566 2HA GLY 69 HA1 GLY 69 59.260 -8.110 -3.887 567 H HIS 70 HN HIS 70 57.652 -9.485 -5.732 568 HA HIS 70 HA HIS 70 56.510 -7.535 -7.620 569 1HB HIS 70 HB2 HIS 70 59.219 -7.858 -7.592 570 2HB HIS 70 HB1 HIS 70 58.747 -9.074 -8.779 571 HD1 HIS 70 HD1 HIS 70 58.099 -5.380 -8.053 572 HD2 HIS 70 HD2 HIS 70 58.246 -8.014 -11.282 573 HE1 HIS 70 HE1 HIS 70 57.789 -3.976 -10.138 574 H ALA 71 HN ALA 71 54.667 -8.866 -7.771 575 HA ALA 71 HA ALA 71 53.396 -10.790 -8.366 576 1HB ALA 71 HB2 ALA 71 55.592 -10.305 -10.347 577 2HB ALA 71 HB1 ALA 71 54.563 -11.720 -10.569 578 3HB ALA 71 HB3 ALA 71 53.851 -10.107 -10.546 579 H ALA 72 HN ALA 72 55.659 -11.238 -6.411 580 HA ALA 72 HA ALA 72 57.265 -13.440 -6.779 581 1HB ALA 72 HB2 ALA 72 55.860 -12.122 -4.605 582 2HB ALA 72 HB1 ALA 72 55.999 -13.853 -4.298 583 3HB ALA 72 HB3 ALA 72 57.447 -12.891 -4.592 584 H PHE 73 HN PHE 73 53.883 -13.732 -5.602 585 HA PHE 73 HA PHE 73 53.776 -16.424 -6.929 586 1HB PHE 73 HB2 PHE 73 53.525 -15.621 -4.193 587 2HB PHE 73 HB1 PHE 73 51.948 -16.199 -4.735 588 HD1 PHE 73 HD1 PHE 73 55.392 -17.220 -5.782 589 HD2 PHE 73 HD2 PHE 73 51.715 -18.381 -3.887 590 HE1 PHE 73 HE1 PHE 73 56.201 -19.560 -5.648 591 HE2 PHE 73 HE2 PHE 73 52.525 -20.722 -3.752 592 HZ PHE 73 HZ PHE 73 54.767 -21.312 -4.634 593 H GLU 74 HN GLU 74 51.634 -17.019 -7.734 594 HA GLU 74 HA GLU 74 49.297 -15.421 -7.602 595 1HB GLU 74 HB2 GLU 74 49.617 -14.350 -9.949 596 2HB GLU 74 HB1 GLU 74 50.472 -13.618 -8.593 597 1HG GLU 74 HG2 GLU 74 52.497 -14.150 -9.449 598 2HG GLU 74 HG1 GLU 74 51.987 -15.794 -9.839 599 H GLN 75 HN GLN 75 49.472 -18.097 -7.645 600 HA GLN 75 HA GLN 75 48.883 -20.074 -8.817 601 1HB GLN 75 HB2 GLN 75 47.220 -17.992 -10.269 602 2HB GLN 75 HB1 GLN 75 46.833 -19.705 -10.094 603 1HG GLN 75 HG2 GLN 75 46.007 -19.410 -8.009 604 2HG GLN 75 HG1 GLN 75 47.367 -18.395 -7.528 605 1HE2 GLN 75 HE22 GLN 75 45.348 -15.527 -7.680 606 2HE2 GLN 75 HE21 GLN 75 46.582 -16.386 -6.891 607 H GLY 76 HN GLY 76 51.196 -19.874 -9.818 608 1HA GLY 76 HA2 GLY 76 51.157 -20.620 -12.523 609 2HA GLY 76 HA1 GLY 76 51.481 -18.886 -12.508 610 H GLY 77 HN GLY 77 53.238 -18.294 -10.752 611 1HA GLY 77 HA2 GLY 77 55.213 -19.461 -9.566 612 2HA GLY 77 HA1 GLY 77 55.489 -20.222 -11.134 No H/Q in entry = 612 Start of MODEL 15 1 1H ALA 1 HT2 ALA 1 64.662 -15.115 2.499 2 2H ALA 1 HT1 ALA 1 63.783 -14.034 1.526 3 3H ALA 1 HT3 ALA 1 65.078 -14.909 0.864 4 HA ALA 1 HA ALA 1 66.636 -13.503 1.664 5 1HB ALA 1 HB2 ALA 1 64.857 -12.210 0.452 6 2HB ALA 1 HB1 ALA 1 64.115 -11.848 2.011 7 3HB ALA 1 HB3 ALA 1 65.727 -11.236 1.638 8 H LYS 2 HN LYS 2 67.594 -12.468 3.525 9 HA LYS 2 HA LYS 2 66.285 -13.211 6.110 10 1HB LYS 2 HB2 LYS 2 69.010 -13.150 4.989 11 2HB LYS 2 HB1 LYS 2 68.903 -12.513 6.630 12 1HG LYS 2 HG2 LYS 2 68.163 -14.535 7.513 13 2HG LYS 2 HG1 LYS 2 67.501 -15.082 5.972 14 1HD LYS 2 HD2 LYS 2 70.273 -14.702 5.550 15 2HD LYS 2 HD1 LYS 2 70.119 -15.565 7.081 16 1HE LYS 2 HE2 LYS 2 70.033 -17.381 5.640 17 2HE LYS 2 HE1 LYS 2 68.310 -16.956 5.632 18 1HZ LYS 2 HZ2 LYS 2 69.531 -15.233 3.847 19 2HZ LYS 2 HZ1 LYS 2 70.197 -16.761 3.516 20 3HZ LYS 2 HZ3 LYS 2 68.516 -16.542 3.469 21 H GLN 3 HN GLN 3 65.186 -10.927 5.046 22 HA GLN 3 HA GLN 3 65.726 -8.921 7.040 23 1HB GLN 3 HB2 GLN 3 66.868 -7.288 5.592 24 2HB GLN 3 HB1 GLN 3 67.804 -8.779 5.673 25 1HG GLN 3 HG2 GLN 3 66.218 -9.346 3.553 26 2HG GLN 3 HG1 GLN 3 66.331 -7.594 3.386 27 1HE2 GLN 3 HE22 GLN 3 69.262 -8.968 1.578 28 2HE2 GLN 3 HE21 GLN 3 67.576 -8.973 1.378 29 H ASP 4 HN ASP 4 64.149 -7.325 6.996 30 HA ASP 4 HA ASP 4 61.880 -7.773 5.170 31 1HB ASP 4 HB2 ASP 4 62.000 -7.337 7.754 32 2HB ASP 4 HB1 ASP 4 62.126 -5.644 7.280 33 H TYR 5 HN TYR 5 61.210 -4.800 5.561 34 HA TYR 5 HA TYR 5 63.221 -3.430 3.912 35 1HB TYR 5 HB2 TYR 5 60.733 -3.123 2.517 36 2HB TYR 5 HB1 TYR 5 62.256 -3.780 1.925 37 HD1 TYR 5 HD2 TYR 5 59.120 -4.672 3.738 38 HD2 TYR 5 HD1 TYR 5 62.522 -6.103 1.541 39 HE1 TYR 5 HE2 TYR 5 58.111 -6.935 3.648 40 HE2 TYR 5 HE1 TYR 5 61.514 -8.365 1.450 41 HH TYR 5 HH TYR 5 58.789 -9.171 1.627 42 H TYR 6 HN TYR 6 59.892 -3.292 5.236 43 HA TYR 6 HA TYR 6 59.792 -0.404 5.219 44 1HB TYR 6 HB2 TYR 6 57.954 -2.275 5.379 45 2HB TYR 6 HB1 TYR 6 58.265 -2.153 7.106 46 HD1 TYR 6 HD2 TYR 6 59.094 0.999 6.128 47 HD2 TYR 6 HD1 TYR 6 55.606 -1.506 6.361 48 HE1 TYR 6 HE2 TYR 6 57.658 3.011 6.288 49 HE2 TYR 6 HE1 TYR 6 54.176 0.512 6.525 50 HH TYR 6 HH TYR 6 55.454 3.640 7.083 51 H GLU 7 HN GLU 7 60.870 -2.881 7.441 52 HA GLU 7 HA GLU 7 61.461 -0.900 9.536 53 1HB GLU 7 HB2 GLU 7 60.706 -3.507 9.556 54 2HB GLU 7 HB1 GLU 7 62.457 -3.698 9.667 55 1HG GLU 7 HG2 GLU 7 62.360 -1.934 11.539 56 2HG GLU 7 HG1 GLU 7 60.619 -2.223 11.556 57 H ILE 8 HN ILE 8 62.939 -2.237 6.760 58 HA ILE 8 HA ILE 8 65.696 -2.212 7.675 59 HB ILE 8 HB ILE 8 64.123 -3.061 5.477 60 1HG1 ILE 8 HG12 ILE 8 66.474 -4.054 4.845 61 2HG1 ILE 8 HG11 ILE 8 66.960 -3.367 6.396 62 1HG2 ILE 8 HG22 ILE 8 66.317 -1.140 4.683 63 2HG2 ILE 8 HG21 ILE 8 65.715 -2.396 3.602 64 3HG2 ILE 8 HG23 ILE 8 64.629 -1.129 4.171 65 1HD1 ILE 8 HD13 ILE 8 64.468 -5.042 6.196 66 2HD1 ILE 8 HD12 ILE 8 66.047 -5.812 6.344 67 3HD1 ILE 8 HD11 ILE 8 65.476 -4.722 7.607 68 H LEU 9 HN LEU 9 63.525 0.196 6.278 69 HA LEU 9 HA LEU 9 65.698 2.061 5.616 70 1HB LEU 9 HB2 LEU 9 62.724 2.556 5.878 71 2HB LEU 9 HB1 LEU 9 63.872 3.463 4.897 72 HG LEU 9 HG LEU 9 63.021 0.586 4.490 73 1HD1 LEU 9 HD13 LEU 9 62.615 3.106 2.853 74 2HD1 LEU 9 HD12 LEU 9 62.163 1.482 2.333 75 3HD1 LEU 9 HD11 LEU 9 61.365 2.216 3.724 76 1HD2 LEU 9 HD21 LEU 9 65.081 2.294 3.065 77 2HD2 LEU 9 HD23 LEU 9 65.370 0.787 3.936 78 3HD2 LEU 9 HD22 LEU 9 64.456 0.772 2.427 79 H GLY 10 HN GLY 10 64.782 1.013 8.515 80 1HA GLY 10 HA2 GLY 10 64.996 1.919 10.672 81 2HA GLY 10 HA1 GLY 10 65.648 3.379 9.924 82 H VAL 11 HN VAL 11 62.560 2.130 8.919 83 HA VAL 11 HA VAL 11 61.249 4.608 9.911 84 HB VAL 11 HB VAL 11 60.192 2.364 8.170 85 1HG1 VAL 11 HG12 VAL 11 59.317 5.132 8.892 86 2HG1 VAL 11 HG11 VAL 11 58.925 4.507 7.292 87 3HG1 VAL 11 HG13 VAL 11 58.359 3.660 8.729 88 1HG2 VAL 11 HG21 VAL 11 62.381 3.570 7.413 89 2HG2 VAL 11 HG23 VAL 11 61.053 3.415 6.264 90 3HG2 VAL 11 HG22 VAL 11 61.317 4.942 7.107 91 H SER 12 HN SER 12 58.844 4.165 10.581 92 HA SER 12 HA SER 12 58.840 2.364 12.866 93 1HB SER 12 HB2 SER 12 57.139 4.458 11.639 94 2HB SER 12 HB1 SER 12 56.300 3.259 12.620 95 HG SER 12 HG SER 12 58.625 4.642 13.474 96 H LYS 13 HN LYS 13 58.571 1.793 9.666 97 HA LYS 13 HA LYS 13 57.421 0.293 8.326 98 1HB LYS 13 HB2 LYS 13 58.082 -1.804 8.904 99 2HB LYS 13 HB1 LYS 13 58.986 -0.914 10.123 100 1HG LYS 13 HG2 LYS 13 56.875 -1.191 11.608 101 2HG LYS 13 HG1 LYS 13 56.383 -2.418 10.441 102 1HD LYS 13 HD2 LYS 13 58.763 -3.400 10.798 103 2HD LYS 13 HD1 LYS 13 58.789 -2.410 12.258 104 1HE LYS 13 HE2 LYS 13 57.500 -3.923 13.343 105 2HE LYS 13 HE1 LYS 13 56.264 -3.822 12.073 106 1HZ LYS 13 HZ3 LYS 13 58.043 -5.150 10.729 107 2HZ LYS 13 HZ2 LYS 13 58.581 -5.618 12.271 108 3HZ LYS 13 HZ1 LYS 13 56.991 -5.963 11.784 109 H THR 14 HN THR 14 55.814 1.984 10.189 110 HA THR 14 HA THR 14 53.235 0.601 9.746 111 HB THR 14 HB THR 14 52.595 1.272 12.109 112 HG1 THR 14 HG1 THR 14 54.262 2.816 12.362 113 1HG2 THR 14 HG23 THR 14 53.797 -0.991 11.228 114 2HG2 THR 14 HG22 THR 14 54.958 -0.485 12.455 115 3HG2 THR 14 HG21 THR 14 53.273 -0.763 12.897 116 H ALA 15 HN ALA 15 55.089 3.095 9.043 117 HA ALA 15 HA ALA 15 53.321 5.369 9.626 118 1HB ALA 15 HB3 ALA 15 55.980 5.081 9.507 119 2HB ALA 15 HB2 ALA 15 55.703 5.425 7.800 120 3HB ALA 15 HB1 ALA 15 55.215 6.596 9.025 121 H GLU 16 HN GLU 16 54.278 6.506 6.999 122 HA GLU 16 HA GLU 16 52.766 4.974 4.979 123 1HB GLU 16 HB2 GLU 16 52.057 7.751 5.998 124 2HB GLU 16 HB1 GLU 16 51.368 7.034 4.537 125 1HG GLU 16 HG2 GLU 16 50.479 5.158 5.873 126 2HG GLU 16 HG1 GLU 16 51.157 5.878 7.334 127 H GLU 17 HN GLU 17 52.778 7.943 3.774 128 HA GLU 17 HA GLU 17 55.403 7.613 2.458 129 1HB GLU 17 HB2 GLU 17 53.031 9.471 2.090 130 2HB GLU 17 HB1 GLU 17 54.473 9.519 1.076 131 1HG GLU 17 HG2 GLU 17 54.001 7.498 0.062 132 2HG GLU 17 HG1 GLU 17 53.129 6.879 1.464 133 H ARG 18 HN ARG 18 53.755 9.718 4.739 134 HA ARG 18 HA ARG 18 55.409 11.983 4.718 135 1HB ARG 18 HB2 ARG 18 54.255 12.516 6.664 136 2HB ARG 18 HB1 ARG 18 53.213 11.253 6.019 137 1HG ARG 18 HG2 ARG 18 55.446 10.658 7.981 138 2HG ARG 18 HG1 ARG 18 53.814 11.064 8.499 139 1HD ARG 18 HD2 ARG 18 53.881 8.986 6.411 140 2HD ARG 18 HD1 ARG 18 54.658 8.507 7.932 141 HE ARG 18 HE ARG 18 51.826 9.380 7.651 142 1HH1 ARG 18 HH11 ARG 18 52.988 10.329 10.235 143 2HH1 ARG 18 HH12 ARG 18 52.672 8.995 11.293 144 1HH2 ARG 18 HH21 ARG 18 52.046 6.757 8.722 145 2HH2 ARG 18 HH22 ARG 18 52.138 6.975 10.438 146 H GLU 19 HN GLU 19 56.119 8.802 6.122 147 HA GLU 19 HA GLU 19 58.605 9.988 7.275 148 1HB GLU 19 HB2 GLU 19 56.726 8.097 8.211 149 2HB GLU 19 HB1 GLU 19 58.219 7.205 7.889 150 1HG GLU 19 HG2 GLU 19 59.394 8.311 9.488 151 2HG GLU 19 HG1 GLU 19 58.575 9.840 9.172 152 H ILE 20 HN ILE 20 57.392 7.528 5.062 153 HA ILE 20 HA ILE 20 59.982 6.447 4.507 154 HB ILE 20 HB ILE 20 57.263 6.069 3.764 155 1HG1 ILE 20 HG12 ILE 20 58.068 3.887 3.158 156 2HG1 ILE 20 HG11 ILE 20 59.702 4.499 2.918 157 1HG2 ILE 20 HG22 ILE 20 59.125 6.484 1.410 158 2HG2 ILE 20 HG21 ILE 20 57.666 5.499 1.306 159 3HG2 ILE 20 HG23 ILE 20 57.545 7.219 1.677 160 1HD1 ILE 20 HD13 ILE 20 58.357 4.829 5.581 161 2HD1 ILE 20 HD12 ILE 20 59.105 3.287 5.163 162 3HD1 ILE 20 HD11 ILE 20 60.080 4.753 5.210 163 H ARG 21 HN ARG 21 58.473 9.435 3.770 164 HA ARG 21 HA ARG 21 60.118 9.927 1.378 165 1HB ARG 21 HB2 ARG 21 58.783 11.891 1.168 166 2HB ARG 21 HB1 ARG 21 57.684 10.688 1.841 167 1HG ARG 21 HG2 ARG 21 58.059 11.561 4.096 168 2HG ARG 21 HG1 ARG 21 59.235 12.720 3.473 169 1HD ARG 21 HD2 ARG 21 57.315 13.560 1.943 170 2HD ARG 21 HD1 ARG 21 56.243 12.681 3.051 171 HE ARG 21 HE ARG 21 57.923 14.096 4.741 172 1HH1 ARG 21 HH21 ARG 21 55.739 14.801 2.161 173 2HH1 ARG 21 HH22 ARG 21 55.427 16.418 2.695 174 1HH2 ARG 21 HH11 ARG 21 57.575 16.226 5.407 175 2HH2 ARG 21 HH12 ARG 21 56.465 17.224 4.530 176 H LYS 22 HN LYS 22 60.063 10.739 4.778 177 HA LYS 22 HA LYS 22 62.406 12.526 4.490 178 1HB LYS 22 HB2 LYS 22 60.561 13.218 5.955 179 2HB LYS 22 HB1 LYS 22 60.634 11.679 6.815 180 1HG LYS 22 HG2 LYS 22 63.208 12.479 7.079 181 2HG LYS 22 HG1 LYS 22 62.406 14.049 7.027 182 1HD LYS 22 HD2 LYS 22 62.600 13.154 9.348 183 2HD LYS 22 HD1 LYS 22 60.924 13.396 8.852 184 1HE LYS 22 HE2 LYS 22 60.463 11.184 9.056 185 2HE LYS 22 HE1 LYS 22 61.911 10.734 8.135 186 1HZ LYS 22 HZ2 LYS 22 63.241 11.307 10.119 187 2HZ LYS 22 HZ1 LYS 22 61.803 11.536 10.994 188 3HZ LYS 22 HZ3 LYS 22 62.189 10.000 10.389 189 H ALA 23 HN ALA 23 61.374 9.341 5.445 190 HA ALA 23 HA ALA 23 63.849 8.613 6.840 191 1HB ALA 23 HB2 ALA 23 61.514 7.636 7.148 192 2HB ALA 23 HB1 ALA 23 61.732 6.835 5.593 193 3HB ALA 23 HB3 ALA 23 62.796 6.443 6.944 194 H TYR 24 HN TYR 24 62.392 7.589 3.709 195 HA TYR 24 HA TYR 24 64.571 6.169 2.651 196 1HB TYR 24 HB2 TYR 24 62.484 6.235 1.479 197 2HB TYR 24 HB1 TYR 24 62.494 7.998 1.426 198 HD1 TYR 24 HD1 TYR 24 65.346 5.707 0.729 199 HD2 TYR 24 HD2 TYR 24 62.459 8.436 -0.907 200 HE1 TYR 24 HE1 TYR 24 66.536 5.666 -1.446 201 HE2 TYR 24 HE2 TYR 24 63.648 8.392 -3.081 202 HH TYR 24 HH TYR 24 66.759 6.822 -3.438 203 H LYS 25 HN LYS 25 63.889 9.668 2.468 204 HA LYS 25 HA LYS 25 66.347 10.340 1.090 205 1HB LYS 25 HB2 LYS 25 63.923 11.531 1.701 206 2HB LYS 25 HB1 LYS 25 65.055 12.411 2.728 207 1HG LYS 25 HG2 LYS 25 66.281 13.222 0.918 208 2HG LYS 25 HG1 LYS 25 65.767 11.912 -0.146 209 1HD LYS 25 HD2 LYS 25 64.567 13.829 -0.893 210 2HD LYS 25 HD1 LYS 25 63.405 12.891 0.046 211 1HE LYS 25 HE2 LYS 25 63.782 14.319 2.007 212 2HE LYS 25 HE1 LYS 25 65.012 15.239 1.118 213 1HZ LYS 25 HZ3 LYS 25 63.014 15.278 -0.630 214 2HZ LYS 25 HZ2 LYS 25 62.118 15.242 0.813 215 3HZ LYS 25 HZ1 LYS 25 63.239 16.488 0.537 216 H ARG 26 HN ARG 26 65.278 10.628 4.523 217 HA ARG 26 HA ARG 26 67.702 11.780 5.509 218 1HB ARG 26 HB2 ARG 26 65.708 11.712 6.852 219 2HB ARG 26 HB1 ARG 26 65.621 9.954 6.737 220 1HG ARG 26 HG2 ARG 26 66.897 9.765 8.578 221 2HG ARG 26 HG1 ARG 26 68.197 10.643 7.768 222 1HD ARG 26 HD2 ARG 26 66.836 12.783 8.376 223 2HD ARG 26 HD1 ARG 26 66.022 11.733 9.553 224 HE ARG 26 HE ARG 26 68.998 12.078 9.469 225 1HH1 ARG 26 HH21 ARG 26 68.920 10.034 11.211 226 2HH1 ARG 26 HH22 ARG 26 68.337 10.631 12.729 227 1HH2 ARG 26 HH11 ARG 26 66.997 13.527 11.377 228 2HH2 ARG 26 HH12 ARG 26 67.248 12.607 12.822 229 H LEU 27 HN LEU 27 66.840 8.389 4.888 230 HA LEU 27 HA LEU 27 69.426 7.469 5.994 231 1HB LEU 27 HB2 LEU 27 66.809 6.429 5.606 232 2HB LEU 27 HB1 LEU 27 67.907 5.437 4.645 233 HG LEU 27 HG LEU 27 67.627 4.668 7.044 234 1HD1 LEU 27 HD11 LEU 27 69.881 4.777 5.413 235 2HD1 LEU 27 HD13 LEU 27 70.467 5.367 6.969 236 3HD1 LEU 27 HD12 LEU 27 69.702 3.781 6.858 237 1HD2 LEU 27 HD21 LEU 27 67.993 7.386 7.572 238 2HD2 LEU 27 HD23 LEU 27 68.005 6.090 8.768 239 3HD2 LEU 27 HD22 LEU 27 69.521 6.650 8.059 240 H ALA 28 HN ALA 28 67.899 8.007 2.848 241 HA ALA 28 HA ALA 28 69.835 6.521 1.299 242 1HB ALA 28 HB3 ALA 28 68.008 8.851 0.677 243 2HB ALA 28 HB2 ALA 28 68.919 7.958 -0.541 244 3HB ALA 28 HB1 ALA 28 67.671 7.142 0.401 245 H MET 29 HN MET 29 69.741 9.688 2.761 246 HA MET 29 HA MET 29 71.547 11.233 1.349 247 1HB MET 29 HB2 MET 29 70.410 11.690 3.529 248 2HB MET 29 HB1 MET 29 71.604 10.653 4.310 249 1HG MET 29 HG2 MET 29 73.154 12.286 4.300 250 2HG MET 29 HG1 MET 29 72.883 12.606 2.588 251 1HE MET 29 HE3 MET 29 73.671 14.890 3.399 252 2HE MET 29 HE2 MET 29 72.666 16.102 4.192 253 3HE MET 29 HE1 MET 29 73.433 14.838 5.151 254 H LYS 30 HN LYS 30 72.263 8.685 3.677 255 HA LYS 30 HA LYS 30 75.053 8.626 3.710 256 1HB LYS 30 HB2 LYS 30 72.749 6.918 4.192 257 2HB LYS 30 HB1 LYS 30 74.119 5.979 3.590 258 1HG LYS 30 HG2 LYS 30 75.323 6.284 5.485 259 2HG LYS 30 HG1 LYS 30 74.865 7.983 5.607 260 1HD LYS 30 HD2 LYS 30 73.727 7.162 7.444 261 2HD LYS 30 HD1 LYS 30 72.492 6.916 6.209 262 1HE LYS 30 HE2 LYS 30 72.510 4.718 6.772 263 2HE LYS 30 HE1 LYS 30 74.141 4.630 6.074 264 1HZ LYS 30 HZ3 LYS 30 73.601 5.620 8.818 265 2HZ LYS 30 HZ2 LYS 30 73.995 4.000 8.482 266 3HZ LYS 30 HZ1 LYS 30 75.104 5.239 8.132 267 H TYR 31 HN TYR 31 72.852 7.899 1.142 268 HA TYR 31 HA TYR 31 75.156 6.920 -0.522 269 1HB TYR 31 HB2 TYR 31 72.290 5.944 -0.590 270 2HB TYR 31 HB1 TYR 31 73.671 5.241 -1.440 271 HD1 TYR 31 HD1 TYR 31 75.805 5.140 0.443 272 HD2 TYR 31 HD2 TYR 31 71.612 4.531 1.145 273 HE1 TYR 31 HE1 TYR 31 76.341 3.748 2.426 274 HE2 TYR 31 HE2 TYR 31 72.147 3.141 3.129 275 HH TYR 31 HH TYR 31 75.048 1.802 3.703 276 H HIS 32 HN HIS 32 72.540 9.125 -0.245 277 HA HIS 32 HA HIS 32 71.489 9.607 -2.730 278 1HB HIS 32 HB2 HIS 32 72.247 11.104 -0.360 279 2HB HIS 32 HB1 HIS 32 72.329 12.117 -1.805 280 HD1 HIS 32 HD1 HIS 32 69.883 9.273 -1.461 281 HD2 HIS 32 HD2 HIS 32 69.867 13.440 -1.334 282 HE1 HIS 32 HE1 HIS 32 67.451 9.979 -1.462 283 HA PRO 33 HA PRO 33 74.373 10.809 -5.804 284 1HB PRO 33 HB2 PRO 33 73.570 13.356 -6.508 285 2HB PRO 33 HB1 PRO 33 72.711 11.878 -6.985 286 1HG PRO 33 HG2 PRO 33 72.176 13.701 -4.672 287 2HG PRO 33 HG1 PRO 33 71.041 13.047 -5.873 288 1HD PRO 33 HD2 PRO 33 71.212 11.906 -3.503 289 2HD PRO 33 HD1 PRO 33 71.128 10.889 -4.961 290 H ASP 34 HN ASP 34 75.371 13.515 -6.330 291 HA ASP 34 HA ASP 34 77.064 14.992 -5.546 292 1HB ASP 34 HB2 ASP 34 75.331 14.687 -3.449 293 2HB ASP 34 HB1 ASP 34 76.802 14.013 -2.748 294 H ARG 35 HN ARG 35 77.124 12.178 -3.357 295 HA ARG 35 HA ARG 35 79.967 11.664 -3.937 296 1HB ARG 35 HB2 ARG 35 79.675 10.129 -2.091 297 2HB ARG 35 HB1 ARG 35 78.763 11.576 -1.671 298 1HG ARG 35 HG2 ARG 35 76.717 10.462 -2.662 299 2HG ARG 35 HG1 ARG 35 77.667 8.982 -2.808 300 1HD ARG 35 HD2 ARG 35 76.725 8.633 -0.708 301 2HD ARG 35 HD1 ARG 35 78.181 9.525 -0.221 302 HE ARG 35 HE ARG 35 75.764 11.114 -0.890 303 1HH1 ARG 35 HH21 ARG 35 76.877 9.303 1.699 304 2HH1 ARG 35 HH22 ARG 35 76.890 10.607 2.838 305 1HH2 ARG 35 HH11 ARG 35 76.250 13.047 0.459 306 2HH2 ARG 35 HH12 ARG 35 76.532 12.725 2.137 307 H ASN 36 HN ASN 36 76.750 10.489 -4.570 308 HA ASN 36 HA ASN 36 77.599 7.994 -5.890 309 1HB ASN 36 HB2 ASN 36 75.131 9.372 -4.934 310 2HB ASN 36 HB1 ASN 36 74.940 8.264 -6.291 311 1HD2 ASN 36 HD22 ASN 36 74.714 5.648 -3.952 312 2HD2 ASN 36 HD21 ASN 36 73.941 6.526 -5.181 313 H GLN 37 HN GLN 37 76.682 11.253 -6.733 314 HA GLN 37 HA GLN 37 76.663 12.323 -8.826 315 1HB GLN 37 HB2 GLN 37 77.516 9.672 -9.988 316 2HB GLN 37 HB1 GLN 37 77.844 11.278 -10.625 317 1HG GLN 37 HG2 GLN 37 78.847 10.600 -7.882 318 2HG GLN 37 HG1 GLN 37 79.708 9.968 -9.283 319 1HE2 GLN 37 HE22 GLN 37 81.434 13.093 -9.049 320 2HE2 GLN 37 HE21 GLN 37 81.518 11.452 -8.623 321 H GLY 38 HN GLY 38 74.289 11.890 -8.050 322 1HA GLY 38 HA2 GLY 38 72.104 11.650 -8.905 323 2HA GLY 38 HA1 GLY 38 72.805 11.060 -10.415 324 H ASP 39 HN ASP 39 74.238 8.876 -9.691 325 HA ASP 39 HA ASP 39 72.573 7.160 -7.939 326 1HB ASP 39 HB2 ASP 39 72.898 6.752 -10.920 327 2HB ASP 39 HB1 ASP 39 72.174 5.573 -9.825 328 H LYS 40 HN LYS 40 74.145 5.331 -10.285 329 HA LYS 40 HA LYS 40 76.118 4.073 -10.266 330 1HB LYS 40 HB2 LYS 40 76.720 6.699 -9.142 331 2HB LYS 40 HB1 LYS 40 77.881 5.453 -8.697 332 1HG LYS 40 HG2 LYS 40 78.578 5.152 -10.855 333 2HG LYS 40 HG1 LYS 40 76.989 5.517 -11.524 334 1HD LYS 40 HD2 LYS 40 77.932 7.881 -10.255 335 2HD LYS 40 HD1 LYS 40 79.244 7.267 -11.263 336 1HE LYS 40 HE2 LYS 40 77.475 6.996 -13.119 337 2HE LYS 40 HE1 LYS 40 76.441 8.027 -12.111 338 1HZ LYS 40 HZ3 LYS 40 79.241 8.773 -12.672 339 2HZ LYS 40 HZ2 LYS 40 78.006 9.167 -13.770 340 3HZ LYS 40 HZ1 LYS 40 77.956 9.766 -12.182 341 H GLU 41 HN GLU 41 76.234 5.533 -7.041 342 HA GLU 41 HA GLU 41 76.582 2.855 -5.832 343 1HB GLU 41 HB2 GLU 41 77.110 5.656 -5.211 344 2HB GLU 41 HB1 GLU 41 76.387 4.816 -3.839 345 1HG GLU 41 HG2 GLU 41 78.280 3.655 -3.448 346 2HG GLU 41 HG1 GLU 41 78.413 3.181 -5.143 347 H ALA 42 HN ALA 42 74.057 5.065 -6.511 348 HA ALA 42 HA ALA 42 72.276 4.110 -4.357 349 1HB ALA 42 HB3 ALA 42 72.445 6.276 -6.318 350 2HB ALA 42 HB2 ALA 42 70.826 5.585 -6.237 351 3HB ALA 42 HB1 ALA 42 71.582 6.233 -4.782 352 H GLU 43 HN GLU 43 73.154 3.318 -7.597 353 HA GLU 43 HA GLU 43 70.820 2.192 -8.689 354 1HB GLU 43 HB2 GLU 43 73.098 2.472 -9.722 355 2HB GLU 43 HB1 GLU 43 73.645 1.086 -8.777 356 1HG GLU 43 HG2 GLU 43 71.650 -0.176 -9.834 357 2HG GLU 43 HG1 GLU 43 71.604 1.151 -10.996 358 H ALA 44 HN ALA 44 73.214 0.658 -6.498 359 HA ALA 44 HA ALA 44 71.495 -1.745 -6.231 360 1HB ALA 44 HB2 ALA 44 74.171 -1.345 -6.247 361 2HB ALA 44 HB1 ALA 44 73.886 -1.239 -4.510 362 3HB ALA 44 HB3 ALA 44 73.428 -2.697 -5.391 363 H LYS 45 HN LYS 45 71.957 1.300 -4.640 364 HA LYS 45 HA LYS 45 70.883 0.287 -2.084 365 1HB LYS 45 HB2 LYS 45 72.435 2.501 -2.966 366 2HB LYS 45 HB1 LYS 45 70.948 3.148 -2.254 367 1HG LYS 45 HG2 LYS 45 71.657 2.617 -0.191 368 2HG LYS 45 HG1 LYS 45 71.888 0.935 -0.675 369 1HD LYS 45 HD2 LYS 45 73.921 2.748 -1.761 370 2HD LYS 45 HD1 LYS 45 73.922 2.666 0.001 371 1HE LYS 45 HE2 LYS 45 74.037 0.193 -0.109 372 2HE LYS 45 HE1 LYS 45 74.053 0.282 -1.881 373 1HZ LYS 45 HZ2 LYS 45 75.939 2.079 -1.197 374 2HZ LYS 45 HZ1 LYS 45 76.157 0.897 0.005 375 3HZ LYS 45 HZ3 LYS 45 76.264 0.469 -1.633 376 H PHE 46 HN PHE 46 69.788 1.805 -5.027 377 HA PHE 46 HA PHE 46 67.242 2.763 -4.020 378 1HB PHE 46 HB2 PHE 46 68.530 2.120 -6.663 379 2HB PHE 46 HB1 PHE 46 66.777 2.289 -6.631 380 HD1 PHE 46 HD2 PHE 46 68.592 4.179 -4.128 381 HD2 PHE 46 HD1 PHE 46 67.122 4.282 -8.163 382 HE1 PHE 46 HE2 PHE 46 68.827 6.647 -4.152 383 HE2 PHE 46 HE1 PHE 46 67.358 6.751 -8.186 384 HZ PHE 46 HZ PHE 46 68.211 7.933 -6.181 385 H LYS 47 HN LYS 47 68.546 -0.286 -5.148 386 HA LYS 47 HA LYS 47 66.006 -1.644 -5.166 387 1HB LYS 47 HB2 LYS 47 67.384 -3.548 -5.772 388 2HB LYS 47 HB1 LYS 47 68.126 -2.157 -6.551 389 1HG LYS 47 HG2 LYS 47 69.991 -2.318 -5.315 390 2HG LYS 47 HG1 LYS 47 69.109 -2.676 -3.830 391 1HD LYS 47 HD2 LYS 47 69.872 -4.788 -4.113 392 2HD LYS 47 HD1 LYS 47 68.616 -4.909 -5.346 393 1HE LYS 47 HE2 LYS 47 70.195 -4.253 -7.089 394 2HE LYS 47 HE1 LYS 47 71.466 -3.998 -5.876 395 1HZ LYS 47 HZ2 LYS 47 70.608 -6.444 -5.229 396 2HZ LYS 47 HZ1 LYS 47 70.379 -6.482 -6.912 397 3HZ LYS 47 HZ3 LYS 47 71.915 -6.157 -6.274 398 H GLU 48 HN GLU 48 68.130 -0.477 -2.841 399 HA GLU 48 HA GLU 48 67.515 -2.558 -0.882 400 1HB GLU 48 HB2 GLU 48 69.258 -0.103 -0.945 401 2HB GLU 48 HB1 GLU 48 68.968 -0.977 0.558 402 1HG GLU 48 HG2 GLU 48 69.639 -2.815 -1.581 403 2HG GLU 48 HG1 GLU 48 70.895 -1.590 -1.394 404 H ILE 49 HN ILE 49 66.848 0.856 -1.530 405 HA ILE 49 HA ILE 49 64.731 0.727 0.585 406 HB ILE 49 HB ILE 49 66.071 3.102 -0.720 407 1HG1 ILE 49 HG12 ILE 49 66.880 3.039 1.916 408 2HG1 ILE 49 HG11 ILE 49 66.940 1.335 1.445 409 1HG2 ILE 49 HG22 ILE 49 63.889 2.706 1.196 410 2HG2 ILE 49 HG21 ILE 49 65.096 3.886 1.705 411 3HG2 ILE 49 HG23 ILE 49 64.258 4.090 0.169 412 1HD1 ILE 49 HD11 ILE 49 67.917 2.916 -0.724 413 2HD1 ILE 49 HD13 ILE 49 68.764 3.397 0.745 414 3HD1 ILE 49 HD12 ILE 49 68.780 1.709 0.229 415 H LYS 50 HN LYS 50 65.551 1.830 -2.707 416 HA LYS 50 HA LYS 50 62.888 2.818 -3.164 417 1HB LYS 50 HB2 LYS 50 65.370 3.001 -4.374 418 2HB LYS 50 HB1 LYS 50 64.491 1.975 -5.506 419 1HG LYS 50 HG2 LYS 50 62.847 3.610 -5.906 420 2HG LYS 50 HG1 LYS 50 63.241 4.495 -4.430 421 1HD LYS 50 HD2 LYS 50 65.456 5.080 -5.406 422 2HD LYS 50 HD1 LYS 50 64.985 4.273 -6.903 423 1HE LYS 50 HE2 LYS 50 63.151 6.368 -5.780 424 2HE LYS 50 HE1 LYS 50 64.612 6.884 -6.644 425 1HZ LYS 50 HZ2 LYS 50 63.987 5.278 -8.418 426 2HZ LYS 50 HZ1 LYS 50 62.499 5.047 -7.632 427 3HZ LYS 50 HZ3 LYS 50 62.899 6.573 -8.254 428 H GLU 51 HN GLU 51 64.411 -0.321 -3.234 429 HA GLU 51 HA GLU 51 62.241 -1.488 -4.907 430 1HB GLU 51 HB2 GLU 51 64.203 -2.588 -5.373 431 2HB GLU 51 HB1 GLU 51 64.896 -2.111 -3.841 432 1HG GLU 51 HG2 GLU 51 64.666 -4.524 -3.876 433 2HG GLU 51 HG1 GLU 51 63.547 -3.846 -2.694 434 H ALA 52 HN ALA 52 63.276 -1.057 -1.613 435 HA ALA 52 HA ALA 52 61.267 -2.882 -0.441 436 1HB ALA 52 HB3 ALA 52 63.502 -1.074 0.474 437 2HB ALA 52 HB2 ALA 52 62.349 -1.703 1.650 438 3HB ALA 52 HB1 ALA 52 63.334 -2.815 0.699 439 H TYR 53 HN TYR 53 62.078 0.580 -0.242 440 HA TYR 53 HA TYR 53 59.557 1.336 0.979 441 1HB TYR 53 HB2 TYR 53 60.901 3.055 1.533 442 2HB TYR 53 HB1 TYR 53 62.176 2.311 0.595 443 HD1 TYR 53 HD2 TYR 53 59.171 4.533 0.144 444 HD2 TYR 53 HD1 TYR 53 63.128 3.506 -1.137 445 HE1 TYR 53 HE2 TYR 53 59.208 6.489 -1.378 446 HE2 TYR 53 HE1 TYR 53 63.177 5.446 -2.645 447 HH TYR 53 HH TYR 53 62.044 7.191 -3.425 448 H GLU 54 HN GLU 54 60.113 0.299 -2.077 449 HA GLU 54 HA GLU 54 58.719 2.312 -3.648 450 1HB GLU 54 HB2 GLU 54 59.832 1.017 -5.143 451 2HB GLU 54 HB1 GLU 54 60.047 -0.265 -3.957 452 1HG GLU 54 HG2 GLU 54 57.947 -1.262 -4.506 453 2HG GLU 54 HG1 GLU 54 57.432 0.155 -5.422 454 H VAL 55 HN VAL 55 57.777 -0.423 -1.652 455 HA VAL 55 HA VAL 55 54.989 -0.204 -2.671 456 HB VAL 55 HB VAL 55 55.030 -2.440 -2.469 457 1HG1 VAL 55 HG12 VAL 55 57.574 -2.074 -2.611 458 2HG1 VAL 55 HG11 VAL 55 57.573 -2.499 -0.898 459 3HG1 VAL 55 HG13 VAL 55 56.975 -3.646 -2.096 460 1HG2 VAL 55 HG21 VAL 55 54.233 -1.812 -0.060 461 2HG2 VAL 55 HG23 VAL 55 54.695 -3.472 -0.401 462 3HG2 VAL 55 HG22 VAL 55 55.821 -2.401 0.428 463 H LEU 56 HN LEU 56 56.938 0.868 -0.151 464 HA LEU 56 HA LEU 56 55.124 0.941 2.061 465 1HB LEU 56 HB2 LEU 56 57.631 2.120 1.094 466 2HB LEU 56 HB1 LEU 56 56.740 3.183 2.182 467 HG LEU 56 HG LEU 56 56.885 1.683 3.980 468 1HD1 LEU 56 HD12 LEU 56 56.941 -0.345 1.818 469 2HD1 LEU 56 HD11 LEU 56 57.887 -0.745 3.253 470 3HD1 LEU 56 HD13 LEU 56 56.162 -0.407 3.400 471 1HD2 LEU 56 HD22 LEU 56 59.196 2.425 2.734 472 2HD2 LEU 56 HD21 LEU 56 59.146 1.577 4.279 473 3HD2 LEU 56 HD23 LEU 56 59.398 0.674 2.785 474 H THR 57 HN THR 57 55.024 2.502 -0.970 475 HA THR 57 HA THR 57 53.405 4.794 0.049 476 HB THR 57 HB THR 57 54.500 5.912 -1.599 477 HG1 THR 57 HG1 THR 57 54.155 5.002 -3.830 478 1HG2 THR 57 HG22 THR 57 56.282 4.144 -1.284 479 2HG2 THR 57 HG21 THR 57 55.580 3.285 -2.655 480 3HG2 THR 57 HG23 THR 57 56.272 4.892 -2.881 481 H ASP 58 HN ASP 58 53.276 1.912 -1.962 482 HA ASP 58 HA ASP 58 50.474 2.444 -2.761 483 1HB ASP 58 HB2 ASP 58 52.413 1.530 -4.206 484 2HB ASP 58 HB1 ASP 58 52.180 0.010 -3.331 485 H SER 59 HN SER 59 48.925 0.530 -2.496 486 HA SER 59 HA SER 59 49.298 -0.693 0.219 487 1HB SER 59 HB2 SER 59 46.658 -0.858 -0.225 488 2HB SER 59 HB1 SER 59 47.399 0.614 0.394 489 HG SER 59 HG SER 59 46.006 0.905 -1.464 490 H GLN 60 HN GLN 60 48.496 -1.301 -3.154 491 HA GLN 60 HA GLN 60 47.562 -4.007 -2.906 492 1HB GLN 60 HB2 GLN 60 48.076 -4.039 -5.327 493 2HB GLN 60 HB1 GLN 60 47.297 -2.520 -4.877 494 1HG GLN 60 HG2 GLN 60 49.800 -1.735 -4.485 495 2HG GLN 60 HG1 GLN 60 50.153 -3.035 -5.623 496 1HE2 GLN 60 HE22 GLN 60 48.136 0.295 -6.923 497 2HE2 GLN 60 HE21 GLN 60 48.271 -0.009 -5.258 498 H LYS 61 HN LYS 61 50.794 -2.579 -3.167 499 HA LYS 61 HA LYS 61 52.150 -5.139 -3.499 500 1HB LYS 61 HB2 LYS 61 53.212 -2.430 -2.659 501 2HB LYS 61 HB1 LYS 61 54.112 -3.727 -3.444 502 1HG LYS 61 HG2 LYS 61 52.971 -3.408 -5.506 503 2HG LYS 61 HG1 LYS 61 51.725 -2.412 -4.753 504 1HD LYS 61 HD2 LYS 61 52.970 -0.540 -4.976 505 2HD LYS 61 HD1 LYS 61 54.386 -1.323 -4.272 506 1HE LYS 61 HE2 LYS 61 54.966 -2.320 -6.424 507 2HE LYS 61 HE1 LYS 61 53.482 -1.679 -7.153 508 1HZ LYS 61 HZ1 LYS 61 54.805 0.399 -5.793 509 2HZ LYS 61 HZ3 LYS 61 55.923 -0.359 -6.817 510 3HZ LYS 61 HZ2 LYS 61 54.480 0.266 -7.455 511 H ARG 62 HN ARG 62 51.418 -2.857 -0.879 512 HA ARG 62 HA ARG 62 53.015 -3.799 1.201 513 1HB ARG 62 HB2 ARG 62 50.104 -2.951 1.155 514 2HB ARG 62 HB1 ARG 62 51.051 -3.109 2.635 515 1HG ARG 62 HG2 ARG 62 51.906 -1.371 0.310 516 2HG ARG 62 HG1 ARG 62 50.960 -0.762 1.669 517 1HD ARG 62 HD2 ARG 62 53.447 -2.308 2.300 518 2HD ARG 62 HD1 ARG 62 53.626 -0.644 1.709 519 HE ARG 62 HE ARG 62 52.350 0.136 3.615 520 1HH1 ARG 62 HH21 ARG 62 50.366 -1.856 4.165 521 2HH1 ARG 62 HH22 ARG 62 50.997 -2.741 5.513 522 1HH2 ARG 62 HH11 ARG 62 54.247 -1.619 5.070 523 2HH2 ARG 62 HH12 ARG 62 53.193 -2.606 6.027 524 H ALA 63 HN ALA 63 50.371 -5.374 -0.428 525 HA ALA 63 HA ALA 63 50.106 -7.513 1.594 526 1HB ALA 63 HB3 ALA 63 48.843 -6.707 -1.020 527 2HB ALA 63 HB2 ALA 63 48.584 -8.339 -0.402 528 3HB ALA 63 HB1 ALA 63 48.076 -6.945 0.550 529 H ALA 64 HN ALA 64 51.644 -6.871 -1.486 530 HA ALA 64 HA ALA 64 52.468 -9.674 -1.927 531 1HB ALA 64 HB1 ALA 64 51.815 -7.841 -3.651 532 2HB ALA 64 HB3 ALA 64 53.417 -7.174 -3.339 533 3HB ALA 64 HB2 ALA 64 53.254 -8.801 -4.000 534 H TYR 65 HN TYR 65 54.055 -6.537 -1.475 535 HA TYR 65 HA TYR 65 56.719 -7.417 -1.166 536 1HB TYR 65 HB2 TYR 65 56.906 -5.186 -1.122 537 2HB TYR 65 HB1 TYR 65 55.154 -5.071 -1.104 538 HD1 TYR 65 HD2 TYR 65 54.060 -5.381 1.283 539 HD2 TYR 65 HD1 TYR 65 58.143 -4.234 0.622 540 HE1 TYR 65 HE2 TYR 65 54.153 -4.419 3.562 541 HE2 TYR 65 HE1 TYR 65 58.237 -3.265 2.905 542 HH TYR 65 HH TYR 65 55.415 -3.433 5.086 543 H ASP 66 HN ASP 66 54.108 -7.241 1.228 544 HA ASP 66 HA ASP 66 55.853 -7.471 3.483 545 1HB ASP 66 HB2 ASP 66 53.790 -7.773 4.710 546 2HB ASP 66 HB1 ASP 66 53.459 -6.643 3.397 547 H GLN 67 HN GLN 67 54.658 -9.809 1.210 548 HA GLN 67 HA GLN 67 55.605 -12.027 2.999 549 1HB GLN 67 HB2 GLN 67 53.389 -11.796 0.957 550 2HB GLN 67 HB1 GLN 67 53.967 -13.363 1.525 551 1HG GLN 67 HG2 GLN 67 53.602 -11.778 3.838 552 2HG GLN 67 HG1 GLN 67 52.173 -11.523 2.835 553 1HE2 GLN 67 HE22 GLN 67 52.109 -14.766 4.971 554 2HE2 GLN 67 HE21 GLN 67 52.770 -13.257 5.377 555 H TYR 68 HN TYR 68 55.914 -10.474 -0.111 556 HA TYR 68 HA TYR 68 57.387 -12.767 -1.276 557 1HB TYR 68 HB2 TYR 68 56.432 -10.059 -2.210 558 2HB TYR 68 HB1 TYR 68 57.533 -11.028 -3.196 559 HD1 TYR 68 HD1 TYR 68 56.581 -13.777 -2.597 560 HD2 TYR 68 HD2 TYR 68 54.380 -10.168 -3.365 561 HE1 TYR 68 HE1 TYR 68 54.663 -15.120 -3.410 562 HE2 TYR 68 HE2 TYR 68 52.462 -11.513 -4.181 563 HH TYR 68 HH TYR 68 51.604 -13.574 -4.344 564 H GLY 69 HN GLY 69 59.614 -12.677 -1.780 565 1HA GLY 69 HA2 GLY 69 61.123 -10.467 -0.441 566 2HA GLY 69 HA1 GLY 69 61.735 -12.116 -0.605 567 H HIS 70 HN HIS 70 62.491 -9.265 -1.721 568 HA HIS 70 HA HIS 70 63.516 -8.476 -3.694 569 1HB HIS 70 HB2 HIS 70 63.682 -11.486 -3.939 570 2HB HIS 70 HB1 HIS 70 64.434 -10.408 -5.119 571 HD1 HIS 70 HD1 HIS 70 64.607 -8.684 -2.012 572 HD2 HIS 70 HD2 HIS 70 66.785 -11.817 -3.693 573 HE1 HIS 70 HE1 HIS 70 66.801 -8.790 -0.749 574 H ALA 71 HN ALA 71 60.928 -8.047 -3.917 575 HA ALA 71 HA ALA 71 59.048 -8.012 -5.365 576 1HB ALA 71 HB1 ALA 71 61.570 -7.520 -6.693 577 2HB ALA 71 HB3 ALA 71 60.430 -8.252 -7.823 578 3HB ALA 71 HB2 ALA 71 60.005 -6.760 -6.985 579 H ALA 72 HN ALA 72 60.128 -10.708 -4.497 580 HA ALA 72 HA ALA 72 60.280 -12.774 -6.255 581 1HB ALA 72 HB1 ALA 72 60.001 -12.896 -3.777 582 2HB ALA 72 HB3 ALA 72 58.273 -12.607 -3.985 583 3HB ALA 72 HB2 ALA 72 59.003 -14.080 -4.621 584 H PHE 73 HN PHE 73 57.208 -11.067 -5.550 585 HA PHE 73 HA PHE 73 56.104 -12.271 -8.068 586 1HB PHE 73 HB2 PHE 73 55.285 -12.534 -5.343 587 2HB PHE 73 HB1 PHE 73 54.046 -11.604 -6.189 588 HD1 PHE 73 HD1 PHE 73 56.297 -14.508 -6.992 589 HD2 PHE 73 HD2 PHE 73 52.322 -12.881 -7.077 590 HE1 PHE 73 HE1 PHE 73 55.471 -16.582 -8.072 591 HE2 PHE 73 HE2 PHE 73 51.497 -14.956 -8.157 592 HZ PHE 73 HZ PHE 73 53.071 -16.806 -8.654 593 H GLU 74 HN GLU 74 55.167 -10.798 -9.461 594 HA GLU 74 HA GLU 74 54.022 -8.273 -8.640 595 1HB GLU 74 HB2 GLU 74 55.919 -6.930 -9.760 596 2HB GLU 74 HB1 GLU 74 56.275 -7.627 -8.179 597 1HG GLU 74 HG2 GLU 74 57.455 -9.479 -9.179 598 2HG GLU 74 HG1 GLU 74 56.938 -8.999 -10.796 599 H GLN 75 HN GLN 75 52.422 -8.238 -10.191 600 HA GLN 75 HA GLN 75 53.215 -8.823 -13.028 601 1HB GLN 75 HB2 GLN 75 51.012 -9.816 -13.270 602 2HB GLN 75 HB1 GLN 75 51.769 -10.506 -11.833 603 1HG GLN 75 HG2 GLN 75 50.359 -8.073 -11.150 604 2HG GLN 75 HG1 GLN 75 49.276 -9.196 -11.971 605 1HE2 GLN 75 HE22 GLN 75 50.217 -9.907 -8.157 606 2HE2 GLN 75 HE21 GLN 75 50.473 -8.418 -8.931 607 H GLY 76 HN GLY 76 53.157 -6.184 -11.611 608 1HA GLY 76 HA2 GLY 76 51.281 -4.836 -13.485 609 2HA GLY 76 HA1 GLY 76 51.202 -4.420 -11.772 610 H GLY 77 HN GLY 77 53.947 -4.471 -11.146 611 1HA GLY 77 HA2 GLY 77 55.110 -2.424 -12.981 612 2HA GLY 77 HA1 GLY 77 55.052 -2.122 -11.243 No H/Q in entry = 612 Start of MODEL 16 1 1H ALA 1 HT2 ALA 1 71.251 -12.143 7.560 2 2H ALA 1 HT1 ALA 1 72.634 -11.398 8.209 3 3H ALA 1 HT3 ALA 1 71.523 -12.160 9.238 4 HA ALA 1 HA ALA 1 70.927 -9.961 9.515 5 1HB ALA 1 HB3 ALA 1 72.626 -9.275 7.835 6 2HB ALA 1 HB2 ALA 1 71.499 -9.700 6.545 7 3HB ALA 1 HB1 ALA 1 71.123 -8.372 7.643 8 H LYS 2 HN LYS 2 68.980 -11.494 9.748 9 HA LYS 2 HA LYS 2 67.098 -11.584 7.489 10 1HB LYS 2 HB2 LYS 2 67.493 -12.772 10.140 11 2HB LYS 2 HB1 LYS 2 65.802 -12.394 9.812 12 1HG LYS 2 HG2 LYS 2 65.851 -13.673 7.753 13 2HG LYS 2 HG1 LYS 2 67.590 -13.929 7.905 14 1HD LYS 2 HD2 LYS 2 66.245 -14.769 10.322 15 2HD LYS 2 HD1 LYS 2 65.538 -15.574 8.921 16 1HE LYS 2 HE2 LYS 2 68.532 -15.409 9.119 17 2HE LYS 2 HE1 LYS 2 67.668 -16.624 10.082 18 1HZ LYS 2 HZ1 LYS 2 66.774 -16.296 7.335 19 2HZ LYS 2 HZ3 LYS 2 68.309 -16.995 7.524 20 3HZ LYS 2 HZ2 LYS 2 66.954 -17.713 8.256 21 H GLN 3 HN GLN 3 66.346 -9.490 7.045 22 HA GLN 3 HA GLN 3 64.555 -8.277 9.061 23 1HB GLN 3 HB2 GLN 3 67.265 -7.339 8.369 24 2HB GLN 3 HB1 GLN 3 66.027 -6.085 8.278 25 1HG GLN 3 HG2 GLN 3 65.456 -6.305 10.543 26 2HG GLN 3 HG1 GLN 3 66.162 -7.917 10.664 27 1HE2 GLN 3 HE22 GLN 3 69.550 -6.627 10.884 28 2HE2 GLN 3 HE21 GLN 3 68.676 -7.910 10.198 29 H ASP 4 HN ASP 4 62.792 -7.620 7.987 30 HA ASP 4 HA ASP 4 62.361 -7.755 5.219 31 1HB ASP 4 HB2 ASP 4 60.831 -7.449 7.314 32 2HB ASP 4 HB1 ASP 4 61.049 -5.725 7.016 33 H TYR 5 HN TYR 5 61.474 -5.405 4.189 34 HA TYR 5 HA TYR 5 63.954 -3.747 4.088 35 1HB TYR 5 HB2 TYR 5 62.052 -3.116 2.023 36 2HB TYR 5 HB1 TYR 5 63.665 -3.805 1.863 37 HD1 TYR 5 HD2 TYR 5 63.947 -6.317 2.029 38 HD2 TYR 5 HD1 TYR 5 60.098 -4.432 1.751 39 HE1 TYR 5 HE2 TYR 5 62.941 -8.474 1.334 40 HE2 TYR 5 HE1 TYR 5 59.092 -6.588 1.052 41 HH TYR 5 HH TYR 5 60.427 -8.924 -0.193 42 H TYR 6 HN TYR 6 61.700 -3.505 6.113 43 HA TYR 6 HA TYR 6 60.490 -0.897 5.433 44 1HB TYR 6 HB2 TYR 6 58.933 -1.609 6.921 45 2HB TYR 6 HB1 TYR 6 59.802 -3.137 6.957 46 HD1 TYR 6 HD2 TYR 6 60.089 0.309 8.460 47 HD2 TYR 6 HD1 TYR 6 60.443 -3.932 9.026 48 HE1 TYR 6 HE2 TYR 6 60.652 0.663 10.844 49 HE2 TYR 6 HE1 TYR 6 60.991 -3.568 11.412 50 HH TYR 6 HH TYR 6 61.125 -0.284 12.789 51 H GLU 7 HN GLU 7 62.588 -2.237 7.977 52 HA GLU 7 HA GLU 7 63.332 0.308 9.072 53 1HB GLU 7 HB2 GLU 7 63.782 -2.478 9.478 54 2HB GLU 7 HB1 GLU 7 65.365 -1.707 9.373 55 1HG GLU 7 HG2 GLU 7 64.164 0.084 10.965 56 2HG GLU 7 HG1 GLU 7 63.205 -1.332 11.400 57 H ILE 8 HN ILE 8 64.441 -1.616 6.373 58 HA ILE 8 HA ILE 8 67.026 -0.793 5.877 59 HB ILE 8 HB ILE 8 64.600 -1.479 4.305 60 1HG1 ILE 8 HG12 ILE 8 66.324 -3.019 3.243 61 2HG1 ILE 8 HG11 ILE 8 67.499 -2.357 4.380 62 1HG2 ILE 8 HG21 ILE 8 66.743 0.275 3.233 63 2HG2 ILE 8 HG23 ILE 8 66.278 -1.095 2.226 64 3HG2 ILE 8 HG22 ILE 8 65.068 0.092 2.710 65 1HD1 ILE 8 HD12 ILE 8 64.948 -3.234 5.591 66 2HD1 ILE 8 HD11 ILE 8 65.934 -4.528 4.908 67 3HD1 ILE 8 HD13 ILE 8 66.603 -3.472 6.152 68 H LEU 9 HN LEU 9 64.085 1.162 5.746 69 HA LEU 9 HA LEU 9 65.721 3.499 4.803 70 1HB LEU 9 HB2 LEU 9 62.712 3.212 5.002 71 2HB LEU 9 HB1 LEU 9 63.614 4.410 4.076 72 HG LEU 9 HG LEU 9 64.417 1.716 3.354 73 1HD1 LEU 9 HD12 LEU 9 61.502 2.372 3.493 74 2HD1 LEU 9 HD11 LEU 9 62.089 1.483 2.089 75 3HD1 LEU 9 HD13 LEU 9 62.313 0.819 3.705 76 1HD2 LEU 9 HD22 LEU 9 63.122 4.012 1.854 77 2HD2 LEU 9 HD21 LEU 9 64.854 3.715 2.005 78 3HD2 LEU 9 HD23 LEU 9 63.842 2.592 1.098 79 H GLY 10 HN GLY 10 65.650 2.421 7.628 80 1HA GLY 10 HA2 GLY 10 65.266 3.210 9.825 81 2HA GLY 10 HA1 GLY 10 65.666 4.778 9.114 82 H VAL 11 HN VAL 11 62.927 2.489 9.242 83 HA VAL 11 HA VAL 11 61.096 4.835 9.624 84 HB VAL 11 HB VAL 11 60.466 2.414 7.920 85 1HG1 VAL 11 HG13 VAL 11 59.002 4.644 8.743 86 2HG1 VAL 11 HG12 VAL 11 59.460 5.003 7.078 87 3HG1 VAL 11 HG11 VAL 11 58.573 3.524 7.450 88 1HG2 VAL 11 HG22 VAL 11 62.011 4.900 7.175 89 2HG2 VAL 11 HG21 VAL 11 62.432 3.215 6.865 90 3HG2 VAL 11 HG23 VAL 11 61.112 3.972 5.974 91 H SER 12 HN SER 12 58.860 2.803 9.439 92 HA SER 12 HA SER 12 59.296 1.248 11.945 93 1HB SER 12 HB2 SER 12 58.164 3.472 12.319 94 2HB SER 12 HB1 SER 12 56.866 2.929 11.258 95 HG SER 12 HG SER 12 57.747 1.577 13.598 96 H LYS 13 HN LYS 13 58.356 1.267 8.716 97 HA LYS 13 HA LYS 13 57.466 -0.463 7.386 98 1HB LYS 13 HB2 LYS 13 57.844 -2.489 8.297 99 2HB LYS 13 HB1 LYS 13 58.281 -1.647 9.780 100 1HG LYS 13 HG2 LYS 13 55.859 -1.723 10.465 101 2HG LYS 13 HG1 LYS 13 55.540 -2.723 9.048 102 1HD LYS 13 HD2 LYS 13 56.242 -4.552 10.150 103 2HD LYS 13 HD1 LYS 13 57.805 -3.790 10.454 104 1HE LYS 13 HE2 LYS 13 57.170 -3.003 12.547 105 2HE LYS 13 HE1 LYS 13 55.449 -2.956 12.119 106 1HZ LYS 13 HZ2 LYS 13 57.060 -5.442 12.360 107 2HZ LYS 13 HZ1 LYS 13 56.010 -4.858 13.562 108 3HZ LYS 13 HZ3 LYS 13 55.390 -5.342 12.059 109 H THR 14 HN THR 14 55.652 0.228 10.397 110 HA THR 14 HA THR 14 53.081 -0.137 8.996 111 HB THR 14 HB THR 14 52.172 0.108 11.199 112 HG1 THR 14 HG1 THR 14 53.426 1.005 12.871 113 1HG2 THR 14 HG22 THR 14 53.890 -1.837 10.697 114 2HG2 THR 14 HG21 THR 14 54.850 -1.016 11.927 115 3HG2 THR 14 HG23 THR 14 53.240 -1.618 12.322 116 H ALA 15 HN ALA 15 55.393 2.233 9.085 117 HA ALA 15 HA ALA 15 53.964 4.655 9.588 118 1HB ALA 15 HB1 ALA 15 56.529 3.807 8.810 119 2HB ALA 15 HB3 ALA 15 55.962 4.803 7.468 120 3HB ALA 15 HB2 ALA 15 56.027 5.472 9.099 121 H GLU 16 HN GLU 16 54.535 5.990 7.133 122 HA GLU 16 HA GLU 16 52.866 4.710 5.061 123 1HB GLU 16 HB2 GLU 16 52.199 7.302 6.509 124 2HB GLU 16 HB1 GLU 16 51.379 6.745 5.046 125 1HG GLU 16 HG2 GLU 16 51.487 5.270 7.694 126 2HG GLU 16 HG1 GLU 16 50.084 6.107 7.028 127 H GLU 17 HN GLU 17 52.690 7.781 4.264 128 HA GLU 17 HA GLU 17 55.194 7.736 2.701 129 1HB GLU 17 HB2 GLU 17 52.529 8.617 2.358 130 2HB GLU 17 HB1 GLU 17 53.523 10.074 2.363 131 1HG GLU 17 HG2 GLU 17 55.024 8.363 0.814 132 2HG GLU 17 HG1 GLU 17 53.376 7.913 0.369 133 H ARG 18 HN ARG 18 53.890 9.235 5.545 134 HA ARG 18 HA ARG 18 55.340 11.682 5.536 135 1HB ARG 18 HB2 ARG 18 54.447 11.905 7.661 136 2HB ARG 18 HB1 ARG 18 53.417 10.617 7.051 137 1HG ARG 18 HG2 ARG 18 55.979 9.995 8.538 138 2HG ARG 18 HG1 ARG 18 54.474 10.307 9.392 139 1HD ARG 18 HD2 ARG 18 54.213 8.386 7.158 140 2HD ARG 18 HD1 ARG 18 55.209 7.824 8.517 141 HE ARG 18 HE ARG 18 52.372 8.727 8.736 142 1HH1 ARG 18 HH21 ARG 18 54.722 8.916 10.931 143 2HH1 ARG 18 HH22 ARG 18 54.183 7.643 11.974 144 1HH2 ARG 18 HH11 ARG 18 51.893 6.386 9.693 145 2HH2 ARG 18 HH12 ARG 18 52.584 6.210 11.272 146 H GLU 19 HN GLU 19 56.376 8.428 6.555 147 HA GLU 19 HA GLU 19 58.978 9.632 7.374 148 1HB GLU 19 HB2 GLU 19 57.362 7.516 8.336 149 2HB GLU 19 HB1 GLU 19 58.826 6.775 7.678 150 1HG GLU 19 HG2 GLU 19 60.133 7.651 9.295 151 2HG GLU 19 HG1 GLU 19 59.363 9.231 9.171 152 H ILE 20 HN ILE 20 57.600 7.131 5.257 153 HA ILE 20 HA ILE 20 60.018 6.341 4.045 154 HB ILE 20 HB ILE 20 57.165 6.115 3.651 155 1HG1 ILE 20 HG12 ILE 20 57.866 3.944 2.740 156 2HG1 ILE 20 HG11 ILE 20 59.531 4.518 2.649 157 1HG2 ILE 20 HG22 ILE 20 58.839 6.625 1.184 158 2HG2 ILE 20 HG21 ILE 20 57.385 5.626 1.132 159 3HG2 ILE 20 HG23 ILE 20 57.273 7.319 1.604 160 1HD1 ILE 20 HD11 ILE 20 59.360 4.985 5.156 161 2HD1 ILE 20 HD13 ILE 20 57.867 4.046 5.129 162 3HD1 ILE 20 HD12 ILE 20 59.396 3.286 4.688 163 H ARG 21 HN ARG 21 58.296 9.357 3.896 164 HA ARG 21 HA ARG 21 59.603 10.180 1.389 165 1HB ARG 21 HB2 ARG 21 58.278 12.208 1.702 166 2HB ARG 21 HB1 ARG 21 57.255 10.819 2.063 167 1HG ARG 21 HG2 ARG 21 57.744 11.101 4.468 168 2HG ARG 21 HG1 ARG 21 58.727 12.514 4.098 169 1HD ARG 21 HD2 ARG 21 55.781 12.255 3.387 170 2HD ARG 21 HD1 ARG 21 56.406 13.145 4.791 171 HE ARG 21 HE ARG 21 57.030 13.838 1.946 172 1HH1 ARG 21 HH21 ARG 21 59.112 14.836 3.762 173 2HH1 ARG 21 HH22 ARG 21 58.502 16.381 4.252 174 1HH2 ARG 21 HH11 ARG 21 55.251 15.717 3.249 175 2HH2 ARG 21 HH12 ARG 21 56.317 16.881 3.962 176 H LYS 22 HN LYS 22 59.956 10.645 4.842 177 HA LYS 22 HA LYS 22 62.121 12.616 4.493 178 1HB LYS 22 HB2 LYS 22 60.334 12.629 6.331 179 2HB LYS 22 HB1 LYS 22 61.123 11.196 6.987 180 1HG LYS 22 HG2 LYS 22 62.793 13.612 6.392 181 2HG LYS 22 HG1 LYS 22 61.802 13.601 7.852 182 1HD LYS 22 HD2 LYS 22 63.876 11.525 7.084 183 2HD LYS 22 HD1 LYS 22 64.031 12.726 8.365 184 1HE LYS 22 HE2 LYS 22 61.707 11.593 9.140 185 2HE LYS 22 HE1 LYS 22 62.452 10.202 8.329 186 1HZ LYS 22 HZ3 LYS 22 64.109 11.883 10.073 187 2HZ LYS 22 HZ2 LYS 22 63.060 10.758 10.794 188 3HZ LYS 22 HZ1 LYS 22 64.260 10.233 9.712 189 H ALA 23 HN ALA 23 61.485 9.249 5.147 190 HA ALA 23 HA ALA 23 64.232 8.557 5.906 191 1HB ALA 23 HB2 ALA 23 61.672 7.119 5.215 192 2HB ALA 23 HB1 ALA 23 63.172 6.215 5.395 193 3HB ALA 23 HB3 ALA 23 62.539 7.147 6.751 194 H TYR 24 HN TYR 24 62.199 7.779 3.041 195 HA TYR 24 HA TYR 24 64.108 6.633 1.383 196 1HB TYR 24 HB2 TYR 24 61.800 6.873 0.706 197 2HB TYR 24 HB1 TYR 24 61.896 8.628 0.824 198 HD1 TYR 24 HD1 TYR 24 64.786 6.894 -0.559 199 HD2 TYR 24 HD2 TYR 24 61.030 8.744 -1.525 200 HE1 TYR 24 HE1 TYR 24 65.471 7.055 -2.938 201 HE2 TYR 24 HE2 TYR 24 61.716 8.900 -3.899 202 HH TYR 24 HH TYR 24 63.558 8.820 -5.288 203 H LYS 25 HN LYS 25 63.610 10.046 2.151 204 HA LYS 25 HA LYS 25 65.810 10.929 0.396 205 1HB LYS 25 HB2 LYS 25 63.452 11.997 1.539 206 2HB LYS 25 HB1 LYS 25 64.791 12.899 2.249 207 1HG LYS 25 HG2 LYS 25 65.145 12.445 -0.619 208 2HG LYS 25 HG1 LYS 25 63.682 13.361 -0.254 209 1HD LYS 25 HD2 LYS 25 65.168 14.789 1.290 210 2HD LYS 25 HD1 LYS 25 66.536 14.036 0.469 211 1HE LYS 25 HE2 LYS 25 64.363 15.180 -1.244 212 2HE LYS 25 HE1 LYS 25 65.485 16.307 -0.456 213 1HZ LYS 25 HZ2 LYS 25 67.335 14.971 -1.285 214 2HZ LYS 25 HZ1 LYS 25 66.247 13.945 -2.092 215 3HZ LYS 25 HZ3 LYS 25 66.392 15.567 -2.567 216 H ARG 26 HN ARG 26 65.096 10.855 3.933 217 HA ARG 26 HA ARG 26 67.716 11.899 4.654 218 1HB ARG 26 HB2 ARG 26 65.709 12.084 6.064 219 2HB ARG 26 HB1 ARG 26 65.656 10.329 6.230 220 1HG ARG 26 HG2 ARG 26 66.910 10.652 8.089 221 2HG ARG 26 HG1 ARG 26 68.247 10.899 6.964 222 1HD ARG 26 HD2 ARG 26 66.688 13.334 7.215 223 2HD ARG 26 HD1 ARG 26 67.258 12.784 8.803 224 HE ARG 26 HE ARG 26 69.552 12.736 7.878 225 1HH1 ARG 26 HH21 ARG 26 67.488 15.159 6.934 226 2HH1 ARG 26 HH22 ARG 26 68.397 15.660 5.548 227 1HH2 ARG 26 HH11 ARG 26 70.571 12.961 5.668 228 2HH2 ARG 26 HH12 ARG 26 70.139 14.413 4.827 229 H LEU 27 HN LEU 27 66.489 8.628 4.071 230 HA LEU 27 HA LEU 27 68.867 7.395 5.318 231 1HB LEU 27 HB2 LEU 27 66.216 6.664 4.590 232 2HB LEU 27 HB1 LEU 27 67.317 5.620 3.694 233 HG LEU 27 HG LEU 27 66.693 4.734 5.970 234 1HD1 LEU 27 HD11 LEU 27 68.885 4.260 4.719 235 2HD1 LEU 27 HD13 LEU 27 69.632 5.420 5.817 236 3HD1 LEU 27 HD12 LEU 27 68.888 3.955 6.457 237 1HD2 LEU 27 HD22 LEU 27 67.263 7.397 6.714 238 2HD2 LEU 27 HD21 LEU 27 66.854 6.058 7.789 239 3HD2 LEU 27 HD23 LEU 27 68.544 6.417 7.428 240 H ALA 28 HN ALA 28 67.811 8.406 2.141 241 HA ALA 28 HA ALA 28 69.649 6.723 0.650 242 1HB ALA 28 HB2 ALA 28 67.558 7.829 -0.192 243 2HB ALA 28 HB1 ALA 28 68.404 9.373 -0.084 244 3HB ALA 28 HB3 ALA 28 68.981 8.128 -1.191 245 H MET 29 HN MET 29 69.794 9.832 2.248 246 HA MET 29 HA MET 29 71.961 11.131 1.079 247 1HB MET 29 HB2 MET 29 70.636 11.771 3.096 248 2HB MET 29 HB1 MET 29 71.521 10.551 4.013 249 1HG MET 29 HG2 MET 29 72.727 12.521 4.464 250 2HG MET 29 HG1 MET 29 73.650 11.769 3.164 251 1HE MET 29 HE3 MET 29 74.757 13.777 3.076 252 2HE MET 29 HE2 MET 29 74.604 13.743 1.322 253 3HE MET 29 HE1 MET 29 74.291 15.239 2.197 254 H LYS 30 HN LYS 30 72.059 8.634 3.564 255 HA LYS 30 HA LYS 30 74.783 8.126 3.863 256 1HB LYS 30 HB2 LYS 30 72.178 6.823 4.142 257 2HB LYS 30 HB1 LYS 30 73.470 5.662 3.811 258 1HG LYS 30 HG2 LYS 30 73.743 5.781 6.085 259 2HG LYS 30 HG1 LYS 30 74.744 7.163 5.636 260 1HD LYS 30 HD2 LYS 30 73.313 8.007 7.325 261 2HD LYS 30 HD1 LYS 30 72.579 8.556 5.817 262 1HE LYS 30 HE2 LYS 30 70.691 7.376 6.236 263 2HE LYS 30 HE1 LYS 30 71.623 5.898 6.549 264 1HZ LYS 30 HZ1 LYS 30 71.877 7.999 8.536 265 2HZ LYS 30 HZ3 LYS 30 70.354 7.258 8.464 266 3HZ LYS 30 HZ2 LYS 30 71.740 6.318 8.744 267 H TYR 31 HN TYR 31 72.695 7.529 1.165 268 HA TYR 31 HA TYR 31 74.838 5.906 -0.171 269 1HB TYR 31 HB2 TYR 31 71.918 6.028 -0.939 270 2HB TYR 31 HB1 TYR 31 73.089 4.749 -1.280 271 HD1 TYR 31 HD1 TYR 31 74.390 4.420 1.359 272 HD2 TYR 31 HD2 TYR 31 70.250 4.974 0.358 273 HE1 TYR 31 HE1 TYR 31 73.730 3.254 3.447 274 HE2 TYR 31 HE2 TYR 31 69.589 3.808 2.445 275 HH TYR 31 HH TYR 31 71.614 