NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2731 | 1cir | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 552 H/Q atoms Start of MODEL 1 1 1H MET 1 2H MET 1 -14.333 5.870 -2.900 2 2H MET 1 1H MET 1 -15.890 5.198 -2.787 3 3H MET 1 3H MET 1 -14.751 4.905 -1.566 4 HA MET 1 HA MET 1 -14.551 2.959 -2.694 5 1HB MET 1 2HB MET 1 -15.945 4.459 -4.682 6 2HB MET 1 1HB MET 1 -14.545 3.717 -5.457 7 1HG MET 1 2HG MET 1 -15.211 1.529 -4.406 8 2HG MET 1 1HG MET 1 -16.690 2.308 -3.845 9 1HE MET 1 1HE MET 1 -15.840 -0.073 -5.450 10 2HE MET 1 3HE MET 1 -17.448 -0.243 -6.167 11 3HE MET 1 2HE MET 1 -16.033 -0.059 -7.201 12 H LYS 2 H LYS 2 -12.420 4.143 -1.740 13 HA LYS 2 HA LYS 2 -10.490 5.021 -3.712 14 1HB LYS 2 2HB LYS 2 -10.327 5.648 -1.313 15 2HB LYS 2 1HB LYS 2 -10.017 3.959 -0.912 16 1HG LYS 2 2HG LYS 2 -7.881 5.074 -1.045 17 2HG LYS 2 1HG LYS 2 -8.030 4.036 -2.464 18 1HD LYS 2 2HD LYS 2 -7.261 6.082 -3.353 19 2HD LYS 2 1HD LYS 2 -9.000 6.134 -3.638 20 1HE LYS 2 2HE LYS 2 -8.300 7.164 -1.000 21 2HE LYS 2 1HE LYS 2 -7.505 8.064 -2.293 22 1HZ LYS 2 3HZ LYS 2 -9.980 7.765 -3.272 23 2HZ LYS 2 2HZ LYS 2 -10.310 7.895 -1.611 24 3HZ LYS 2 1HZ LYS 2 -9.455 9.128 -2.409 25 H THR 3 H THR 3 -9.754 3.630 -5.239 26 HA THR 3 HA THR 3 -8.846 0.932 -4.335 27 HB THR 3 HB THR 3 -9.991 -0.189 -6.016 28 HG1 THR 3 HG1 THR 3 -9.301 0.908 -7.780 29 1HG2 THR 3 2HG2 THR 3 -11.559 1.132 -4.426 30 2HG2 THR 3 1HG2 THR 3 -11.863 2.166 -5.822 31 3HG2 THR 3 3HG2 THR 3 -12.261 0.450 -5.893 32 H GLU 4 H GLU 4 -7.889 3.802 -5.523 33 HA GLU 4 HA GLU 4 -5.770 2.505 -7.165 34 1HB GLU 4 2HB GLU 4 -6.195 5.245 -8.013 35 2HB GLU 4 1HB GLU 4 -6.228 3.768 -8.980 36 1HG GLU 4 2HG GLU 4 -8.581 3.368 -8.165 37 2HG GLU 4 1HG GLU 4 -8.529 4.960 -7.408 38 H TRP 5 H TRP 5 -6.651 5.096 -4.950 39 HA TRP 5 HA TRP 5 -5.219 6.523 -3.708 40 1HB TRP 5 2HB TRP 5 -3.282 4.250 -4.231 41 2HB TRP 5 1HB TRP 5 -3.154 5.453 -2.937 42 HD1 TRP 5 HD1 TRP 5 -5.477 5.454 -1.247 43 HE1 TRP 5 HE1 TRP 5 -6.640 3.385 -0.258 44 HE3 TRP 5 HE3 TRP 5 -3.824 1.860 -4.494 45 HZ2 TRP 5 HZ2 TRP 5 -6.837 0.592 -0.767 46 HZ3 TRP 5 HZ3 TRP 5 -4.511 -0.500 -4.192 47 HH2 TRP 5 HH2 TRP 5 -6.023 -1.138 -2.338 48 HA PRO 6 HA PRO 6 -2.825 7.254 -7.718 49 1HB PRO 6 2HB PRO 6 -4.474 9.099 -8.935 50 2HB PRO 6 1HB PRO 6 -4.556 7.359 -9.259 51 1HG PRO 6 2HG PRO 6 -6.398 9.054 -7.633 52 2HG PRO 6 1HG PRO 6 -6.732 7.547 -8.503 53 1HD PRO 6 2HD PRO 6 -6.336 7.783 -5.716 54 2HD PRO 6 1HD PRO 6 -6.306 6.278 -6.646 55 H GLU 7 H GLU 7 -4.770 9.252 -5.711 56 HA GLU 7 HA GLU 7 -3.168 11.671 -5.912 57 1HB GLU 7 2HB GLU 7 -5.590 11.107 -4.790 58 2HB GLU 7 1HB GLU 7 -4.556 11.114 -3.358 59 1HG GLU 7 2HG GLU 7 -4.215 13.358 -3.466 60 2HG GLU 7 1HG GLU 7 -4.042 13.339 -5.221 61 H LEU 8 H LEU 8 -2.653 8.609 -4.527 62 HA LEU 8 HA LEU 8 -1.035 9.514 -2.281 63 1HB LEU 8 2HB LEU 8 -2.217 7.360 -2.202 64 2HB LEU 8 1HB LEU 8 -1.296 6.796 -3.595 65 HG LEU 8 HG LEU 8 0.795 7.038 -2.309 66 1HD1 LEU 8 1HD1 LEU 8 -0.036 8.880 -0.833 67 2HD1 LEU 8 3HD1 LEU 8 -1.039 7.704 0.014 68 3HD1 LEU 8 2HD1 LEU 8 0.719 7.569 0.073 69 1HD2 LEU 8 1HD2 LEU 8 -1.408 5.233 -1.664 70 2HD2 LEU 8 3HD2 LEU 8 0.304 4.871 -1.896 71 3HD2 LEU 8 2HD2 LEU 8 -0.277 5.418 -0.326 72 H VAL 9 H VAL 9 -0.549 9.472 -5.582 73 HA VAL 9 HA VAL 9 2.043 8.434 -5.915 74 HB VAL 9 HB VAL 9 0.711 10.822 -7.219 75 1HG1 VAL 9 2HG1 VAL 9 3.236 11.014 -7.228 76 2HG1 VAL 9 1HG1 VAL 9 3.287 9.465 -8.077 77 3HG1 VAL 9 3HG1 VAL 9 2.520 10.859 -8.837 78 1HG2 VAL 9 3HG2 VAL 9 -0.138 8.448 -7.597 79 2HG2 VAL 9 2HG2 VAL 9 0.338 9.323 -9.052 80 3HG2 VAL 9 1HG2 VAL 9 1.415 8.109 -8.361 81 H GLY 10 H GLY 10 4.106 9.328 -5.786 82 1HA GLY 10 2HA GLY 10 5.803 10.604 -4.822 83 2HA GLY 10 1HA GLY 10 4.719 11.974 -5.056 84 H LYS 11 H LYS 11 3.295 9.552 -3.111 85 HA LYS 11 HA LYS 11 3.685 11.287 -0.746 86 1HB LYS 11 2HB LYS 11 1.437 10.137 -1.596 87 2HB LYS 11 1HB LYS 11 2.045 8.787 -0.637 88 1HG LYS 11 2HG LYS 11 1.455 9.815 1.276 89 2HG LYS 11 1HG LYS 11 2.378 11.251 0.831 90 1HD LYS 11 2HD LYS 11 -0.093 10.989 -0.713 91 2HD LYS 11 1HD LYS 11 -0.389 11.102 1.021 92 1HE LYS 11 2HE LYS 11 1.600 13.010 0.532 93 2HE LYS 11 1HE LYS 11 0.491 13.169 -0.829 94 1HZ LYS 11 2HZ LYS 11 -1.182 12.903 1.269 95 2HZ LYS 11 1HZ LYS 11 0.088 13.803 1.949 96 3HZ LYS 11 3HZ LYS 11 -0.721 14.384 0.576 97 H SER 12 H SER 12 3.178 8.820 0.992 98 HA SER 12 HA SER 12 5.783 7.436 0.689 99 1HB SER 12 2HB SER 12 5.161 9.465 2.692 100 2HB SER 12 1HB SER 12 5.668 7.940 3.419 101 HG SER 12 HG SER 12 7.407 9.404 2.851 102 H VAL 13 H VAL 13 5.904 5.478 1.991 103 HA VAL 13 HA VAL 13 3.630 3.858 1.961 104 HB VAL 13 HB VAL 13 5.969 3.735 3.889 105 1HG1 VAL 13 2HG1 VAL 13 3.555 2.343 4.012 106 2HG1 VAL 13 1HG1 VAL 13 4.645 1.228 3.190 107 3HG1 VAL 13 3HG1 VAL 