3.298 4.983 276 H HIS 32 HN HIS 32 72.787 8.734 -0.398 277 HA HIS 32 HA HIS 32 72.612 9.541 -2.972 278 1HB HIS 32 HB2 HIS 32 73.050 10.735 -0.389 279 2HB HIS 32 HB1 HIS 32 73.894 11.683 -1.617 280 HD1 HIS 32 HD1 HIS 32 71.792 13.357 -0.758 281 HD2 HIS 32 HD2 HIS 32 70.871 10.193 -3.311 282 HE1 HIS 32 HE1 HIS 32 69.551 13.907 -1.800 283 HA PRO 33 HA PRO 33 76.423 9.497 -5.127 284 1HB PRO 33 HB2 PRO 33 76.217 11.877 -6.511 285 2HB PRO 33 HB1 PRO 33 75.315 10.408 -6.933 286 1HG PRO 33 HG2 PRO 33 74.438 12.737 -5.269 287 2HG PRO 33 HG1 PRO 33 73.592 11.937 -6.612 288 1HD PRO 33 HD2 PRO 33 72.938 11.324 -4.130 289 2HD PRO 33 HD1 PRO 33 73.119 10.025 -5.334 290 H ASP 34 HN ASP 34 77.904 11.935 -5.822 291 HA ASP 34 HA ASP 34 79.489 13.417 -4.841 292 1HB ASP 34 HB2 ASP 34 77.158 13.599 -3.310 293 2HB ASP 34 HB1 ASP 34 78.400 13.216 -2.118 294 H ARG 35 HN ARG 35 78.490 11.229 -2.219 295 HA ARG 35 HA ARG 35 81.254 10.374 -1.705 296 1HB ARG 35 HB2 ARG 35 80.204 9.395 0.216 297 2HB ARG 35 HB1 ARG 35 79.341 10.907 -0.047 298 1HG ARG 35 HG2 ARG 35 77.590 9.672 -1.306 299 2HG ARG 35 HG1 ARG 35 78.443 8.160 -0.994 300 1HD ARG 35 HD2 ARG 35 77.383 10.016 1.172 301 2HD ARG 35 HD1 ARG 35 76.596 8.516 0.642 302 HE ARG 35 HE ARG 35 79.278 8.653 1.953 303 1HH1 ARG 35 HH21 ARG 35 77.666 6.546 -0.026 304 2HH1 ARG 35 HH22 ARG 35 77.588 5.234 1.101 305 1HH2 ARG 35 HH11 ARG 35 78.683 7.131 3.789 306 2HH2 ARG 35 HH12 ARG 35 78.163 5.566 3.263 307 H ASN 36 HN ASN 36 78.330 9.358 -3.269 308 HA ASN 36 HA ASN 36 79.239 6.564 -3.689 309 1HB ASN 36 HB2 ASN 36 76.737 8.194 -3.773 310 2HB ASN 36 HB1 ASN 36 76.832 6.830 -4.885 311 1HD2 ASN 36 HD22 ASN 36 75.793 4.716 -2.273 312 2HD2 ASN 36 HD21 ASN 36 75.496 5.306 -3.837 313 H GLN 37 HN GLN 37 78.946 9.602 -5.349 314 HA GLN 37 HA GLN 37 79.635 10.196 -7.517 315 1HB GLN 37 HB2 GLN 37 80.339 7.306 -7.982 316 2HB GLN 37 HB1 GLN 37 81.116 8.738 -8.652 317 1HG GLN 37 HG2 GLN 37 81.629 9.282 -6.122 318 2HG GLN 37 HG1 GLN 37 81.396 7.544 -5.915 319 1HE2 GLN 37 HE22 GLN 37 84.737 7.036 -6.912 320 2HE2 GLN 37 HE21 GLN 37 83.520 6.733 -5.769 321 H GLY 38 HN GLY 38 77.209 10.342 -7.531 322 1HA GLY 38 HA2 GLY 38 75.284 10.123 -8.859 323 2HA GLY 38 HA1 GLY 38 76.202 9.050 -9.920 324 H ASP 39 HN ASP 39 76.906 6.949 -8.463 325 HA ASP 39 HA ASP 39 74.637 6.033 -6.791 326 1HB ASP 39 HB2 ASP 39 75.203 5.141 -9.601 327 2HB ASP 39 HB1 ASP 39 74.481 4.008 -8.457 328 H LYS 40 HN LYS 40 76.531 3.764 -8.612 329 HA LYS 40 HA LYS 40 78.143 2.211 -7.955 330 1HB LYS 40 HB2 LYS 40 78.756 4.556 -6.213 331 2HB LYS 40 HB1 LYS 40 79.795 3.144 -6.270 332 1HG LYS 40 HG2 LYS 40 79.067 4.977 -8.572 333 2HG LYS 40 HG1 LYS 40 80.657 4.791 -7.832 334 1HD LYS 40 HD2 LYS 40 81.066 3.214 -9.391 335 2HD LYS 40 HD1 LYS 40 79.923 2.190 -8.517 336 1HE LYS 40 HE2 LYS 40 78.069 3.035 -9.881 337 2HE LYS 40 HE1 LYS 40 79.175 4.133 -10.730 338 1HZ LYS 40 HZ3 LYS 40 80.545 1.997 -11.104 339 2HZ LYS 40 HZ2 LYS 40 79.083 1.186 -10.795 340 3HZ LYS 40 HZ1 LYS 40 79.195 2.280 -12.090 341 H GLU 41 HN GLU 41 77.423 3.758 -4.830 342 HA GLU 41 HA GLU 41 76.873 1.062 -3.691 343 1HB GLU 41 HB2 GLU 41 77.542 3.818 -2.697 344 2HB GLU 41 HB1 GLU 41 76.710 2.714 -1.599 345 1HG GLU 41 HG2 GLU 41 78.597 1.035 -2.517 346 2HG GLU 41 HG1 GLU 41 79.467 2.556 -2.712 347 H ALA 42 HN ALA 42 75.266 3.801 -4.939 348 HA ALA 42 HA ALA 42 72.773 3.376 -3.423 349 1HB ALA 42 HB1 ALA 42 74.042 5.393 -5.090 350 2HB ALA 42 HB3 ALA 42 72.392 5.092 -5.632 351 3HB ALA 42 HB2 ALA 42 72.698 5.580 -3.964 352 H GLU 43 HN GLU 43 74.340 2.252 -6.291 353 HA GLU 43 HA GLU 43 72.192 1.747 -8.038 354 1HB GLU 43 HB2 GLU 43 74.525 1.396 -8.618 355 2HB GLU 43 HB1 GLU 43 74.687 0.158 -7.372 356 1HG GLU 43 HG2 GLU 43 72.595 -0.856 -8.775 357 2HG GLU 43 HG1 GLU 43 73.462 -0.024 -10.067 358 H ALA 44 HN ALA 44 73.369 -0.319 -5.354 359 HA ALA 44 HA ALA 44 71.087 -2.145 -5.726 360 1HB ALA 44 HB3 ALA 44 73.701 -2.071 -4.396 361 2HB ALA 44 HB2 ALA 44 72.444 -2.725 -3.346 362 3HB ALA 44 HB1 ALA 44 72.759 -3.469 -4.913 363 H LYS 45 HN LYS 45 72.429 -0.211 -3.021 364 HA LYS 45 HA LYS 45 70.282 -0.265 -1.280 365 1HB LYS 45 HB2 LYS 45 72.597 1.317 -1.776 366 2HB LYS 45 HB1 LYS 45 71.259 2.427 -1.448 367 1HG LYS 45 HG2 LYS 45 71.667 1.985 0.734 368 2HG LYS 45 HG1 LYS 45 70.865 0.442 0.425 369 1HD LYS 45 HD2 LYS 45 73.575 0.300 -0.508 370 2HD LYS 45 HD1 LYS 45 73.567 0.861 1.165 371 1HE LYS 45 HE2 LYS 45 71.678 -1.159 1.223 372 2HE LYS 45 HE1 LYS 45 72.894 -1.795 0.097 373 1HZ LYS 45 HZ2 LYS 45 74.616 -1.134 1.709 374 2HZ LYS 45 HZ1 LYS 45 73.400 -0.684 2.808 375 3HZ LYS 45 HZ3 LYS 45 73.560 -2.306 2.340 376 H PHE 46 HN PHE 46 70.501 1.677 -4.313 377 HA PHE 46 HA PHE 46 68.199 3.291 -3.904 378 1HB PHE 46 HB2 PHE 46 69.504 3.681 -5.858 379 2HB PHE 46 HB1 PHE 46 69.477 1.977 -6.312 380 HD1 PHE 46 HD2 PHE 46 66.880 4.556 -5.444 381 HD2 PHE 46 HD1 PHE 46 68.214 1.559 -8.218 382 HE1 PHE 46 HE2 PHE 46 64.872 4.956 -6.843 383 HE2 PHE 46 HE1 PHE 46 66.204 1.958 -9.615 384 HZ PHE 46 HZ PHE 46 64.533 3.657 -8.928 385 H LYS 47 HN LYS 47 68.560 -0.098 -4.427 386 HA LYS 47 HA LYS 47 65.782 -0.589 -5.042 387 1HB LYS 47 HB2 LYS 47 66.570 -2.771 -5.385 388 2HB LYS 47 HB1 LYS 47 68.091 -1.907 -5.549 389 1HG LYS 47 HG2 LYS 47 68.800 -2.520 -3.370 390 2HG LYS 47 HG1 LYS 47 67.175 -2.971 -2.882 391 1HD LYS 47 HD2 LYS 47 67.804 -5.078 -3.399 392 2HD LYS 47 HD1 LYS 47 67.568 -4.570 -5.073 393 1HE LYS 47 HE2 LYS 47 69.777 -4.844 -5.473 394 2HE LYS 47 HE1 LYS 47 70.160 -3.677 -4.193 395 1HZ LYS 47 HZ2 LYS 47 69.262 -6.377 -3.457 396 2HZ LYS 47 HZ1 LYS 47 70.878 -6.155 -3.934 397 3HZ LYS 47 HZ3 LYS 47 70.265 -5.306 -2.599 398 H GLU 48 HN GLU 48 68.051 -1.092 -2.314 399 HA GLU 48 HA GLU 48 66.137 -1.804 -0.364 400 1HB GLU 48 HB2 GLU 48 68.623 -0.064 -0.127 401 2HB GLU 48 HB1 GLU 48 67.834 -0.890 1.217 402 1HG GLU 48 HG2 GLU 48 68.301 -2.808 -0.854 403 2HG GLU 48 HG1 GLU 48 69.804 -1.930 -0.566 404 H ILE 49 HN ILE 49 66.708 1.157 -2.072 405 HA ILE 49 HA ILE 49 65.200 2.778 -0.141 406 HB ILE 49 HB ILE 49 66.338 3.290 -2.907 407 1HG1 ILE 49 HG12 ILE 49 68.277 3.269 -1.694 408 2HG1 ILE 49 HG11 ILE 49 67.741 4.866 -1.181 409 1HG2 ILE 49 HG23 ILE 49 64.543 4.805 -1.188 410 2HG2 ILE 49 HG22 ILE 49 66.013 5.702 -1.572 411 3HG2 ILE 49 HG21 ILE 49 64.989 5.087 -2.871 412 1HD1 ILE 49 HD11 ILE 49 66.584 3.804 0.758 413 2HD1 ILE 49 HD13 ILE 49 67.271 2.254 0.271 414 3HD1 ILE 49 HD12 ILE 49 68.332 3.566 0.783 415 H LYS 50 HN LYS 50 64.739 2.816 -3.635 416 HA LYS 50 HA LYS 50 61.885 3.053 -3.330 417 1HB LYS 50 HB2 LYS 50 63.895 3.428 -5.296 418 2HB LYS 50 HB1 LYS 50 62.725 2.302 -5.989 419 1HG LYS 50 HG2 LYS 50 61.065 4.123 -4.800 420 2HG LYS 50 HG1 LYS 50 62.407 5.155 -5.296 421 1HD LYS 50 HD2 LYS 50 61.894 3.371 -7.448 422 2HD LYS 50 HD1 LYS 50 60.336 4.015 -6.927 423 1HE LYS 50 HE2 LYS 50 61.532 6.330 -6.931 424 2HE LYS 50 HE1 LYS 50 62.745 5.521 -7.943 425 1HZ LYS 50 HZ2 LYS 50 59.878 5.157 -8.511 426 2HZ LYS 50 HZ1 LYS 50 60.665 6.560 -9.059 427 3HZ LYS 50 HZ3 LYS 50 61.203 5.034 -9.567 428 H GLU 51 HN GLU 51 63.941 0.240 -3.382 429 HA GLU 51 HA GLU 51 61.804 -1.477 -4.518 430 1HB GLU 51 HB2 GLU 51 64.455 -1.613 -4.706 431 2HB GLU 51 HB1 GLU 51 64.316 -2.474 -3.179 432 1HG GLU 51 HG2 GLU 51 63.172 -3.205 -5.862 433 2HG GLU 51 HG1 GLU 51 64.229 -4.157 -4.821 434 H ALA 52 HN ALA 52 63.242 -0.508 -1.495 435 HA ALA 52 HA ALA 52 61.695 -2.429 0.136 436 1HB ALA 52 HB2 ALA 52 64.124 -1.406 0.379 437 2HB ALA 52 HB1 ALA 52 63.256 -0.065 1.127 438 3HB ALA 52 HB3 ALA 52 63.145 -1.681 1.819 439 H TYR 53 HN TYR 53 62.062 1.095 -0.092 440 HA TYR 53 HA TYR 53 59.752 1.684 1.534 441 1HB TYR 53 HB2 TYR 53 60.970 3.567 1.657 442 2HB TYR 53 HB1 TYR 53 62.092 2.867 0.509 443 HD1 TYR 53 HD2 TYR 53 58.738 4.582 0.449 444 HD2 TYR 53 HD1 TYR 53 62.613 4.126 -1.317 445 HE1 TYR 53 HE2 TYR 53 58.222 6.381 -1.170 446 HE2 TYR 53 HE1 TYR 53 62.116 5.920 -2.928 447 HH TYR 53 HH TYR 53 59.660 6.871 -3.911 448 H GLU 54 HN GLU 54 59.838 0.499 -1.571 449 HA GLU 54 HA GLU 54 57.750 2.192 -2.760 450 1HB GLU 54 HB2 GLU 54 59.004 1.217 -4.424 451 2HB GLU 54 HB1 GLU 54 59.399 -0.186 -3.433 452 1HG GLU 54 HG2 GLU 54 57.536 -1.358 -4.096 453 2HG GLU 54 HG1 GLU 54 56.559 0.097 -4.296 454 H VAL 55 HN VAL 55 57.914 -1.068 -1.324 455 HA VAL 55 HA VAL 55 55.066 -1.519 -1.698 456 HB VAL 55 HB VAL 55 55.684 -3.652 -1.340 457 1HG1 VAL 55 HG11 VAL 55 58.366 -2.569 -0.467 458 2HG1 VAL 55 HG13 VAL 55 58.026 -4.248 -0.864 459 3HG1 VAL 55 HG12 VAL 55 57.908 -3.008 -2.113 460 1HG2 VAL 55 HG23 VAL 55 55.128 -3.094 1.097 461 2HG2 VAL 55 HG22 VAL 55 56.142 -4.508 0.825 462 3HG2 VAL 55 HG21 VAL 55 56.867 -2.992 1.355 463 H LEU 56 HN LEU 56 57.047 -0.672 1.093 464 HA LEU 56 HA LEU 56 55.284 -0.636 3.200 465 1HB LEU 56 HB2 LEU 56 57.579 0.840 2.202 466 2HB LEU 56 HB1 LEU 56 56.576 1.849 3.252 467 HG LEU 56 HG LEU 56 56.621 0.064 4.980 468 1HD1 LEU 56 HD12 LEU 56 58.447 -1.272 2.962 469 2HD1 LEU 56 HD11 LEU 56 58.330 -1.769 4.649 470 3HD1 LEU 56 HD13 LEU 56 56.922 -1.892 3.594 471 1HD2 LEU 56 HD23 LEU 56 59.335 0.977 3.968 472 2HD2 LEU 56 HD22 LEU 56 58.294 1.842 5.099 473 3HD2 LEU 56 HD21 LEU 56 59.035 0.315 5.576 474 H THR 57 HN THR 57 55.126 1.396 0.313 475 HA THR 57 HA THR 57 52.857 2.942 1.509 476 HB THR 57 HB THR 57 53.511 4.702 0.090 477 HG1 THR 57 HG1 THR 57 54.385 2.598 -1.499 478 1HG2 THR 57 HG22 THR 57 55.458 3.515 1.645 479 2HG2 THR 57 HG21 THR 57 56.258 3.670 0.082 480 3HG2 THR 57 HG23 THR 57 55.596 5.097 0.878 481 H ASP 58 HN ASP 58 53.187 0.210 -0.249 482 HA ASP 58 HA ASP 58 51.235 0.874 -2.385 483 1HB ASP 58 HB2 ASP 58 53.279 -0.487 -2.793 484 2HB ASP 58 HB1 ASP 58 52.677 -1.697 -1.655 485 H SER 59 HN SER 59 49.276 1.155 -1.176 486 HA SER 59 HA SER 59 47.429 0.525 0.184 487 1HB SER 59 HB2 SER 59 47.993 -1.748 -1.733 488 2HB SER 59 HB1 SER 59 46.495 -1.616 -0.819 489 HG SER 59 HG SER 59 46.049 0.293 -1.856 490 H GLN 60 HN GLN 60 48.443 -2.792 -0.191 491 HA GLN 60 HA GLN 60 48.339 -3.252 2.693 492 1HB GLN 60 HB2 GLN 60 48.971 -5.572 1.929 493 2HB GLN 60 HB1 GLN 60 47.516 -4.925 1.183 494 1HG GLN 60 HG2 GLN 60 49.702 -4.100 -0.424 495 2HG GLN 60 HG1 GLN 60 49.931 -5.807 -0.077 496 1HE2 GLN 60 HE22 GLN 60 46.315 -4.880 -1.805 497 2HE2 GLN 60 HE21 GLN 60 46.904 -3.908 -0.543 498 H LYS 61 HN LYS 61 50.911 -3.006 0.247 499 HA LYS 61 HA LYS 61 53.211 -2.655 0.523 500 1HB LYS 61 HB2 LYS 61 52.550 -2.123 3.421 501 2HB LYS 61 HB1 LYS 61 53.792 -1.373 2.431 502 1HG LYS 61 HG2 LYS 61 52.293 0.046 1.383 503 2HG LYS 61 HG1 LYS 61 50.925 -1.040 1.614 504 1HD LYS 61 HD2 LYS 61 52.281 0.191 3.998 505 2HD LYS 61 HD1 LYS 61 51.093 1.119 3.084 506 1HE LYS 61 HE2 LYS 61 49.975 -1.466 3.483 507 2HE LYS 61 HE1 LYS 61 50.613 -0.926 5.046 508 1HZ LYS 61 HZ3 LYS 61 48.930 0.719 3.228 509 2HZ LYS 61 HZ2 LYS 61 48.370 -0.056 4.634 510 3HZ LYS 61 HZ1 LYS 61 49.517 1.192 4.747 511 H ARG 62 HN ARG 62 52.339 -3.884 3.750 512 HA ARG 62 HA ARG 62 54.569 -5.776 3.643 513 1HB ARG 62 HB2 ARG 62 52.417 -5.396 5.736 514 2HB ARG 62 HB1 ARG 62 54.043 -6.034 5.976 515 1HG ARG 62 HG2 ARG 62 54.757 -3.694 4.962 516 2HG ARG 62 HG1 ARG 62 53.163 -3.208 5.539 517 1HD ARG 62 HD2 ARG 62 55.416 -4.399 7.193 518 2HD ARG 62 HD1 ARG 62 54.692 -2.786 7.360 519 HE ARG 62 HE ARG 62 53.564 -5.237 8.406 520 1HH1 ARG 62 HH21 ARG 62 51.198 -5.190 7.265 521 2HH1 ARG 62 HH22 ARG 62 50.325 -3.786 7.783 522 1HH2 ARG 62 HH11 ARG 62 53.148 -2.133 8.935 523 2HH2 ARG 62 HH12 ARG 62 51.429 -2.055 8.731 524 H ALA 63 HN ALA 63 51.463 -5.903 2.479 525 HA ALA 63 HA ALA 63 51.248 -8.840 3.047 526 1HB ALA 63 HB2 ALA 63 49.465 -6.706 3.355 527 2HB ALA 63 HB1 ALA 63 48.931 -7.497 1.872 528 3HB ALA 63 HB3 ALA 63 49.039 -8.416 3.373 529 H ALA 64 HN ALA 64 51.664 -6.365 0.675 530 HA ALA 64 HA ALA 64 51.059 -8.100 -1.636 531 1HB ALA 64 HB1 ALA 64 51.635 -5.250 -1.026 532 2HB ALA 64 HB3 ALA 64 52.155 -5.809 -2.616 533 3HB ALA 64 HB2 ALA 64 50.459 -5.936 -2.147 534 H TYR 65 HN TYR 65 53.908 -6.291 -0.430 535 HA TYR 65 HA TYR 65 55.666 -7.700 -2.315 536 1HB TYR 65 HB2 TYR 65 55.590 -5.343 -0.723 537 2HB TYR 65 HB1 TYR 65 57.033 -6.241 -0.273 538 HD1 TYR 65 HD2 TYR 65 55.230 -4.657 -3.100 539 HD2 TYR 65 HD1 TYR 65 58.857 -6.569 -1.815 540 HE1 TYR 65 HE2 TYR 65 56.347 -3.946 -5.196 541 HE2 TYR 65 HE1 TYR 65 59.974 -5.856 -3.912 542 HH TYR 65 HH TYR 65 58.266 -4.657 -6.588 543 H ASP 66 HN ASP 66 54.582 -8.103 0.951 544 HA ASP 66 HA ASP 66 56.843 -9.524 1.963 545 1HB ASP 66 HB2 ASP 66 55.329 -10.122 3.738 546 2HB ASP 66 HB1 ASP 66 54.874 -8.503 3.202 547 H GLN 67 HN GLN 67 54.164 -10.409 -0.135 548 HA GLN 67 HA GLN 67 55.177 -13.241 -0.134 549 1HB GLN 67 HB2 GLN 67 52.866 -13.919 -0.464 550 2HB GLN 67 HB1 GLN 67 52.934 -12.830 0.922 551 1HG GLN 67 HG2 GLN 67 52.269 -10.944 -0.541 552 2HG GLN 67 HG1 GLN 67 52.158 -12.057 -1.906 553 1HE2 GLN 67 HE22 GLN 67 49.318 -13.816 -0.319 554 2HE2 GLN 67 HE21 GLN 67 50.827 -14.236 -0.972 555 H TYR 68 HN TYR 68 53.642 -10.679 -2.118 556 HA TYR 68 HA TYR 68 54.329 -12.185 -4.586 557 1HB TYR 68 HB2 TYR 68 52.789 -9.636 -4.003 558 2HB TYR 68 HB1 TYR 68 53.011 -10.300 -5.625 559 HD1 TYR 68 HD2 TYR 68 52.732 -13.149 -5.322 560 HD2 TYR 68 HD1 TYR 68 50.583 -10.008 -3.331 561 HE1 TYR 68 HE2 TYR 68 50.822 -14.687 -4.957 562 HE2 TYR 68 HE1 TYR 68 48.671 -11.546 -2.967 563 HH TYR 68 HH TYR 68 48.507 -14.664 -4.490 564 H GLY 69 HN GLY 69 54.367 -8.680 -4.422 565 1HA GLY 69 HA2 GLY 69 56.422 -7.327 -4.225 566 2HA GLY 69 HA1 GLY 69 57.326 -8.709 -4.848 567 H HIS 70 HN HIS 70 54.796 -6.377 -5.782 568 HA HIS 70 HA HIS 70 54.385 -5.358 -7.872 569 1HB HIS 70 HB2 HIS 70 57.232 -6.046 -7.723 570 2HB HIS 70 HB1 HIS 70 56.635 -5.920 -9.380 571 HD1 HIS 70 HD1 HIS 70 55.093 -3.848 -6.669 572 HD2 HIS 70 HD2 HIS 70 57.865 -3.365 -9.745 573 HE1 HIS 70 HE1 HIS 70 55.476 -1.356 -6.900 574 H ALA 71 HN ALA 71 52.913 -7.465 -7.868 575 HA ALA 71 HA ALA 71 52.032 -9.268 -9.131 576 1HB ALA 71 HB3 ALA 71 52.969 -7.132 -10.771 577 2HB ALA 71 HB2 ALA 71 53.363 -8.637 -11.600 578 3HB ALA 71 HB1 ALA 71 51.695 -8.293 -11.142 579 H ALA 72 HN ALA 72 54.853 -9.398 -7.909 580 HA ALA 72 HA ALA 72 56.824 -10.703 -9.265 581 1HB ALA 72 HB2 ALA 72 56.644 -10.298 -6.801 582 2HB ALA 72 HB1 ALA 72 55.569 -11.693 -6.685 583 3HB ALA 72 HB3 ALA 72 57.248 -11.911 -7.182 584 H PHE 73 HN PHE 73 54.384 -12.768 -7.659 585 HA PHE 73 HA PHE 73 54.752 -14.769 -9.841 586 1HB PHE 73 HB2 PHE 73 54.401 -14.766 -6.975 587 2HB PHE 73 HB1 PHE 73 53.134 -15.739 -7.723 588 HD1 PHE 73 HD1 PHE 73 56.725 -15.103 -8.611 589 HD2 PHE 73 HD2 PHE 73 53.709 -18.000 -7.630 590 HE1 PHE 73 HE1 PHE 73 58.354 -16.930 -8.999 591 HE2 PHE 73 HE2 PHE 73 55.339 -19.828 -8.019 592 HZ PHE 73 HZ PHE 73 57.662 -19.294 -8.704 593 H GLU 74 HN GLU 74 53.242 -12.723 -10.810 594 HA GLU 74 HA GLU 74 50.725 -13.950 -11.463 595 1HB GLU 74 HB2 GLU 74 50.470 -13.245 -9.015 596 2HB GLU 74 HB1 GLU 74 50.540 -11.578 -9.588 597 1HG GLU 74 HG2 GLU 74 48.226 -12.040 -9.540 598 2HG GLU 74 HG1 GLU 74 48.662 -12.286 -11.232 599 H GLN 75 HN GLN 75 51.235 -13.259 -13.593 600 HA GLN 75 HA GLN 75 52.223 -10.793 -14.465 601 1HB GLN 75 HB2 GLN 75 50.141 -12.649 -15.658 602 2HB GLN 75 HB1 GLN 75 50.951 -11.370 -16.565 603 1HG GLN 75 HG2 GLN 75 52.484 -13.504 -15.070 604 2HG GLN 75 HG1 GLN 75 51.986 -13.705 -16.749 605 1HE2 GLN 75 HE22 GLN 75 55.196 -11.413 -15.896 606 2HE2 GLN 75 HE21 GLN 75 54.385 -12.307 -14.703 607 H GLY 76 HN GLY 76 48.733 -11.619 -14.521 608 1HA GLY 76 HA2 GLY 76 47.894 -8.893 -14.836 609 2HA GLY 76 HA1 GLY 76 46.849 -10.228 -14.349 610 H GLY 77 HN GLY 77 46.497 -10.598 -12.125 611 1HA GLY 77 HA2 GLY 77 46.580 -8.356 -10.397 612 2HA GLY 77 HA1 GLY 77 46.356 -10.020 -9.854 No H/Q in entry = 612 Start of MODEL 17 1 1H ALA 1 HT1 ALA 1 63.448 -14.448 9.571 2 2H ALA 1 HT3 ALA 1 62.132 -15.352 8.998 3 3H ALA 1 HT2 ALA 1 63.194 -16.028 10.140 4 HA ALA 1 HA ALA 1 64.939 -16.221 8.584 5 1HB ALA 1 HB3 ALA 1 62.808 -17.707 8.530 6 2HB ALA 1 HB2 ALA 1 62.427 -16.853 7.035 7 3HB ALA 1 HB1 ALA 1 63.908 -17.802 7.157 8 H LYS 2 HN LYS 2 62.175 -14.458 7.149 9 HA LYS 2 HA LYS 2 63.830 -13.511 4.902 10 1HB LYS 2 HB2 LYS 2 60.986 -13.476 5.787 11 2HB LYS 2 HB1 LYS 2 61.494 -12.152 4.737 12 1HG LYS 2 HG2 LYS 2 62.560 -14.023 3.274 13 2HG LYS 2 HG1 LYS 2 61.499 -15.110 4.169 14 1HD LYS 2 HD2 LYS 2 60.574 -12.651 2.654 15 2HD LYS 2 HD1 LYS 2 60.451 -14.307 2.059 16 1HE LYS 2 HE2 LYS 2 59.208 -13.370 4.668 17 2HE LYS 2 HE1 LYS 2 58.324 -13.491 3.132 18 1HZ LYS 2 HZ2 LYS 2 59.183 -15.817 2.981 19 2HZ LYS 2 HZ1 LYS 2 59.721 -15.668 4.584 20 3HZ LYS 2 HZ3 LYS 2 58.065 -15.562 4.234 21 H GLN 3 HN GLN 3 63.789 -11.060 4.476 22 HA GLN 3 HA GLN 3 64.180 -9.576 7.059 23 1HB GLN 3 HB2 GLN 3 65.578 -9.274 4.378 24 2HB GLN 3 HB1 GLN 3 65.957 -8.368 5.844 25 1HG GLN 3 HG2 GLN 3 67.532 -10.067 5.988 26 2HG GLN 3 HG1 GLN 3 66.196 -10.794 6.884 27 1HE2 GLN 3 HE21 GLN 3 65.641 -12.862 6.190 28 2HE2 GLN 3 HE22 GLN 3 65.932 -13.480 4.636 29 H ASP 4 HN ASP 4 62.140 -8.613 7.125 30 HA ASP 4 HA ASP 4 60.504 -7.577 5.171 31 1HB ASP 4 HB2 ASP 4 60.213 -7.573 7.660 32 2HB ASP 4 HB1 ASP 4 61.318 -6.202 7.750 33 H TYR 5 HN TYR 5 60.314 -5.427 4.192 34 HA TYR 5 HA TYR 5 62.978 -4.140 3.775 35 1HB TYR 5 HB2 TYR 5 60.975 -3.262 1.911 36 2HB TYR 5 HB1 TYR 5 62.445 -4.181 1.600 37 HD1 TYR 5 HD2 TYR 5 58.837 -4.454 2.457 38 HD2 TYR 5 HD1 TYR 5 62.384 -6.548 1.234 39 HE1 TYR 5 HE2 TYR 5 57.477 -6.465 1.951 40 HE2 TYR 5 HE1 TYR 5 61.024 -8.558 0.730 41 HH TYR 5 HH TYR 5 58.881 -9.530 1.361 42 H TYR 6 HN TYR 6 59.874 -3.630 5.161 43 HA TYR 6 HA TYR 6 59.851 -0.720 4.965 44 1HB TYR 6 HB2 TYR 6 58.047 -2.674 5.503 45 2HB TYR 6 HB1 TYR 6 58.428 -2.121 7.132 46 HD1 TYR 6 HD1 TYR 6 59.092 0.768 6.409 47 HD2 TYR 6 HD2 TYR 6 55.823 -1.801 5.323 48 HE1 TYR 6 HE1 TYR 6 57.628 2.750 6.117 49 HE2 TYR 6 HE2 TYR 6 54.364 0.183 5.025 50 HH TYR 6 HH TYR 6 55.011 3.136 6.238 51 H GLU 7 HN GLU 7 61.052 -3.172 7.143 52 HA GLU 7 HA GLU 7 61.844 -1.211 9.192 53 1HB GLU 7 HB2 GLU 7 61.241 -3.979 9.014 54 2HB GLU 7 HB1 GLU 7 62.931 -3.868 9.508 55 1HG GLU 7 HG2 GLU 7 62.286 -2.301 11.317 56 2HG GLU 7 HG1 GLU 7 60.595 -2.470 10.844 57 H ILE 8 HN ILE 8 63.201 -2.922 6.456 58 HA ILE 8 HA ILE 8 65.973 -2.826 7.108 59 HB ILE 8 HB ILE 8 64.237 -3.497 4.956 60 1HG1 ILE 8 HG12 ILE 8 67.165 -3.942 4.700 61 2HG1 ILE 8 HG11 ILE 8 66.391 -4.560 6.160 62 1HG2 ILE 8 HG22 ILE 8 66.456 -1.604 4.153 63 2HG2 ILE 8 HG21 ILE 8 65.754 -2.775 3.035 64 3HG2 ILE 8 HG23 ILE 8 64.746 -1.508 3.734 65 1HD1 ILE 8 HD11 ILE 8 64.829 -5.110 3.750 66 2HD1 ILE 8 HD13 ILE 8 66.437 -5.833 3.691 67 3HD1 ILE 8 HD12 ILE 8 65.348 -6.213 5.025 68 H LEU 9 HN LEU 9 63.751 -0.346 5.968 69 HA LEU 9 HA LEU 9 65.916 1.557 5.339 70 1HB LEU 9 HB2 LEU 9 62.947 2.079 5.632 71 2HB LEU 9 HB1 LEU 9 64.100 2.936 4.610 72 HG LEU 9 HG LEU 9 63.136 0.084 4.259 73 1HD1 LEU 9 HD13 LEU 9 62.867 2.570 2.540 74 2HD1 LEU 9 HD12 LEU 9 62.285 0.963 2.110 75 3HD1 LEU 9 HD11 LEU 9 61.574 1.821 3.475 76 1HD2 LEU 9 HD23 LEU 9 65.212 1.669 2.718 77 2HD2 LEU 9 HD22 LEU 9 65.531 0.264 3.735 78 3HD2 LEU 9 HD21 LEU 9 64.595 0.085 2.250 79 H GLY 10 HN GLY 10 65.123 0.366 8.178 80 1HA GLY 10 HA2 GLY 10 65.209 1.175 10.382 81 2HA GLY 10 HA1 GLY 10 65.932 2.642 9.713 82 H VAL 11 HN VAL 11 62.735 1.142 9.218 83 HA VAL 11 HA VAL 11 61.485 3.689 10.204 84 HB VAL 11 HB VAL 11 60.422 2.011 7.938 85 1HG1 VAL 11 HG13 VAL 11 59.688 4.458 9.274 86 2HG1 VAL 11 HG12 VAL 11 59.977 4.767 7.562 87 3HG1 VAL 11 HG11 VAL 11 58.799 3.549 8.053 88 1HG2 VAL 11 HG21 VAL 11 62.815 2.717 7.485 89 2HG2 VAL 11 HG23 VAL 11 61.627 3.297 6.325 90 3HG2 VAL 11 HG22 VAL 11 62.256 4.385 7.564 91 H SER 12 HN SER 12 59.153 3.363 10.688 92 HA SER 12 HA SER 12 58.672 0.745 12.012 93 1HB SER 12 HB2 SER 12 58.303 3.091 13.048 94 2HB SER 12 HB1 SER 12 56.935 3.236 11.948 95 HG SER 12 HG SER 12 56.922 2.115 14.279 96 H LYS 13 HN LYS 13 58.035 -0.672 10.347 97 HA LYS 13 HA LYS 13 56.837 -0.009 7.938 98 1HB LYS 13 HB2 LYS 13 56.448 -2.307 7.698 99 2HB LYS 13 HB1 LYS 13 57.762 -2.227 8.872 100 1HG LYS 13 HG2 LYS 13 56.231 -2.545 10.719 101 2HG LYS 13 HG1 LYS 13 54.835 -2.392 9.652 102 1HD LYS 13 HD2 LYS 13 55.757 -4.414 8.386 103 2HD LYS 13 HD1 LYS 13 56.862 -4.634 9.743 104 1HE LYS 13 HE2 LYS 13 55.113 -5.109 11.254 105 2HE LYS 13 HE1 LYS 13 53.888 -4.367 10.205 106 1HZ LYS 13 HZ3 LYS 13 55.484 -6.784 9.537 107 2HZ LYS 13 HZ2 LYS 13 53.858 -6.792 10.031 108 3HZ LYS 13 HZ1 LYS 13 54.297 -6.073 8.554 109 H THR 14 HN THR 14 55.338 0.380 10.977 110 HA THR 14 HA THR 14 52.606 0.102 9.899 111 HB THR 14 HB THR 14 52.272 1.179 12.322 112 HG1 THR 14 HG1 THR 14 54.012 1.144 13.528 113 1HG2 THR 14 HG23 THR 14 52.811 -1.551 11.362 114 2HG2 THR 14 HG22 THR 14 53.047 -1.339 13.096 115 3HG2 THR 14 HG21 THR 14 51.491 -0.950 12.365 116 H ALA 15 HN ALA 15 54.906 2.198 9.194 117 HA ALA 15 HA ALA 15 53.628 4.776 9.787 118 1HB ALA 15 HB2 ALA 15 56.161 4.165 9.522 119 2HB ALA 15 HB1 ALA 15 55.828 4.248 7.791 120 3HB ALA 15 HB3 ALA 15 55.585 5.671 8.803 121 H GLU 16 HN GLU 16 54.374 5.890 7.262 122 HA GLU 16 HA GLU 16 52.702 4.593 5.217 123 1HB GLU 16 HB2 GLU 16 51.834 6.660 7.003 124 2HB GLU 16 HB1 GLU 16 51.994 7.381 5.403 125 1HG GLU 16 HG2 GLU 16 50.791 4.946 4.867 126 2HG GLU 16 HG1 GLU 16 50.041 5.432 6.387 127 H GLU 17 HN GLU 17 52.751 7.217 3.804 128 HA GLU 17 HA GLU 17 55.513 7.076 2.788 129 1HB GLU 17 HB2 GLU 17 53.334 7.212 1.420 130 2HB GLU 17 HB1 GLU 17 53.264 8.904 1.916 131 1HG GLU 17 HG2 GLU 17 55.864 8.698 1.078 132 2HG GLU 17 HG1 GLU 17 55.051 7.592 -0.030 133 H ARG 18 HN ARG 18 54.340 8.438 5.432 134 HA ARG 18 HA ARG 18 55.287 11.188 5.044 135 1HB ARG 18 HB2 ARG 18 54.253 11.613 7.124 136 2HB ARG 18 HB1 ARG 18 53.241 10.373 6.393 137 1HG ARG 18 HG2 ARG 18 55.501 9.430 8.104 138 2HG ARG 18 HG1 ARG 18 54.135 10.184 8.914 139 1HD ARG 18 HD2 ARG 18 53.274 8.296 6.853 140 2HD ARG 18 HD1 ARG 18 54.246 7.529 8.123 141 HE ARG 18 HE ARG 18 51.689 8.980 8.539 142 1HH1 ARG 18 HH21 ARG 18 53.371 9.723 10.801 143 2HH1 ARG 18 HH22 ARG 18 53.154 8.415 11.916 144 1HH2 ARG 18 HH11 ARG 18 51.869 6.249 9.535 145 2HH2 ARG 18 HH12 ARG 18 52.305 6.447 11.199 146 H GLU 19 HN GLU 19 56.444 8.212 6.556 147 HA GLU 19 HA GLU 19 58.846 9.717 7.489 148 1HB GLU 19 HB2 GLU 19 57.233 7.684 8.626 149 2HB GLU 19 HB1 GLU 19 58.803 6.954 8.268 150 1HG GLU 19 HG2 GLU 19 59.809 8.113 9.902 151 2HG GLU 19 HG1 GLU 19 59.122 9.630 9.323 152 H ILE 20 HN ILE 20 57.749 7.018 5.501 153 HA ILE 20 HA ILE 20 60.351 6.105 4.794 154 HB ILE 20 HB ILE 20 57.608 5.619 4.139 155 1HG1 ILE 20 HG12 ILE 20 58.502 3.436 3.572 156 2HG1 ILE 20 HG11 ILE 20 60.119 4.112 3.377 157 1HG2 ILE 20 HG21 ILE 20 59.422 6.101 1.773 158 2HG2 ILE 20 HG23 ILE 20 58.106 4.928 1.687 159 3HG2 ILE 20 HG22 ILE 20 57.754 6.627 2.003 160 1HD1 ILE 20 HD13 ILE 20 58.637 4.419 5.980 161 2HD1 ILE 20 HD12 ILE 20 59.540 2.946 5.632 162 3HD1 ILE 20 HD11 ILE 20 60.371 4.498 5.682 163 H ARG 21 HN ARG 21 58.644 9.007 4.101 164 HA ARG 21 HA ARG 21 60.131 9.582 1.630 165 1HB ARG 21 HB2 ARG 21 58.751 11.532 1.555 166 2HB ARG 21 HB1 ARG 21 57.718 10.286 2.258 167 1HG ARG 21 HG2 ARG 21 58.373 11.098 4.534 168 2HG ARG 21 HG1 ARG 21 59.263 12.414 3.768 169 1HD ARG 21 HD2 ARG 21 56.563 12.248 2.695 170 2HD ARG 21 HD1 ARG 21 56.543 12.448 4.460 171 HE ARG 21 HE ARG 21 58.244 14.338 4.037 172 1HH1 ARG 21 HH21 ARG 21 58.596 14.330 1.194 173 2HH1 ARG 21 HH22 ARG 21 57.364 15.391 0.598 174 1HH2 ARG 21 HH11 ARG 21 55.485 15.279 3.509 175 2HH2 ARG 21 HH12 ARG 21 55.603 15.929 1.907 176 H LYS 22 HN LYS 22 60.112 10.635 5.008 177 HA LYS 22 HA LYS 22 62.412 12.404 4.645 178 1HB LYS 22 HB2 LYS 22 60.588 12.785 6.318 179 2HB LYS 22 HB1 LYS 22 61.035 11.276 7.116 180 1HG LYS 22 HG2 LYS 22 63.187 13.296 6.654 181 2HG LYS 22 HG1 LYS 22 62.018 13.615 7.937 182 1HD LYS 22 HD2 LYS 22 63.711 11.115 7.646 183 2HD LYS 22 HD1 LYS 22 63.930 12.385 8.849 184 1HE LYS 22 HE2 LYS 22 61.238 11.669 9.112 185 2HE LYS 22 HE1 LYS 22 62.087 10.125 8.894 186 1HZ LYS 22 HZ2 LYS 22 63.810 11.213 10.474 187 2HZ LYS 22 HZ1 LYS 22 62.506 12.196 10.945 188 3HZ LYS 22 HZ3 LYS 22 62.407 10.513 11.130 189 H ALA 23 HN ALA 23 61.624 9.137 5.618 190 HA ALA 23 HA ALA 23 64.250 8.455 6.687 191 1HB ALA 23 HB3 ALA 23 61.997 7.349 7.129 192 2HB ALA 23 HB2 ALA 23 62.113 6.650 5.514 193 3HB ALA 23 HB1 ALA 23 63.307 6.232 6.743 194 H TYR 24 HN TYR 24 62.581 7.439 3.666 195 HA TYR 24 HA TYR 24 64.715 6.228 2.340 196 1HB TYR 24 HB2 TYR 24 62.514 6.255 1.379 197 2HB TYR 24 HB1 TYR 24 62.468 8.018 1.381 198 HD1 TYR 24 HD2 TYR 24 64.191 9.272 -0.060 199 HD2 TYR 24 HD1 TYR 24 63.328 5.090 -0.516 200 HE1 TYR 24 HE2 TYR 24 65.172 9.318 -2.335 201 HE2 TYR 24 HE1 TYR 24 64.312 5.135 -2.791 202 HH TYR 24 HH TYR 24 66.306 7.304 -3.889 203 H LYS 25 HN LYS 25 63.865 9.688 2.415 204 HA LYS 25 HA LYS 25 66.169 10.527 0.854 205 1HB LYS 25 HB2 LYS 25 63.722 11.548 1.605 206 2HB LYS 25 HB1 LYS 25 64.835 12.483 2.603 207 1HG LYS 25 HG2 LYS 25 66.057 13.240 0.680 208 2HG LYS 25 HG1 LYS 25 65.219 12.101 -0.376 209 1HD LYS 25 HD2 LYS 25 63.205 13.612 0.919 210 2HD LYS 25 HD1 LYS 25 64.427 14.767 0.384 211 1HE LYS 25 HE2 LYS 25 63.331 14.627 -1.624 212 2HE LYS 25 HE1 LYS 25 64.239 13.113 -1.809 213 1HZ LYS 25 HZ1 LYS 25 62.340 12.169 -0.342 214 2HZ LYS 25 HZ3 LYS 25 61.467 13.512 -0.903 215 3HZ LYS 25 HZ2 LYS 25 62.082 12.376 -2.008 216 H ARG 26 HN ARG 26 65.311 10.782 4.359 217 HA ARG 26 HA ARG 26 67.747 12.051 5.159 218 1HB ARG 26 HB2 ARG 26 65.780 11.862 6.593 219 2HB ARG 26 HB1 ARG 26 65.926 10.104 6.607 220 1HG ARG 26 HG2 ARG 26 67.058 10.502 8.553 221 2HG ARG 26 HG1 ARG 26 68.407 10.773 7.450 222 1HD ARG 26 HD2 ARG 26 68.536 12.793 8.541 223 2HD ARG 26 HD1 ARG 26 67.224 13.244 7.433 224 HE ARG 26 HE ARG 26 65.773 13.214 9.288 225 1HH1 ARG 26 HH11 ARG 26 65.708 10.436 9.979 226 2HH1 ARG 26 HH12 ARG 26 66.490 10.350 11.521 227 1HH2 ARG 26 HH21 ARG 26 68.013 13.451 11.218 228 2HH2 ARG 26 HH22 ARG 26 67.798 12.055 12.222 229 H LEU 27 HN LEU 27 67.005 8.627 4.606 230 HA LEU 27 HA LEU 27 69.660 7.800 5.608 231 1HB LEU 27 HB2 LEU 27 67.074 6.676 5.266 232 2HB LEU 27 HB1 LEU 27 68.188 5.741 4.267 233 HG LEU 27 HG LEU 27 67.994 4.924 6.658 234 1HD1 LEU 27 HD13 LEU 27 70.356 5.466 5.070 235 2HD1 LEU 27 HD12 LEU 27 70.753 5.505 6.788 236 3HD1 LEU 27 HD11 LEU 27 70.005 4.069 6.090 237 1HD2 LEU 27 HD23 LEU 27 67.975 7.470 7.404 238 2HD2 LEU 27 HD22 LEU 27 68.701 6.243 8.444 239 3HD2 LEU 27 HD21 LEU 27 69.725 7.254 7.423 240 H ALA 28 HN ALA 28 67.988 8.181 2.501 241 HA ALA 28 HA ALA 28 70.048 6.842 0.952 242 1HB ALA 28 HB3 ALA 28 67.927 8.881 0.223 243 2HB ALA 28 HB2 ALA 28 68.822 7.886 -0.926 244 3HB ALA 28 HB1 ALA 28 67.712 7.131 0.219 245 H MET 29 HN MET 29 69.390 10.130 2.016 246 HA MET 29 HA MET 29 71.048 11.717 0.459 247 1HB MET 29 HB2 MET 29 69.679 12.308 2.469 248 2HB MET 29 HB1 MET 29 70.955 11.619 3.472 249 1HG MET 29 HG2 MET 29 72.477 13.300 2.936 250 2HG MET 29 HG1 MET 29 71.652 13.707 1.432 251 1HE MET 29 HE3 MET 29 72.889 14.983 3.965 252 2HE MET 29 HE2 MET 29 71.928 16.384 4.433 253 3HE MET 29 HE1 MET 29 71.823 14.898 5.375 254 H LYS 30 HN LYS 30 71.935 9.646 3.158 255 HA LYS 30 HA LYS 30 74.690 10.083 3.400 256 1HB LYS 30 HB2 LYS 30 72.642 8.158 4.058 257 2HB LYS 30 HB1 LYS 30 74.127 7.313 3.613 258 1HG LYS 30 HG2 LYS 30 74.816 7.721 5.729 259 2HG LYS 30 HG1 LYS 30 75.062 9.382 5.190 260 1HD LYS 30 HD2 LYS 30 72.328 8.518 6.080 261 2HD LYS 30 HD1 LYS 30 73.549 8.907 7.292 262 1HE LYS 30 HE2 LYS 30 73.215 10.839 5.034 263 2HE LYS 30 HE1 LYS 30 71.956 10.810 6.284 264 1HZ LYS 30 HZ3 LYS 30 74.808 10.755 7.032 265 2HZ LYS 30 HZ2 LYS 30 74.047 12.235 6.690 266 3HZ LYS 30 HZ1 LYS 30 73.474 11.255 7.954 267 H TYR 31 HN TYR 31 72.900 8.698 0.794 268 HA TYR 31 HA TYR 31 75.488 7.900 -0.514 269 1HB TYR 31 HB2 TYR 31 72.926 6.301 -0.654 270 2HB TYR 31 HB1 TYR 31 74.550 5.789 -1.121 271 HD1 TYR 31 HD2 TYR 31 76.348 6.228 0.900 272 HD2 TYR 31 HD1 TYR 31 72.153 5.427 1.358 273 HE1 TYR 31 HE2 TYR 31 76.759 5.398 3.200 274 HE2 TYR 31 HE1 TYR 31 72.563 4.599 3.662 275 HH TYR 31 HH TYR 31 75.634 3.846 4.822 276 H HIS 32 HN HIS 32 72.286 9.250 -0.841 277 HA HIS 32 HA HIS 32 71.417 9.125 -3.371 278 1HB HIS 32 HB2 HIS 32 71.828 11.307 -1.430 279 2HB HIS 32 HB1 HIS 32 71.531 11.846 -3.086 280 HD1 HIS 32 HD1 HIS 32 69.305 12.472 -1.206 281 HD2 HIS 32 HD2 HIS 32 69.550 8.777 -3.121 282 HE1 HIS 32 HE1 HIS 32 66.966 11.501 -1.190 283 HA PRO 33 HA PRO 33 75.197 9.582 -5.768 284 1HB PRO 33 HB2 PRO 33 73.915 9.219 -8.190 285 2HB PRO 33 HB1 PRO 33 74.410 7.889 -7.126 286 1HG PRO 33 HG2 PRO 33 71.748 9.234 -7.343 287 2HG PRO 33 HG1 PRO 33 72.131 7.500 -7.323 288 1HD PRO 33 HD2 PRO 33 71.290 8.672 -5.115 289 2HD PRO 33 HD1 PRO 33 72.637 7.511 -5.036 290 H ASP 34 HN ASP 34 74.608 10.823 -8.463 291 HA ASP 34 HA ASP 34 74.331 13.012 -9.366 292 1HB ASP 34 HB2 ASP 34 72.383 12.697 -7.345 293 2HB ASP 34 HB1 ASP 34 73.179 14.227 -6.972 294 H ARG 35 HN ARG 35 74.751 13.359 -5.854 295 HA ARG 35 HA ARG 35 77.126 15.093 -6.223 296 1HB ARG 35 HB2 ARG 35 76.596 15.686 -3.951 297 2HB ARG 35 HB1 ARG 35 75.047 15.559 -4.771 298 1HG ARG 35 HG2 ARG 35 74.972 13.135 -3.968 299 2HG ARG 35 HG1 ARG 35 76.349 13.530 -2.935 300 1HD ARG 35 HD2 ARG 35 73.670 14.970 -2.901 301 2HD ARG 35 HD1 ARG 35 74.238 13.813 -1.681 302 HE ARG 35 HE ARG 35 76.206 15.418 -1.358 303 1HH1 ARG 35 HH21 ARG 35 74.379 16.914 -3.632 304 2HH1 ARG 35 HH22 ARG 35 74.022 18.342 -2.719 305 1HH2 ARG 35 HH11 ARG 35 75.230 17.055 0.267 306 2HH2 ARG 35 HH12 ARG 35 74.505 18.422 -0.513 307 H ASN 36 HN ASN 36 76.031 11.956 -5.221 308 HA ASN 36 HA ASN 36 78.607 11.238 -3.938 309 1HB ASN 36 HB2 ASN 36 75.783 10.213 -4.053 310 2HB ASN 36 HB1 ASN 36 77.076 9.097 -3.629 311 1HD2 ASN 36 HD22 ASN 36 77.558 10.408 -0.404 312 2HD2 ASN 36 HD21 ASN 36 78.021 9.253 -1.558 313 H GLN 37 HN GLN 37 78.302 11.530 -6.987 314 HA GLN 37 HA GLN 37 78.307 8.808 -8.008 315 1HB GLN 37 HB2 GLN 37 79.030 11.524 -9.093 316 2HB GLN 37 HB1 GLN 37 79.274 10.062 -10.050 317 1HG GLN 37 HG2 GLN 37 76.943 9.517 -9.979 318 2HG GLN 37 HG1 GLN 37 76.624 10.748 -8.758 319 1HE2 GLN 37 HE22 GLN 37 76.672 13.457 -11.111 320 2HE2 GLN 37 HE21 GLN 37 76.915 13.069 -9.475 321 H GLY 38 HN GLY 38 80.500 10.365 -6.077 322 1HA GLY 38 HA2 GLY 38 83.022 9.825 -7.278 323 2HA GLY 38 HA1 GLY 38 82.733 9.856 -5.533 324 H ASP 39 HN ASP 39 80.549 7.783 -6.051 325 HA ASP 39 HA ASP 39 82.272 5.380 -6.501 326 1HB ASP 39 HB2 ASP 39 81.772 6.107 -4.052 327 2HB ASP 39 HB1 ASP 39 80.125 5.567 -4.384 328 H LYS 40 HN LYS 40 79.000 6.757 -6.318 329 HA LYS 40 HA LYS 40 77.061 6.296 -7.566 330 1HB LYS 40 HB2 LYS 40 78.961 4.657 -9.149 331 2HB LYS 40 HB1 LYS 40 77.476 5.373 -9.744 332 1HG LYS 40 HG2 LYS 40 78.391 7.593 -9.371 333 2HG LYS 40 HG1 LYS 40 79.842 6.903 -8.650 334 1HD LYS 40 HD2 LYS 40 79.357 5.752 -11.263 335 2HD LYS 40 HD1 LYS 40 79.453 7.512 -11.363 336 1HE LYS 40 HE2 LYS 40 81.615 7.529 -10.267 337 2HE LYS 40 HE1 LYS 40 81.501 5.791 -9.926 338 1HZ LYS 40 HZ2 LYS 40 80.968 6.096 -12.629 339 2HZ LYS 40 HZ1 LYS 40 82.325 7.071 -12.319 340 3HZ LYS 40 HZ3 LYS 40 82.362 5.421 -11.929 341 H GLU 41 HN GLU 41 78.693 4.100 -5.783 342 HA GLU 41 HA GLU 41 77.358 1.615 -6.443 343 1HB GLU 41 HB2 GLU 41 79.419 2.574 -4.758 344 2HB GLU 41 HB1 GLU 41 78.222 1.836 -3.692 345 1HG GLU 41 HG2 GLU 41 78.605 -0.262 -4.495 346 2HG GLU 41 HG1 GLU 41 78.820 0.305 -6.152 347 H ALA 42 HN ALA 42 76.197 4.471 -5.127 348 HA ALA 42 HA ALA 42 74.358 3.318 -3.145 349 1HB ALA 42 HB2 ALA 42 75.455 5.627 -3.127 350 2HB ALA 42 HB1 ALA 42 74.360 6.061 -4.440 351 3HB ALA 42 HB3 ALA 42 73.712 5.624 -2.858 352 H GLU 43 HN GLU 43 74.365 4.212 -6.529 353 HA GLU 43 HA GLU 43 71.681 4.516 -7.194 354 1HB GLU 43 HB2 GLU 43 73.545 4.647 -8.763 355 2HB GLU 43 HB1 GLU 43 73.893 2.932 -8.542 356 1HG GLU 43 HG2 GLU 43 71.110 3.536 -9.336 357 2HG GLU 43 HG1 GLU 43 72.326 3.929 -10.551 358 H ALA 44 HN ALA 44 73.414 1.541 -6.358 359 HA ALA 44 HA ALA 44 71.199 -0.266 -6.972 360 1HB ALA 44 HB2 ALA 44 73.881 -0.500 -6.592 361 2HB ALA 44 HB1 ALA 44 73.311 -0.967 -4.989 362 3HB ALA 44 HB3 ALA 44 72.770 -1.858 -6.412 363 H LYS 45 HN LYS 45 72.393 1.441 -4.074 364 HA LYS 45 HA LYS 45 70.879 0.147 -2.099 365 1HB LYS 45 HB2 LYS 45 72.308 2.590 -2.445 366 2HB LYS 45 HB1 LYS 45 70.754 2.982 -1.693 367 1HG LYS 45 HG2 LYS 45 71.484 2.156 0.261 368 2HG LYS 45 HG1 LYS 45 71.740 0.583 -0.500 369 1HD LYS 45 HD2 LYS 45 73.791 2.494 -1.274 370 2HD LYS 45 HD1 LYS 45 73.731 2.276 0.476 371 1HE LYS 45 HE2 LYS 45 73.645 -0.273 -0.057 372 2HE LYS 45 HE1 LYS 45 74.239 0.203 -1.660 373 1HZ LYS 45 HZ1 LYS 45 75.467 1.166 0.860 374 2HZ LYS 45 HZ3 LYS 45 76.007 -0.229 0.061 375 3HZ LYS 45 HZ2 LYS 45 76.094 1.279 -0.715 376 H PHE 46 HN PHE 46 69.818 2.229 -4.711 377 HA PHE 46 HA PHE 46 67.218 2.931 -3.739 378 1HB PHE 46 HB2 PHE 46 68.507 2.442 -6.427 379 2HB PHE 46 HB1 PHE 46 66.780 2.778 -6.339 380 HD1 PHE 46 HD2 PHE 46 68.508 4.308 -3.625 381 HD2 PHE 46 HD1 PHE 46 67.602 4.801 -7.796 382 HE1 PHE 46 HE2 PHE 46 68.986 6.733 -3.443 383 HE2 PHE 46 HE1 PHE 46 68.081 7.227 -7.613 384 HZ PHE 46 HZ PHE 46 68.773 8.192 -5.436 385 H LYS 47 HN LYS 47 68.605 -0.013 -4.972 386 HA LYS 47 HA LYS 47 66.127 -1.411 -5.339 387 1HB LYS 47 HB2 LYS 47 67.576 -3.132 -6.072 388 2HB LYS 47 HB1 LYS 47 68.567 -1.707 -6.357 389 1HG LYS 47 HG2 LYS 47 70.130 -2.490 -4.967 390 2HG LYS 47 HG1 LYS 47 68.967 -2.610 -3.649 391 1HD LYS 47 HD2 LYS 47 68.989 -4.641 -5.858 392 2HD LYS 47 HD1 LYS 47 70.110 -4.781 -4.503 393 1HE LYS 47 HE2 LYS 47 67.753 -4.276 -3.191 394 2HE LYS 47 HE1 LYS 47 67.194 -5.238 -4.576 395 1HZ LYS 47 HZ1 LYS 47 69.436 -6.529 -3.926 396 2HZ LYS 47 HZ3 LYS 47 68.952 -6.000 -2.389 397 3HZ LYS 47 HZ2 LYS 47 67.905 -6.958 -3.324 398 H GLU 48 HN GLU 48 68.085 -0.473 -2.721 399 HA GLU 48 HA GLU 48 67.137 -2.617 -0.969 400 1HB GLU 48 HB2 GLU 48 69.012 -0.267 -0.664 401 2HB GLU 48 HB1 GLU 48 68.581 -1.304 0.696 402 1HG GLU 48 HG2 GLU 48 69.365 -2.852 -1.648 403 2HG GLU 48 HG1 GLU 48 70.647 -1.760 -1.120 404 H ILE 49 HN ILE 49 66.690 0.829 -1.537 405 HA ILE 49 HA ILE 49 64.523 0.831 0.531 406 HB ILE 49 HB ILE 49 66.063 3.074 -0.798 407 1HG1 ILE 49 HG12 ILE 49 66.611 3.019 1.941 408 2HG1 ILE 49 HG11 ILE 49 66.694 1.327 1.431 409 1HG2 ILE 49 HG23 ILE 49 63.643 3.368 0.132 410 2HG2 ILE 49 HG22 ILE 49 64.435 3.292 1.707 411 3HG2 ILE 49 HG21 ILE 49 64.884 4.549 0.554 412 1HD1 ILE 49 HD13 ILE 49 67.915 3.309 -0.399 413 2HD1 ILE 49 HD12 ILE 49 68.755 3.040 1.128 414 3HD1 ILE 49 HD11 ILE 49 68.461 1.690 0.033 415 H LYS 50 HN LYS 50 65.406 1.888 -2.768 416 HA LYS 50 HA LYS 50 62.739 2.887 -3.261 417 1HB LYS 50 HB2 LYS 50 65.220 3.201 -4.381 418 2HB LYS 50 HB1 LYS 50 64.472 2.104 -5.544 419 1HG LYS 50 HG2 LYS 50 62.471 3.695 -5.547 420 2HG LYS 50 HG1 LYS 50 63.503 4.836 -4.683 421 1HD LYS 50 HD2 LYS 50 64.257 5.505 -6.701 422 2HD LYS 50 HD1 LYS 50 65.095 3.956 -6.800 423 1HE LYS 50 HE2 LYS 50 62.792 3.045 -7.664 424 2HE LYS 50 HE1 LYS 50 62.458 4.751 -8.020 425 1HZ LYS 50 HZ1 LYS 50 65.010 3.461 -8.783 426 2HZ LYS 50 HZ3 LYS 50 63.661 3.437 -9.812 427 3HZ LYS 50 HZ2 LYS 50 64.355 4.920 -9.357 428 H GLU 51 HN GLU 51 64.346 -0.220 -3.481 429 HA GLU 51 HA GLU 51 62.176 -1.342 -5.179 430 1HB GLU 51 HB2 GLU 51 64.148 -2.363 -5.759 431 2HB GLU 51 HB1 GLU 51 64.877 -1.932 -4.233 432 1HG GLU 51 HG2 GLU 51 64.775 -4.309 -4.238 433 2HG GLU 51 HG1 GLU 51 63.488 -3.776 -3.162 434 H ALA 52 HN ALA 52 63.291 -1.125 -1.883 435 HA ALA 52 HA ALA 52 61.352 -3.070 -0.797 436 1HB ALA 52 HB2 ALA 52 63.425 -1.160 0.318 437 2HB ALA 52 HB1 ALA 52 62.439 -2.193 1.345 438 3HB ALA 52 HB3 ALA 52 63.558 -2.915 0.189 439 H TYR 53 HN TYR 53 62.102 0.367 -0.286 440 HA TYR 53 HA TYR 53 59.603 0.988 1.008 441 1HB TYR 53 HB2 TYR 53 60.892 2.741 1.579 442 2HB TYR 53 HB1 TYR 53 62.168 2.063 0.599 443 HD1 TYR 53 HD1 TYR 53 61.246 2.514 -2.152 444 HD2 TYR 53 HD2 TYR 53 60.899 5.022 1.313 445 HE1 TYR 53 HE1 TYR 53 61.234 4.511 -3.604 446 HE2 TYR 53 HE2 TYR 53 60.870 7.023 -0.139 447 HH TYR 53 HH TYR 53 60.660 6.758 -3.630 448 H GLU 54 HN GLU 54 60.207 0.272 -2.190 449 HA GLU 54 HA GLU 54 58.696 2.274 -3.586 450 1HB GLU 54 HB2 GLU 54 59.702 1.005 -5.177 451 2HB GLU 54 HB1 GLU 54 59.948 -0.322 -4.047 452 1HG GLU 54 HG2 GLU 54 57.693 -1.153 -4.471 453 2HG GLU 54 HG1 GLU 54 57.342 0.238 -5.498 454 H VAL 55 HN VAL 55 57.798 -0.582 -1.725 455 HA VAL 55 HA VAL 55 54.957 -0.176 -2.498 456 HB VAL 55 HB VAL 55 54.882 -2.424 -2.458 457 1HG1 VAL 55 HG13 VAL 55 57.416 -2.129 -2.892 458 2HG1 VAL 55 HG12 VAL 55 57.600 -2.726 -1.242 459 3HG1 VAL 55 HG11 VAL 55 56.805 -3.724 -2.459 460 1HG2 VAL 55 HG23 VAL 55 55.709 -2.066 0.420 461 2HG2 VAL 55 HG22 VAL 55 54.121 -2.488 -0.219 462 3HG2 VAL 55 HG21 VAL 55 55.429 -3.661 -0.267 463 H LEU 56 HN LEU 56 57.008 0.979 -0.245 464 HA LEU 56 HA LEU 56 55.409 0.722 2.174 465 1HB LEU 56 HB2 LEU 56 57.855 2.031 1.150 466 2HB LEU 56 HB1 LEU 56 57.096 2.825 2.536 467 HG LEU 56 HG LEU 56 57.185 0.765 3.824 468 1HD1 LEU 56 HD13 LEU 56 56.824 -0.659 1.707 469 2HD1 LEU 56 HD12 LEU 56 58.572 -0.573 1.505 470 3HD1 LEU 56 HD11 LEU 56 57.887 -1.319 2.948 471 1HD2 LEU 56 HD23 LEU 56 59.578 1.958 2.621 472 2HD2 LEU 56 HD22 LEU 56 59.250 1.568 4.308 473 3HD2 LEU 56 HD21 LEU 56 59.848 0.319 3.216 474 H THR 57 HN THR 57 54.825 2.324 -0.661 475 HA THR 57 HA THR 57 53.458 4.636 0.673 476 HB THR 57 HB THR 57 54.487 5.868 -0.944 477 HG1 THR 57 HG1 THR 57 53.934 5.316 -3.179 478 1HG2 THR 57 HG23 THR 57 56.240 4.065 -0.898 479 2HG2 THR 57 HG22 THR 57 55.407 3.283 -2.241 480 3HG2 THR 57 HG21 THR 57 56.117 4.883 -2.457 481 H ASP 58 HN ASP 58 53.134 1.816 -1.323 482 HA ASP 58 HA ASP 58 50.330 2.467 -2.067 483 1HB ASP 58 HB2 ASP 58 52.212 1.557 -3.593 484 2HB ASP 58 HB1 ASP 58 51.965 0.016 -2.763 485 H SER 59 HN SER 59 48.718 0.653 -1.770 486 HA SER 59 HA SER 59 49.150 -0.714 0.863 487 1HB SER 59 HB2 SER 59 46.454 -0.792 0.294 488 2HB SER 59 HB1 SER 59 47.238 0.471 1.238 489 HG SER 59 HG SER 59 46.752 0.452 -1.562 490 H GLN 60 HN GLN 60 48.181 -1.138 -2.497 491 HA GLN 60 HA GLN 60 47.239 -3.847 -2.374 492 1HB GLN 60 HB2 GLN 60 47.635 -3.724 -4.802 493 2HB GLN 60 HB1 GLN 60 46.948 -2.200 -4.230 494 1HG GLN 60 HG2 GLN 60 49.476 -1.532 -3.891 495 2HG GLN 60 HG1 GLN 60 49.765 -2.803 -5.079 496 1HE2 GLN 60 HE22 GLN 60 47.550 0.466 -6.265 497 2HE2 GLN 60 HE21 GLN 60 47.491 -0.026 -4.642 498 H LYS 61 HN LYS 61 50.448 -2.422 -2.511 499 HA LYS 61 HA LYS 61 51.781 -4.957 -3.145 500 1HB LYS 61 HB2 LYS 61 53.039 -2.385 -2.185 501 2HB LYS 61 HB1 LYS 61 53.702 -3.578 -3.300 502 1HG LYS 61 HG2 LYS 61 51.926 -2.949 -4.952 503 2HG LYS 61 HG1 LYS 61 51.406 -1.671 -3.852 504 1HD LYS 61 HD2 LYS 61 53.046 -0.309 -4.574 505 2HD LYS 61 HD1 LYS 61 54.268 -1.533 -4.223 506 1HE LYS 61 HE2 LYS 61 54.094 -2.495 -6.391 507 2HE LYS 61 HE1 LYS 61 52.544 -1.691 -6.710 508 1HZ LYS 61 HZ3 LYS 61 53.881 0.446 -6.265 509 2HZ LYS 61 HZ2 LYS 61 55.247 -0.515 -6.581 510 3HZ LYS 61 HZ1 LYS 61 54.053 -0.313 -7.772 511 H ARG 62 HN ARG 62 51.475 -2.697 -0.403 512 HA ARG 62 HA ARG 62 53.089 -3.916 1.509 513 1HB ARG 62 HB2 ARG 62 50.311 -2.704 1.705 514 2HB ARG 62 HB1 ARG 62 51.321 -3.046 3.110 515 1HG ARG 62 HG2 ARG 62 52.205 -1.307 0.796 516 2HG ARG 62 HG1 ARG 62 51.486 -0.672 2.277 517 1HD ARG 62 HD2 ARG 62 54.070 -2.256 2.043 518 2HD ARG 62 HD1 ARG 62 53.889 -0.567 2.559 519 HE ARG 62 HE ARG 62 53.470 -2.855 4.250 520 1HH1 ARG 62 HH21 ARG 62 52.625 0.404 3.588 521 2HH1 ARG 62 HH22 ARG 62 51.710 0.610 5.043 522 1HH2 ARG 62 HH11 ARG 62 52.089 -2.681 6.063 523 2HH2 ARG 62 HH12 ARG 62 51.407 -1.136 6.444 524 H ALA 63 HN ALA 63 50.088 -5.033 0.101 525 HA ALA 63 HA ALA 63 49.699 -7.209 2.050 526 1HB ALA 63 HB3 ALA 63 48.410 -6.199 -0.481 527 2HB ALA 63 HB2 ALA 63 47.992 -7.801 0.127 528 3HB ALA 63 HB1 ALA 63 47.699 -6.376 1.123 529 H ALA 64 HN ALA 64 50.984 -6.682 -1.187 530 HA ALA 64 HA ALA 64 51.546 -9.508 -1.739 531 1HB ALA 64 HB3 ALA 64 51.964 -6.805 -2.963 532 2HB ALA 64 HB2 ALA 64 53.045 -8.095 -3.489 533 3HB ALA 64 HB1 ALA 64 51.302 -8.265 -3.698 534 H TYR 65 HN TYR 65 53.611 -6.646 -1.415 535 HA TYR 65 HA TYR 65 56.069 -7.977 -0.972 536 1HB TYR 65 HB2 TYR 65 54.907 -5.372 -0.989 537 2HB TYR 65 HB1 TYR 65 55.869 -5.507 0.478 538 HD1 TYR 65 HD2 TYR 65 56.197 -6.791 -3.037 539 HD2 TYR 65 HD1 TYR 65 58.023 -4.677 0.225 540 HE1 TYR 65 HE2 TYR 65 58.273 -6.525 -4.371 541 HE2 TYR 65 HE1 TYR 65 60.099 -4.412 -1.108 542 HH TYR 65 HH TYR 65 60.615 -4.364 -3.709 543 H ASP 66 HN ASP 66 53.315 -7.545 1.069 544 HA ASP 66 HA ASP 66 54.399 -7.481 3.639 545 1HB ASP 66 HB2 ASP 66 52.165 -7.611 4.008 546 2HB ASP 66 HB1 ASP 66 51.925 -8.074 2.328 547 H GLN 67 HN GLN 67 54.102 -10.216 1.395 548 HA GLN 67 HA GLN 67 55.974 -11.757 3.157 549 1HB GLN 67 HB2 GLN 67 54.449 -13.746 2.640 550 2HB GLN 67 HB1 GLN 67 53.789 -12.529 3.735 551 1HG GLN 67 HG2 GLN 67 52.408 -11.595 2.060 552 2HG GLN 67 HG1 GLN 67 53.317 -12.368 0.760 553 1HE2 GLN 67 HE22 GLN 67 51.174 -15.053 3.001 554 2HE2 GLN 67 HE21 GLN 67 52.215 -13.955 3.769 555 H TYR 68 HN TYR 68 55.262 -10.636 0.045 556 HA TYR 68 HA TYR 68 56.675 -12.925 -1.262 557 1HB TYR 68 HB2 TYR 68 54.466 -11.161 -1.898 558 2HB TYR 68 HB1 TYR 68 55.698 -11.079 -3.161 559 HD1 TYR 68 HD1 TYR 68 55.015 -14.010 -0.980 560 HD2 TYR 68 HD2 TYR 68 54.585 -12.295 -4.895 561 HE1 TYR 68 HE1 TYR 68 54.261 -16.205 -1.858 562 HE2 TYR 68 HE2 TYR 68 53.833 -14.489 -5.772 563 HH TYR 68 HH TYR 68 52.751 -16.932 -3.928 564 H GLY 69 HN GLY 69 57.817 -11.803 -3.415 565 1HA GLY 69 HA2 GLY 69 59.066 -9.327 -3.339 566 2HA GLY 69 HA1 GLY 69 60.072 -10.346 -2.308 567 H HIS 70 HN HIS 70 58.476 -10.555 -5.517 568 HA HIS 70 HA HIS 70 59.383 -11.237 -7.591 569 1HB HIS 70 HB2 HIS 70 61.523 -10.191 -6.004 570 2HB HIS 70 HB1 HIS 70 62.118 -11.604 -6.874 571 HD1 HIS 70 HD1 HIS 70 60.657 -11.425 -9.509 572 HD2 HIS 70 HD2 HIS 70 62.254 -8.067 -7.625 573 HE1 HIS 70 HE1 HIS 70 61.004 -9.686 -11.318 574 H ALA 71 HN ALA 71 58.233 -13.296 -7.082 575 HA ALA 71 HA ALA 71 58.196 -15.656 -6.848 576 1HB ALA 71 HB3 ALA 71 60.813 -14.849 -8.081 577 2HB ALA 71 HB2 ALA 71 60.513 -16.553 -7.740 578 3HB ALA 71 HB1 ALA 71 59.440 -15.669 -8.827 579 H ALA 72 HN ALA 72 59.288 -13.914 -4.568 580 HA ALA 72 HA ALA 72 61.427 -14.801 -3.129 581 1HB ALA 72 HB1 ALA 72 59.218 -13.361 -2.604 582 2HB ALA 72 HB3 ALA 72 58.816 -14.813 -1.690 583 3HB ALA 72 HB2 ALA 72 60.293 -13.922 -1.325 584 H PHE 73 HN PHE 73 58.289 -16.550 -3.180 585 HA PHE 73 HA PHE 73 59.608 -18.893 -1.907 586 1HB PHE 73 HB2 PHE 73 57.034 -17.653 -1.902 587 2HB PHE 73 HB1 PHE 73 56.841 -19.284 -2.544 588 HD1 PHE 73 HD1 PHE 73 59.081 -20.670 -1.117 589 HD2 PHE 73 HD2 PHE 73 56.153 -17.860 0.296 590 HE1 PHE 73 HE1 PHE 73 