13 5.068 1.863 4.780 108 1HG2 VAL 13 3HG2 VAL 13 6.160 3.570 1.230 109 2HG2 VAL 13 2HG2 VAL 13 7.094 2.505 2.280 110 3HG2 VAL 13 1HG2 VAL 13 5.606 1.922 1.533 111 H GLU 14 H GLU 14 4.689 6.101 4.482 112 HA GLU 14 HA GLU 14 3.138 5.367 6.655 113 1HB GLU 14 2HB GLU 14 3.911 8.029 5.517 114 2HB GLU 14 1HB GLU 14 2.743 7.988 6.837 115 1HG GLU 14 2HG GLU 14 5.226 6.344 7.110 116 2HG GLU 14 1HG GLU 14 5.357 8.090 7.325 117 H GLU 15 H GLU 15 1.916 7.918 4.503 118 HA GLU 15 HA GLU 15 -0.830 7.558 5.168 119 1HB GLU 15 2HB GLU 15 0.388 9.492 3.898 120 2HB GLU 15 1HB GLU 15 0.055 8.529 2.458 121 1HG GLU 15 2HG GLU 15 -2.153 9.036 2.497 122 2HG GLU 15 1HG GLU 15 -2.266 8.777 4.238 123 H ALA 16 H ALA 16 1.184 5.975 2.727 124 HA ALA 16 HA ALA 16 -0.951 4.813 1.223 125 1HB ALA 16 1HB ALA 16 1.863 4.702 1.187 126 2HB ALA 16 3HB ALA 16 1.338 3.036 1.418 127 3HB ALA 16 2HB ALA 16 0.767 3.953 0.028 128 H LYS 17 H LYS 17 1.169 2.754 3.221 129 HA LYS 17 HA LYS 17 -0.615 0.681 3.628 130 1HB LYS 17 2HB LYS 17 1.697 1.756 5.103 131 2HB LYS 17 1HB LYS 17 0.571 0.845 6.111 132 1HG LYS 17 2HG LYS 17 1.343 -0.303 3.459 133 2HG LYS 17 1HG LYS 17 2.507 -0.393 4.781 134 1HD LYS 17 2HD LYS 17 -0.092 -1.103 5.776 135 2HD LYS 17 1HD LYS 17 0.257 -2.067 4.341 136 1HE LYS 17 2HE LYS 17 2.422 -1.722 6.376 137 2HE LYS 17 1HE LYS 17 1.107 -2.839 6.738 138 1HZ LYS 17 2HZ LYS 17 1.531 -3.961 4.639 139 2HZ LYS 17 1HZ LYS 17 2.806 -2.889 4.302 140 3HZ LYS 17 3HZ LYS 17 2.923 -3.960 5.613 141 H LYS 18 H LYS 18 -0.418 3.724 5.396 142 HA LYS 18 HA LYS 18 -2.232 3.323 7.481 143 1HB LYS 18 2HB LYS 18 -1.286 5.629 5.887 144 2HB LYS 18 1HB LYS 18 -2.808 5.875 6.738 145 1HG LYS 18 2HG LYS 18 -0.765 6.510 8.078 146 2HG LYS 18 1HG LYS 18 -1.807 5.324 8.863 147 1HD LYS 18 2HD LYS 18 0.086 3.935 7.211 148 2HD LYS 18 1HD LYS 18 0.957 5.073 8.235 149 1HE LYS 18 2HE LYS 18 0.169 4.098 10.216 150 2HE LYS 18 1HE LYS 18 -1.200 3.334 9.408 151 1HZ LYS 18 1HZ LYS 18 0.384 1.901 8.230 152 2HZ LYS 18 3HZ LYS 18 1.660 2.595 9.104 153 3HZ LYS 18 2HZ LYS 18 0.467 1.697 9.914 154 H VAL 19 H VAL 19 -3.279 5.319 4.787 155 HA VAL 19 HA VAL 19 -6.054 4.684 5.159 156 HB VAL 19 HB VAL 19 -5.001 5.740 2.548 157 1HG1 VAL 19 1HG1 VAL 19 -7.475 5.770 4.118 158 2HG1 VAL 19 3HG1 VAL 19 -7.010 7.371 3.544 159 3HG1 VAL 19 2HG1 VAL 19 -7.237 6.054 2.394 160 1HG2 VAL 19 1HG2 VAL 19 -4.879 7.103 5.249 161 2HG2 VAL 19 3HG2 VAL 19 -3.591 6.961 4.048 162 3HG2 VAL 19 2HG2 VAL 19 -4.969 8.023 3.748 163 H ILE 20 H ILE 20 -3.771 3.661 2.594 164 HA ILE 20 HA ILE 20 -5.454 2.117 1.029 165 HB ILE 20 HB ILE 20 -2.624 1.544 1.922 166 1HG1 ILE 20 2HG1 ILE 20 -3.635 2.412 -0.789 167 2HG1 ILE 20 1HG1 ILE 20 -3.298 3.589 0.482 168 1HG2 ILE 20 2HG2 ILE 20 -4.512 -0.051 0.281 169 2HG2 ILE 20 1HG2 ILE 20 -2.906 0.183 -0.413 170 3HG2 ILE 20 3HG2 ILE 20 -3.081 -0.568 1.173 171 1HD1 ILE 20 3HD1 ILE 20 -1.087 1.813 0.411 172 2HD1 ILE 20 2HD1 ILE 20 -1.441 2.250 -1.260 173 3HD1 ILE 20 1HD1 ILE 20 -1.119 3.509 -0.070 174 H LEU 21 H LEU 21 -4.030 1.238 4.154 175 HA LEU 21 HA LEU 21 -4.543 -1.418 4.477 176 1HB LEU 21 2HB LEU 21 -3.664 -0.045 6.277 177 2HB LEU 21 1HB LEU 21 -5.229 0.756 6.464 178 HG LEU 21 HG LEU 21 -6.277 -1.329 7.135 179 1HD1 LEU 21 2HD1 LEU 21 -3.612 -2.477 6.326 180 2HD1 LEU 21 1HD1 LEU 21 -4.644 -3.325 7.478 181 3HD1 LEU 21 3HD1 LEU 21 -5.228 -2.995 5.847 182 1HD2 LEU 21 1HD2 LEU 21 -4.431 0.051 8.635 183 2HD2 LEU 21 3HD2 LEU 21 -5.479 -1.222 9.264 184 3HD2 LEU 21 2HD2 LEU 21 -3.832 -1.604 8.760 185 H GLN 22 H GLN 22 -7.145 0.930 4.057 186 HA GLN 22 HA GLN 22 -8.991 -1.382 4.336 187 1HB GLN 22 2HB GLN 22 -8.866 0.854 6.088 188 2HB GLN 22 1HB GLN 22 -10.379 0.956 5.180 189 1HG GLN 22 2HG GLN 22 -11.259 -0.841 6.245 190 2HG GLN 22 1HG GLN 22 -9.792 -1.799 6.004 191 1HE2 GLN 22 2HE2 GLN 22 -8.562 -1.199 9.260 192 2HE2 GLN 22 1HE2 GLN 22 -8.316 -1.953 7.760 193 H ASP 23 H ASP 23 -9.791 2.054 3.650 194 HA ASP 23 HA ASP 23 -11.197 2.826 1.899 195 1HB ASP 23 2HB ASP 23 -9.904 2.063 -0.359 196 2HB ASP 23 1HB ASP 23 -9.321 3.345 0.704 197 H LYS 24 H LYS 24 -10.175 0.156 -0.116 198 HA LYS 24 HA LYS 24 -12.837 -0.714 -0.719 199 1HB LYS 24 2HB LYS 24 -10.243 -1.298 -1.586 200 2HB LYS 24 1HB LYS 24 -10.772 -2.804 -0.849 201 1HG LYS 24 2HG LYS 24 -12.092 -3.244 -2.637 202 2HG LYS 24 1HG LYS 24 -12.917 -1.698 -2.436 203 1HD LYS 24 2HD LYS 24 -11.201 -0.561 -3.726 204 2HD LYS 24 1HD LYS 24 -10.241 -2.037 -3.815 205 1HE LYS 24 2HE LYS 24 -12.925 -1.501 -5.102 206 2HE LYS 24 1HE LYS 24 -11.399 -1.882 -5.901 207 1HZ LYS 24 1HZ LYS 24 -11.469 -4.049 -4.688 208 2HZ LYS 24 3HZ LYS 24 -13.055 -3.674 -4.218 209 3HZ LYS 24 2HZ LYS 24 -12.678 -3.852 -5.866 210 HA PRO 25 HA PRO 25 -13.528 -3.412 2.737 211 1HB PRO 25 2HB PRO 25 -13.552 -6.049 1.974 212 2HB PRO 25 1HB PRO 25 -14.863 -4.916 1.592 213 1HG PRO 25 2HG PRO 25 -12.722 -5.987 -0.175 214 2HG PRO 25 1HG PRO 25 -14.364 -5.468 -0.597 215 1HD PRO 25 2HD PRO 25 -12.023 -3.978 -1.013 216 2HD PRO 25 1HD PRO 25 -13.667 -3.309 -1.042 217 H GLU 26 H GLU 26 -11.392 -2.759 3.549 218 HA GLU 26 HA GLU 26 -9.326 -3.193 4.544 219 1HB GLU 26 2HB GLU 26 -9.389 -6.075 4.552 220 2HB GLU 26 1HB GLU 26 -9.495 -4.949 5.899 221 1HG GLU 26 2HG GLU 26 -11.974 -4.638 5.150 222 2HG GLU 26 1HG GLU 26 -11.733 -6.139 4.252 223 H ALA 27 H ALA 27 -8.957 -2.754 1.886 224 HA ALA 27 HA ALA 27 -7.397 -5.035 0.840 225 1HB ALA 27 2HB ALA 27 -8.572 -2.585 -0.289 226 2HB ALA 27 1HB ALA 27 -6.935 -2.896 -0.866 227 3HB ALA 27 3HB ALA 27 -8.193 -4.116 -1.084 228 H GLN 28 H GLN 28 -5.389 -5.227 1.738 229 HA GLN 28 HA GLN 28 -4.085 -2.887 2.931 230 1HB GLN 28 2HB GLN 28 -4.099 -5.625 3.472 231 2HB GLN 28 1HB GLN 28 -2.480 -5.315 2.841 232 1HG GLN 28 2HG GLN 28 -2.727 -3.183 4.474 233 2HG GLN 28 1HG GLN 28 -3.770 -4.317 5.329 234 1HE2 GLN 28 2HE2 GLN 28 0.069 -4.666 6.013 235 2HE2 GLN 28 1HE2 GLN 28 -0.774 -3.244 5.626 236 H ILE 29 H ILE 29 -1.415 -3.413 2.561 237 HA ILE 29 HA ILE 29 -0.940 -3.527 -0.345 238 HB ILE 29 HB ILE 29 -1.534 -1.175 0.129 239 1HG1 ILE 29 2HG1 ILE 29 1.358 -0.911 -0.312 240 2HG1 ILE 29 1HG1 ILE 29 0.589 -2.143 -1.315 241 1HG2 ILE 29 1HG2 ILE 29 -0.005 -1.629 2.463 242 2HG2 ILE 29 3HG2 ILE 29 0.883 -0.434 1.518 243 3HG2 ILE 29 2HG2 ILE 29 -0.794 -0.129 1.973 244 1HD1 ILE 29 2HD1 ILE 29 -0.365 0.721 -1.044 245 2HD1 ILE 29 1HD1 ILE 29 0.540 0.084 -2.412 246 3HD1 ILE 29 3HD1 ILE 29 -1.082 -0.515 -2.076 247 H ILE 30 H ILE 30 1.155 -4.089 -0.859 248 HA ILE 30 HA ILE 30 2.819 -5.169 1.316 249 HB ILE 30 HB ILE 30 3.237 -5.238 -1.686 250 1HG1 ILE 30 2HG1 ILE 30 2.051 -7.454 -0.019 251 2HG1 ILE 30 1HG1 ILE 30 1.032 -6.209 -0.746 252 1HG2 ILE 30 3HG2 ILE 30 5.078 -5.830 0.148 253 2HG2 ILE 30 2HG2 ILE 30 4.194 -7.357 0.183 254 3HG2 ILE 30 1HG2 ILE 30 4.901 -6.780 -1.329 255 1HD1 ILE 30 3HD1 ILE 30 3.022 -7.871 -2.313 256 2HD1 ILE 30 2HD1 ILE 30 1.310 -8.271 -2.174 257 3HD1 ILE 30 1HD1 ILE 30 1.804 -6.774 -2.964 258 H VAL 31 H VAL 31 4.325 -3.793 2.220 259 HA VAL 31 HA VAL 31 5.344 -1.530 0.612 260 HB VAL 31 HB VAL 31 4.707 -1.110 2.952 261 1HG1 VAL 31 3HG1 VAL 31 5.380 -3.483 3.685 262 2HG1 VAL 31 2HG1 VAL 31 7.030 -2.871 3.760 263 3HG1 VAL 31 1HG1 VAL 31 5.784 -2.174 4.793 264 1HG2 VAL 31 1HG2 VAL 31 7.280 -0.559 1.761 265 2HG2 VAL 31 3HG2 VAL 31 6.308 0.471 2.811 266 3HG2 VAL 31 2HG2 VAL 31 7.446 -0.678 3.512 267 H LEU 32 H LEU 32 7.008 -2.053 -0.768 268 HA LEU 32 HA LEU 32 9.301 -3.503 0.449 269 1HB LEU 32 2HB LEU 32 9.553 -5.005 -1.384 270 2HB LEU 32 1HB LEU 32 7.865 -5.104 -0.902 271 HG LEU 32 HG LEU 32 8.444 -3.071 -2.953 272 1HD1 LEU 32 1HD1 LEU 32 9.827 -5.466 -3.175 273 2HD1 LEU 32 3HD1 LEU 32 8.369 -5.769 -4.115 274 3HD1 LEU 32 2HD1 LEU 32 9.415 -4.406 -4.519 275 1HD2 LEU 32 2HD2 LEU 32 6.308 -4.745 -2.013 276 2HD2 LEU 32 1HD2 LEU 32 6.221 -3.437 -3.187 277 3HD2 LEU 32 3HD2 LEU 32 6.562 -5.082 -3.723 278 HA PRO 33 HA PRO 33 11.671 -0.444 -1.589 279 1HB PRO 33 2HB PRO 33 14.096 -1.719 -1.481 280 2HB PRO 33 1HB PRO 33 13.319 -0.992 -0.064 281 1HG PRO 33 2HG PRO 33 13.599 -3.870 -0.776 282 2HG PRO 33 1HG PRO 33 13.403 -3.122 0.819 283 1HD PRO 33 2HD PRO 33 11.371 -4.408 -0.695 284 2HD PRO 33 1HD PRO 33 11.137 -3.426 0.767 285 H VAL 34 H VAL 34 10.257 -1.711 -3.545 286 HA VAL 34 HA VAL 34 10.304 -2.477 -5.752 287 HB VAL 34 HB VAL 34 12.982 -1.041 -5.649 288 1HG1 VAL 34 1HG1 VAL 34 11.860 -2.625 -7.692 289 2HG1 VAL 34 3HG1 VAL 34 11.568 -0.954 -8.175 290 3HG1 VAL 34 2HG1 VAL 34 13.211 -1.501 -7.842 291 1HG2 VAL 34 2HG2 VAL 34 10.861 0.231 -4.976 292 2HG2 VAL 34 1HG2 VAL 34 11.797 0.922 -6.302 293 3HG2 VAL 34 3HG2 VAL 34 10.326 0.011 -6.642 294 H GLY 35 H GLY 35 13.815 -2.663 -5.601 295 1HA GLY 35 2HA GLY 35 15.205 -4.520 -5.985 296 2HA GLY 35 1HA GLY 35 14.263 -5.250 -4.683 297 H THR 36 H THR 36 14.891 -7.164 -6.246 298 HA THR 36 HA THR 36 13.284 -7.408 -8.663 299 HB THR 36 HB THR 36 14.148 -9.959 -7.613 300 HG1 THR 36 HG1 THR 36 16.466 -9.166 -7.830 301 1HG2 THR 36 3HG2 THR 36 15.039 -8.204 -9.915 302 2HG2 THR 36 2HG2 THR 36 15.569 -9.869 -9.679 303 3HG2 THR 36 1HG2 THR 36 13.867 -9.520 -9.978 304 H ILE 37 H ILE 37 12.172 -9.944 -8.490 305 HA ILE 37 HA ILE 37 10.090 -9.540 -6.376 306 HB ILE 37 HB ILE 37 9.939 -10.777 -9.139 307 1HG1 ILE 37 2HG1 ILE 37 7.938 -9.068 -9.105 308 2HG1 ILE 37 1HG1 ILE 37 8.828 -8.345 -7.763 309 1HG2 ILE 37 3HG2 ILE 37 8.241 -11.166 -6.726 310 2HG2 ILE 37 2HG2 ILE 37 7.397 -10.897 -8.251 311 3HG2 ILE 37 1HG2 ILE 37 8.521 -12.247 -8.091 312 1HD1 ILE 37 2HD1 ILE 37 10.269 -9.017 -10.313 313 2HD1 ILE 37 1HD1 ILE 37 9.319 -7.534 -10.209 