59.291 -21.598 1.173 591 HE2 PHE 73 HE2 PHE 73 56.366 -18.790 2.585 592 HZ PHE 73 HZ PHE 73 57.936 -20.658 3.023 593 H GLU 74 HN GLU 74 57.082 -18.765 -4.421 594 HA GLU 74 HA GLU 74 56.991 -19.788 -6.554 595 1HB GLU 74 HB2 GLU 74 59.662 -18.972 -6.088 596 2HB GLU 74 HB1 GLU 74 59.757 -20.608 -6.743 597 1HG GLU 74 HG2 GLU 74 58.373 -18.212 -7.974 598 2HG GLU 74 HG1 GLU 74 59.745 -19.111 -8.624 599 H GLN 75 HN GLN 75 59.533 -21.566 -4.743 600 HA GLN 75 HA GLN 75 58.643 -24.157 -5.619 601 1HB GLN 75 HB2 GLN 75 60.389 -23.104 -3.386 602 2HB GLN 75 HB1 GLN 75 60.147 -24.833 -3.640 603 1HG GLN 75 HG2 GLN 75 61.564 -24.856 -5.395 604 2HG GLN 75 HG1 GLN 75 60.764 -23.469 -6.137 605 1HE2 GLN 75 HE22 GLN 75 64.191 -22.926 -4.019 606 2HE2 GLN 75 HE21 GLN 75 63.488 -24.463 -4.169 607 H GLY 76 HN GLY 76 58.779 -23.300 -2.177 608 1HA GLY 76 HA2 GLY 76 56.751 -25.049 -1.344 609 2HA GLY 76 HA1 GLY 76 57.194 -23.586 -0.463 610 H GLY 77 HN GLY 77 56.459 -22.034 -3.019 611 1HA GLY 77 HA2 GLY 77 54.357 -21.516 -4.166 612 2HA GLY 77 HA1 GLY 77 53.493 -22.287 -2.835 No H/Q in entry = 612 Start of MODEL 18 1 1H ALA 1 HT1 ALA 1 68.489 -15.461 6.557 2 2H ALA 1 HT3 ALA 1 69.626 -15.191 5.327 3 3H ALA 1 HT2 ALA 1 70.086 -15.037 6.955 4 HA ALA 1 HA ALA 1 69.250 -12.961 7.153 5 1HB ALA 1 HB2 ALA 1 69.471 -13.443 4.164 6 2HB ALA 1 HB1 ALA 1 69.394 -11.842 4.898 7 3HB ALA 1 HB3 ALA 1 70.758 -12.905 5.244 8 H LYS 2 HN LYS 2 67.232 -12.266 7.731 9 HA LYS 2 HA LYS 2 64.999 -12.505 5.780 10 1HB LYS 2 HB2 LYS 2 65.304 -14.491 7.497 11 2HB LYS 2 HB1 LYS 2 64.571 -13.354 8.630 12 1HG LYS 2 HG2 LYS 2 63.224 -13.557 6.003 13 2HG LYS 2 HG1 LYS 2 63.132 -15.003 7.008 14 1HD LYS 2 HD2 LYS 2 62.477 -13.361 8.919 15 2HD LYS 2 HD1 LYS 2 62.133 -12.226 7.613 16 1HE LYS 2 HE2 LYS 2 61.013 -15.002 7.401 17 2HE LYS 2 HE1 LYS 2 60.223 -13.846 8.491 18 1HZ LYS 2 HZ3 LYS 2 61.024 -13.035 5.770 19 2HZ LYS 2 HZ2 LYS 2 59.551 -13.844 6.020 20 3HZ LYS 2 HZ1 LYS 2 59.847 -12.352 6.779 21 H GLN 3 HN GLN 3 65.924 -10.086 6.107 22 HA GLN 3 HA GLN 3 64.506 -8.799 8.411 23 1HB GLN 3 HB2 GLN 3 66.633 -7.718 6.536 24 2HB GLN 3 HB1 GLN 3 66.090 -6.986 8.046 25 1HG GLN 3 HG2 GLN 3 66.802 -9.611 8.732 26 2HG GLN 3 HG1 GLN 3 68.072 -9.064 7.636 27 1HE2 GLN 3 HE22 GLN 3 68.599 -7.912 11.277 28 2HE2 GLN 3 HE21 GLN 3 68.071 -9.413 10.685 29 H ASP 4 HN ASP 4 62.640 -7.793 7.941 30 HA ASP 4 HA ASP 4 61.414 -7.579 5.418 31 1HB ASP 4 HB2 ASP 4 60.438 -7.348 7.726 32 2HB ASP 4 HB1 ASP 4 61.151 -5.737 7.815 33 H TYR 5 HN TYR 5 60.929 -5.450 4.245 34 HA TYR 5 HA TYR 5 63.457 -3.902 3.981 35 1HB TYR 5 HB2 TYR 5 61.457 -3.141 2.061 36 2HB TYR 5 HB1 TYR 5 62.988 -3.964 1.783 37 HD1 TYR 5 HD2 TYR 5 59.368 -4.418 2.384 38 HD2 TYR 5 HD1 TYR 5 63.097 -6.362 1.512 39 HE1 TYR 5 HE2 TYR 5 58.147 -6.486 1.767 40 HE2 TYR 5 HE1 TYR 5 61.878 -8.427 0.893 41 HH TYR 5 HH TYR 5 59.745 -9.491 1.290 42 H TYR 6 HN TYR 6 60.573 -3.652 5.628 43 HA TYR 6 HA TYR 6 60.085 -0.784 5.270 44 1HB TYR 6 HB2 TYR 6 58.536 -2.805 5.928 45 2HB TYR 6 HB1 TYR 6 59.112 -2.456 7.556 46 HD1 TYR 6 HD1 TYR 6 59.454 0.642 6.468 47 HD2 TYR 6 HD2 TYR 6 56.257 -2.196 6.897 48 HE1 TYR 6 HE1 TYR 6 57.829 2.503 6.672 49 HE2 TYR 6 HE2 TYR 6 54.634 -0.334 7.096 50 HH TYR 6 HH TYR 6 55.668 2.981 7.421 51 H GLU 7 HN GLU 7 62.091 -2.826 7.207 52 HA GLU 7 HA GLU 7 62.627 -0.742 9.227 53 1HB GLU 7 HB2 GLU 7 63.783 -3.501 8.681 54 2HB GLU 7 HB1 GLU 7 64.158 -2.520 10.099 55 1HG GLU 7 HG2 GLU 7 61.394 -2.511 10.077 56 2HG GLU 7 HG1 GLU 7 61.783 -4.143 9.530 57 H ILE 8 HN ILE 8 64.056 -2.162 6.341 58 HA ILE 8 HA ILE 8 66.716 -1.318 6.466 59 HB ILE 8 HB ILE 8 64.762 -2.195 4.533 60 1HG1 ILE 8 HG12 ILE 8 67.122 -2.725 3.377 61 2HG1 ILE 8 HG11 ILE 8 67.705 -2.324 4.994 62 1HG2 ILE 8 HG23 ILE 8 64.983 0.095 3.582 63 2HG2 ILE 8 HG22 ILE 8 66.727 -0.139 3.468 64 3HG2 ILE 8 HG21 ILE 8 65.639 -1.138 2.504 65 1HD1 ILE 8 HD13 ILE 8 65.335 -4.085 4.943 66 2HD1 ILE 8 HD12 ILE 8 66.797 -4.798 4.264 67 3HD1 ILE 8 HD11 ILE 8 66.799 -4.196 5.920 68 H LEU 9 HN LEU 9 63.825 0.628 5.783 69 HA LEU 9 HA LEU 9 65.408 2.995 5.044 70 1HB LEU 9 HB2 LEU 9 62.475 2.445 5.583 71 2HB LEU 9 HB1 LEU 9 63.091 4.000 5.021 72 HG LEU 9 HG LEU 9 64.114 1.770 3.437 73 1HD1 LEU 9 HD11 LEU 9 61.127 2.276 3.502 74 2HD1 LEU 9 HD13 LEU 9 61.964 1.291 2.303 75 3HD1 LEU 9 HD12 LEU 9 61.929 0.784 3.992 76 1HD2 LEU 9 HD22 LEU 9 64.135 4.267 2.940 77 2HD2 LEU 9 HD21 LEU 9 63.546 3.245 1.630 78 3HD2 LEU 9 HD23 LEU 9 62.402 4.136 2.633 79 H GLY 10 HN GLY 10 65.455 1.630 7.874 80 1HA GLY 10 HA2 GLY 10 65.632 2.381 10.088 81 2HA GLY 10 HA1 GLY 10 65.899 3.985 9.398 82 H VAL 11 HN VAL 11 62.992 2.452 8.434 83 HA VAL 11 HA VAL 11 61.387 4.482 9.830 84 HB VAL 11 HB VAL 11 60.504 2.113 8.162 85 1HG1 VAL 11 HG13 VAL 11 59.277 4.631 9.177 86 2HG1 VAL 11 HG12 VAL 11 58.813 4.104 7.561 87 3HG1 VAL 11 HG11 VAL 11 58.552 3.042 8.941 88 1HG2 VAL 11 HG22 VAL 11 62.328 3.693 7.149 89 2HG2 VAL 11 HG21 VAL 11 60.897 3.316 6.192 90 3HG2 VAL 11 HG23 VAL 11 61.008 4.858 7.041 91 H SER 12 HN SER 12 59.260 3.587 10.833 92 HA SER 12 HA SER 12 59.993 1.519 12.815 93 1HB SER 12 HB2 SER 12 59.102 3.728 13.523 94 2HB SER 12 HB1 SER 12 57.634 3.402 12.607 95 HG SER 12 HG SER 12 57.156 2.713 14.611 96 H LYS 13 HN LYS 13 58.930 1.361 9.831 97 HA LYS 13 HA LYS 13 57.354 0.128 8.620 98 1HB LYS 13 HB2 LYS 13 57.846 -2.093 8.892 99 2HB LYS 13 HB1 LYS 13 59.095 -1.425 9.938 100 1HG LYS 13 HG2 LYS 13 57.558 -1.693 11.894 101 2HG LYS 13 HG1 LYS 13 56.373 -2.441 10.825 102 1HD LYS 13 HD2 LYS 13 57.525 -4.403 10.707 103 2HD LYS 13 HD1 LYS 13 59.094 -3.595 10.688 104 1HE LYS 13 HE2 LYS 13 59.021 -3.250 13.090 105 2HE LYS 13 HE1 LYS 13 57.355 -3.857 13.167 106 1HZ LYS 13 HZ2 LYS 13 59.381 -5.524 11.864 107 2HZ LYS 13 HZ1 LYS 13 59.386 -5.457 13.561 108 3HZ LYS 13 HZ3 LYS 13 58.001 -5.987 12.738 109 H THR 14 HN THR 14 56.411 1.762 10.942 110 HA THR 14 HA THR 14 53.642 0.696 11.024 111 HB THR 14 HB THR 14 53.716 1.502 13.498 112 HG1 THR 14 HG1 THR 14 55.785 2.514 13.208 113 1HG2 THR 14 HG23 THR 14 55.286 -0.929 12.605 114 2HG2 THR 14 HG22 THR 14 54.680 -0.668 14.240 115 3HG2 THR 14 HG21 THR 14 53.550 -0.858 12.900 116 H ALA 15 HN ALA 15 55.623 3.026 10.021 117 HA ALA 15 HA ALA 15 54.244 5.429 10.987 118 1HB ALA 15 HB2 ALA 15 56.737 5.177 10.558 119 2HB ALA 15 HB1 ALA 15 56.359 5.024 8.842 120 3HB ALA 15 HB3 ALA 15 55.995 6.524 9.695 121 H GLU 16 HN GLU 16 54.651 6.707 8.390 122 HA GLU 16 HA GLU 16 52.802 5.344 6.542 123 1HB GLU 16 HB2 GLU 16 52.254 7.986 7.944 124 2HB GLU 16 HB1 GLU 16 51.327 7.402 6.558 125 1HG GLU 16 HG2 GLU 16 51.619 5.963 9.211 126 2HG GLU 16 HG1 GLU 16 50.188 6.832 8.664 127 H GLU 17 HN GLU 17 52.526 8.330 5.567 128 HA GLU 17 HA GLU 17 54.899 8.230 3.817 129 1HB GLU 17 HB2 GLU 17 52.172 9.201 3.761 130 2HB GLU 17 HB1 GLU 17 53.284 10.487 3.290 131 1HG GLU 17 HG2 GLU 17 54.337 8.972 1.645 132 2HG GLU 17 HG1 GLU 17 53.201 7.700 2.098 133 H ARG 18 HN ARG 18 54.206 9.557 6.823 134 HA ARG 18 HA ARG 18 55.450 12.165 6.404 135 1HB ARG 18 HB2 ARG 18 54.570 12.591 8.473 136 2HB ARG 18 HB1 ARG 18 53.669 11.110 8.171 137 1HG ARG 18 HG2 ARG 18 56.368 11.109 9.548 138 2HG ARG 18 HG1 ARG 18 54.852 11.264 10.429 139 1HD ARG 18 HD2 ARG 18 54.900 9.044 8.473 140 2HD ARG 18 HD1 ARG 18 55.999 8.856 9.855 141 HE ARG 18 HE ARG 18 53.187 9.696 10.372 142 1HH1 ARG 18 HH21 ARG 18 55.808 8.433 11.883 143 2HH1 ARG 18 HH22 ARG 18 55.026 7.029 12.530 144 1HH2 ARG 18 HH11 ARG 18 52.143 7.443 10.652 145 2HH2 ARG 18 HH12 ARG 18 52.950 6.470 11.836 146 H GLU 19 HN GLU 19 56.569 8.994 7.534 147 HA GLU 19 HA GLU 19 59.227 10.221 8.108 148 1HB GLU 19 HB2 GLU 19 57.673 8.193 9.325 149 2HB GLU 19 HB1 GLU 19 59.082 7.396 8.614 150 1HG GLU 19 HG2 GLU 19 60.493 8.338 10.091 151 2HG GLU 19 HG1 GLU 19 59.768 9.929 9.873 152 H ILE 20 HN ILE 20 57.590 7.846 6.090 153 HA ILE 20 HA ILE 20 59.950 6.828 4.858 154 HB ILE 20 HB ILE 20 57.099 6.604 4.693 155 1HG1 ILE 20 HG12 ILE 20 57.610 4.421 3.898 156 2HG1 ILE 20 HG11 ILE 20 59.152 4.948 3.225 157 1HG2 ILE 20 HG23 ILE 20 57.347 8.000 2.615 158 2HG2 ILE 20 HG22 ILE 20 58.412 6.754 1.963 159 3HG2 ILE 20 HG21 ILE 20 56.723 6.379 2.307 160 1HD1 ILE 20 HD11 ILE 20 58.880 5.477 6.105 161 2HD1 ILE 20 HD13 ILE 20 58.839 3.762 5.692 162 3HD1 ILE 20 HD12 ILE 20 60.218 4.752 5.215 163 H ARG 21 HN ARG 21 58.418 9.898 4.724 164 HA ARG 21 HA ARG 21 59.489 10.556 2.058 165 1HB ARG 21 HB2 ARG 21 58.172 12.536 2.296 166 2HB ARG 21 HB1 ARG 21 57.235 11.279 3.106 167 1HG ARG 21 HG2 ARG 21 58.258 11.964 5.274 168 2HG ARG 21 HG1 ARG 21 59.082 13.281 4.438 169 1HD ARG 21 HD2 ARG 21 56.154 13.115 3.964 170 2HD ARG 21 HD1 ARG 21 56.649 13.588 5.602 171 HE ARG 21 HE ARG 21 58.070 14.935 3.394 172 1HH1 ARG 21 HH21 ARG 21 58.327 16.466 5.679 173 2HH1 ARG 21 HH22 ARG 21 56.955 17.521 5.731 174 1HH2 ARG 21 HH11 ARG 21 55.098 15.652 3.477 175 2HH2 ARG 21 HH12 ARG 21 55.129 17.063 4.481 176 H LYS 22 HN LYS 22 60.327 11.030 5.396 177 HA LYS 22 HA LYS 22 62.548 12.843 4.637 178 1HB LYS 22 HB2 LYS 22 62.624 13.113 7.190 179 2HB LYS 22 HB1 LYS 22 61.188 13.755 6.388 180 1HG LYS 22 HG2 LYS 22 59.846 12.009 7.096 181 2HG LYS 22 HG1 LYS 22 61.210 10.916 7.321 182 1HD LYS 22 HD2 LYS 22 60.559 13.324 9.051 183 2HD LYS 22 HD1 LYS 22 60.344 11.636 9.508 184 1HE LYS 22 HE2 LYS 22 62.892 11.407 8.941 185 2HE LYS 22 HE1 LYS 22 62.907 13.171 9.142 186 1HZ LYS 22 HZ3 LYS 22 61.762 12.872 11.276 187 2HZ LYS 22 HZ2 LYS 22 61.863 11.186 11.097 188 3HZ LYS 22 HZ1 LYS 22 63.277 12.111 11.270 189 H ALA 23 HN ALA 23 61.621 9.711 5.737 190 HA ALA 23 HA ALA 23 64.322 8.960 6.675 191 1HB ALA 23 HB3 ALA 23 62.082 8.122 7.570 192 2HB ALA 23 HB2 ALA 23 61.903 7.230 6.059 193 3HB ALA 23 HB1 ALA 23 63.233 6.853 7.154 194 H TYR 24 HN TYR 24 62.326 8.755 3.799 195 HA TYR 24 HA TYR 24 63.907 6.803 2.362 196 1HB TYR 24 HB2 TYR 24 61.667 7.205 1.673 197 2HB TYR 24 HB1 TYR 24 61.895 8.951 1.677 198 HD1 TYR 24 HD1 TYR 24 62.757 5.810 -0.106 199 HD2 TYR 24 HD2 TYR 24 62.818 10.101 -0.199 200 HE1 TYR 24 HE1 TYR 24 63.393 5.749 -2.502 201 HE2 TYR 24 HE2 TYR 24 63.456 10.042 -2.594 202 HH TYR 24 HH TYR 24 64.369 8.622 -4.217 203 H LYS 25 HN LYS 25 63.619 10.354 2.094 204 HA LYS 25 HA LYS 25 65.904 10.647 0.349 205 1HB LYS 25 HB2 LYS 25 63.774 12.134 0.890 206 2HB LYS 25 HB1 LYS 25 64.846 12.837 2.102 207 1HG LYS 25 HG2 LYS 25 65.511 14.178 0.381 208 2HG LYS 25 HG1 LYS 25 66.501 12.787 -0.064 209 1HD LYS 25 HD2 LYS 25 65.387 12.672 -2.014 210 2HD LYS 25 HD1 LYS 25 63.922 12.285 -1.111 211 1HE LYS 25 HE2 LYS 25 63.059 14.258 -1.823 212 2HE LYS 25 HE1 LYS 25 64.283 15.083 -0.838 213 1HZ LYS 25 HZ1 LYS 25 64.856 13.977 -3.529 214 2HZ LYS 25 HZ3 LYS 25 64.367 15.582 -3.287 215 3HZ LYS 25 HZ2 LYS 25 65.824 15.028 -2.609 216 H ARG 26 HN ARG 26 65.420 10.923 3.896 217 HA ARG 26 HA ARG 26 68.030 12.043 4.440 218 1HB ARG 26 HB2 ARG 26 66.206 12.075 6.056 219 2HB ARG 26 HB1 ARG 26 66.149 10.311 6.075 220 1HG ARG 26 HG2 ARG 26 67.690 10.288 7.706 221 2HG ARG 26 HG1 ARG 26 68.835 11.078 6.621 222 1HD ARG 26 HD2 ARG 26 66.804 12.482 8.397 223 2HD ARG 26 HD1 ARG 26 68.564 12.465 8.623 224 HE ARG 26 HE ARG 26 67.979 13.340 5.963 225 1HH1 ARG 26 HH21 ARG 26 69.505 14.488 8.551 226 2HH1 ARG 26 HH22 ARG 26 68.866 16.097 8.519 227 1HH2 ARG 26 HH11 ARG 26 66.389 15.355 6.211 228 2HH2 ARG 26 HH12 ARG 26 67.100 16.588 7.197 229 H LEU 27 HN LEU 27 66.873 8.674 4.288 230 HA LEU 27 HA LEU 27 69.575 7.636 4.867 231 1HB LEU 27 HB2 LEU 27 66.880 6.784 5.062 232 2HB LEU 27 HB1 LEU 27 67.692 5.683 3.953 233 HG LEU 27 HG LEU 27 68.455 6.348 6.803 234 1HD1 LEU 27 HD12 LEU 27 66.799 4.434 5.869 235 2HD1 LEU 27 HD11 LEU 27 68.337 3.587 5.708 236 3HD1 LEU 27 HD13 LEU 27 67.827 4.195 7.283 237 1HD2 LEU 27 HD22 LEU 27 70.136 5.554 4.525 238 2HD2 LEU 27 HD21 LEU 27 70.612 6.164 6.110 239 3HD2 LEU 27 HD23 LEU 27 70.257 4.450 5.895 240 H ALA 28 HN ALA 28 67.532 8.219 2.060 241 HA ALA 28 HA ALA 28 68.947 6.425 0.276 242 1HB ALA 28 HB2 ALA 28 67.217 8.879 -0.095 243 2HB ALA 28 HB1 ALA 28 67.817 7.909 -1.440 244 3HB ALA 28 HB3 ALA 28 66.725 7.193 -0.255 245 H MET 29 HN MET 29 69.247 9.785 1.286 246 HA MET 29 HA MET 29 71.098 10.788 -0.575 247 1HB MET 29 HB2 MET 29 70.064 11.942 1.372 248 2HB MET 29 HB1 MET 29 71.123 11.016 2.437 249 1HG MET 29 HG2 MET 29 72.986 12.221 1.870 250 2HG MET 29 HG1 MET 29 72.444 12.474 0.212 251 1HE MET 29 HE1 MET 29 72.740 13.237 3.572 252 2HE MET 29 HE3 MET 29 72.974 14.984 3.426 253 3HE MET 29 HE2 MET 29 71.469 14.345 4.080 254 H LYS 30 HN LYS 30 71.588 8.865 2.320 255 HA LYS 30 HA LYS 30 74.368 8.560 2.402 256 1HB LYS 30 HB2 LYS 30 71.930 7.329 3.358 257 2HB LYS 30 HB1 LYS 30 73.134 6.090 2.992 258 1HG LYS 30 HG2 LYS 30 73.858 6.583 5.111 259 2HG LYS 30 HG1 LYS 30 74.716 7.868 4.264 260 1HD LYS 30 HD2 LYS 30 71.998 8.685 4.840 261 2HD LYS 30 HD1 LYS 30 72.818 8.180 6.319 262 1HE LYS 30 HE2 LYS 30 74.307 9.953 4.407 263 2HE LYS 30 HE1 LYS 30 73.075 10.676 5.459 264 1HZ LYS 30 HZ1 LYS 30 75.026 8.754 6.551 265 2HZ LYS 30 HZ3 LYS 30 75.455 10.385 6.375 266 3HZ LYS 30 HZ2 LYS 30 74.142 9.955 7.363 267 H TYR 31 HN TYR 31 72.063 7.427 0.089 268 HA TYR 31 HA TYR 31 74.182 5.686 -1.149 269 1HB TYR 31 HB2 TYR 31 71.177 5.305 -1.169 270 2HB TYR 31 HB1 TYR 31 72.394 4.156 -1.741 271 HD1 TYR 31 HD1 TYR 31 74.271 3.545 0.023 272 HD2 TYR 31 HD2 TYR 31 70.395 5.101 1.022 273 HE1 TYR 31 HE1 TYR 31 74.503 2.641 2.322 274 HE2 TYR 31 HE2 TYR 31 70.623 4.195 3.320 275 HH TYR 31 HH TYR 31 72.457 1.930 4.232 276 H HIS 32 HN HIS 32 71.543 7.987 -1.760 277 HA HIS 32 HA HIS 32 70.920 8.078 -4.350 278 1HB HIS 32 HB2 HIS 32 71.542 9.999 -2.325 279 2HB HIS 32 HB1 HIS 32 72.135 10.620 -3.868 280 HD1 HIS 32 HD1 HIS 32 70.383 12.065 -4.882 281 HD2 HIS 32 HD2 HIS 32 68.713 8.735 -3.011 282 HE1 HIS 32 HE1 HIS 32 67.886 12.187 -5.295 283 HA PRO 33 HA PRO 33 75.100 7.241 -6.060 284 1HB PRO 33 HB2 PRO 33 74.081 6.122 -8.353 285 2HB PRO 33 HB1 PRO 33 74.313 5.215 -6.843 286 1HG PRO 33 HG2 PRO 33 71.837 6.526 -7.890 287 2HG PRO 33 HG1 PRO 33 72.046 4.895 -7.223 288 1HD PRO 33 HD2 PRO 33 71.060 6.831 -5.709 289 2HD PRO 33 HD1 PRO 33 72.235 5.677 -5.033 290 H ASP 34 HN ASP 34 72.301 8.967 -7.297 291 HA ASP 34 HA ASP 34 73.122 10.059 -9.709 292 1HB ASP 34 HB2 ASP 34 71.028 10.590 -8.529 293 2HB ASP 34 HB1 ASP 34 71.931 11.454 -7.285 294 H ARG 35 HN ARG 35 74.203 10.937 -6.456 295 HA ARG 35 HA ARG 35 76.373 12.644 -7.572 296 1HB ARG 35 HB2 ARG 35 76.261 13.685 -5.429 297 2HB ARG 35 HB1 ARG 35 74.582 13.381 -5.846 298 1HG ARG 35 HG2 ARG 35 74.739 11.222 -4.550 299 2HG ARG 35 HG1 ARG 35 76.342 11.718 -4.010 300 1HD ARG 35 HD2 ARG 35 73.801 13.334 -3.568 301 2HD ARG 35 HD1 ARG 35 74.596 12.329 -2.340 302 HE ARG 35 HE ARG 35 76.676 13.860 -3.173 303 1HH1 ARG 35 HH11 ARG 35 75.203 16.049 -4.254 304 2HH1 ARG 35 HH12 ARG 35 74.788 17.025 -2.885 305 1HH2 ARG 35 HH21 ARG 35 75.369 14.499 -0.578 306 2HH2 ARG 35 HH22 ARG 35 74.876 16.144 -0.803 307 H ASN 36 HN ASN 36 75.548 9.783 -5.780 308 HA ASN 36 HA ASN 36 78.309 9.272 -4.855 309 1HB ASN 36 HB2 ASN 36 75.533 8.220 -4.411 310 2HB ASN 36 HB1 ASN 36 76.904 7.188 -4.017 311 1HD2 ASN 36 HD21 ASN 36 77.880 7.507 -2.018 312 2HD2 ASN 36 HD22 ASN 36 77.652 8.877 -1.041 313 H GLN 37 HN GLN 37 79.030 8.967 -7.266 314 HA GLN 37 HA GLN 37 78.269 6.213 -8.154 315 1HB GLN 37 HB2 GLN 37 79.174 8.684 -9.628 316 2HB GLN 37 HB1 GLN 37 79.206 7.090 -10.383 317 1HG GLN 37 HG2 GLN 37 77.017 7.273 -10.843 318 2HG GLN 37 HG1 GLN 37 76.677 7.368 -9.114 319 1HE2 GLN 37 HE22 GLN 37 76.899 11.066 -9.229 320 2HE2 GLN 37 HE21 GLN 37 77.620 9.814 -8.338 321 H GLY 38 HN GLY 38 80.637 7.764 -6.487 322 1HA GLY 38 HA2 GLY 38 83.055 6.874 -7.742 323 2HA GLY 38 HA1 GLY 38 82.878 7.216 -6.016 324 H ASP 39 HN ASP 39 80.501 5.235 -6.190 325 HA ASP 39 HA ASP 39 82.059 2.685 -6.212 326 1HB ASP 39 HB2 ASP 39 81.094 4.131 -3.981 327 2HB ASP 39 HB1 ASP 39 79.976 2.782 -4.189 328 H LYS 40 HN LYS 40 78.881 4.286 -6.249 329 HA LYS 40 HA LYS 40 76.898 3.757 -7.402 330 1HB LYS 40 HB2 LYS 40 78.739 1.884 -8.785 331 2HB LYS 40 HB1 LYS 40 77.250 2.535 -9.449 332 1HG LYS 40 HG2 LYS 40 78.193 4.792 -9.278 333 2HG LYS 40 HG1 LYS 40 79.677 4.124 -8.602 334 1HD LYS 40 HD2 LYS 40 79.222 2.686 -10.980 335 2HD LYS 40 HD1 LYS 40 78.900 4.374 -11.381 336 1HE LYS 40 HE2 LYS 40 81.083 5.023 -10.997 337 2HE LYS 40 HE1 LYS 40 81.332 3.796 -9.739 338 1HZ LYS 40 HZ3 LYS 40 80.837 3.039 -12.552 339 2HZ LYS 40 HZ2 LYS 40 82.408 3.381 -12.003 340 3HZ LYS 40 HZ1 LYS 40 81.521 2.106 -11.312 341 H GLU 41 HN GLU 41 78.434 1.695 -5.379 342 HA GLU 41 HA GLU 41 76.925 -0.757 -5.742 343 1HB GLU 41 HB2 GLU 41 78.638 0.505 -3.605 344 2HB GLU 41 HB1 GLU 41 77.765 -0.992 -3.267 345 1HG GLU 41 HG2 GLU 41 79.374 -0.800 -5.788 346 2HG GLU 41 HG1 GLU 41 80.216 -1.072 -4.262 347 H ALA 42 HN ALA 42 76.084 2.334 -4.664 348 HA ALA 42 HA ALA 42 74.125 1.594 -2.629 349 1HB ALA 42 HB1 ALA 42 75.239 3.962 -3.929 350 2HB ALA 42 HB3 ALA 42 73.490 4.094 -3.746 351 3HB ALA 42 HB2 ALA 42 74.507 3.819 -2.331 352 H GLU 43 HN GLU 43 74.321 1.747 -6.071 353 HA GLU 43 HA GLU 43 71.796 2.185 -7.061 354 1HB GLU 43 HB2 GLU 43 73.633 1.573 -8.467 355 2HB GLU 43 HB1 GLU 43 73.859 0.043 -7.620 356 1HG GLU 43 HG2 GLU 43 71.196 0.541 -8.878 357 2HG GLU 43 HG1 GLU 43 72.546 0.168 -9.950 358 H ALA 44 HN ALA 44 72.893 -0.613 -5.182 359 HA ALA 44 HA ALA 44 70.365 -2.064 -5.475 360 1HB ALA 44 HB2 ALA 44 72.846 -2.342 -3.743 361 2HB ALA 44 HB1 ALA 44 71.500 -3.479 -3.679 362 3HB ALA 44 HB3 ALA 44 72.429 -3.295 -5.168 363 H LYS 45 HN LYS 45 72.065 -0.629 -2.636 364 HA LYS 45 HA LYS 45 69.969 -0.700 -0.806 365 1HB LYS 45 HB2 LYS 45 72.447 0.668 -1.186 366 2HB LYS 45 HB1 LYS 45 71.256 1.851 -0.627 367 1HG LYS 45 HG2 LYS 45 71.510 1.024 1.449 368 2HG LYS 45 HG1 LYS 45 70.774 -0.476 0.875 369 1HD LYS 45 HD2 LYS 45 73.464 -0.431 -0.052 370 2HD LYS 45 HD1 LYS 45 73.487 -0.033 1.667 371 1HE LYS 45 HE2 LYS 45 71.932 -2.038 2.019 372 2HE LYS 45 HE1 LYS 45 72.324 -2.502 0.352 373 1HZ LYS 45 HZ1 LYS 45 74.742 -1.887 1.301 374 2HZ LYS 45 HZ3 LYS 45 74.019 -2.495 2.710 375 3HZ LYS 45 HZ2 LYS 45 74.105 -3.462 1.316 376 H PHE 46 HN PHE 46 70.377 1.448 -3.591 377 HA PHE 46 HA PHE 46 68.345 3.357 -2.987 378 1HB PHE 46 HB2 PHE 46 70.111 3.077 -4.952 379 2HB PHE 46 HB1 PHE 46 68.769 2.261 -5.756 380 HD1 PHE 46 HD2 PHE 46 66.648 3.465 -6.210 381 HD2 PHE 46 HD1 PHE 46 70.072 5.459 -4.551 382 HE1 PHE 46 HE2 PHE 46 65.645 5.660 -6.778 383 HE2 PHE 46 HE1 PHE 46 69.069 7.654 -5.117 384 HZ PHE 46 HZ PHE 46 66.856 7.754 -6.233 385 H LYS 47 HN LYS 47 68.235 0.060 -4.202 386 HA LYS 47 HA LYS 47 65.393 0.102 -4.743 387 1HB LYS 47 HB2 LYS 47 65.800 -2.096 -5.453 388 2HB LYS 47 HB1 LYS 47 67.431 -1.455 -5.571 389 1HG LYS 47 HG2 LYS 47 68.169 -2.633 -3.723 390 2HG LYS 47 HG1 LYS 47 66.578 -2.682 -2.974 391 1HD LYS 47 HD2 LYS 47 66.474 -4.793 -3.770 392 2HD LYS 47 HD1 LYS 47 66.156 -4.028 -5.328 393 1HE LYS 47 HE2 LYS 47 68.410 -4.221 -6.021 394 2HE LYS 47 HE1 LYS 47 68.983 -4.500 -4.366 395 1HZ LYS 47 HZ1 LYS 47 66.937 -6.327 -5.305 396 2HZ LYS 47 HZ3 LYS 47 68.435 -6.474 -6.086 397 3HZ LYS 47 HZ2 LYS 47 68.338 -6.641 -4.398 398 H GLU 48 HN GLU 48 67.629 -0.875 -2.153 399 HA GLU 48 HA GLU 48 65.654 -1.793 -0.329 400 1HB GLU 48 HB2 GLU 48 68.293 -0.334 0.077 401 2HB GLU 48 HB1 GLU 48 67.396 -1.109 1.381 402 1HG GLU 48 HG2 GLU 48 67.464 -3.190 -0.270 403 2HG GLU 48 HG1 GLU 48 68.888 -2.357 -0.894 404 H ILE 49 HN ILE 49 66.390 1.306 -1.654 405 HA ILE 49 HA ILE 49 64.880 2.732 0.446 406 HB ILE 49 HB ILE 49 66.243 3.660 -2.101 407 1HG1 ILE 49 HG12 ILE 49 68.138 3.224 -0.904 408 2HG1 ILE 49 HG11 ILE 49 67.704 4.684 -0.022 409 1HG2 ILE 49 HG21 ILE 49 64.317 4.927 -0.715 410 2HG2 ILE 49 HG23 ILE 49 65.737 5.480 0.170 411 3HG2 ILE 49 HG22 ILE 49 65.610 5.772 -1.566 412 1HD1 ILE 49 HD13 ILE 49 66.312 3.161 1.493 413 2HD1 ILE 49 HD12 ILE 49 67.176 1.819 0.745 414 3HD1 ILE 49 HD11 ILE 49 68.063 3.043 1.648 415 H LYS 50 HN LYS 50 64.845 2.821 -3.122 416 HA LYS 50 HA LYS 50 62.015 3.538 -3.023 417 1HB LYS 50 HB2 LYS 50 63.553 4.597 -4.600 418 2HB LYS 50 HB1 LYS 50 63.982 3.028 -5.283 419 1HG LYS 50 HG2 LYS 50 61.209 3.066 -5.450 420 2HG LYS 50 HG1 LYS 50 61.668 4.723 -5.843 421 1HD LYS 50 HD2 LYS 50 63.425 2.779 -7.120 422 2HD LYS 50 HD1 LYS 50 61.739 2.548 -7.584 423 1HE LYS 50 HE2 LYS 50 61.550 4.851 -8.317 424 2HE LYS 50 HE1 LYS 50 63.163 5.230 -7.677 425 1HZ LYS 50 HZ3 LYS 50 64.046 3.448 -9.132 426 2HZ LYS 50 HZ2 LYS 50 62.507 3.295 -9.836 427 3HZ LYS 50 HZ1 LYS 50 63.378 4.745 -9.999 428 H GLU 51 HN GLU 51 63.843 0.566 -3.382 429 HA GLU 51 HA GLU 51 61.601 -0.827 -4.715 430 1HB GLU 51 HB2 GLU 51 64.151 -1.182 -5.051 431 2HB GLU 51 HB1 GLU 51 64.116 -2.001 -3.495 432 1HG GLU 51 HG2 GLU 51 63.883 -3.476 -5.530 433 2HG GLU 51 HG1 GLU 51 62.661 -3.670 -4.274 434 H ALA 52 HN ALA 52 63.020 -0.322 -1.562 435 HA ALA 52 HA ALA 52 61.362 -2.380 -0.234 436 1HB ALA 52 HB2 ALA 52 63.818 -1.307 0.181 437 2HB ALA 52 HB1 ALA 52 62.856 -0.277 1.240 438 3HB ALA 52 HB3 ALA 52 62.862 -2.022 1.475 439 H TYR 53 HN TYR 53 61.841 1.126 -0.010 440 HA TYR 53 HA TYR 53 59.447 1.559 1.563 441 1HB TYR 53 HB2 TYR 53 60.696 3.360 2.047 442 2HB TYR 53 HB1 TYR 53 61.892 2.786 0.909 443 HD1 TYR 53 HD2 TYR 53 60.856 3.233 -1.687 444 HD2 TYR 53 HD1 TYR 53 60.312 5.606 1.838 445 HE1 TYR 53 HE2 TYR 53 60.529 5.240 -3.095 446 HE2 TYR 53 HE1 TYR 53 59.989 7.620 0.443 447 HH TYR 53 HH TYR 53 59.503 7.434 -2.962 448 H GLU 54 HN GLU 54 59.582 0.674 -1.565 449 HA GLU 54 HA GLU 54 57.860 2.708 -2.780 450 1HB GLU 54 HB2 GLU 54 58.976 1.651 -4.467 451 2HB GLU 54 HB1 GLU 54 59.257 0.207 -3.498 452 1HG GLU 54 HG2 GLU 54 57.314 -0.814 -4.223 453 2HG GLU 54 HG1 GLU 54 56.469 0.718 -4.451 454 H VAL 55 HN VAL 55 57.451 -0.264 -0.951 455 HA VAL 55 HA VAL 55 54.520 -0.144 -1.503 456 HB VAL 55 HB VAL 55 54.662 -2.382 -1.664 457 1HG1 VAL 55 HG13 VAL 55 56.910 -1.986 -2.535 458 2HG1 VAL 55 HG12 VAL 55 57.562 -2.137 -0.904 459 3HG1 VAL 55 HG11 VAL 55 56.807 -3.521 -1.682 460 1HG2 VAL 55 HG22 VAL 55 55.854 -2.249 1.103 461 2HG2 VAL 55 HG21 VAL 55 54.195 -2.657 0.662 462 3HG2 VAL 55 HG23 VAL 55 55.508 -3.772 0.282 463 H LEU 56 HN LEU 56 56.468 1.253 0.559 464 HA LEU 56 HA LEU 56 55.243 0.515 3.117 465 1HB LEU 56 HB2 LEU 56 57.324 2.306 2.005 466 2HB LEU 56 HB1 LEU 56 56.586 2.840 3.520 467 HG LEU 56 HG LEU 56 57.110 0.690 4.566 468 1HD1 LEU 56 HD12 LEU 56 57.901 0.009 1.756 469 2HD1 LEU 56 HD11 LEU 56 58.758 -0.766 3.089 470 3HD1 LEU 56 HD13 LEU 56 57.011 -0.957 2.934 471 1HD2 LEU 56 HD21 LEU 56 59.230 2.339 3.275 472 2HD2 LEU 56 HD23 LEU 56 58.935 2.031 4.986 473 3HD2 LEU 56 HD22 LEU 56 59.739 0.813 3.997 474 H THR 57 HN THR 57 54.182 2.237 0.470 475 HA THR 57 HA THR 57 52.529 4.119 2.119 476 HB THR 57 HB THR 57 53.184 5.663 0.578 477 HG1 THR 57 HG1 THR 57 52.469 5.365 -1.582 478 1HG2 THR 57 HG23 THR 57 55.238 4.260 0.310 479 2HG2 THR 57 HG22 THR 57 54.448 3.418 -1.024 480 3HG2 THR 57 HG21 THR 57 54.813 5.138 -1.159 481 H ASP 58 HN ASP 58 52.562 1.428 -0.045 482 HA ASP 58 HA ASP 58 49.588 1.556 -0.397 483 1HB ASP 58 HB2 ASP 58 51.361 1.522 -2.317 484 2HB ASP 58 HB1 ASP 58 51.530 -0.189 -1.910 485 H SER 59 HN SER 59 48.472 0.120 0.874 486 HA SER 59 HA SER 59 49.751 -1.896 2.487 487 1HB SER 59 HB2 SER 59 47.087 -0.800 1.932 488 2HB SER 59 HB1 SER 59 47.050 -2.517 2.319 489 HG SER 59 HG SER 59 47.226 -1.839 4.300 490 H GLN 60 HN GLN 60 47.730 -2.096 -0.461 491 HA GLN 60 HA GLN 60 47.530 -4.844 -0.836 492 1HB GLN 60 HB2 GLN 60 47.474 -4.242 -3.246 493 2HB GLN 60 HB1 GLN 60 46.566 -3.087 -2.266 494 1HG GLN 60 HG2 GLN 60 48.900 -1.845 -2.142 495 2HG GLN 60 HG1 GLN 60 49.211 -2.741 -3.630 496 1HE2 GLN 60 HE22 GLN 60 45.974 -0.189 -3.699 497 2HE2 GLN 60 HE21 GLN 60 46.285 -1.092 -2.295 498 H LYS 61 HN LYS 61 50.368 -2.793 -1.518 499 HA LYS 61 HA LYS 61 51.901 -4.961 -2.706 500 1HB LYS 61 HB2 LYS 61 52.818 -2.299 -1.588 501 2HB LYS 61 HB1 LYS 61 53.583 -3.248 -2.863 502 1HG LYS 61 HG2 LYS 61 51.670 -2.859 -4.342 503 2HG LYS 61 HG1 LYS 61 50.833 -1.978 -3.064 504 1HD LYS 61 HD2 LYS 61 51.795 -0.208 -4.223 505 2HD LYS 61 HD1 LYS 61 53.059 -0.542 -3.036 506 1HE LYS 61 HE2 LYS 61 54.326 -1.837 -4.633 507 2HE LYS 61 HE1 LYS 61 53.005 -1.761 -5.816 508 1HZ LYS 61 HZ3 LYS 61 53.882 0.777 -4.703 509 2HZ LYS 61 HZ2 LYS 61 54.985 0.017 -5.747 510 3HZ LYS 61 HZ1 LYS 61 53.419 0.394 -6.290 511 H ARG 62 HN ARG 62 51.638 -3.365 0.454 512 HA ARG 62 HA ARG 62 53.894 -4.480 1.746 513 1HB ARG 62 HB2 ARG 62 51.091 -3.783 2.681 514 2HB ARG 62 HB1 ARG 62 52.395 -4.199 3.794 515 1HG ARG 62 HG2 ARG 62 52.636 -2.003 1.729 516 2HG ARG 62 HG1 ARG 62 52.089 -1.710 3.379 517 1HD ARG 62 HD2 ARG 62 54.728 -3.055 2.700 518 2HD ARG 62 HD1 ARG 62 54.562 -1.329 3.079 519 HE ARG 62 HE ARG 62 54.656 -3.329 5.056 520 1HH1 ARG 62 HH11 ARG 62 53.849 -0.170 4.807 521 2HH1 ARG 62 HH12 ARG 62 52.613 -0.163 6.020 522 1HH2 ARG 62 HH21 ARG 62 52.483 -3.616 6.291 523 2HH2 ARG 62 HH22 ARG 62 51.841 -2.112 6.860 524 H ALA 63 HN ALA 63 50.991 -5.931 0.596 525 HA ALA 63 HA ALA 63 51.495 -8.453 2.114 526 1HB ALA 63 HB1 ALA 63 49.206 -6.965 1.213 527 2HB ALA 63 HB3 ALA 63 49.200 -8.527 0.394 528 3HB ALA 63 HB2 ALA 63 49.221 -8.455 2.156 529 H ALA 64 HN ALA 64 51.677 -6.894 -0.962 530 HA ALA 64 HA ALA 64 51.958 -9.352 -2.563 531 1HB ALA 64 HB2 ALA 64 50.939 -6.968 -3.098 532 2HB ALA 64 HB1 ALA 64 52.619 -6.550 -3.432 533 3HB ALA 64 HB3 ALA 64 51.832 -7.834 -4.349 534 H TYR 65 HN TYR 65 53.947 -6.523 -1.770 535 HA TYR 65 HA TYR 65 56.365 -7.617 -2.928 536 1HB TYR 65 HB2 TYR 65 55.264 -5.196 -1.886 537 2HB TYR 65 HB1 TYR 65 56.811 -5.474 -1.096 538 HD1 TYR 65 HD2 TYR 65 58.872 -5.912 -2.515 539 HD2 TYR 65 HD1 TYR 65 55.148 -4.566 -4.176 540 HE1 TYR 65 HE2 TYR 65 60.046 -5.220 -4.589 541 HE2 TYR 65 HE1 TYR 65 56.320 -3.874 -6.248 542 HH TYR 65 HH TYR 65 58.391 -3.425 -7.123 543 H ASP 66 HN ASP 66 54.953 -7.567 0.310 544 HA ASP 66 HA ASP 66 57.381 -8.211 1.710 545 1HB ASP 66 HB2 ASP 66 55.918 -8.499 3.576 546 2HB ASP 66 HB1 ASP 66 55.163 -7.257 2.576 547 H GLN 67 HN GLN 67 55.144 -10.092 -0.179 548 HA GLN 67 HA GLN 67 56.270 -12.641 0.916 549 1HB GLN 67 HB2 GLN 67 54.273 -13.643 -0.011 550 2HB GLN 67 HB1 GLN 67 53.782 -12.178 0.842 551 1HG GLN 67 HG2 GLN 67 53.750 -10.933 -1.275 552 2HG GLN 67 HG1 GLN 67 54.286 -12.373 -2.143 553 1HE2 GLN 67 HE22 GLN 67 50.514 -12.575 -0.496 554 2HE2 GLN 67 HE21 GLN 67 51.759 -11.831 0.386 555 H TYR 68 HN TYR 68 56.397 -10.534 -1.809 556 HA TYR 68 HA TYR 68 57.334 -12.696 -3.631 557 1HB TYR 68 HB2 TYR 68 56.175 -9.985 -3.814 558 2HB TYR 68 HB1 TYR 68 57.423 -10.331 -5.017 559 HD1 TYR 68 HD1 TYR 68 57.140 -12.138 -6.653 560 HD2 TYR 68 HD2 TYR 68 54.083 -11.230 -3.776 561 HE1 TYR 68 HE1 TYR 68 55.519 -13.496 -7.947 562 HE2 TYR 68 HE2 TYR 68 52.460 -12.588 -5.071 563 HH TYR 68 HH TYR 68 52.986 -13.567 -8.221 564 H GLY 69 HN GLY 69 58.500 -9.377 -3.699 565 1HA GLY 69 HA2 GLY 69 60.654 -8.535 -3.056 566 2HA GLY 69 HA1 GLY 69 61.153 -10.182 -2.666 567 H HIS 70 HN HIS 70 60.357 -11.420 -5.107 568 HA HIS 70 HA HIS 70 61.242 -10.176 -7.492 569 1HB HIS 70 HB2 HIS 70 63.287 -10.558 -5.574 570 2HB HIS 70 HB1 HIS 70 63.565 -11.756 -6.837 571 HD1 HIS 70 HD1 HIS 70 61.988 -8.410 -7.550 572 HD2 HIS 70 HD2 HIS 70 65.658 -10.312 -8.091 573 HE1 HIS 70 HE1 HIS 70 63.348 -6.924 -9.087 574 H ALA 71 HN ALA 71 59.652 -11.658 -8.307 575 HA ALA 71 HA ALA 71 58.836 -13.762 -9.063 576 1HB ALA 71 HB3 ALA 71 61.096 -13.084 -10.242 577 2HB ALA 71 HB2 ALA 71 61.750 -14.451 -9.340 578 3HB ALA 71 HB1 ALA 71 60.437 -14.700 -10.492 579 H ALA 72 HN ALA 72 59.668 -13.511 -6.124 580 HA ALA 72 HA ALA 72 60.990 -15.660 -5.013 581 1HB ALA 72 HB3 ALA 72 58.493 -14.139 -4.327 582 2HB ALA 72 HB2 ALA 72 58.979 -15.490 -3.301 583 3HB ALA 72 HB1 ALA 72 60.064 -14.118 -3.525 584 H PHE 73 HN PHE 73 57.508 -16.023 -4.752 585 HA PHE 73 HA PHE 73 57.765 -18.764 -5.943 586 1HB PHE 73 HB2 PHE 73 56.805 -17.715 -3.406 587 2HB PHE 73 HB1 PHE 73 55.556 -18.662 -4.215 588 HD1 PHE 73 HD1 PHE 73 59.195 -19.177 -4.654 589 HD2 PHE 73 HD2 PHE 73 55.604 -20.591 -2.770 590 HE1 PHE 73 HE1 PHE 73 60.359 -21.269 -4.009 591 HE2 PHE 73 HE2 PHE 73 56.767 -22.684 -2.123 592 HZ PHE 73 HZ PHE 73 59.145 -23.023 -2.743 593 H GLU 74 HN GLU 74 56.673 -18.867 -7.861 594 HA GLU 74 HA GLU 74 53.980 -17.600 -8.041 595 1HB GLU 74 HB2 GLU 74 54.599 -16.541 -10.151 596 2HB GLU 74 HB1 GLU 74 55.755 -16.051 -8.911 597 1HG GLU 74 HG2 GLU 74 57.055 -18.207 -9.767 598 2HG GLU 74 HG1 GLU 74 56.136 -17.892 -11.239 599 H GLN 75 HN GLN 75 53.659 -20.087 -7.779 600 HA GLN 75 HA GLN 75 54.189 -21.594 -10.289 601 1HB GLN 75 HB2 GLN 75 53.052 -22.396 -7.588 602 2HB GLN 75 HB1 GLN 75 53.486 -23.511 -8.884 603 1HG GLN 75 HG2 GLN 75 55.821 -22.333 -8.769 604 2HG GLN 75 HG1 GLN 75 55.287 -21.819 -7.169 605 1HE2 GLN 75 HE22 GLN 75 55.368 -25.133 -5.798 606 2HE2 GLN 75 HE21 GLN 75 54.649 -23.606 -5.625 607 H GLY 76 HN GLY 76 51.815 -19.573 -9.146 608 1HA GLY 76 HA2 GLY 76 49.508 -21.155 -10.081 609 2HA GLY 76 HA1 GLY 76 49.443 -19.521 -9.414 610 H GLY 77 HN GLY 77 49.849 -17.734 -10.811 611 1HA GLY 77 HA2 GLY 77 50.556 -16.868 -13.010 612 2HA GLY 77 HA1 GLY 77 50.061 -18.408 -13.715 No H/Q in entry = 612 Start of MODEL 19 1 1H ALA 1 HT3 ALA 1 69.169 -13.038 8.012 2 2H ALA 1 HT2 ALA 1 68.753 -13.747 6.525 3 3H ALA 1 HT1 ALA 1 69.799 -12.409 6.568 4 HA ALA 1 HA ALA 1 68.098 -10.915 7.092 5 1HB ALA 1 HB3 ALA 1 67.180 -13.112 5.215 6 2HB ALA 1 HB2 ALA 1 66.390 -11.539 5.326 7 3HB ALA 1 HB1 ALA 1 68.067 -11.649 4.787 8 H LYS 2 HN LYS 2 66.670 -10.577 8.746 9 HA LYS 2 HA LYS 2 64.473 -12.479 9.249 10 1HB LYS 2 HB2 LYS 2 65.259 -12.613 11.703 11 2HB LYS 2 HB1 LYS 2 66.178 -13.552 10.526 12 1HG LYS 2 HG2 LYS 2 67.851 -11.761 10.375 13 2HG LYS 2 HG1 LYS 2 66.924 -10.782 11.512 14 1HD LYS 2 HD2 LYS 2 67.129 -12.850 13.089 15 2HD LYS 2 HD1 LYS 2 68.455 -13.322 12.025 16 1HE LYS 2 HE2 LYS 2 69.622 -12.028 13.573 17 2HE LYS 2 HE1 LYS 2 69.171 -10.767 12.409 18 1HZ LYS 2 HZ1 LYS 2 67.165 -11.482 14.391 19 2HZ LYS 2 HZ3 LYS 2 68.516 -10.644 14.979 20 3HZ LYS 2 HZ2 LYS 2 67.561 -9.960 13.750 21 H GLN 3 HN GLN 3 64.235 -9.869 8.387 22 HA GLN 3 HA GLN 3 62.779 -8.613 10.608 23 1HB GLN 3 HB2 GLN 3 64.214 -6.513 10.373 24 2HB GLN 3 HB1 GLN 3 65.005 -7.883 11.154 25 1HG GLN 3 HG2 GLN 3 65.427 -8.210 8.378 26 2HG GLN 3 HG1 GLN 3 65.753 -6.512 8.728 27 1HE2 GLN 3 HE22 GLN 3 68.787 -8.725 9.440 28 2HE2 GLN 3 HE21 GLN 3 67.741 -8.667 8.104 29 H ASP 4 HN ASP 4 61.265 -7.158 9.845 30 HA ASP 4 HA ASP 4 60.416 -7.284 7.136 31 1HB ASP 4 HB2 ASP 4 59.078 -6.739 9.157 32 2HB ASP 4 HB1 ASP 4 59.932 -5.200 9.284 33 H TYR 5 HN TYR 5 60.168 -5.168 5.772 34 HA TYR 5 HA TYR 5 62.811 -3.760 5.766 35 1HB TYR 5 HB2 TYR 5 61.341 -3.381 3.332 36 2HB TYR 5 HB1 TYR 5 62.859 -4.242 3.572 37 HD1 TYR 5 HD2 TYR 5 62.889 -6.674 3.912 38 HD2 TYR 5 HD1 TYR 5 59.207 -4.557 3.268 39 HE1 TYR 5 HE2 TYR 5 61.733 -8.822 3.466 40 HE2 TYR 5 HE1 TYR 5 58.051 -6.705 2.821 41 HH TYR 5 HH TYR 5 59.390 -9.706 3.573 42 H TYR 6 HN TYR 6 60.135 -3.104 7.197 43 HA TYR 6 HA TYR 6 59.371 -0.562 5.924 44 1HB TYR 6 HB2 TYR 6 57.500 -0.867 7.169 45 2HB TYR 6 HB1 TYR 6 58.140 -2.467 7.510 46 HD1 TYR 6 HD1 TYR 6 58.678 1.063 8.742 47 HD2 TYR 6 HD2 TYR 6 58.172 -3.084 9.734 48 HE1 TYR 6 HE1 TYR 6 58.830 1.614 11.147 49 HE2 TYR 6 HE2 TYR 6 58.314 -2.522 12.143 50 HH TYR 6 HH TYR 6 58.733 0.850 13.224 51 H GLU 7 HN GLU 7 60.805 -1.631 9.001 52 HA GLU 7 HA GLU 7 61.555 1.003 9.870 53 1HB GLU 7 HB2 GLU 7 61.695 -1.753 10.716 54 2HB GLU 7 HB1 GLU 7 63.255 -0.978 10.989 55 1HG GLU 7 HG2 GLU 7 61.233 0.871 11.779 56 2HG GLU 7 HG1 GLU 7 60.844 -0.686 12.509 57 H ILE 8 HN ILE 8 63.042 -1.407 7.783 58 HA ILE 8 HA ILE 8 65.747 -0.718 7.853 59 HB ILE 8 HB ILE 8 63.809 -1.920 6.026 60 1HG1 ILE 8 HG12 ILE 8 66.189 -3.089 5.485 61 2HG1 ILE 8 HG11 ILE 8 66.565 -2.353 7.043 62 1HG2 ILE 8 HG22 ILE 8 66.105 -0.340 4.855 63 2HG2 ILE 8 HG21 ILE 8 65.402 -1.727 4.023 64 3HG2 ILE 8 HG23 ILE 8 64.410 -0.313 4.375 65 1HD1 ILE 8 HD13 ILE 8 63.992 -3.487 7.318 66 2HD1 ILE 8 HD12 ILE 8 64.972 -4.696 6.489 67 3HD1 ILE 8 HD11 ILE 8 65.493 -4.056 8.048 68 H LEU 9 HN LEU 9 63.047 1.069 6.396 69 HA LEU 9 HA LEU 9 64.917 3.136 5.351 70 1HB LEU 9 HB2 LEU 9 61.914 2.705 5.188 71 2HB LEU 9 HB1 LEU 9 62.756 4.042 4.413 72 HG LEU 9 HG LEU 9 62.787 2.604 2.636 73 1HD1 LEU 9 HD11 LEU 9 65.052 1.461 4.299 74 2HD1 LEU 9 HD13 LEU 9 64.843 1.204 2.567 75 3HD1 LEU 9 HD12 LEU 9 65.156 2.826 3.187 76 1HD2 LEU 9 HD21 LEU 9 62.363 0.539 4.751 77 2HD2 LEU 9 HD23 LEU 9 61.453 0.838 3.270 78 3HD2 LEU 9 HD22 LEU 9 63.004 0.004 3.197 79 H GLY 10 HN GLY 10 64.164 2.565 8.327 80 1HA GLY 10 HA2 GLY 10 63.695 3.845 10.245 81 2HA GLY 10 HA1 GLY 10 64.266 5.223 9.299 82 H VAL 11 HN VAL 11 61.387 3.152 9.734 83 HA VAL 11 HA VAL 11 59.683 5.580 9.436 84 HB VAL 11 HB VAL 11 59.145 3.047 7.870 85 1HG1 VAL 11 HG12 VAL 11 57.815 5.523 8.241 86 2HG1 VAL 11 HG11 VAL 11 58.430 5.511 6.588 87 3HG1 VAL 11 HG13 VAL 11 57.375 4.213 7.146 88 1HG2 VAL 11 HG21 VAL 11 60.852 5.418 7.044 89 2HG2 VAL 11 HG23 VAL 11 61.370 3.739 7.179 90 3HG2 VAL 11 HG22 VAL 11 60.227 4.210 5.922 91 H SER 12 HN SER 12 57.418 3.549 9.032 92 HA SER 12 HA SER 12 57.287 2.262 11.713 93 1HB SER 12 HB2 SER 12 56.057 4.706 10.898 94 2HB SER 12 HB1 SER 12 54.788 3.498 11.067 95 HG SER 12 HG SER 12 56.616 4.478 12.965 96 H LYS 13 HN LYS 13 56.930 1.990 8.408 97 HA LYS 13 HA LYS 13 56.046 0.251 7.092 98 1HB LYS 13 HB2 LYS 13 56.098 -1.672 8.265 99 2HB LYS 13 HB1 LYS 13 56.229 -0.722 9.739 100 1HG LYS 13 HG2 LYS 13 53.740 -0.597 9.852 101 2HG LYS 13 HG1 LYS 13 53.648 -1.624 8.421 102 1HD LYS 13 HD2 LYS 13 54.781 -3.435 9.595 103 2HD LYS 13 HD1 LYS 13 55.019 -2.408 11.009 104 1HE LYS 13 HE2 LYS 13 52.684 -2.360 11.501 105 2HE LYS 13 HE1 LYS 13 52.262 -3.012 9.906 106 1HZ LYS 13 HZ3 LYS 13 53.942 -4.874 10.719 107 2HZ LYS 13 HZ2 LYS 13 53.362 -4.382 12.237 108 3HZ LYS 13 HZ1 LYS 13 52.283 -4.952 11.055 109 H THR 14 HN THR 14 53.846 1.426 9.672 110 HA THR 14 HA THR 14 51.537 1.222 7.845 111 HB THR 14 HB THR 14 50.297 1.817 9.827 112 HG1 THR 14 HG1 THR 14 51.120 3.187 11.165 113 1HG2 THR 14 HG23 THR 14 51.876 -0.381 9.716 114 2HG2 THR 14 HG22 THR 14 52.488 0.358 11.195 115 3HG2 THR 14 HG21 THR 14 50.778 -0.051 11.056 116 H ALA 15 HN ALA 15 54.075 3.287 8.072 117 HA ALA 15 HA ALA 15 52.927 5.904 8.220 118 1HB ALA 15 HB1 ALA 15 55.427 4.881 8.075 119 2HB ALA 15 HB3 ALA 15 55.214 5.338 6.386 120 3HB ALA 15 HB2 ALA 15 55.076 6.557 7.653 121 H GLU 16 HN GLU 16 53.939 6.953 5.791 122 HA GLU 16 HA GLU 16 52.421 5.693 3.603 123 1HB GLU 16 HB2 GLU 16 51.877 8.507 4.617 124 2HB GLU 16 HB1 GLU 16 51.046 7.696 3.286 125 1HG GLU 16 HG2 GLU 16 50.347 5.910 4.949 126 2HG GLU 16 HG1 GLU 16 50.968 6.960 6.224 127 H GLU 17 HN GLU 17 52.570 8.550 2.468 128 HA GLU 17 HA GLU 17 55.298 8.306 1.365 129 1HB GLU 17 HB2 GLU 17 54.400 10.150 -0.125 130 2HB GLU 17 HB1 GLU 17 53.454 8.662 -0.165 131 1HG GLU 17 HG2 GLU 17 51.702 9.580 1.062 132 2HG GLU 17 HG1 GLU 17 52.734 10.791 1.822 133 H ARG 18 HN ARG 18 54.185 9.571 4.145 134 HA ARG 18 HA ARG 18 55.382 12.246 3.926 135 1HB ARG 18 HB2 ARG 18 54.308 12.639 5.973 136 2HB ARG 18 HB1 ARG 18 53.262 11.436 5.229 137 1HG ARG 18 HG2 ARG 18 55.516 10.586 7.050 138 2HG ARG 18 HG1 ARG 18 53.969 11.097 7.708 139 1HD ARG 18 HD2 ARG 18 53.181 9.357 5.714 140 2HD ARG 18 HD1 ARG 18 54.653 8.587 6.340 141 HE ARG 18 HE ARG 18 53.660 8.664 8.591 142 1HH1 ARG 18 HH11 ARG 18 51.691 10.690 6.872 143 2HH1 ARG 18 HH12 ARG 18 50.193 9.947 7.326 144 1HH2 ARG 18 HH21 ARG 18 51.701 7.194 8.797 145 2HH2 ARG 18 HH22 ARG 18 50.199 7.967 8.412 146 H GLU 19 HN GLU 19 56.202 9.151 5.503 147 HA GLU 19 HA GLU 19 58.731 10.389 6.464 148 1HB GLU 19 HB2 GLU 19 56.963 8.384 7.417 149 2HB GLU 19 HB1 GLU 19 58.481 7.575 7.011 150 1HG GLU 19 HG2 GLU 19 59.633 8.626 8.654 151 2HG GLU 19 HG1 GLU 19 58.812 10.162 8.375 152 H ILE 20 HN ILE 20 57.560 7.665 4.515 153 HA ILE 20 HA ILE 20 59.996 6.644 3.659 154 HB ILE 20 HB ILE 20 57.212 6.668 2.880 155 1HG1 ILE 20 HG12 ILE 20 57.767 4.357 2.268 156 2HG1 ILE 20 HG11 ILE 20 59.486 4.742 2.347 157 1HG2 ILE 20 HG21 ILE 20 59.233 6.926 0.675 158 2HG2 ILE 20 HG23 ILE 20 57.858 5.848 0.455 159 3HG2 ILE 20 HG22 ILE 20 57.594 7.564 0.760 160 1HD1 ILE 20 HD11 ILE 20 59.055 5.482 4.763 161 2HD1 ILE 20 HD13 ILE 20 57.490 4.682 4.616 162 3HD1 ILE 20 HD12 ILE 20 58.977 3.749 4.450 163 H ARG 21 HN ARG 21 58.544 9.761 2.925 164 HA ARG 21 HA ARG 21 60.377 10.193 0.659 165 1HB ARG 21 HB2 ARG 21 58.665 11.556 0.068 166 2HB ARG 21 HB1 ARG 21 57.866 11.180 1.588 167 1HG ARG 21 HG2 ARG 21 60.033 13.277 1.459 168 2HG ARG 21 HG1 ARG 21 58.363 13.669 1.058 169 1HD ARG 21 HD2 ARG 21 57.601 12.990 3.262 170 2HD ARG 21 HD1 ARG 21 59.217 12.384 3.676 171 HE ARG 21 HE ARG 21 59.787 14.615 4.170 172 1HH1 ARG 21 HH11 ARG 21 59.930 15.708 1.513 173 2HH1 ARG 21 HH12 ARG 21 58.652 16.876 1.457 174 1HH2 ARG 21 HH21 ARG 21 56.998 15.589 4.221 175 2HH2 ARG 21 HH22 ARG 21 56.992 16.810 2.992 176 H LYS 22 HN LYS 22 60.422 10.598 4.023 177 HA LYS 22 HA LYS 22 62.671 12.554 3.860 178 1HB LYS 22 HB2 LYS 22 60.340 12.559 5.360 179 2HB LYS 22 HB1 LYS 22 61.511 11.872 6.485 180 1HG LYS 22 HG2 LYS 22 62.901 13.968 5.301 181 2HG LYS 22 HG1 LYS 22 61.273 14.614 5.501 182 1HD LYS 22 HD2 LYS 22 62.772 14.984 7.493 183 2HD LYS 22 HD1 LYS 22 61.287 14.106 7.865 184 1HE LYS 22 HE2 LYS 22 62.403 12.139 8.299 185 2HE LYS 22 HE1 LYS 22 63.655 12.464 7.084 186 1HZ LYS 22 HZ2 LYS 22 64.518 14.230 8.503 187 2HZ LYS 22 HZ1 LYS 22 63.344 13.881 9.681 188 3HZ LYS 22 HZ3 LYS 22 64.546 12.740 9.319 189 H ALA 23 HN ALA 23 61.599 9.368 4.687 190 HA ALA 23 HA ALA 23 64.055 8.652 6.171 191 1HB ALA 23 HB2 ALA 23 61.368 7.712 5.835 192 2HB ALA 23 HB1 ALA 23 62.462 6.411 5.364 193 3HB ALA 23 HB3 ALA 23 62.583 7.128 6.971 194 H TYR 24 HN TYR 24 62.524 8.018 3.012 195 HA TYR 24 HA TYR 24 64.429 6.196 1.956 196 1HB TYR 24 HB2 TYR 24 62.338 6.654 0.841 197 2HB TYR 24 HB1 TYR 24 62.707 8.372 0.730 198 HD1 TYR 24 HD2 TYR 24 64.875 9.013 -0.588 199 HD2 TYR 24 HD1 TYR 24 62.872 5.232 -0.964 200 HE1 TYR 24 HE2 TYR 24 65.977 8.645 -2.777 201 HE2 TYR 24 HE1 TYR 24 63.972 4.868 -3.154 202 HH TYR 24 HH TYR 24 65.057 6.019 -4.876 203 H LYS 25 HN LYS 25 64.335 9.747 1.995 204 HA LYS 25 HA LYS 25 66.920 9.994 0.629 205 1HB LYS 25 HB2 LYS 25 64.630 11.538 1.027 206 2HB LYS 25 HB1 LYS 25 65.858 12.344 2.005 207 1HG LYS 25 HG2 LYS 25 67.001 13.054 0.183 208 2HG LYS 25 HG1 LYS 25 66.848 11.492 -0.623 209 1HD LYS 25 HD2 LYS 25 65.590 12.944 -1.992 210 2HD LYS 25 HD1 LYS 25 64.370 12.159 -0.989 211 1HE LYS 25 HE2 LYS 25 65.091 14.319 0.575 212 2HE LYS 25 HE1 LYS 25 65.165 14.989 -1.067 213 1HZ LYS 25 HZ1 LYS 25 62.992 13.859 -1.480 214 2HZ LYS 25 HZ3 LYS 25 62.904 13.523 0.180 215 3HZ LYS 25 HZ2 LYS 25 62.914 15.135 -0.361 216 H ARG 26 HN ARG 26 65.636 10.477 3.951 217 HA ARG 26 HA ARG 26 68.061 11.461 5.116 218 1HB ARG 26 HB2 ARG 26 65.939 11.553 6.270 219 2HB ARG 26 HB1 ARG 26 65.767 9.799 6.201 220 1HG ARG 26 HG2 ARG 26 66.528 10.321 8.415 221 2HG ARG 26 HG1 ARG 26 67.911 9.648 7.553 222 1HD ARG 26 HD2 ARG 26 68.059 12.378 6.988 223 2HD ARG 26 HD1 ARG 26 67.588 12.315 8.698 224 HE ARG 26 HE ARG 26 69.984 10.935 7.560 225 1HH1 ARG 26 HH21 ARG 26 67.966 11.136 10.265 226 2HH1 ARG 26 HH22 ARG 26 69.248 11.336 11.413 227 1HH2 ARG 26 HH11 ARG 26 71.720 11.633 8.999 228 2HH2 ARG 26 HH12 ARG 26 71.372 11.617 10.696 229 H LEU 27 HN LEU 27 67.025 8.146 4.367 230 HA LEU 27 HA LEU 27 69.354 7.007 5.775 231 1HB LEU 27 HB2 LEU 27 66.800 6.154 4.875 232 2HB LEU 27 HB1 LEU 27 68.000 5.167 4.037 233 HG LEU 27 HG LEU 27 67.301 4.245 6.282 234 1HD1 LEU 27 HD12 LEU 27 69.570 3.902 5.101 235 2HD1 LEU 27 HD11 LEU 27 70.211 5.066 6.259 236 3HD1 LEU 27 HD13 LEU 27 69.511 3.551 6.827 237 1HD2 LEU 27 HD22 LEU 27 67.374 6.771 7.171 238 2HD2 LEU 27 HD21 LEU 27 67.695 5.410 8.247 239 3HD2 LEU 27 HD23 LEU 27 69.036 6.324 7.557 240 H ALA 28 HN ALA 28 68.527 8.030 2.534 241 HA ALA 28 HA ALA 28 70.540 6.441 1.176 242 1HB ALA 28 HB1 ALA 28 68.585 7.497 0.083 243 2HB ALA 28 HB3 ALA 28 69.259 9.085 0.456 244 3HB ALA 28 HB2 ALA 28 70.105 8.007 -0.656 245 H MET 29 HN MET 29 70.515 9.385 3.016 246 HA MET 29 HA MET 29 72.666 10.891 2.169 247 1HB MET 29 HB2 MET 29 71.245 11.174 4.186 248 2HB MET 29 HB1 MET 29 72.121 9.850 4.953 249 1HG MET 29 HG2 MET 29 74.017 11.104 5.285 250 2HG MET 29 HG1 MET 29 73.758 12.069 3.831 251 1HE MET 29 HE3 MET 29 73.101 13.902 3.576 252 2HE MET 29 HE2 MET 29 71.489 14.383 4.099 253 3HE MET 29 HE1 MET 29 72.904 15.146 4.818 254 H LYS 30 HN LYS 30 72.748 7.897 4.033 255 HA LYS 30 HA LYS 30 75.504 7.546 4.466 256 1HB LYS 30 HB2 LYS 30 73.017 6.084 4.451 257 2HB LYS 30 HB1 LYS 30 74.299 5.074 3.774 258 1HG LYS 30 HG2 LYS 30 75.066 4.684 5.850 259 2HG LYS 30 HG1 LYS 30 75.426 6.403 6.009 260 1HD LYS 30 HD2 LYS 30 72.583 5.606 6.369 261 2HD LYS 30 HD1 LYS 30 73.703 5.132 7.648 262 1HE LYS 30 HE2 LYS 30 73.890 7.941 6.627 263 2HE LYS 30 HE1 LYS 30 72.529 7.532 7.691 264 1HZ LYS 30 HZ1 LYS 30 75.122 6.448 8.441 265 2HZ LYS 30 HZ3 LYS 30 74.951 8.126 8.614 266 3HZ LYS 30 HZ2 LYS 30 73.884 7.079 9.420 267 H TYR 31 HN TYR 31 73.667 7.497 1.552 268 HA TYR 31 HA TYR 31 76.111 6.638 0.037 269 1HB TYR 31 HB2 TYR 31 73.334 5.596 -0.547 270 2HB TYR 31 HB1 TYR 31 74.876 4.980 -1.153 271 HD1 TYR 31 HD2 TYR 31 76.616 4.348 0.799 272 HD2 TYR 31 HD1 TYR 31 72.342 4.445 1.213 273 HE1 TYR 31 HE2 TYR 31 76.769 2.806 2.736 274 HE2 TYR 31 HE1 TYR 31 72.494 2.904 3.148 275 HH TYR 31 HH TYR 31 75.458 1.298 3.993 276 H HIS 32 HN HIS 32 73.741 8.945 0.399 277 HA HIS 32 HA HIS 32 72.618 9.659 -1.988 278 1HB HIS 32 HB2 HIS 32 73.643 10.935 0.403 279 2HB HIS 32 HB1 HIS 32 73.787 12.013 -0.989 280 HD1 HIS 32 HD1 HIS 32 71.732 12.806 1.074 281 HD2 HIS 32 HD2 HIS 32 70.827 10.245 -2.089 282 HE1 HIS 32 HE1 HIS 32 69.220 12.912 0.761 283 HA PRO 33 HA PRO 33 75.411 10.666 -5.196 284 1HB PRO 33 HB2 PRO 33 74.878 13.319 -5.741 285 2HB PRO 33 HB1 PRO 33 73.824 11.973 -6.219 286 1HG PRO 33 HG2 PRO 33 73.652 13.731 -3.802 287 2HG PRO 33 HG1 PRO 33 72.376 13.274 -4.951 288 1HD PRO 33 HD2 PRO 33 72.551 12.002 -2.651 289 2HD PRO 33 HD1 PRO 33 72.268 11.074 -4.143 290 H ASP 34 HN ASP 34 76.680 13.260 -5.694 291 HA ASP 34 HA ASP 34 78.587 14.498 -4.992 292 1HB ASP 34 HB2 ASP 34 77.056 14.485 -2.825 293 2HB ASP 34 HB1 ASP 34 78.242 13.317 -2.240 294 H ARG 35 HN ARG 35 78.443 11.538 -3.015 295 HA ARG 35 HA ARG 35 81.168 10.747 -3.837 296 1HB ARG 35 HB2 ARG 35 80.866 9.196 -2.013 297 2HB ARG 35 HB1 ARG 35 80.167 10.720 -1.476 298 1HG ARG 35 HG2 ARG 35 77.924 9.872 -2.300 299 2HG ARG 35 HG1 ARG 35 78.685 8.302 -2.563 300 1HD ARG 35 HD2 ARG 