314 3HD1 ILE 37 3HD1 ILE 37 10.664 -7.799 -9.101 315 H VAL 38 H VAL 38 11.967 -10.756 -5.155 316 HA VAL 38 HA VAL 38 12.650 -12.731 -4.091 317 HB VAL 38 HB VAL 38 9.974 -13.610 -5.204 318 1HG1 VAL 38 1HG1 VAL 38 11.875 -14.995 -3.293 319 2HG1 VAL 38 3HG1 VAL 38 10.180 -15.443 -3.481 320 3HG1 VAL 38 2HG1 VAL 38 11.291 -15.605 -4.841 321 1HG2 VAL 38 2HG2 VAL 38 10.795 -11.957 -3.015 322 2HG2 VAL 38 1HG2 VAL 38 9.160 -12.446 -3.457 323 3HG2 VAL 38 3HG2 VAL 38 10.111 -13.442 -2.355 324 H THR 39 H THR 39 14.407 -12.881 -5.679 325 HA THR 39 HA THR 39 15.575 -13.877 -7.473 326 HB THR 39 HB THR 39 15.890 -15.602 -5.862 327 HG1 THR 39 HG1 THR 39 15.955 -16.133 -8.244 328 1HG2 THR 39 2HG2 THR 39 13.052 -16.470 -6.481 329 2HG2 THR 39 1HG2 THR 39 14.162 -17.320 -5.407 330 3HG2 THR 39 3HG2 THR 39 13.602 -15.701 -4.992 331 1H GLU 41 1H GLU 41 -10.648 -11.908 -10.331 332 2H GLU 41 3H GLU 41 -9.117 -12.420 -10.854 333 3H GLU 41 2H GLU 41 -10.246 -13.558 -10.292 334 HA GLU 41 HA GLU 41 -9.014 -13.390 -8.418 335 1HB GLU 41 2HB GLU 41 -7.899 -11.234 -9.812 336 2HB GLU 41 1HB GLU 41 -8.481 -10.532 -8.302 337 1HG GLU 41 2HG GLU 41 -6.946 -11.645 -7.049 338 2HG GLU 41 1HG GLU 41 -7.125 -13.130 -7.983 339 H TYR 42 H TYR 42 -9.179 -11.452 -6.428 340 HA TYR 42 HA TYR 42 -12.072 -10.745 -6.306 341 1HB TYR 42 2HB TYR 42 -12.285 -11.693 -4.104 342 2HB TYR 42 1HB TYR 42 -11.574 -12.935 -5.134 343 HD1 TYR 42 HD1 TYR 42 -8.907 -12.866 -5.260 344 HD2 TYR 42 HD2 TYR 42 -11.265 -11.258 -2.052 345 HE1 TYR 42 HE1 TYR 42 -6.947 -12.997 -3.755 346 HE2 TYR 42 HE2 TYR 42 -9.305 -11.392 -0.547 347 HH TYR 42 HH TYR 42 -6.205 -11.743 -1.592 348 H ARG 43 H ARG 43 -11.661 -10.004 -3.440 349 HA ARG 43 HA ARG 43 -10.491 -7.336 -3.947 350 1HB ARG 43 2HB ARG 43 -11.544 -6.663 -1.925 351 2HB ARG 43 1HB ARG 43 -12.691 -7.763 -2.687 352 1HG ARG 43 2HG ARG 43 -11.295 -9.560 -1.256 353 2HG ARG 43 1HG ARG 43 -11.041 -8.146 -0.229 354 1HD ARG 43 2HD ARG 43 -13.043 -9.058 0.612 355 2HD ARG 43 1HD ARG 43 -13.611 -7.794 -0.479 356 HE ARG 43 HE ARG 43 -13.364 -10.534 -1.584 357 1HH1 ARG 43 2HH1 ARG 43 -15.529 -9.147 0.481 358 2HH1 ARG 43 1HH1 ARG 43 -16.890 -9.190 -0.590 359 1HH2 ARG 43 1HH2 ARG 43 -15.012 -10.069 -3.368 360 2HH2 ARG 43 2HH2 ARG 43 -16.597 -9.708 -2.769 361 H ILE 44 H ILE 44 -8.462 -9.146 -4.095 362 HA ILE 44 HA ILE 44 -7.146 -10.060 -1.845 363 HB ILE 44 HB ILE 44 -6.142 -10.278 -4.065 364 1HG1 ILE 44 2HG1 ILE 44 -3.985 -8.704 -2.918 365 2HG1 ILE 44 1HG1 ILE 44 -4.821 -9.628 -1.667 366 1HG2 ILE 44 2HG2 ILE 44 -6.851 -7.883 -4.714 367 2HG2 ILE 44 1HG2 ILE 44 -5.384 -7.356 -3.889 368 3HG2 ILE 44 3HG2 ILE 44 -5.274 -8.428 -5.285 369 1HD1 ILE 44 3HD1 ILE 44 -4.483 -11.276 -4.006 370 2HD1 ILE 44 2HD1 ILE 44 -2.925 -10.591 -3.545 371 3HD1 ILE 44 1HD1 ILE 44 -3.855 -11.531 -2.378 372 H ASP 45 H ASP 45 -5.867 -9.139 -0.217 373 HA ASP 45 HA ASP 45 -6.272 -6.213 0.079 374 1HB ASP 45 2HB ASP 45 -6.457 -6.534 2.385 375 2HB ASP 45 1HB ASP 45 -7.150 -8.026 1.756 376 H ARG 46 H ARG 46 -4.221 -6.916 -1.597 377 HA ARG 46 HA ARG 46 -1.894 -5.882 -0.099 378 1HB ARG 46 2HB ARG 46 -2.140 -8.656 -0.973 379 2HB ARG 46 1HB ARG 46 -0.741 -7.860 -1.696 380 1HG ARG 46 2HG ARG 46 0.031 -7.140 0.505 381 2HG ARG 46 1HG ARG 46 -1.398 -7.843 1.262 382 1HD ARG 46 2HD ARG 46 -0.720 -10.080 0.406 383 2HD ARG 46 1HD ARG 46 0.750 -9.358 -0.250 384 HE ARG 46 HE ARG 46 0.354 -8.884 2.617 385 1HH1 ARG 46 1HH2 ARG 46 2.847 -9.334 0.696 386 2HH1 ARG 46 2HH2 ARG 46 3.524 -10.732 1.463 387 1HH2 ARG 46 2HH1 ARG 46 0.709 -11.368 3.385 388 2HH2 ARG 46 1HH1 ARG 46 2.314 -11.883 2.986 389 H VAL 47 H VAL 47 -0.379 -4.852 -1.491 390 HA VAL 47 HA VAL 47 -0.896 -4.838 -4.401 391 HB VAL 47 HB VAL 47 -1.171 -2.376 -2.665 392 1HG1 VAL 47 1HG1 VAL 47 -0.829 -2.777 -5.632 393 2HG1 VAL 47 3HG1 VAL 47 -1.693 -1.380 -5.000 394 3HG1 VAL 47 2HG1 VAL 47 -0.003 -1.636 -4.573 395 1HG2 VAL 47 2HG2 VAL 47 -3.071 -3.806 -4.551 396 2HG2 VAL 47 1HG2 VAL 47 -3.184 -3.784 -2.791 397 3HG2 VAL 47 3HG2 VAL 47 -3.420 -2.296 -3.708 398 H ARG 48 H ARG 48 1.078 -4.784 -5.413 399 HA ARG 48 HA ARG 48 3.532 -4.658 -4.041 400 1HB ARG 48 2HB ARG 48 2.844 -4.049 -6.915 401 2HB ARG 48 1HB ARG 48 4.506 -4.000 -6.319 402 1HG ARG 48 2HG ARG 48 2.623 -6.381 -6.183 403 2HG ARG 48 1HG ARG 48 4.017 -6.220 -7.251 404 1HD ARG 48 2HD ARG 48 5.397 -5.883 -5.091 405 2HD ARG 48 1HD ARG 48 3.987 -6.523 -4.244 406 HE ARG 48 HE ARG 48 4.572 -8.321 -6.346 407 1HH1 ARG 48 2HH1 ARG 48 7.392 -7.909 -5.794 408 2HH1 ARG 48 1HH1 ARG 48 7.710 -8.958 -4.453 409 1HH2 ARG 48 1HH2 ARG 48 4.365 -9.328 -3.611 410 2HH2 ARG 48 2HH2 ARG 48 5.995 -9.759 -3.214 411 H LEU 49 H LEU 49 3.451 -2.851 -2.581 412 HA LEU 49 HA LEU 49 3.409 -0.165 -3.811 413 1HB LEU 49 2HB LEU 49 2.203 -0.187 -1.773 414 2HB LEU 49 1HB LEU 49 3.452 -1.099 -0.937 415 HG LEU 49 HG LEU 49 4.934 0.770 -0.912 416 1HD1 LEU 49 2HD1 LEU 49 2.974 2.066 -2.834 417 2HD1 LEU 49 1HD1 LEU 49 4.335 2.906 -2.092 418 3HD1 LEU 49 3HD1 LEU 49 4.626 1.562 -3.199 419 1HD2 LEU 49 3HD2 LEU 49 2.237 0.997 0.088 420 2HD2 LEU 49 2HD2 LEU 49 3.730 1.617 0.795 421 3HD2 LEU 49 1HD2 LEU 49 2.830 2.596 -0.363 422 H PHE 50 H PHE 50 5.319 -0.334 -4.982 423 HA PHE 50 HA PHE 50 7.875 -1.008 -3.795 424 1HB PHE 50 2HB PHE 50 6.876 0.208 -6.348 425 2HB PHE 50 1HB PHE 50 8.601 0.315 -5.976 426 HD1 PHE 50 HD1 PHE 50 7.186 -2.590 -4.475 427 HD2 PHE 50 HD2 PHE 50 8.585 -1.040 -8.227 428 HE1 PHE 50 HE1 PHE 50 7.395 -4.893 -5.357 429 HE2 PHE 50 HE2 PHE 50 8.815 -3.347 -9.095 430 HZ PHE 50 HZ PHE 50 8.217 -5.276 -7.659 431 H VAL 51 H VAL 51 9.507 0.532 -3.117 432 HA VAL 51 HA VAL 51 8.453 3.309 -2.767 433 HB VAL 51 HB VAL 51 9.752 3.434 -0.666 434 1HG1 VAL 51 1HG1 VAL 51 7.348 2.094 -1.115 435 2HG1 VAL 51 3HG1 VAL 51 8.262 0.988 -0.090 436 3HG1 VAL 51 2HG1 VAL 51 7.955 2.640 0.449 437 1HG2 VAL 51 2HG2 VAL 51 11.198 1.371 -1.674 438 2HG2 VAL 51 1HG2 VAL 51 11.149 1.763 0.045 439 3HG2 VAL 51 3HG2 VAL 51 10.115 0.486 -0.599 440 H ASP 52 H ASP 52 10.246 4.930 -2.479 441 HA ASP 52 HA ASP 52 12.329 4.373 -4.501 442 1HB ASP 52 2HB ASP 52 12.466 6.675 -4.832 443 2HB ASP 52 1HB ASP 52 10.788 6.512 -4.326 444 H LYS 53 H LYS 53 14.094 6.437 -3.366 445 HA LYS 53 HA LYS 53 15.658 4.733 -1.617 446 1HB LYS 53 2HB LYS 53 16.027 7.676 -2.174 447 2HB LYS 53 1HB LYS 53 17.274 6.491 -1.773 448 1HG LYS 53 2HG LYS 53 15.612 5.973 -4.211 449 2HG LYS 53 1HG LYS 53 16.808 7.266 -4.302 450 1HD LYS 53 2HD LYS 53 18.460 5.756 -4.535 451 2HD LYS 53 1HD LYS 53 18.016 5.020 -2.995 452 1HE LYS 53 2HE LYS 53 17.582 3.206 -4.323 453 2HE LYS 53 1HE LYS 53 16.039 4.030 -4.548 454 1HZ LYS 53 2HZ LYS 53 16.948 5.099 -6.521 455 2HZ LYS 53 1HZ LYS 53 18.417 4.273 -6.311 456 3HZ LYS 53 3HZ LYS 53 17.001 3.408 -6.665 457 H LEU 54 H LEU 54 13.861 7.791 -1.272 458 HA LEU 54 HA LEU 54 14.080 7.584 1.692 459 1HB LEU 54 2HB LEU 54 13.800 9.765 -0.259 460 2HB LEU 54 1HB LEU 54 12.745 9.927 1.144 461 HG LEU 54 HG LEU 54 15.052 10.972 1.402 462 1HD1 LEU 54 3HD1 LEU 54 13.502 10.140 3.282 463 2HD1 LEU 54 2HD1 LEU 54 14.570 8.740 3.379 464 3HD1 LEU 54 1HD1 LEU 54 15.205 10.356 3.689 465 1HD2 LEU 54 1HD2 LEU 54 16.004 8.748 0.256 466 2HD2 LEU 54 3HD2 LEU 54 16.961 9.669 1.415 467 3HD2 LEU 54 2HD2 LEU 54 16.097 8.223 1.937 468 H ASP 55 H ASP 55 12.319 5.788 0.234 469 HA ASP 55 HA ASP 55 10.094 5.056 0.217 470 1HB ASP 55 2HB ASP 55 9.001 6.533 2.412 471 2HB ASP 55 1HB ASP 55 9.466 4.831 2.362 472 H ASN 56 H ASN 56 10.069 6.599 -1.736 473 HA ASN 56 HA ASN 56 7.966 8.678 -1.311 474 1HB ASN 56 2HB ASN 56 10.066 9.736 -1.997 475 2HB ASN 56 1HB ASN 56 10.201 8.619 -3.358 476 1HD2 ASN 56 2HD2 ASN 56 8.619 11.185 -5.239 477 2HD2 ASN 56 1HD2 ASN 56 10.072 10.356 -4.951 478 H ILE 57 H ILE 57 6.383 7.099 -1.633 479 HA ILE 57 HA ILE 57 5.946 5.137 -3.412 480 HB ILE 57 HB ILE 57 3.870 7.325 -3.245 481 1HG1 ILE 57 2HG1 ILE 57 4.773 5.334 -1.136 482 2HG1 ILE 57 1HG1 ILE 57 4.673 7.086 -0.980 483 1HG2 ILE 57 3HG2 ILE 57 3.993 4.582 -4.146 484 2HG2 ILE 57 2HG2 ILE 57 2.853 4.719 -2.808 485 3HG2 ILE 57 1HG2 ILE 57 2.650 5.720 -4.245 486 1HD1 ILE 57 3HD1 ILE 57 2.294 5.270 -1.446 487 2HD1 ILE 57 2HD1 ILE 57 2.771 5.917 0.124 488 3HD1 ILE 57 1HD1 ILE 57 2.249 7.009 -1.157 489 H ALA 58 H ALA 58 7.265 5.422 -5.262 490 HA ALA 58 HA ALA 58 6.511 7.516 -7.208 491 1HB ALA 58 1HB ALA 58 8.920 6.498 -6.681 492 2HB ALA 58 3HB ALA 58 8.415 5.303 -7.876 493 3HB ALA 58 2HB ALA 58 8.487 7.010 -8.313 494 H GLN 59 H GLN 59 5.400 4.504 -6.318 495 HA GLN 59 HA GLN 59 4.248 4.031 -9.035 496 1HB GLN 59 2HB GLN 59 5.869 2.260 -8.540 497 2HB GLN 59 1HB GLN 59 5.105 1.968 -6.976 498 1HG GLN 59 2HG GLN 59 3.282 1.878 -9.306 499 2HG GLN 59 1HG GLN 59 4.480 0.585 -9.238 500 1HE2 GLN 59 1HE2 GLN 59 2.535 -0.849 -8.795 501 2HE2 GLN 59 2HE2 GLN 59 1.952 -0.950 -7.204 502 H VAL 60 H VAL 60 2.013 3.913 -9.029 503 HA VAL 60 HA VAL 60 0.680 4.309 -6.432 504 HB VAL 60 HB VAL 60 -0.393 4.339 -9.260 505 1HG1 VAL 60 3HG1 VAL 60 -2.006 3.652 -7.372 506 2HG1 VAL 60 2HG1 VAL 60 -1.797 5.291 -6.756 507 3HG1 VAL 60 1HG1 VAL 60 -2.484 5.034 -8.360 508 1HG2 VAL 60 3HG2 VAL 60 0.211 6.532 -7.252 509 2HG2 VAL 60 2HG2 VAL 60 1.106 6.207 -8.737 510 3HG2 VAL 60 1HG2 VAL 60 -0.561 6.780 -8.819 511 HA PRO 61 HA PRO 61 -0.631 0.040 -6.350 512 1HB PRO 61 2HB PRO 61 -1.924 0.242 -3.942 513 2HB PRO 61 1HB PRO 61 -0.166 0.113 -4.085 514 1HG PRO 61 2HG PRO 61 -1.809 2.486 -3.370 515 2HG PRO 61 1HG PRO 61 -0.113 2.143 -2.990 516 1HD PRO 61 2HD PRO 61 -1.083 3.869 -5.048 517 2HD PRO 61 1HD PRO 61 0.600 3.363 -4.787 518 H ARG 62 H ARG 62 -2.843 -1.036 -6.344 519 HA ARG 62 HA ARG 62 -5.102 0.861 -6.610 520 1HB ARG 62 2HB ARG 62 -3.818 -0.441 -8.791 521 2HB ARG 62 1HB ARG 62 -5.427 -1.139 -8.604 522 1HG ARG 62 2HG ARG 62 -5.736 0.738 -10.027 523 2HG ARG 62 1HG ARG 62 -6.284 1.274 -8.439 524 1HD ARG 62 2HD ARG 62 -4.738 2.887 -9.693 525 2HD ARG 62 1HD ARG 62 -4.244 2.491 -8.047 526 HE ARG 62 HE ARG 62 -2.429 1.210 -8.938 527 1HH1 ARG 62 2HH1 ARG 62 -3.726 -0.171 -11.201 528 2HH1 ARG 62 1HH1 ARG 62 -3.045 0.622 -12.583 529 1HH2 ARG 62 1HH2 ARG 62 -1.907 3.360 -10.784 530 2HH2 ARG 62 2HH2 ARG 62 -2.012 2.620 -12.346 531 H VAL 63 H VAL 63 -4.203 -2.553 -6.658 532 HA VAL 63 HA VAL 63 -5.099 -4.343 -5.414 533 HB VAL 63 HB VAL 63 -5.855 -2.010 -3.953 534 1HG1 VAL 63 2HG1 VAL 63 -8.190 -2.517 -4.675 535 2HG1 VAL 63 1HG1 VAL 63 -8.029 -4.122 -3.964 536 3HG1 VAL 63 3HG1 VAL 63 -7.965 -2.693 -2.931 537 1HG2 VAL 63 3HG2 VAL 63 -4.836 -4.604 -3.548 538 2HG2 VAL 63 2HG2 VAL 63 -4.947 -3.302 -2.364 539 3HG2 VAL 63 1HG2 VAL 63 -6.257 -4.476 -2.512 540 H GLY 64 H GLY 64 -6.664 -2.494 -7.685 541 1HA GLY 64 2HA GLY 64 -9.112 -4.183 -7.688 542 2HA GLY 64 1HA GLY 64 -8.895 -2.703 -8.625 No H/Q in entry = 542 Start of MODEL 2 Raw file had 552 H/Q atoms Start of MODEL 2 1 1H MET 1 3H MET 1 -13.823 4.847 -2.955 2 2H MET 1 2H MET 1 -15.384 4.179 -2.884 3 3H MET 1 1H MET 1 -14.245 3.811 -1.679 4 HA MET 1 HA MET 1 -14.048 1.933 -2.912 5 1HB MET 1 2HB MET 1 -15.016 3.737 -5.094 6 2HB MET 1 1HB MET 1 -14.126 2.284 -5.553 7 1HG MET 1 2HG MET 1 -16.179 1.296 -5.410 8 2HG MET 1 1HG MET 1 -15.813 1.254 -3.685 9 1HE MET 1 3HE MET 1 -18.098 1.294 -5.750 10 2HE MET 1 2HE MET 1 -19.459 1.974 -4.861 11 3HE MET 1 1HE MET 1 -18.738 2.884 -6.186 12 H LYS 2 H LYS 2 -12.054 3.821 -2.050 13 HA LYS 2 HA LYS 2 -10.082 4.484 -3.938 14 1HB LYS 2 2HB LYS 2 -10.114 3.910 -1.027 15 2HB LYS 2 1HB LYS 2 -8.542 3.779 -1.818 16 1HG LYS 2 2HG LYS 2 -10.388 6.176 -2.031 17 2HG LYS 2 1HG LYS 2 -8.988 6.080 -0.964 18 1HD LYS 2 2HD LYS 2 -7.681 6.762 -2.662 19 2HD LYS 2 1HD LYS 2 -8.104 5.295 -3.546 20 1HE LYS 2 2HE LYS 2 -10.234 6.505 -4.263 21 2HE LYS 2 1HE LYS 2 -9.498 7.977 -3.629 22 1HZ LYS 2 3HZ LYS 2 -8.222 6.218 -5.651 23 2HZ LYS 2 2HZ LYS 2 -9.113 7.614 -6.031 24 3HZ LYS 2 1HZ LYS 2 -7.680 7.739 -5.131 25 H THR 3 H THR 3 -9.683 2.949 -5.525 26 HA THR 3 HA THR 3 -8.496 0.371 -4.573 27 HB THR 3 HB THR 3 -9.474 0.022 -7.212 28 HG1 THR 3 HG1 THR 3 -11.045 1.423 -7.196 29 1HG2 THR 3 3HG2 THR 3 -10.239 -0.957 -4.476 30 2HG2 THR 3 2HG2 THR 3 -11.141 -1.476 -5.898 31 3HG2 THR 3 1HG2 THR 3 -9.419 -1.829 -5.766 32 H GLU 4 H GLU 4 -7.319 3.054 -5.387 33 HA GLU 4 HA GLU 4 -5.371 1.931 -7.311 34 1HB GLU 4 2HB GLU 4 -7.207 4.242 -7.827 35 2HB GLU 4 1HB GLU 4 -5.570 4.305 -8.481 36 1HG GLU 4 2HG GLU 4 -5.933 2.550 -9.933 37 2HG GLU 4 1HG GLU 4 -7.093 1.765 -8.864 38 H TRP 5 H TRP 5 -6.282 4.774 -5.359 39 HA TRP 5 HA TRP 5 -4.922 6.202 -4.075 40 1HB TRP 5 2HB TRP 5 -2.862 4.000 -4.346 41 2HB TRP 5 1HB TRP 5 -2.910 5.262 -3.111 42 HD1 TRP 5 HD1 TRP 5 -5.220 5.184 -1.508 43 HE1 TRP 5 HE1 TRP 5 -6.377 3.096 -0.527 44 HE3 TRP 5 HE3 TRP 5 -3.387 1.596 -4.654 45 HZ2 TRP 5 HZ2 TRP 5 -6.502 0.275 -1.013 46 HZ3 TRP 5 HZ3 TRP 5 -4.033 -0.774 -4.365 47 HH2 TRP 5 HH2 TRP 5 -5.583 -1.440 -2.553 48 HA PRO 6 HA PRO 6 -2.242 6.789 -7.941 49 1HB PRO 6 2HB PRO 6 -3.864 8.432 -9.443 50 2HB PRO 6 1HB PRO 6 -3.814 6.673 -9.649 51 1HG PRO 6 2HG PRO 6 -5.891 8.351 -8.306 52 2HG PRO 6 1HG PRO 6 -6.070 6.794 -9.133 53 1HD PRO 6 2HD PRO 6 -5.984 7.142 -6.345 54 2HD PRO 6 1HD PRO 6 -5.717 5.616 -7.202 55 H GLU 7 H GLU 7 -4.527 8.746 -6.273 56 HA GLU 7 HA GLU 7 -3.070 11.254 -6.473 57 1HB GLU 7 2HB GLU 7 -5.473 10.260 -5.143 58 2HB GLU 7 1HB GLU 7 -4.540 11.342 -4.107 59 1HG GLU 7 2HG GLU 7 -4.678 13.129 -5.653 60 2HG GLU 7 1HG GLU 7 -5.141 12.060 -6.977 61 H LEU 8 H LEU 8 -2.592 8.331 -4.786 62 HA LEU 8 HA LEU 8 -1.239 9.548 -2.495 63 1HB LEU 8 2HB LEU 8 -2.457 7.378 -2.314 64 2HB LEU 8 1HB LEU 8 -1.279 6.660 -3.412 65 HG LEU 8 HG LEU 8 0.534 7.265 -1.820 66 1HD1 LEU 8 3HD1 LEU 8 -1.799 8.126 -0.082 67 2HD1 LEU 8 2HD1 LEU 8 -0.126 7.988 0.464 68 3HD1 LEU 8 1HD1 LEU 8 -0.562 9.185 -0.757 69 1HD2 LEU 8 2HD2 LEU 8 -1.091 5.122 -1.728 70 2HD2 LEU 8 1HD2 LEU 8 0.215 5.361 -0.570 71 3HD2 LEU 8 3HD2 LEU 8 -1.437 5.796 -0.135 72 H VAL 9 H VAL 9 -0.448 9.098 -5.696 73 HA VAL 9 HA VAL 9 2.167 8.063 -5.660 74 HB VAL 9 HB VAL 9 0.861 10.180 -7.371 75 1HG1 VAL 9 1HG1 VAL 9 3.355 10.640 -7.118 76 2HG1 VAL 9 3HG1 VAL 9 3.639 9.043 -7.817 77 3HG1 VAL 9 2HG1 VAL 9 2.830 10.287 -8.767 78 1HG2 VAL 9 1HG2 VAL 9 1.761 7.314 -7.759 79 2HG2 VAL 9 3HG2 VAL 9 0.115 7.946 -7.829 80 3HG2 VAL 9 2HG2 VAL 9 1.271 8.351 -9.098 81 H GLY 10 H GLY 10 4.217 9.091 -5.501 82 1HA GLY 10 2HA GLY 10 5.762 