35 77.504 8.584 -0.306 301 2HD ARG 35 HD1 ARG 35 79.202 8.075 -0.206 302 HE ARG 35 HE ARG 35 79.722 10.191 0.712 303 1HH1 ARG 35 HH21 ARG 35 79.371 12.427 -0.495 304 2HH1 ARG 35 HH22 ARG 35 77.791 13.066 -0.180 305 1HH2 ARG 35 HH11 ARG 35 76.508 10.052 0.957 306 2HH2 ARG 35 HH12 ARG 35 76.171 11.721 0.642 307 H ASN 36 HN ASN 36 77.796 9.996 -4.229 308 HA ASN 36 HA ASN 36 78.229 7.450 -5.645 309 1HB ASN 36 HB2 ASN 36 76.026 9.092 -4.476 310 2HB ASN 36 HB1 ASN 36 75.597 8.037 -5.818 311 1HD2 ASN 36 HD22 ASN 36 75.266 5.436 -3.459 312 2HD2 ASN 36 HD21 ASN 36 74.488 6.413 -4.610 313 H GLN 37 HN GLN 37 77.559 10.815 -6.375 314 HA GLN 37 HA GLN 37 77.468 11.919 -8.449 315 1HB GLN 37 HB2 GLN 37 78.216 9.260 -9.665 316 2HB GLN 37 HB1 GLN 37 78.592 10.871 -10.275 317 1HG GLN 37 HG2 GLN 37 79.657 10.800 -7.673 318 2HG GLN 37 HG1 GLN 37 80.083 9.249 -8.395 319 1HE2 GLN 37 HE22 GLN 37 82.335 12.296 -9.407 320 2HE2 GLN 37 HE21 GLN 37 81.506 12.092 -7.940 321 H GLY 38 HN GLY 38 75.141 11.948 -7.978 322 1HA GLY 38 HA2 GLY 38 72.951 11.744 -8.798 323 2HA GLY 38 HA1 GLY 38 73.620 10.908 -10.204 324 H ASP 39 HN ASP 39 74.737 8.669 -9.312 325 HA ASP 39 HA ASP 39 72.975 7.364 -7.317 326 1HB ASP 39 HB2 ASP 39 73.050 6.628 -10.257 327 2HB ASP 39 HB1 ASP 39 72.263 5.661 -9.009 328 H LYS 40 HN LYS 40 74.501 5.543 -9.852 329 HA LYS 40 HA LYS 40 76.297 4.053 -9.826 330 1HB LYS 40 HB2 LYS 40 77.172 6.162 -7.906 331 2HB LYS 40 HB1 LYS 40 78.237 4.856 -8.394 332 1HG LYS 40 HG2 LYS 40 76.925 6.898 -10.212 333 2HG LYS 40 HG1 LYS 40 78.639 6.806 -9.810 334 1HD LYS 40 HD2 LYS 40 78.911 5.439 -11.575 335 2HD LYS 40 HD1 LYS 40 77.942 4.236 -10.721 336 1HE LYS 40 HE2 LYS 40 75.877 5.208 -11.675 337 2HE LYS 40 HE1 LYS 40 76.854 6.405 -12.550 338 1HZ LYS 40 HZ2 LYS 40 78.130 4.489 -13.480 339 2HZ LYS 40 HZ1 LYS 40 76.956 3.450 -12.824 340 3HZ LYS 40 HZ3 LYS 40 76.519 4.576 -14.015 341 H GLU 41 HN GLU 41 76.246 5.049 -6.405 342 HA GLU 41 HA GLU 41 76.147 2.182 -5.635 343 1HB GLU 41 HB2 GLU 41 76.909 4.790 -4.442 344 2HB GLU 41 HB1 GLU 41 76.226 3.618 -3.318 345 1HG GLU 41 HG2 GLU 41 78.151 2.393 -5.135 346 2HG GLU 41 HG1 GLU 41 78.871 3.701 -4.196 347 H ALA 42 HN ALA 42 74.029 4.784 -6.162 348 HA ALA 42 HA ALA 42 71.998 3.912 -4.205 349 1HB ALA 42 HB2 ALA 42 72.689 6.297 -5.369 350 2HB ALA 42 HB1 ALA 42 71.325 5.812 -6.376 351 3HB ALA 42 HB3 ALA 42 71.118 5.983 -4.632 352 H GLU 43 HN GLU 43 72.924 3.381 -7.522 353 HA GLU 43 HA GLU 43 70.521 2.669 -8.782 354 1HB GLU 43 HB2 GLU 43 72.746 2.720 -9.834 355 2HB GLU 43 HB1 GLU 43 73.252 1.341 -8.857 356 1HG GLU 43 HG2 GLU 43 72.094 -0.159 -10.132 357 2HG GLU 43 HG1 GLU 43 70.761 0.959 -10.418 358 H ALA 44 HN ALA 44 72.630 0.552 -6.802 359 HA ALA 44 HA ALA 44 70.598 -1.587 -6.770 360 1HB ALA 44 HB1 ALA 44 73.382 -1.084 -5.793 361 2HB ALA 44 HB3 ALA 44 72.445 -2.314 -4.945 362 3HB ALA 44 HB2 ALA 44 72.741 -2.470 -6.676 363 H LYS 45 HN LYS 45 72.003 0.743 -4.424 364 HA LYS 45 HA LYS 45 70.569 -0.012 -2.146 365 1HB LYS 45 HB2 LYS 45 72.073 2.209 -3.068 366 2HB LYS 45 HB1 LYS 45 70.574 2.852 -2.382 367 1HG LYS 45 HG2 LYS 45 71.357 2.457 -0.315 368 2HG LYS 45 HG1 LYS 45 71.458 0.737 -0.693 369 1HD LYS 45 HD2 LYS 45 73.623 2.097 -1.993 370 2HD LYS 45 HD1 LYS 45 73.608 2.545 -0.286 371 1HE LYS 45 HE2 LYS 45 73.172 -0.093 -0.004 372 2HE LYS 45 HE1 LYS 45 74.073 -0.125 -1.532 373 1HZ LYS 45 HZ3 LYS 45 75.685 1.431 -0.443 374 2HZ LYS 45 HZ2 LYS 45 74.902 1.121 1.033 375 3HZ LYS 45 HZ1 LYS 45 75.678 -0.138 0.198 376 H PHE 46 HN PHE 46 69.390 1.610 -5.057 377 HA PHE 46 HA PHE 46 66.898 2.551 -4.005 378 1HB PHE 46 HB2 PHE 46 68.015 1.718 -6.668 379 2HB PHE 46 HB1 PHE 46 66.272 1.951 -6.542 380 HD1 PHE 46 HD1 PHE 46 68.211 3.892 -4.205 381 HD2 PHE 46 HD2 PHE 46 66.673 3.858 -8.217 382 HE1 PHE 46 HE1 PHE 46 68.524 6.347 -4.346 383 HE2 PHE 46 HE2 PHE 46 66.988 6.316 -8.358 384 HZ PHE 46 HZ PHE 46 67.913 7.559 -6.421 385 H LYS 47 HN LYS 47 68.068 -0.625 -4.900 386 HA LYS 47 HA LYS 47 65.500 -1.909 -4.798 387 1HB LYS 47 HB2 LYS 47 66.772 -3.828 -5.349 388 2HB LYS 47 HB1 LYS 47 67.780 -2.540 -5.993 389 1HG LYS 47 HG2 LYS 47 69.464 -3.122 -4.643 390 2HG LYS 47 HG1 LYS 47 68.437 -3.021 -3.214 391 1HD LYS 47 HD2 LYS 47 68.597 -5.266 -3.110 392 2HD LYS 47 HD1 LYS 47 67.538 -5.299 -4.520 393 1HE LYS 47 HE2 LYS 47 69.324 -5.561 -6.021 394 2HE LYS 47 HE1 LYS 47 70.513 -4.935 -4.860 395 1HZ LYS 47 HZ1 LYS 47 70.076 -6.852 -3.442 396 2HZ LYS 47 HZ3 LYS 47 68.974 -7.464 -4.577 397 3HZ LYS 47 HZ2 LYS 47 70.623 -7.349 -4.971 398 H GLU 48 HN GLU 48 67.632 -0.597 -2.537 399 HA GLU 48 HA GLU 48 66.871 -2.446 -0.399 400 1HB GLU 48 HB2 GLU 48 68.634 0.016 -0.494 401 2HB GLU 48 HB1 GLU 48 68.419 -0.988 0.939 402 1HG GLU 48 HG2 GLU 48 69.169 -2.406 -1.563 403 2HG GLU 48 HG1 GLU 48 70.413 -1.391 -0.832 404 H ILE 49 HN ILE 49 66.392 0.926 -1.378 405 HA ILE 49 HA ILE 49 64.297 1.158 0.744 406 HB ILE 49 HB ILE 49 65.709 3.226 -0.957 407 1HG1 ILE 49 HG12 ILE 49 66.492 3.655 1.622 408 2HG1 ILE 49 HG11 ILE 49 66.385 1.891 1.582 409 1HG2 ILE 49 HG23 ILE 49 63.368 3.700 -0.057 410 2HG2 ILE 49 HG22 ILE 49 64.095 3.652 1.550 411 3HG2 ILE 49 HG21 ILE 49 64.629 4.855 0.377 412 1HD1 ILE 49 HD13 ILE 49 67.702 3.361 -0.673 413 2HD1 ILE 49 HD12 ILE 49 68.602 3.037 0.809 414 3HD1 ILE 49 HD11 ILE 49 67.947 1.701 -0.137 415 H LYS 50 HN LYS 50 64.970 1.747 -2.720 416 HA LYS 50 HA LYS 50 62.273 2.634 -3.195 417 1HB LYS 50 HB2 LYS 50 64.591 2.875 -4.510 418 2HB LYS 50 HB1 LYS 50 63.995 1.441 -5.346 419 1HG LYS 50 HG2 LYS 50 61.772 3.112 -5.243 420 2HG LYS 50 HG1 LYS 50 63.110 4.214 -5.572 421 1HD LYS 50 HD2 LYS 50 63.466 3.360 -7.649 422 2HD LYS 50 HD1 LYS 50 63.194 1.701 -7.114 423 1HE LYS 50 HE2 LYS 50 61.256 1.916 -8.333 424 2HE LYS 50 HE1 LYS 50 60.670 2.740 -6.874 425 1HZ LYS 50 HZ2 LYS 50 61.812 4.784 -7.860 426 2HZ LYS 50 HZ1 LYS 50 61.804 3.931 -9.330 427 3HZ LYS 50 HZ3 LYS 50 60.339 4.299 -8.557 428 H GLU 51 HN GLU 51 63.869 -0.484 -3.013 429 HA GLU 51 HA GLU 51 61.607 -1.854 -4.367 430 1HB GLU 51 HB2 GLU 51 63.526 -2.999 -4.878 431 2HB GLU 51 HB1 GLU 51 64.361 -2.286 -3.521 432 1HG GLU 51 HG2 GLU 51 64.158 -4.759 -3.309 433 2HG GLU 51 HG1 GLU 51 63.387 -3.894 -1.980 434 H ALA 52 HN ALA 52 62.933 -1.216 -1.180 435 HA ALA 52 HA ALA 52 60.982 -2.936 0.221 436 1HB ALA 52 HB3 ALA 52 63.431 -2.533 0.834 437 2HB ALA 52 HB2 ALA 52 62.956 -0.901 1.300 438 3HB ALA 52 HB1 ALA 52 62.284 -2.290 2.150 439 H TYR 53 HN TYR 53 61.814 0.530 0.087 440 HA TYR 53 HA TYR 53 59.459 1.379 1.545 441 1HB TYR 53 HB2 TYR 53 60.786 3.177 1.744 442 2HB TYR 53 HB1 TYR 53 61.979 2.339 0.784 443 HD1 TYR 53 HD1 TYR 53 60.834 2.393 -1.929 444 HD2 TYR 53 HD2 TYR 53 60.810 5.396 1.136 445 HE1 TYR 53 HE1 TYR 53 60.743 4.154 -3.660 446 HE2 TYR 53 HE2 TYR 53 60.703 7.160 -0.595 447 HH TYR 53 HH TYR 53 61.378 6.614 -3.819 448 H GLU 54 HN GLU 54 59.608 0.100 -1.474 449 HA GLU 54 HA GLU 54 57.934 2.024 -2.916 450 1HB GLU 54 HB2 GLU 54 59.110 0.774 -4.434 451 2HB GLU 54 HB1 GLU 54 59.272 -0.588 -3.332 452 1HG GLU 54 HG2 GLU 54 57.332 -1.585 -4.069 453 2HG GLU 54 HG1 GLU 54 56.549 -0.046 -4.419 454 H VAL 55 HN VAL 55 57.431 -0.418 -0.557 455 HA VAL 55 HA VAL 55 54.506 -0.371 -1.157 456 HB VAL 55 HB VAL 55 54.562 -2.623 -1.323 457 1HG1 VAL 55 HG11 VAL 55 57.478 -2.180 -0.902 458 2HG1 VAL 55 HG13 VAL 55 56.845 -3.814 -0.890 459 3HG1 VAL 55 HG12 VAL 55 56.623 -2.803 -2.311 460 1HG2 VAL 55 HG23 VAL 55 55.869 -2.597 1.405 461 2HG2 VAL 55 HG22 VAL 55 54.144 -2.742 1.070 462 3HG2 VAL 55 HG21 VAL 55 55.243 -4.042 0.610 463 H LEU 56 HN LEU 56 56.730 0.805 0.880 464 HA LEU 56 HA LEU 56 55.596 0.193 3.483 465 1HB LEU 56 HB2 LEU 56 57.752 1.662 2.242 466 2HB LEU 56 HB1 LEU 56 57.003 2.640 3.508 467 HG LEU 56 HG LEU 56 57.322 0.887 5.144 468 1HD1 LEU 56 HD11 LEU 56 57.307 -0.785 2.869 469 2HD1 LEU 56 HD13 LEU 56 58.903 -0.970 3.595 470 3HD1 LEU 56 HD12 LEU 56 57.458 -1.280 4.554 471 1HD2 LEU 56 HD23 LEU 56 59.548 1.954 3.563 472 2HD2 LEU 56 HD22 LEU 56 59.366 1.851 5.315 473 3HD2 LEU 56 HD21 LEU 56 59.968 0.463 4.408 474 H THR 57 HN THR 57 54.418 1.981 0.908 475 HA THR 57 HA THR 57 53.047 4.001 2.631 476 HB THR 57 HB THR 57 53.214 5.355 0.806 477 HG1 THR 57 HG1 THR 57 51.467 4.293 -0.159 478 1HG2 THR 57 HG22 THR 57 55.417 4.047 0.730 479 2HG2 THR 57 HG21 THR 57 54.709 3.141 -0.607 480 3HG2 THR 57 HG23 THR 57 54.952 4.882 -0.751 481 H ASP 58 HN ASP 58 52.561 1.013 1.046 482 HA ASP 58 HA ASP 58 49.604 1.386 0.897 483 1HB ASP 58 HB2 ASP 58 50.928 0.553 -1.050 484 2HB ASP 58 HB1 ASP 58 51.436 -0.833 -0.077 485 H SER 59 HN SER 59 48.411 -0.782 1.544 486 HA SER 59 HA SER 59 49.434 -1.561 4.245 487 1HB SER 59 HB2 SER 59 47.134 -0.416 3.662 488 2HB SER 59 HB1 SER 59 46.655 -2.049 3.206 489 HG SER 59 HG SER 59 46.232 -2.067 5.305 490 H GLN 60 HN GLN 60 48.323 -2.868 1.147 491 HA GLN 60 HA GLN 60 48.569 -5.656 2.150 492 1HB GLN 60 HB2 GLN 60 47.545 -6.183 -0.004 493 2HB GLN 60 HB1 GLN 60 46.668 -4.839 0.731 494 1HG GLN 60 HG2 GLN 60 48.459 -3.401 -0.601 495 2HG GLN 60 HG1 GLN 60 48.515 -4.837 -1.620 496 1HE2 GLN 60 HE21 GLN 60 46.143 -2.575 -0.133 497 2HE2 GLN 60 HE22 GLN 60 45.025 -2.665 -1.407 498 H LYS 61 HN LYS 61 50.131 -3.408 -0.092 499 HA LYS 61 HA LYS 61 51.861 -5.064 -1.518 500 1HB LYS 61 HB2 LYS 61 51.347 -2.372 -1.047 501 2HB LYS 61 HB1 LYS 61 53.011 -2.563 -0.512 502 1HG LYS 61 HG2 LYS 61 53.591 -3.583 -2.679 503 2HG LYS 61 HG1 LYS 61 51.913 -3.427 -3.203 504 1HD LYS 61 HD2 LYS 61 52.706 -0.874 -2.253 505 2HD LYS 61 HD1 LYS 61 54.007 -1.452 -3.298 506 1HE LYS 61 HE2 LYS 61 51.187 -1.819 -4.248 507 2HE LYS 61 HE1 LYS 61 51.908 -0.199 -4.345 508 1HZ LYS 61 HZ3 LYS 61 53.947 -1.692 -5.161 509 2HZ LYS 61 HZ2 LYS 61 52.662 -2.644 -5.733 510 3HZ LYS 61 HZ1 LYS 61 52.811 -1.025 -6.229 511 H ARG 62 HN ARG 62 52.080 -3.785 1.764 512 HA ARG 62 HA ARG 62 54.739 -4.614 2.366 513 1HB ARG 62 HB2 ARG 62 52.224 -4.352 4.057 514 2HB ARG 62 HB1 ARG 62 53.865 -4.395 4.703 515 1HG ARG 62 HG2 ARG 62 54.424 -2.310 3.755 516 2HG ARG 62 HG1 ARG 62 53.089 -2.378 2.605 517 1HD ARG 62 HD2 ARG 62 52.663 -0.782 4.498 518 2HD ARG 62 HD1 ARG 62 51.467 -2.092 4.432 519 HE ARG 62 HE ARG 62 53.880 -2.480 6.128 520 1HH1 ARG 62 HH21 ARG 62 51.995 -4.490 6.653 521 2HH1 ARG 62 HH22 ARG 62 50.954 -3.853 7.882 522 1HH2 ARG 62 HH11 ARG 62 51.889 -0.559 7.335 523 2HH2 ARG 62 HH12 ARG 62 50.894 -1.626 8.269 524 H ALA 63 HN ALA 63 51.689 -6.271 2.154 525 HA ALA 63 HA ALA 63 52.848 -8.790 3.251 526 1HB ALA 63 HB2 ALA 63 50.562 -7.753 3.891 527 2HB ALA 63 HB1 ALA 63 50.029 -8.242 2.284 528 3HB ALA 63 HB3 ALA 63 50.555 -9.459 3.445 529 H ALA 64 HN ALA 64 51.978 -7.136 0.358 530 HA ALA 64 HA ALA 64 51.838 -9.528 -1.359 531 1HB ALA 64 HB1 ALA 64 50.705 -7.067 -1.393 532 2HB ALA 64 HB3 ALA 64 52.116 -6.746 -2.401 533 3HB ALA 64 HB2 ALA 64 50.965 -8.000 -2.866 534 H TYR 65 HN TYR 65 53.839 -6.594 -1.177 535 HA TYR 65 HA TYR 65 55.826 -7.489 -3.047 536 1HB TYR 65 HB2 TYR 65 55.070 -5.224 -1.575 537 2HB TYR 65 HB1 TYR 65 56.707 -5.591 -1.049 538 HD1 TYR 65 HD1 TYR 65 54.655 -5.265 -4.166 539 HD2 TYR 65 HD2 TYR 65 58.538 -4.938 -2.362 540 HE1 TYR 65 HE1 TYR 65 55.560 -4.341 -6.282 541 HE2 TYR 65 HE2 TYR 65 59.444 -4.015 -4.478 542 HH TYR 65 HH TYR 65 58.738 -4.207 -7.014 543 H ASP 66 HN ASP 66 55.553 -7.642 0.487 544 HA ASP 66 HA ASP 66 58.155 -8.318 1.188 545 1HB ASP 66 HB2 ASP 66 57.065 -9.515 3.079 546 2HB ASP 66 HB1 ASP 66 56.283 -7.970 2.745 547 H GLN 67 HN GLN 67 55.797 -10.232 -0.571 548 HA GLN 67 HA GLN 67 57.693 -12.560 -0.507 549 1HB GLN 67 HB2 GLN 67 55.690 -13.926 -0.858 550 2HB GLN 67 HB1 GLN 67 55.447 -12.867 0.531 551 1HG GLN 67 HG2 GLN 67 54.079 -11.368 -0.724 552 2HG GLN 67 HG1 GLN 67 54.550 -12.108 -2.255 553 1HE2 GLN 67 HE22 GLN 67 52.426 -14.994 -1.768 554 2HE2 GLN 67 HE21 GLN 67 53.918 -14.541 -2.438 555 H TYR 68 HN TYR 68 56.373 -10.118 -2.505 556 HA TYR 68 HA TYR 68 56.948 -11.737 -4.964 557 1HB TYR 68 HB2 TYR 68 54.882 -9.843 -4.139 558 2HB TYR 68 HB1 TYR 68 55.606 -9.402 -5.688 559 HD1 TYR 68 HD2 TYR 68 56.244 -11.846 -7.013 560 HD2 TYR 68 HD1 TYR 68 52.882 -10.990 -4.480 561 HE1 TYR 68 HE2 TYR 68 54.943 -13.635 -8.132 562 HE2 TYR 68 HE1 TYR 68 51.581 -12.781 -5.599 563 HH TYR 68 HH TYR 68 51.616 -13.947 -7.840 564 H GLY 69 HN GLY 69 57.229 -9.610 -6.746 565 1HA GLY 69 HA2 GLY 69 58.592 -7.429 -6.712 566 2HA GLY 69 HA1 GLY 69 59.773 -8.364 -5.792 567 H HIS 70 HN HIS 70 58.433 -10.518 -7.877 568 HA HIS 70 HA HIS 70 60.618 -10.105 -9.874 569 1HB HIS 70 HB2 HIS 70 60.619 -12.152 -8.440 570 2HB HIS 70 HB1 HIS 70 59.028 -12.570 -9.089 571 HD1 HIS 70 HD1 HIS 70 61.477 -11.037 -11.429 572 HD2 HIS 70 HD2 HIS 70 60.233 -14.873 -10.374 573 HE1 HIS 70 HE1 HIS 70 62.376 -12.596 -13.211 574 H ALA 71 HN ALA 71 58.321 -12.406 -10.809 575 HA ALA 71 HA ALA 71 57.281 -10.618 -12.918 576 1HB ALA 71 HB3 ALA 71 57.999 -13.315 -12.658 577 2HB ALA 71 HB2 ALA 71 56.239 -13.343 -12.763 578 3HB ALA 71 HB1 ALA 71 57.187 -12.590 -14.046 579 H ALA 72 HN ALA 72 56.540 -10.629 -9.897 580 HA ALA 72 HA ALA 72 54.072 -11.551 -9.202 581 1HB ALA 72 HB3 ALA 72 55.625 -9.945 -7.993 582 2HB ALA 72 HB2 ALA 72 54.886 -8.645 -8.929 583 3HB ALA 72 HB1 ALA 72 53.908 -9.591 -7.808 584 H PHE 73 HN PHE 73 54.647 -8.889 -11.508 585 HA PHE 73 HA PHE 73 51.709 -8.894 -12.101 586 1HB PHE 73 HB2 PHE 73 53.726 -6.841 -11.587 587 2HB PHE 73 HB1 PHE 73 52.834 -6.542 -13.077 588 HD1 PHE 73 HD2 PHE 73 50.207 -7.775 -12.409 589 HD2 PHE 73 HD1 PHE 73 52.798 -5.276 -10.065 590 HE1 PHE 73 HE2 PHE 73 48.260 -7.002 -11.080 591 HE2 PHE 73 HE1 PHE 73 50.851 -4.505 -8.735 592 HZ PHE 73 HZ PHE 73 48.583 -5.368 -9.242 593 H GLU 74 HN GLU 74 54.971 -8.944 -13.483 594 HA GLU 74 HA GLU 74 54.025 -10.206 -15.919 595 1HB GLU 74 HB2 GLU 74 54.549 -8.263 -17.397 596 2HB GLU 74 HB1 GLU 74 53.231 -7.911 -16.278 597 1HG GLU 74 HG2 GLU 74 54.427 -6.320 -15.189 598 2HG GLU 74 HG1 GLU 74 55.894 -7.298 -15.189 599 H GLN 75 HN GLN 75 56.392 -8.490 -17.209 600 HA GLN 75 HA GLN 75 58.702 -8.849 -17.542 601 1HB GLN 75 HB2 GLN 75 58.271 -8.256 -14.941 602 2HB GLN 75 HB1 GLN 75 58.962 -9.868 -14.755 603 1HG GLN 75 HG2 GLN 75 60.968 -8.821 -14.893 604 2HG GLN 75 HG1 GLN 75 60.639 -8.738 -16.623 605 1HE2 GLN 75 HE22 GLN 75 59.366 -5.276 -16.262 606 2HE2 GLN 75 HE21 GLN 75 58.796 -6.739 -16.907 607 H GLY 76 HN GLY 76 56.609 -11.171 -17.592 608 1HA GLY 76 HA2 GLY 76 58.646 -13.298 -17.924 609 2HA GLY 76 HA1 GLY 76 57.312 -13.631 -16.818 610 H GLY 77 HN GLY 77 56.617 -11.602 -19.525 611 1HA GLY 77 HA2 GLY 77 56.097 -13.012 -21.727 612 2HA GLY 77 HA1 GLY 77 54.912 -13.750 -20.647 No H/Q in entry = 612 Start of MODEL 20 1 1H ALA 1 HT1 ALA 1 68.359 -12.636 6.774 2 2H ALA 1 HT3 ALA 1 68.824 -12.021 5.264 3 3H ALA 1 HT2 ALA 1 67.832 -11.096 6.287 4 HA ALA 1 HA ALA 1 66.530 -12.091 4.489 5 1HB ALA 1 HB2 ALA 1 68.156 -13.977 4.261 6 2HB ALA 1 HB1 ALA 1 67.536 -14.656 5.766 7 3HB ALA 1 HB3 ALA 1 66.486 -14.538 4.354 8 H LYS 2 HN LYS 2 66.889 -12.132 7.843 9 HA LYS 2 HA LYS 2 64.058 -13.025 8.267 10 1HB LYS 2 HB2 LYS 2 66.625 -13.276 9.705 11 2HB LYS 2 HB1 LYS 2 65.250 -12.876 10.737 12 1HG LYS 2 HG2 LYS 2 65.025 -15.171 10.716 13 2HG LYS 2 HG1 LYS 2 64.088 -14.790 9.271 14 1HD LYS 2 HD2 LYS 2 66.461 -14.943 8.098 15 2HD LYS 2 HD1 LYS 2 66.836 -15.953 9.495 16 1HE LYS 2 HE2 LYS 2 64.363 -16.922 8.739 17 2HE LYS 2 HE1 LYS 2 65.123 -16.552 7.179 18 1HZ LYS 2 HZ3 LYS 2 67.194 -17.591 8.386 19 2HZ LYS 2 HZ2 LYS 2 65.997 -18.397 9.283 20 3HZ LYS 2 HZ1 LYS 2 66.062 -18.576 7.595 21 H GLN 3 HN GLN 3 65.016 -10.303 7.369 22 HA GLN 3 HA GLN 3 63.730 -8.741 9.579 23 1HB GLN 3 HB2 GLN 3 66.380 -8.375 8.202 24 2HB GLN 3 HB1 GLN 3 65.518 -6.962 8.811 25 1HG GLN 3 HG2 GLN 3 66.831 -7.575 10.653 26 2HG GLN 3 HG1 GLN 3 65.293 -8.360 11.009 27 1HE2 GLN 3 HE22 GLN 3 67.350 -11.243 11.486 28 2HE2 GLN 3 HE21 GLN 3 66.522 -9.997 12.288 29 H ASP 4 HN ASP 4 61.946 -7.859 8.716 30 HA ASP 4 HA ASP 4 61.204 -7.702 6.022 31 1HB ASP 4 HB2 ASP 4 59.924 -7.335 8.224 32 2HB ASP 4 HB1 ASP 4 60.492 -5.666 8.135 33 H TYR 5 HN TYR 5 60.795 -5.463 4.883 34 HA TYR 5 HA TYR 5 63.365 -3.931 4.972 35 1HB TYR 5 HB2 TYR 5 61.852 -3.449 2.578 36 2HB TYR 5 HB1 TYR 5 63.417 -4.243 2.743 37 HD1 TYR 5 HD2 TYR 5 63.311 -6.750 3.611 38 HD2 TYR 5 HD1 TYR 5 60.056 -4.668 1.743 39 HE1 TYR 5 HE2 TYR 5 62.264 -8.920 3.023 40 HE2 TYR 5 HE1 TYR 5 59.004 -6.837 1.155 41 HH TYR 5 HH TYR 5 59.041 -9.158 1.896 42 H TYR 6 HN TYR 6 60.560 -3.559 6.377 43 HA TYR 6 HA TYR 6 59.708 -0.942 5.360 44 1HB TYR 6 HB2 TYR 6 57.853 -1.491 6.529 45 2HB TYR 6 HB1 TYR 6 58.619 -3.045 6.832 46 HD1 TYR 6 HD2 TYR 6 58.934 0.473 8.171 47 HD2 TYR 6 HD1 TYR 6 58.605 -3.722 9.044 48 HE1 TYR 6 HE2 TYR 6 59.003 0.963 10.590 49 HE2 TYR 6 HE1 TYR 6 58.661 -3.215 11.469 50 HH TYR 6 HH TYR 6 59.626 -1.264 12.916 51 H GLU 7 HN GLU 7 61.288 -2.221 8.272 52 HA GLU 7 HA GLU 7 61.907 0.380 9.357 53 1HB GLU 7 HB2 GLU 7 61.869 -2.254 10.197 54 2HB GLU 7 HB1 GLU 7 63.598 -1.906 10.124 55 1HG GLU 7 HG2 GLU 7 61.553 -0.189 11.564 56 2HG GLU 7 HG1 GLU 7 62.612 -1.360 12.350 57 H ILE 8 HN ILE 8 63.519 -1.873 7.180 58 HA ILE 8 HA ILE 8 66.178 -1.043 7.260 59 HB ILE 8 HB ILE 8 64.357 -2.398 5.495 60 1HG1 ILE 8 HG12 ILE 8 67.091 -2.769 4.742 61 2HG1 ILE 8 HG11 ILE 8 67.024 -2.572 6.494 62 1HG2 ILE 8 HG23 ILE 8 66.208 -0.421 4.143 63 2HG2 ILE 8 HG22 ILE 8 65.607 -1.867 3.333 64 3HG2 ILE 8 HG21 ILE 8 64.477 -0.632 3.884 65 1HD1 ILE 8 HD13 ILE 8 65.151 -4.272 6.518 66 2HD1 ILE 8 HD12 ILE 8 65.494 -4.574 4.814 67 3HD1 ILE 8 HD11 ILE 8 66.720 -4.916 6.035 68 H LEU 9 HN LEU 9 63.368 0.730 6.126 69 HA LEU 9 HA LEU 9 65.121 2.891 5.035 70 1HB LEU 9 HB2 LEU 9 62.104 2.782 4.967 71 2HB LEU 9 HB1 LEU 9 63.203 3.538 3.815 72 HG LEU 9 HG LEU 9 63.070 0.543 4.259 73 1HD1 LEU 9 HD11 LEU 9 61.270 2.312 2.825 74 2HD1 LEU 9 HD13 LEU 9 62.041 1.159 1.735 75 3HD1 LEU 9 HD12 LEU 9 61.127 0.582 3.127 76 1HD2 LEU 9 HD22 LEU 9 64.369 2.355 2.212 77 2HD2 LEU 9 HD21 LEU 9 65.157 1.195 3.281 78 3HD2 LEU 9 HD23 LEU 9 64.154 0.624 1.950 79 H GLY 10 HN GLY 10 64.673 2.297 7.991 80 1HA GLY 10 HA2 GLY 10 64.076 3.470 9.954 81 2HA GLY 10 HA1 GLY 10 64.591 4.888 9.033 82 H VAL 11 HN VAL 11 61.798 2.702 9.418 83 HA VAL 11 HA VAL 11 59.987 5.064 9.209 84 HB VAL 11 HB VAL 11 59.478 2.532 7.641 85 1HG1 VAL 11 HG13 VAL 11 58.091 4.939 8.049 86 2HG1 VAL 11 HG12 VAL 11 58.742 5.047 6.414 87 3HG1 VAL 11 HG11 VAL 11 57.715 3.686 6.868 88 1HG2 VAL 11 HG22 VAL 11 61.289 4.832 6.915 89 2HG2 VAL 11 HG21 VAL 11 61.597 3.102 6.766 90 3HG2 VAL 11 HG23 VAL 11 60.465 3.895 5.670 91 H SER 12 HN SER 12 57.629 3.419 9.057 92 HA SER 12 HA SER 12 57.742 1.874 11.616 93 1HB SER 12 HB2 SER 12 56.663 3.919 12.130 94 2HB SER 12 HB1 SER 12 55.845 3.975 10.572 95 HG SER 12 HG SER 12 55.370 2.197 12.734 96 H LYS 13 HN LYS 13 57.133 1.814 8.316 97 HA LYS 13 HA LYS 13 56.323 0.067 6.964 98 1HB LYS 13 HB2 LYS 13 56.420 -1.941 7.969 99 2HB LYS 13 HB1 LYS 13 56.767 -1.069 9.457 100 1HG LYS 13 HG2 LYS 13 54.153 -0.868 9.642 101 2HG LYS 13 HG1 LYS 13 54.156 -2.229 8.523 102 1HD LYS 13 HD2 LYS 13 55.395 -3.598 10.041 103 2HD LYS 13 HD1 LYS 13 55.781 -2.220 11.073 104 1HE LYS 13 HE2 LYS 13 53.489 -2.021 11.805 105 2HE LYS 13 HE1 LYS 13 52.946 -3.203 10.595 106 1HZ LYS 13 HZ1 LYS 13 54.888 -4.572 11.773 107 2HZ LYS 13 HZ3 LYS 13 54.380 -3.636 13.093 108 3HZ LYS 13 HZ2 LYS 13 53.272 -4.643 12.288 109 H THR 14 HN THR 14 54.254 1.252 9.599 110 HA THR 14 HA THR 14 51.823 0.872 7.961 111 HB THR 14 HB THR 14 50.704 1.492 9.984 112 HG1 THR 14 HG1 THR 14 51.617 2.745 11.493 113 1HG2 THR 14 HG23 THR 14 52.013 -0.669 10.070 114 2HG2 THR 14 HG22 THR 14 53.278 0.211 10.929 115 3HG2 THR 14 HG21 THR 14 51.675 0.047 11.644 116 H ALA 15 HN ALA 15 54.338 2.971 7.924 117 HA ALA 15 HA ALA 15 53.068 5.566 7.909 118 1HB ALA 15 HB3 ALA 15 55.489 5.140 8.296 119 2HB ALA 15 HB2 ALA 15 55.635 4.526 6.649 120 3HB ALA 15 HB1 ALA 15 55.251 6.225 6.925 121 H GLU 16 HN GLU 16 53.995 6.675 5.588 122 HA GLU 16 HA GLU 16 52.817 5.165 3.319 123 1HB GLU 16 HB2 GLU 16 52.014 7.951 4.249 124 2HB GLU 16 HB1 GLU 16 51.426 7.163 2.780 125 1HG GLU 16 HG2 GLU 16 50.889 5.236 4.631 126 2HG GLU 16 HG1 GLU 16 50.674 6.692 5.604 127 H GLU 17 HN GLU 17 53.018 8.290 2.404 128 HA GLU 17 HA GLU 17 55.722 7.945 1.260 129 1HB GLU 17 HB2 GLU 17 53.367 9.792 0.866 130 2HB GLU 17 HB1 GLU 17 54.929 10.156 0.132 131 1HG GLU 17 HG2 GLU 17 53.971 7.373 -0.219 132 2HG GLU 17 HG1 GLU 17 53.047 8.611 -1.069 133 H ARG 18 HN ARG 18 54.001 9.901 3.615 134 HA ARG 18 HA ARG 18 55.664 12.103 3.941 135 1HB ARG 18 HB2 ARG 18 54.519 12.374 5.960 136 2HB ARG 18 HB1 ARG 18 53.453 11.271 5.096 137 1HG ARG 18 HG2 ARG 18 55.617 10.228 6.935 138 2HG ARG 18 HG1 ARG 18 54.038 10.699 7.551 139 1HD ARG 18 HD2 ARG 18 53.707 9.033 5.203 140 2HD ARG 18 HD1 ARG 18 54.709 8.210 6.413 141 HE ARG 18 HE ARG 18 52.678 7.947 7.587 142 1HH1 ARG 18 HH21 ARG 18 51.771 10.071 5.254 143 2HH1 ARG 18 HH22 ARG 18 50.758 11.063 6.248 144 1HH2 ARG 18 HH11 ARG 18 51.817 9.622 9.223 145 2HH2 ARG 18 HH12 ARG 18 50.780 10.805 8.496 146 H GLU 19 HN GLU 19 56.291 8.817 5.219 147 HA GLU 19 HA GLU 19 58.819 9.904 6.371 148 1HB GLU 19 HB2 GLU 19 56.936 7.956 7.192 149 2HB GLU 19 HB1 GLU 19 58.423 7.084 6.800 150 1HG GLU 19 HG2 GLU 19 59.633 8.114 8.443 151 2HG GLU 19 HG1 GLU 19 58.737 9.626 8.300 152 H ILE 20 HN ILE 20 57.584 7.421 4.166 153 HA ILE 20 HA ILE 