10.612 -4.635 83 2HA GLY 10 1HA GLY 10 4.522 11.847 -4.831 84 H LYS 11 H LYS 11 3.226 9.375 -2.942 85 HA LYS 11 HA LYS 11 3.689 11.014 -0.510 86 1HB LYS 11 2HB LYS 11 1.403 9.891 -1.448 87 2HB LYS 11 1HB LYS 11 1.954 8.613 -0.363 88 1HG LYS 11 2HG LYS 11 0.642 10.021 1.020 89 2HG LYS 11 1HG LYS 11 2.305 10.495 1.371 90 1HD LYS 11 2HD LYS 11 1.622 12.078 -0.812 91 2HD LYS 11 1HD LYS 11 0.152 12.057 0.164 92 1HE LYS 11 2HE LYS 11 1.493 13.889 0.966 93 2HE LYS 11 1HE LYS 11 1.601 12.607 2.172 94 1HZ LYS 11 3HZ LYS 11 3.581 12.878 -0.008 95 2HZ LYS 11 2HZ LYS 11 3.754 13.699 1.470 96 3HZ LYS 11 1HZ LYS 11 3.720 12.000 1.437 97 H SER 12 H SER 12 3.088 8.582 1.184 98 HA SER 12 HA SER 12 5.575 7.012 0.802 99 1HB SER 12 2HB SER 12 4.934 8.682 3.239 100 2HB SER 12 1HB SER 12 6.067 7.331 3.290 101 HG SER 12 HG SER 12 7.219 9.183 2.829 102 H VAL 13 H VAL 13 5.649 5.183 2.462 103 HA VAL 13 HA VAL 13 3.345 3.578 2.281 104 HB VAL 13 HB VAL 13 5.563 3.508 4.347 105 1HG1 VAL 13 1HG1 VAL 13 3.098 2.084 4.252 106 2HG1 VAL 13 3HG1 VAL 13 4.375 0.956 3.797 107 3HG1 VAL 13 2HG1 VAL 13 4.463 1.813 5.336 108 1HG2 VAL 13 3HG2 VAL 13 6.170 3.267 1.894 109 2HG2 VAL 13 2HG2 VAL 13 6.584 1.876 2.896 110 3HG2 VAL 13 1HG2 VAL 13 5.158 1.823 1.859 111 H GLU 14 H GLU 14 4.281 5.895 4.787 112 HA GLU 14 HA GLU 14 2.575 5.270 6.872 113 1HB GLU 14 2HB GLU 14 2.195 7.923 6.892 114 2HB GLU 14 1HB GLU 14 3.739 7.204 7.349 115 1HG GLU 14 2HG GLU 14 3.401 7.657 4.451 116 2HG GLU 14 1HG GLU 14 3.458 9.126 5.426 117 H GLU 15 H GLU 15 1.531 7.728 4.497 118 HA GLU 15 HA GLU 15 -1.252 7.361 5.054 119 1HB GLU 15 2HB GLU 15 0.369 8.778 3.022 120 2HB GLU 15 1HB GLU 15 -1.259 8.334 2.507 121 1HG GLU 15 2HG GLU 15 -1.237 9.392 5.223 122 2HG GLU 15 1HG GLU 15 -0.581 10.548 4.065 123 H ALA 16 H ALA 16 0.936 5.746 2.811 124 HA ALA 16 HA ALA 16 -1.047 4.519 1.166 125 1HB ALA 16 1HB ALA 16 1.789 4.327 1.527 126 2HB ALA 16 3HB ALA 16 1.120 2.697 1.525 127 3HB ALA 16 2HB ALA 16 0.826 3.771 0.160 128 H LYS 17 H LYS 17 0.881 2.487 3.360 129 HA LYS 17 HA LYS 17 -1.030 0.489 3.721 130 1HB LYS 17 2HB LYS 17 1.412 1.262 4.989 131 2HB LYS 17 1HB LYS 17 0.235 0.914 6.256 132 1HG LYS 17 2HG LYS 17 0.574 -0.953 3.917 133 2HG LYS 17 1HG LYS 17 1.640 -1.061 5.320 134 1HD LYS 17 2HD LYS 17 -1.134 -0.829 6.147 135 2HD LYS 17 1HD LYS 17 -0.912 -2.205 5.065 136 1HE LYS 17 2HE LYS 17 1.267 -2.523 6.627 137 2HE LYS 17 1HE LYS 17 0.192 -1.740 7.787 138 1HZ LYS 17 2HZ LYS 17 -0.646 -4.055 6.140 139 2HZ LYS 17 1HZ LYS 17 0.060 -4.233 7.675 140 3HZ LYS 17 3HZ LYS 17 -1.418 -3.414 7.511 141 H LYS 18 H LYS 18 -0.670 3.515 5.500 142 HA LYS 18 HA LYS 18 -2.506 3.305 7.550 143 1HB LYS 18 2HB LYS 18 -1.311 5.350 7.294 144 2HB LYS 18 1HB LYS 18 -1.921 5.585 5.652 145 1HG LYS 18 2HG LYS 18 -3.749 6.653 6.421 146 2HG LYS 18 1HG LYS 18 -4.116 5.334 7.532 147 1HD LYS 18 2HD LYS 18 -1.919 6.531 8.710 148 2HD LYS 18 1HD LYS 18 -2.815 7.906 8.063 149 1HE LYS 18 2HE LYS 18 -3.740 7.568 10.218 150 2HE LYS 18 1HE LYS 18 -4.897 6.813 9.122 151 1HZ LYS 18 1HZ LYS 18 -2.689 5.291 10.367 152 2HZ LYS 18 3HZ LYS 18 -4.192 5.477 11.130 153 3HZ LYS 18 2HZ LYS 18 -4.095 4.690 9.628 154 H VAL 19 H VAL 19 -3.527 5.005 4.628 155 HA VAL 19 HA VAL 19 -6.310 4.333 5.075 156 HB VAL 19 HB VAL 19 -5.269 5.338 2.439 157 1HG1 VAL 19 2HG1 VAL 19 -7.756 4.950 3.249 158 2HG1 VAL 19 1HG1 VAL 19 -7.511 6.498 4.059 159 3HG1 VAL 19 3HG1 VAL 19 -7.342 6.383 2.306 160 1HG2 VAL 19 2HG2 VAL 19 -5.189 6.762 5.104 161 2HG2 VAL 19 1HG2 VAL 19 -3.920 6.660 3.883 162 3HG2 VAL 19 3HG2 VAL 19 -5.346 7.658 3.595 163 H ILE 20 H ILE 20 -4.039 3.429 2.445 164 HA ILE 20 HA ILE 20 -5.483 1.773 0.864 165 HB ILE 20 HB ILE 20 -2.780 1.188 2.093 166 1HG1 ILE 20 2HG1 ILE 20 -3.471 1.971 -0.746 167 2HG1 ILE 20 1HG1 ILE 20 -3.216 3.182 0.513 168 1HG2 ILE 20 2HG2 ILE 20 -4.518 -0.520 0.473 169 2HG2 ILE 20 1HG2 ILE 20 -2.957 -0.228 -0.296 170 3HG2 ILE 20 3HG2 ILE 20 -3.026 -0.925 1.323 171 1HD1 ILE 20 3HD1 ILE 20 -1.055 1.454 0.815 172 2HD1 ILE 20 2HD1 ILE 20 -1.256 1.572 -0.932 173 3HD1 ILE 20 1HD1 ILE 20 -1.016 3.032 0.026 174 H LEU 21 H LEU 21 -4.194 0.682 4.024 175 HA LEU 21 HA LEU 21 -5.061 -1.912 4.184 176 1HB LEU 21 2HB LEU 21 -4.007 -0.609 6.053 177 2HB LEU 21 1HB LEU 21 -5.586 0.118 6.371 178 HG LEU 21 HG LEU 21 -5.338 -2.873 6.230 179 1HD1 LEU 21 1HD1 LEU 21 -4.096 -1.107 8.214 180 2HD1 LEU 21 3HD1 LEU 21 -5.216 -2.266 8.930 181 3HD1 LEU 21 2HD1 LEU 21 -3.865 -2.836 7.950 182 1HD2 LEU 21 1HD2 LEU 21 -7.186 -0.821 7.406 183 2HD2 LEU 21 3HD2 LEU 21 -7.573 -2.256 6.455 184 3HD2 LEU 21 2HD2 LEU 21 -7.102 -2.420 8.147 185 H GLN 22 H GLN 22 -7.228 0.849 4.939 186 HA GLN 22 HA GLN 22 -9.460 -1.009 4.255 187 1HB GLN 22 2HB GLN 22 -8.946 0.385 6.690 188 2HB GLN 22 1HB GLN 22 -10.404 1.061 