20 60.097 6.382 3.404 154 HB ILE 20 HB ILE 20 57.329 6.270 2.633 155 1HG1 ILE 20 HG12 ILE 20 57.994 4.019 1.951 156 2HG1 ILE 20 HG11 ILE 20 59.690 4.499 1.977 157 1HG2 ILE 20 HG22 ILE 20 59.308 6.652 0.393 158 2HG2 ILE 20 HG21 ILE 20 57.915 5.594 0.177 159 3HG2 ILE 20 HG23 ILE 20 57.676 7.302 0.547 160 1HD1 ILE 20 HD13 ILE 20 59.073 5.221 4.468 161 2HD1 ILE 20 HD12 ILE 20 57.831 3.988 4.261 162 3HD1 ILE 20 HD11 ILE 20 59.534 3.563 4.082 163 H ARG 21 HN ARG 21 58.704 9.508 2.879 164 HA ARG 21 HA ARG 21 60.311 10.038 0.476 165 1HB ARG 21 HB2 ARG 21 59.120 12.127 0.447 166 2HB ARG 21 HB1 ARG 21 57.959 10.900 0.949 167 1HG ARG 21 HG2 ARG 21 58.327 11.492 3.299 168 2HG ARG 21 HG1 ARG 21 59.518 12.701 2.822 169 1HD ARG 21 HD2 ARG 21 57.682 13.793 1.424 170 2HD ARG 21 HD1 ARG 21 56.540 12.716 2.252 171 HE ARG 21 HE ARG 21 56.784 14.089 4.150 172 1HH1 ARG 21 HH11 ARG 21 59.133 14.917 1.829 173 2HH1 ARG 21 HH12 ARG 21 60.148 15.777 2.938 174 1HH2 ARG 21 HH21 ARG 21 58.282 14.915 5.731 175 2HH2 ARG 21 HH22 ARG 21 59.666 15.777 5.146 176 H LYS 22 HN LYS 22 60.342 10.973 3.892 177 HA LYS 22 HA LYS 22 62.834 12.493 3.483 178 1HB LYS 22 HB2 LYS 22 62.479 12.969 5.932 179 2HB LYS 22 HB1 LYS 22 61.128 13.469 4.912 180 1HG LYS 22 HG2 LYS 22 59.787 11.719 5.594 181 2HG LYS 22 HG1 LYS 22 61.157 10.706 6.040 182 1HD LYS 22 HD2 LYS 22 60.201 13.170 7.529 183 2HD LYS 22 HD1 LYS 22 60.034 11.500 8.071 184 1HE LYS 22 HE2 LYS 22 62.641 11.410 7.799 185 2HE LYS 22 HE1 LYS 22 62.528 13.180 7.888 186 1HZ LYS 22 HZ2 LYS 22 60.912 11.669 9.782 187 2HZ LYS 22 HZ1 LYS 22 62.590 11.647 10.051 188 3HZ LYS 22 HZ3 LYS 22 61.759 13.126 9.998 189 H ALA 23 HN ALA 23 61.577 9.460 4.578 190 HA ALA 23 HA ALA 23 63.968 8.640 6.067 191 1HB ALA 23 HB1 ALA 23 61.499 7.834 6.240 192 2HB ALA 23 HB3 ALA 23 61.871 6.848 4.825 193 3HB ALA 23 HB2 ALA 23 62.763 6.610 6.327 194 H TYR 24 HN TYR 24 62.536 7.785 2.901 195 HA TYR 24 HA TYR 24 64.598 6.140 1.905 196 1HB TYR 24 HB2 TYR 24 62.507 6.411 0.745 197 2HB TYR 24 HB1 TYR 24 62.726 8.154 0.640 198 HD1 TYR 24 HD1 TYR 24 65.687 6.112 0.104 199 HD2 TYR 24 HD2 TYR 24 62.310 7.932 -1.828 200 HE1 TYR 24 HE1 TYR 24 66.808 5.864 -2.090 201 HE2 TYR 24 HE2 TYR 24 63.433 7.683 -4.022 202 HH TYR 24 HH TYR 24 65.440 5.856 -4.860 203 H LYS 25 HN LYS 25 64.285 9.653 2.054 204 HA LYS 25 HA LYS 25 66.812 10.151 0.638 205 1HB LYS 25 HB2 LYS 25 64.485 11.623 1.720 206 2HB LYS 25 HB1 LYS 25 66.010 12.509 1.777 207 1HG LYS 25 HG2 LYS 25 66.163 11.485 -0.728 208 2HG LYS 25 HG1 LYS 25 64.412 11.641 -0.570 209 1HD LYS 25 HD2 LYS 25 64.813 14.019 0.237 210 2HD LYS 25 HD1 LYS 25 66.491 13.820 -0.267 211 1HE LYS 25 HE2 LYS 25 65.316 12.987 -2.531 212 2HE LYS 25 HE1 LYS 25 64.034 14.067 -1.946 213 1HZ LYS 25 HZ1 LYS 25 66.880 14.874 -1.910 214 2HZ LYS 25 HZ3 LYS 25 65.913 15.122 -3.282 215 3HZ LYS 25 HZ2 LYS 25 65.499 15.859 -1.809 216 H ARG 26 HN ARG 26 65.561 10.432 3.992 217 HA ARG 26 HA ARG 26 68.038 11.464 5.093 218 1HB ARG 26 HB2 ARG 26 65.823 11.697 6.134 219 2HB ARG 26 HB1 ARG 26 65.727 9.947 6.346 220 1HG ARG 26 HG2 ARG 26 66.478 11.219 8.402 221 2HG ARG 26 HG1 ARG 26 67.587 9.953 7.872 222 1HD ARG 26 HD2 ARG 26 69.101 11.525 6.918 223 2HD ARG 26 HD1 ARG 26 67.899 12.832 6.980 224 HE ARG 26 HE ARG 26 68.688 11.564 9.547 225 1HH1 ARG 26 HH21 ARG 26 69.669 13.934 7.331 226 2HH1 ARG 26 HH22 ARG 26 69.810 15.201 8.503 227 1HH2 ARG 26 HH11 ARG 26 68.474 13.314 11.090 228 2HH2 ARG 26 HH12 ARG 26 69.135 14.849 10.634 229 H LEU 27 HN LEU 27 66.864 8.150 4.549 230 HA LEU 27 HA LEU 27 68.977 6.958 6.191 231 1HB LEU 27 HB2 LEU 27 66.540 6.200 4.946 232 2HB LEU 27 HB1 LEU 27 67.799 5.142 4.312 233 HG LEU 27 HG LEU 27 66.832 4.198 6.371 234 1HD1 LEU 27 HD11 LEU 27 69.608 4.824 5.932 235 2HD1 LEU 27 HD13 LEU 27 69.281 4.812 7.664 236 3HD1 LEU 27 HD12 LEU 27 68.909 3.392 6.687 237 1HD2 LEU 27 HD23 LEU 27 67.512 6.938 7.398 238 2HD2 LEU 27 HD22 LEU 27 66.050 5.984 7.654 239 3HD2 LEU 27 HD21 LEU 27 67.534 5.571 8.512 240 H ALA 28 HN ALA 28 68.554 7.710 2.750 241 HA ALA 28 HA ALA 28 70.771 6.086 1.828 242 1HB ALA 28 HB3 ALA 28 69.096 8.352 0.811 243 2HB ALA 28 HB2 ALA 28 70.554 7.898 -0.073 244 3HB ALA 28 HB1 ALA 28 69.266 6.718 0.169 245 H MET 29 HN MET 29 70.372 9.319 3.108 246 HA MET 29 HA MET 29 72.785 10.557 2.394 247 1HB MET 29 HB2 MET 29 71.085 10.482 4.883 248 2HB MET 29 HB1 MET 29 72.473 11.564 4.750 249 1HG MET 29 HG2 MET 29 71.121 11.926 2.345 250 2HG MET 29 HG1 MET 29 69.827 11.790 3.534 251 1HE MET 29 HE2 MET 29 69.948 13.836 1.916 252 2HE MET 29 HE1 MET 29 69.563 15.166 3.005 253 3HE MET 29 HE3 MET 29 71.066 15.188 2.073 254 H LYS 30 HN LYS 30 72.033 8.301 4.981 255 HA LYS 30 HA LYS 30 74.532 8.063 6.288 256 1HB LYS 30 HB2 LYS 30 71.971 6.717 5.976 257 2HB LYS 30 HB1 LYS 30 73.284 5.546 6.151 258 1HG LYS 30 HG2 LYS 30 73.619 6.071 8.329 259 2HG LYS 30 HG1 LYS 30 73.536 7.803 8.003 260 1HD LYS 30 HD2 LYS 30 70.948 7.235 7.658 261 2HD LYS 30 HD1 LYS 30 71.351 5.909 8.749 262 1HE LYS 30 HE2 LYS 30 71.399 7.318 10.522 263 2HE LYS 30 HE1 LYS 30 72.533 8.397 9.683 264 1HZ LYS 30 HZ3 LYS 30 69.691 8.280 8.892 265 2HZ LYS 30 HZ2 LYS 30 70.185 9.272 10.180 266 3HZ LYS 30 HZ1 LYS 30 70.819 9.518 8.623 267 H TYR 31 HN TYR 31 73.487 7.120 3.159 268 HA TYR 31 HA TYR 31 75.808 5.260 2.805 269 1HB TYR 31 HB2 TYR 31 73.376 5.675 1.037 270 2HB TYR 31 HB1 TYR 31 74.501 4.313 1.010 271 HD1 TYR 31 HD1 TYR 31 74.686 4.328 4.183 272 HD2 TYR 31 HD2 TYR 31 71.456 4.157 1.358 273 HE1 TYR 31 HE1 TYR 31 73.293 3.131 5.849 274 HE2 TYR 31 HE2 TYR 31 70.060 2.961 3.023 275 HH TYR 31 HH TYR 31 70.080 1.891 5.005 276 H HIS 32 HN HIS 32 73.991 7.862 1.147 277 HA HIS 32 HA HIS 32 75.322 8.476 -1.119 278 1HB HIS 32 HB2 HIS 32 74.268 10.041 1.156 279 2HB HIS 32 HB1 HIS 32 75.371 10.931 0.102 280 HD1 HIS 32 HD1 HIS 32 74.696 9.859 -2.635 281 HD2 HIS 32 HD2 HIS 32 71.757 10.711 0.197 282 HE1 HIS 32 HE1 HIS 32 72.542 10.209 -3.920 283 HA PRO 33 HA PRO 33 79.594 8.297 0.498 284 1HB PRO 33 HB2 PRO 33 80.647 7.795 -1.955 285 2HB PRO 33 HB1 PRO 33 79.908 6.503 -0.980 286 1HG PRO 33 HG2 PRO 33 78.632 8.218 -3.070 287 2HG PRO 33 HG1 PRO 33 78.696 6.442 -3.002 288 1HD PRO 33 HD2 PRO 33 76.546 7.657 -2.173 289 2HD PRO 33 HD1 PRO 33 77.241 6.386 -1.131 290 H ASP 34 HN ASP 34 77.858 10.025 -1.934 291 HA ASP 34 HA ASP 34 78.044 12.278 -2.625 292 1HB ASP 34 HB2 ASP 34 79.021 12.309 -0.221 293 2HB ASP 34 HB1 ASP 34 80.585 12.379 -1.030 294 H ARG 35 HN ARG 35 81.252 10.638 -2.384 295 HA ARG 35 HA ARG 35 82.517 11.782 -4.610 296 1HB ARG 35 HB2 ARG 35 83.879 9.843 -4.469 297 2HB ARG 35 HB1 ARG 35 83.207 9.972 -2.848 298 1HG ARG 35 HG2 ARG 35 81.380 8.390 -3.542 299 2HG ARG 35 HG1 ARG 35 82.208 8.175 -5.083 300 1HD ARG 35 HD2 ARG 35 82.772 6.386 -3.389 301 2HD ARG 35 HD1 ARG 35 84.195 7.298 -3.932 302 HE ARG 35 HE ARG 35 84.041 8.631 -1.852 303 1HH1 ARG 35 HH21 ARG 35 83.172 5.393 -1.828 304 2HH1 ARG 35 HH22 ARG 35 82.431 5.418 -0.262 305 1HH2 ARG 35 HH11 ARG 35 82.614 8.867 0.059 306 2HH2 ARG 35 HH12 ARG 35 82.115 7.386 0.807 307 H ASN 36 HN ASN 36 79.897 9.531 -4.330 308 HA ASN 36 HA ASN 36 79.771 8.871 -7.194 309 1HB ASN 36 HB2 ASN 36 79.053 7.794 -4.648 310 2HB ASN 36 HB1 ASN 36 77.573 7.999 -5.557 311 1HD2 ASN 36 HD22 ASN 36 78.272 5.436 -7.877 312 2HD2 ASN 36 HD21 ASN 36 77.226 6.695 -7.428 313 H GLN 37 HN GLN 37 76.790 8.726 -6.865 314 HA GLN 37 HA GLN 37 75.986 11.517 -6.587 315 1HB GLN 37 HB2 GLN 37 75.675 9.947 -9.162 316 2HB GLN 37 HB1 GLN 37 75.187 11.623 -8.901 317 1HG GLN 37 HG2 GLN 37 77.601 12.141 -8.351 318 2HG GLN 37 HG1 GLN 37 78.004 10.511 -8.894 319 1HE2 GLN 37 HE22 GLN 37 78.033 11.467 -12.274 320 2HE2 GLN 37 HE21 GLN 37 78.538 10.375 -11.077 321 H GLY 38 HN GLY 38 73.532 11.182 -7.905 322 1HA GLY 38 HA2 GLY 38 72.142 9.407 -5.988 323 2HA GLY 38 HA1 GLY 38 71.371 10.625 -7.011 324 H ASP 39 HN ASP 39 73.744 8.587 -8.441 325 HA ASP 39 HA ASP 39 71.615 6.847 -9.621 326 1HB ASP 39 HB2 ASP 39 73.495 8.814 -10.852 327 2HB ASP 39 HB1 ASP 39 73.115 7.354 -11.764 328 H LYS 40 HN LYS 40 75.026 7.306 -10.421 329 HA LYS 40 HA LYS 40 75.808 4.686 -10.750 330 1HB LYS 40 HB2 LYS 40 77.387 6.770 -9.287 331 2HB LYS 40 HB1 LYS 40 78.041 5.480 -10.271 332 1HG LYS 40 HG2 LYS 40 76.512 7.926 -11.160 333 2HG LYS 40 HG1 LYS 40 78.130 7.425 -11.630 334 1HD LYS 40 HD2 LYS 40 77.163 6.493 -13.441 335 2HD LYS 40 HD1 LYS 40 76.560 5.253 -12.339 336 1HE LYS 40 HE2 LYS 40 74.445 6.170 -12.244 337 2HE LYS 40 HE1 LYS 40 75.040 7.821 -12.502 338 1HZ LYS 40 HZ3 LYS 40 75.154 5.680 -14.560 339 2HZ LYS 40 HZ2 LYS 40 73.920 6.846 -14.484 340 3HZ LYS 40 HZ1 LYS 40 75.526 7.320 -14.770 341 H GLU 41 HN GLU 41 75.183 6.350 -7.754 342 HA GLU 41 HA GLU 41 75.939 3.886 -6.215 343 1HB GLU 41 HB2 GLU 41 77.143 5.724 -5.373 344 2HB GLU 41 HB1 GLU 41 75.806 6.843 -5.638 345 1HG GLU 41 HG2 GLU 41 75.462 4.576 -3.699 346 2HG GLU 41 HG1 GLU 41 76.356 6.013 -3.199 347 H ALA 42 HN ALA 42 73.324 5.987 -7.131 348 HA ALA 42 HA ALA 42 71.469 4.976 -5.084 349 1HB ALA 42 HB3 ALA 42 71.538 7.291 -6.243 350 2HB ALA 42 HB2 ALA 42 70.831 6.471 -7.636 351 3HB ALA 42 HB1 ALA 42 69.959 6.517 -6.104 352 H GLU 43 HN GLU 43 72.637 4.062 -8.193 353 HA GLU 43 HA GLU 43 70.454 2.729 -9.370 354 1HB GLU 43 HB2 GLU 43 72.749 3.168 -10.286 355 2HB GLU 43 HB1 GLU 43 73.364 1.879 -9.251 356 1HG GLU 43 HG2 GLU 43 72.674 0.294 -10.696 357 2HG GLU 43 HG1 GLU 43 71.051 0.980 -10.758 358 H ALA 44 HN ALA 44 72.853 1.382 -7.062 359 HA ALA 44 HA ALA 44 71.291 -1.119 -6.825 360 1HB ALA 44 HB1 ALA 44 73.851 0.038 -5.717 361 2HB ALA 44 HB3 ALA 44 73.172 -1.434 -5.020 362 3HB ALA 44 HB2 ALA 44 73.634 -1.394 -6.723 363 H LYS 45 HN LYS 45 72.102 1.687 -4.724 364 HA LYS 45 HA LYS 45 70.687 0.749 -2.438 365 1HB LYS 45 HB2 LYS 45 72.072 3.075 -3.293 366 2HB LYS 45 HB1 LYS 45 70.495 3.604 -2.685 367 1HG LYS 45 HG2 LYS 45 71.296 3.345 -0.599 368 2HG LYS 45 HG1 LYS 45 71.345 1.608 -0.904 369 1HD LYS 45 HD2 LYS 45 73.593 2.801 -2.200 370 2HD LYS 45 HD1 LYS 45 73.546 3.383 -0.536 371 1HE LYS 45 HE2 LYS 45 73.115 0.873 0.077 372 2HE LYS 45 HE1 LYS 45 73.787 0.549 -1.533 373 1HZ LYS 45 HZ3 LYS 45 75.179 2.526 0.090 374 2HZ LYS 45 HZ2 LYS 45 75.317 0.911 0.602 375 3HZ LYS 45 HZ1 LYS 45 75.807 1.354 -0.964 376 H PHE 46 HN PHE 46 69.530 2.075 -5.474 377 HA PHE 46 HA PHE 46 66.920 2.897 -4.557 378 1HB PHE 46 HB2 PHE 46 68.336 2.281 -7.079 379 2HB PHE 46 HB1 PHE 46 66.611 1.927 -7.142 380 HD1 PHE 46 HD1 PHE 46 68.654 4.607 -5.476 381 HD2 PHE 46 HD2 PHE 46 65.435 3.651 -8.155 382 HE1 PHE 46 HE1 PHE 46 68.159 7.022 -5.744 383 HE2 PHE 46 HE2 PHE 46 64.939 6.066 -8.421 384 HZ PHE 46 HZ PHE 46 66.301 7.751 -7.216 385 H LYS 47 HN LYS 47 68.388 -0.178 -5.378 386 HA LYS 47 HA LYS 47 65.947 -1.680 -5.286 387 1HB LYS 47 HB2 LYS 47 67.385 -3.460 -5.859 388 2HB LYS 47 HB1 LYS 47 68.331 -2.090 -6.420 389 1HG LYS 47 HG2 LYS 47 69.996 -2.685 -5.062 390 2HG LYS 47 HG1 LYS 47 68.944 -2.538 -3.656 391 1HD LYS 47 HD2 LYS 47 68.841 -4.929 -5.479 392 2HD LYS 47 HD1 LYS 47 69.947 -4.852 -4.105 393 1HE LYS 47 HE2 LYS 47 68.064 -4.514 -2.569 394 2HE LYS 47 HE1 LYS 47 66.935 -4.508 -3.938 395 1HZ LYS 47 HZ2 LYS 47 68.826 -6.736 -3.441 396 2HZ LYS 47 HZ1 LYS 47 67.254 -6.722 -2.797 397 3HZ LYS 47 HZ3 LYS 47 67.479 -6.717 -4.477 398 H GLU 48 HN GLU 48 67.984 -0.204 -3.023 399 HA GLU 48 HA GLU 48 67.338 -2.089 -0.880 400 1HB GLU 48 HB2 GLU 48 68.982 0.441 -1.076 401 2HB GLU 48 HB1 GLU 48 68.741 -0.413 0.448 402 1HG GLU 48 HG2 GLU 48 69.687 -2.470 -0.586 403 2HG GLU 48 HG1 GLU 48 69.999 -1.558 -2.063 404 H ILE 49 HN ILE 49 66.594 1.229 -1.889 405 HA ILE 49 HA ILE 49 64.475 1.257 0.227 406 HB ILE 49 HB ILE 49 65.818 3.488 -1.318 407 1HG1 ILE 49 HG12 ILE 49 66.488 3.873 1.278 408 2HG1 ILE 49 HG11 ILE 49 66.419 2.107 1.234 409 1HG2 ILE 49 HG23 ILE 49 63.610 3.341 0.685 410 2HG2 ILE 49 HG22 ILE 49 64.684 4.732 0.715 411 3HG2 ILE 49 HG21 ILE 49 63.760 4.366 -0.741 412 1HD1 ILE 49 HD13 ILE 49 67.692 3.064 -1.152 413 2HD1 ILE 49 HD12 ILE 49 68.489 3.773 0.254 414 3HD1 ILE 49 HD11 ILE 49 68.354 2.020 0.106 415 H LYS 50 HN LYS 50 65.202 1.961 -3.197 416 HA LYS 50 HA LYS 50 62.477 2.759 -3.706 417 1HB LYS 50 HB2 LYS 50 64.948 2.848 -5.004 418 2HB LYS 50 HB1 LYS 50 64.013 1.723 -5.988 419 1HG LYS 50 HG2 LYS 50 62.534 4.135 -5.144 420 2HG LYS 50 HG1 LYS 50 63.883 4.443 -6.239 421 1HD LYS 50 HD2 LYS 50 62.566 3.786 -7.944 422 2HD LYS 50 HD1 LYS 50 62.588 2.159 -7.262 423 1HE LYS 50 HE2 LYS 50 60.261 2.839 -7.492 424 2HE LYS 50 HE1 LYS 50 60.659 2.871 -5.762 425 1HZ LYS 50 HZ2 LYS 50 61.391 5.263 -6.228 426 2HZ LYS 50 HZ1 LYS 50 60.471 5.136 -7.652 427 3HZ LYS 50 HZ3 LYS 50 59.722 4.953 -6.140 428 H GLU 51 HN GLU 51 64.203 -0.279 -3.504 429 HA GLU 51 HA GLU 51 62.048 -1.746 -4.931 430 1HB GLU 51 HB2 GLU 51 64.022 -2.808 -5.387 431 2HB GLU 51 HB1 GLU 51 64.797 -2.055 -4.012 432 1HG GLU 51 HG2 GLU 51 64.737 -4.495 -3.729 433 2HG GLU 51 HG1 GLU 51 63.767 -3.695 -2.493 434 H ALA 52 HN ALA 52 63.281 -1.123 -1.686 435 HA ALA 52 HA ALA 52 61.326 -2.916 -0.389 436 1HB ALA 52 HB1 ALA 52 63.484 -0.991 0.529 437 2HB ALA 52 HB3 ALA 52 62.482 -1.909 1.654 438 3HB ALA 52 HB2 ALA 52 63.550 -2.754 0.533 439 H TYR 53 HN TYR 53 62.047 0.577 -0.499 440 HA TYR 53 HA TYR 53 59.636 1.318 0.949 441 1HB TYR 53 HB2 TYR 53 60.900 3.153 1.217 442 2HB TYR 53 HB1 TYR 53 62.138 2.375 0.264 443 HD1 TYR 53 HD2 TYR 53 60.986 2.462 -2.471 444 HD2 TYR 53 HD1 TYR 53 60.931 5.387 0.670 445 HE1 TYR 53 HE2 TYR 53 60.839 4.265 -4.156 446 HE2 TYR 53 HE1 TYR 53 60.792 7.193 -1.014 447 HH TYR 53 HH TYR 53 61.590 6.995 -4.003 448 H GLU 54 HN GLU 54 59.938 0.095 -2.064 449 HA GLU 54 HA GLU 54 58.256 1.931 -3.591 450 1HB GLU 54 HB2 GLU 54 59.358 0.674 -5.133 451 2HB GLU 54 HB1 GLU 54 59.804 -0.518 -3.918 452 1HG GLU 54 HG2 GLU 54 57.759 -1.732 -4.224 453 2HG GLU 54 HG1 GLU 54 57.050 -0.427 -5.175 454 H VAL 55 HN VAL 55 57.731 -0.415 -1.174 455 HA VAL 55 HA VAL 55 54.858 -0.671 -1.945 456 HB VAL 55 HB VAL 55 55.524 -2.870 -1.941 457 1HG1 VAL 55 HG11 VAL 55 57.898 -2.324 -1.718 458 2HG1 VAL 55 HG13 VAL 55 57.707 -2.188 0.030 459 3HG1 VAL 55 HG12 VAL 55 57.481 -3.746 -0.763 460 1HG2 VAL 55 HG22 VAL 55 54.390 -2.188 0.528 461 2HG2 VAL 55 HG21 VAL 55 54.533 -3.794 -0.152 462 3HG2 VAL 55 HG23 VAL 55 55.774 -3.198 0.941 463 H LEU 56 HN LEU 56 57.130 0.183 0.512 464 HA LEU 56 HA LEU 56 55.543 0.259 2.836 465 1HB LEU 56 HB2 LEU 56 57.924 1.500 1.650 466 2HB LEU 56 HB1 LEU 56 57.189 2.475 2.929 467 HG LEU 56 HG LEU 56 58.877 0.903 3.843 468 1HD1 LEU 56 HD12 LEU 56 56.036 0.971 4.568 469 2HD1 LEU 56 HD11 LEU 56 56.872 -0.463 5.166 470 3HD1 LEU 56 HD13 LEU 56 57.461 1.145 5.593 471 1HD2 LEU 56 HD23 LEU 56 57.230 -1.009 2.258 472 2HD2 LEU 56 HD22 LEU 56 58.962 -1.023 2.583 473 3HD2 LEU 56 HD21 LEU 56 57.830 -1.582 3.813 474 H THR 57 HN THR 57 55.280 2.126 -0.062 475 HA THR 57 HA THR 57 53.593 4.185 1.303 476 HB THR 57 HB THR 57 54.670 5.612 -0.090 477 HG1 THR 57 HG1 THR 57 53.430 5.641 -1.766 478 1HG2 THR 57 HG21 THR 57 56.534 3.928 0.011 479 2HG2 THR 57 HG23 THR 57 55.920 3.229 -1.487 480 3HG2 THR 57 HG22 THR 57 56.526 4.885 -1.471 481 H ASP 58 HN ASP 58 53.503 1.456 -0.814 482 HA ASP 58 HA ASP 58 50.769 2.151 -1.785 483 1HB ASP 58 HB2 ASP 58 52.788 1.364 -3.217 484 2HB ASP 58 HB1 ASP 58 52.460 -0.237 -2.544 485 H SER 59 HN SER 59 49.238 0.205 -1.846 486 HA SER 59 HA SER 59 49.424 -1.302 0.740 487 1HB SER 59 HB2 SER 59 47.575 0.432 0.239 488 2HB SER 59 HB1 SER 59 46.958 -0.740 -0.923 489 HG SER 59 HG SER 59 47.569 -1.547 1.698 490 H GLN 60 HN GLN 60 48.859 -1.493 -2.718 491 HA GLN 60 HA GLN 60 48.056 -4.276 -2.827 492 1HB GLN 60 HB2 GLN 60 48.451 -3.906 -5.234 493 2HB GLN 60 HB1 GLN 60 47.611 -2.518 -4.535 494 1HG GLN 60 HG2 GLN 60 50.054 -1.623 -4.120 495 2HG GLN 60 HG1 GLN 60 50.473 -2.754 -5.406 496 1HE2 GLN 60 HE22 GLN 60 48.158 0.522 -6.291 497 2HE2 GLN 60 HE21 GLN 60 48.313 0.018 -4.677 498 H LYS 61 HN LYS 61 51.129 -2.589 -2.695 499 HA LYS 61 HA LYS 61 52.693 -4.918 -3.582 500 1HB LYS 61 HB2 LYS 61 53.691 -2.411 -2.217 501 2HB LYS 61 HB1 LYS 61 54.521 -3.404 -3.413 502 1HG LYS 61 HG2 LYS 61 52.837 -2.708 -5.114 503 2HG LYS 61 HG1 LYS 61 52.104 -1.642 -3.916 504 1HD LYS 61 HD2 LYS 61 53.853 -0.144 -3.964 505 2HD LYS 61 HD1 LYS 61 55.045 -1.388 -4.350 506 1HE LYS 61 HE2 LYS 61 54.843 -0.984 -6.570 507 2HE LYS 61 HE1 LYS 61 53.074 -1.118 -6.484 508 1HZ LYS 61 HZ1 LYS 61 53.342 1.145 -5.218 509 2HZ LYS 61 HZ3 LYS 61 54.776 1.246 -6.119 510 3HZ LYS 61 HZ2 LYS 61 53.282 1.107 -6.915 511 H ARG 62 HN ARG 62 51.848 -3.206 -0.615 512 HA ARG 62 HA ARG 62 53.523 -4.390 1.285 513 1HB ARG 62 HB2 ARG 62 50.580 -3.659 1.362 514 2HB ARG 62 HB1 ARG 62 51.555 -3.965 2.800 515 1HG ARG 62 HG2 ARG 62 52.327 -1.912 0.720 516 2HG ARG 62 HG1 ARG 62 51.326 -1.516 2.118 517 1HD ARG 62 HD2 ARG 62 54.053 -2.832 2.345 518 2HD ARG 62 HD1 ARG 62 53.785 -1.083 2.493 519 HE ARG 62 HE ARG 62 53.038 -3.083 4.476 520 1HH1 ARG 62 HH21 ARG 62 53.361 0.171 3.869 521 2HH1 ARG 62 HH22 ARG 62 52.066 0.686 4.897 522 1HH2 ARG 62 HH11 ARG 62 50.879 -2.522 5.458 523 2HH2 ARG 62 HH12 ARG 62 50.658 -0.837 5.793 524 H ALA 63 HN ALA 63 50.503 -5.676 -0.127 525 HA ALA 63 HA ALA 63 50.273 -8.060 1.403 526 1HB ALA 63 HB1 ALA 63 48.820 -6.883 -0.480 527 2HB ALA 63 HB3 ALA 63 49.705 -7.972 -1.547 528 3HB ALA 63 HB2 ALA 63 48.711 -8.628 -0.246 529 H ALA 64 HN ALA 64 52.282 -7.230 -1.374 530 HA ALA 64 HA ALA 64 53.374 -9.963 -1.647 531 1HB ALA 64 HB2 ALA 64 53.182 -7.482 -3.138 532 2HB ALA 64 HB1 ALA 64 54.859 -8.028 -3.094 533 3HB ALA 64 HB3 ALA 64 53.603 -9.087 -3.736 534 H TYR 65 HN TYR 65 54.216 -6.818 -0.393 535 HA TYR 65 HA TYR 65 57.004 -7.326 0.169 536 1HB TYR 65 HB2 TYR 65 56.592 -5.089 0.148 537 2HB TYR 65 HB1 TYR 65 54.897 -5.317 0.504 538 HD1 TYR 65 HD1 TYR 65 54.114 -5.440 2.844 539 HD2 TYR 65 HD2 TYR 65 58.228 -4.695 1.884 540 HE1 TYR 65 HE1 TYR 65 54.518 -4.685 5.171 541 HE2 TYR 65 HE2 TYR 65 58.638 -3.940 4.211 542 HH TYR 65 HH TYR 65 57.240 -4.571 6.613 543 H ASP 66 HN ASP 66 54.060 -7.209 2.144 544 HA ASP 66 HA ASP 66 55.067 -7.555 4.625 545 1HB ASP 66 HB2 ASP 66 52.923 -8.506 5.203 546 2HB ASP 66 HB1 ASP 66 52.656 -7.398 3.859 547 H GLN 67 HN GLN 67 54.956 -10.033 2.107 548 HA GLN 67 HA GLN 67 57.034 -11.620 3.188 549 1HB GLN 67 HB2 GLN 67 54.512 -11.796 4.578 550 2HB GLN 67 HB1 GLN 67 54.903 -13.363 3.867 551 1HG GLN 67 HG2 GLN 67 57.210 -12.036 5.112 552 2HG GLN 67 HG1 GLN 67 55.917 -12.416 6.251 553 1HE2 GLN 67 HE22 GLN 67 57.046 -15.743 6.401 554 2HE2 GLN 67 HE21 GLN 67 56.524 -14.360 7.236 555 H TYR 68 HN TYR 68 56.330 -10.963 0.595 556 HA TYR 68 HA TYR 68 55.761 -13.652 -0.556 557 1HB TYR 68 HB2 TYR 68 54.035 -11.304 -0.535 558 2HB TYR 68 HB1 TYR 68 54.395 -11.823 -2.185 559 HD1 TYR 68 HD2 TYR 68 54.077 -14.304 -2.768 560 HD2 TYR 68 HD1 TYR 68 52.489 -12.501 0.794 561 HE1 TYR 68 HE2 TYR 68 52.481 -16.187 -2.525 562 HE2 TYR 68 HE1 TYR 68 50.894 -14.383 1.037 563 HH TYR 68 HH TYR 68 50.400 -16.706 -1.472 564 H GLY 69 HN GLY 69 58.274 -12.959 -0.641 565 1HA GLY 69 HA2 GLY 69 59.015 -11.071 -2.710 566 2HA GLY 69 HA1 GLY 69 60.092 -12.251 -1.961 567 H HIS 70 HN HIS 70 59.452 -14.624 -2.615 568 HA HIS 70 HA HIS 70 58.737 -14.695 -5.527 569 1HB HIS 70 HB2 HIS 70 61.258 -15.079 -4.303 570 2HB HIS 70 HB1 HIS 70 60.692 -16.680 -4.781 571 HD1 HIS 70 HD1 HIS 70 60.794 -17.252 -7.228 572 HD2 HIS 70 HD2 HIS 70 61.306 -13.169 -6.556 573 HE1 HIS 70 HE1 HIS 70 61.411 -16.231 -9.462 574 H ALA 71 HN ALA 71 56.651 -15.585 -4.959 575 HA ALA 71 HA ALA 71 55.153 -17.308 -4.290 576 1HB ALA 71 HB2 ALA 71 56.371 -18.240 -6.233 577 2HB ALA 71 HB1 ALA 71 57.630 -18.840 -5.154 578 3HB ALA 71 HB3 ALA 71 56.001 -19.509 -5.066 579 H ALA 72 HN ALA 72 57.098 -16.220 -2.229 580 HA ALA 72 HA ALA 72 58.335 -17.991 -0.538 581 1HB ALA 72 HB3 ALA 72 57.362 -15.417 -0.421 582 2HB ALA 72 HB2 ALA 72 56.423 -16.217 0.840 583 3HB ALA 72 HB1 ALA 72 58.186 -16.234 0.906 584 H PHE 73 HN PHE 73 54.818 -17.286 -0.326 585 HA PHE 73 HA PHE 73 54.465 -20.015 0.875 586 1HB PHE 73 HB2 PHE 73 53.735 -17.319 1.695 587 2HB PHE 73 HB1 PHE 73 52.314 -18.356 1.590 588 HD1 PHE 73 HD1 PHE 73 52.499 -20.712 2.682 589 HD2 PHE 73 HD2 PHE 73 55.137 -17.444 3.573 590 HE1 PHE 73 HE1 PHE 73 53.142 -21.813 4.809 591 HE2 PHE 73 HE2 PHE 73 55.780 -18.543 5.701 592 HZ PHE 73 HZ PHE 73 54.783 -20.730 6.318 593 H GLU 74 HN GLU 74 54.371 -19.977 -1.845 594 HA GLU 74 HA GLU 74 51.872 -19.247 -3.047 595 1HB GLU 74 HB2 GLU 74 54.201 -19.896 -4.024 596 2HB GLU 74 HB1 GLU 74 53.618 -21.556 -3.902 597 1HG GLU 74 HG2 GLU 74 53.027 -20.865 -6.096 598 2HG GLU 74 HG1 GLU 74 51.533 -20.741 -5.167 599 H GLN 75 HN GLN 75 53.048 -22.541 -2.226 600 HA GLN 75 HA GLN 75 50.492 -23.301 -1.038 601 1HB GLN 75 HB2 GLN 75 49.978 -24.944 -2.876 602 2HB GLN 75 HB1 GLN 75 49.864 -23.261 -3.390 603 1HG GLN 75 HG2 GLN 75 52.531 -23.868 -3.830 604 2HG GLN 75 HG1 GLN 75 51.703 -25.358 -4.283 605 1HE2 GLN 75 HE22 GLN 75 51.636 -23.335 -7.350 606 2HE2 GLN 75 HE21 GLN 75 52.765 -24.222 -6.444 607 H GLY 76 HN GLY 76 51.576 -24.329 0.652 608 1HA GLY 76 HA2 GLY 76 52.704 -26.091 1.721 609 2HA GLY 76 HA1 GLY 76 52.731 -26.927 0.168 610 H GLY 77 HN GLY 77 54.401 -26.090 -1.425 611 1HA GLY 77 HA2 GLY 77 56.600 -24.475 -0.549 612 2HA GLY 77 HA1 GLY 77 56.997 -26.179 -0.321 No H/Q in entry = 612
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