5.961 189 1HG GLN 22 2HG GLN 22 -11.416 -1.135 5.780 190 2HG GLN 22 1HG GLN 22 -9.927 -1.923 6.303 191 1HE2 GLN 22 2HE2 GLN 22 -12.352 -1.428 9.202 192 2HE2 GLN 22 1HE2 GLN 22 -12.581 -2.054 7.641 193 H ASP 23 H ASP 23 -7.976 1.198 2.658 194 HA ASP 23 HA ASP 23 -9.776 3.384 2.257 195 1HB ASP 23 2HB ASP 23 -7.508 2.204 0.853 196 2HB ASP 23 1HB ASP 23 -8.763 2.695 -0.283 197 H LYS 24 H LYS 24 -9.398 0.381 0.423 198 HA LYS 24 HA LYS 24 -12.032 0.488 -0.790 199 1HB LYS 24 2HB LYS 24 -9.669 -0.912 -1.162 200 2HB LYS 24 1HB LYS 24 -10.704 -2.136 -0.450 201 1HG LYS 24 2HG LYS 24 -12.464 -1.424 -2.190 202 2HG LYS 24 1HG LYS 24 -11.166 -0.529 -2.967 203 1HD LYS 24 2HD LYS 24 -9.944 -2.487 -3.462 204 2HD LYS 24 1HD LYS 24 -10.834 -3.444 -2.278 205 1HE LYS 24 2HE LYS 24 -12.329 -2.195 -4.558 206 2HE LYS 24 1HE LYS 24 -11.408 -3.672 -4.840 207 1HZ LYS 24 3HZ LYS 24 -12.628 -4.394 -2.652 208 2HZ LYS 24 2HZ LYS 24 -13.765 -3.240 -3.161 209 3HZ LYS 24 1HZ LYS 24 -13.375 -4.554 -4.166 210 HA PRO 25 HA PRO 25 -14.176 -1.571 2.546 211 1HB PRO 25 2HB PRO 25 -14.377 -4.314 2.291 212 2HB PRO 25 1HB PRO 25 -15.407 -3.156 1.431 213 1HG PRO 25 2HG PRO 25 -13.088 -4.741 0.402 214 2HG PRO 25 1HG PRO 25 -14.530 -4.174 -0.458 215 1HD PRO 25 2HD PRO 25 -12.028 -2.996 -0.648 216 2HD PRO 25 1HD PRO 25 -13.551 -2.170 -1.024 217 H GLU 26 H GLU 26 -11.439 -3.729 1.785 218 HA GLU 26 HA GLU 26 -10.078 -3.095 4.263 219 1HB GLU 26 2HB GLU 26 -10.597 -6.020 4.145 220 2HB GLU 26 1HB GLU 26 -10.367 -4.971 5.540 221 1HG GLU 26 2HG GLU 26 -12.640 -4.196 5.431 222 2HG GLU 26 1HG GLU 26 -12.883 -4.949 3.853 223 H ALA 27 H ALA 27 -9.185 -2.793 1.748 224 HA ALA 27 HA ALA 27 -7.679 -5.209 1.017 225 1HB ALA 27 2HB ALA 27 -8.136 -2.529 -0.262 226 2HB ALA 27 1HB ALA 27 -6.797 -3.540 -0.805 227 3HB ALA 27 3HB ALA 27 -8.455 -4.138 -0.919 228 H GLN 28 H GLN 28 -5.749 -5.585 1.999 229 HA GLN 28 HA GLN 28 -4.331 -3.361 3.325 230 1HB GLN 28 2HB GLN 28 -3.252 -6.157 3.178 231 2HB GLN 28 1HB GLN 28 -3.138 -4.989 4.493 232 1HG GLN 28 2HG GLN 28 -5.679 -5.229 4.725 233 2HG GLN 28 1HG GLN 28 -5.531 -6.647 3.686 234 1HE2 GLN 28 2HE2 GLN 28 -5.162 -7.622 7.334 235 2HE2 GLN 28 1HE2 GLN 28 -6.343 -6.733 6.501 236 H ILE 29 H ILE 29 -1.751 -3.615 3.034 237 HA ILE 29 HA ILE 29 -1.105 -4.231 0.226 238 HB ILE 29 HB ILE 29 -1.814 -1.889 0.128 239 1HG1 ILE 29 2HG1 ILE 29 1.190 -1.820 0.042 240 2HG1 ILE 29 1HG1 ILE 29 0.317 -2.897 -1.047 241 1HG2 ILE 29 1HG2 ILE 29 -0.734 -1.740 2.681 242 2HG2 ILE 29 3HG2 ILE 29 0.434 -0.854 1.701 243 3HG2 ILE 29 2HG2 ILE 29 -1.260 -0.363 1.713 244 1HD1 ILE 29 1HD1 ILE 29 -0.178 0.078 -0.794 245 2HD1 ILE 29 3HD1 ILE 29 0.754 -0.686 -2.080 246 3HD1 ILE 29 2HD1 ILE 29 -0.971 -1.015 -1.927 247 H ILE 30 H ILE 30 0.974 -4.864 -0.052 248 HA ILE 30 HA ILE 30 2.687 -5.091 2.353 249 HB ILE 30 HB ILE 30 2.439 -6.434 -0.292 250 1HG1 ILE 30 2HG1 ILE 30 3.515 -7.579 2.275 251 2HG1 ILE 30 1HG1 ILE 30 1.790 -7.256 2.090 252 1HG2 ILE 30 3HG2 ILE 30 5.103 -5.993 1.052 253 2HG2 ILE 30 2HG2 ILE 30 4.794 -7.394 0.028 254 3HG2 ILE 30 1HG2 ILE 30 4.681 -5.769 -0.647 255 1HD1 ILE 30 3HD1 ILE 30 1.896 -8.596 -0.074 256 2HD1 ILE 30 2HD1 ILE 30 3.513 -9.099 0.419 257 3HD1 ILE 30 1HD1 ILE 30 2.116 -9.529 1.407 258 H VAL 31 H VAL 31 5.073 -4.457 2.025 259 HA VAL 31 HA VAL 31 5.289 -2.228 0.055 260 HB VAL 31 HB VAL 31 4.899 -1.243 2.260 261 1HG1 VAL 31 3HG1 VAL 31 7.298 -2.908 3.081 262 2HG1 VAL 31 2HG1 VAL 31 6.551 -1.664 4.083 263 3HG1 VAL 31 1HG1 VAL 31 5.641 -3.111 3.651 264 1HG2 VAL 31 1HG2 VAL 31 7.409 -0.952 0.765 265 2HG2 VAL 31 3HG2 VAL 31 6.314 0.290 1.371 266 3HG2 VAL 31 2HG2 VAL 31 7.532 -0.409 2.438 267 H LEU 32 H LEU 32 7.200 -2.180 -1.080 268 HA LEU 32 HA LEU 32 9.549 -3.638 -0.044 269 1HB LEU 32 2HB LEU 32 9.719 -4.681 -2.464 270 2HB LEU 32 1HB LEU 32 8.793 -5.492 -1.218 271 HG LEU 32 HG LEU 32 7.634 -3.640 -3.294 272 1HD1 LEU 32 3HD1 LEU 32 7.955 -6.637 -3.062 273 2HD1 LEU 32 2HD1 LEU 32 6.649 -5.944 -4.021 274 3HD1 LEU 32 1HD1 LEU 32 8.328 -5.596 -4.436 275 1HD2 LEU 32 2HD2 LEU 32 6.560 -5.040 -0.897 276 2HD2 LEU 32 1HD2 LEU 32 5.946 -3.608 -1.724 277 3HD2 LEU 32 3HD2 LEU 32 5.596 -5.215 -2.362 278 HA PRO 33 HA PRO 33 11.677 -0.613 -2.335 279 1HB PRO 33 2HB PRO 33 14.027 -1.943 -2.844 280 2HB PRO 33 1HB PRO 33 13.588 -1.324 -1.243 281 1HG PRO 33 2HG PRO 33 13.594 -4.136 -2.222 282 2HG PRO 33 1HG PRO 33 13.765 -3.523 -0.570 283 1HD PRO 33 2HD PRO 33 11.410 -4.622 -1.716 284 2HD PRO 33 1HD PRO 33 11.522 -3.756 -0.169 285 H VAL 34 H VAL 34 11.842 0.021 -4.503 286 HA VAL 34 HA VAL 34 10.735 -1.681 -6.502 287 HB VAL 34 HB VAL 34 11.410 0.066 -8.100 288 1HG1 VAL 34 1HG1 VAL 34 10.168 0.733 -5.477 289 2HG1 VAL 34 3HG1 VAL 34 10.609 2.088 -6.516 290 3HG1 VAL 34 2HG1 VAL 34 9.496 0.853 -7.104 291 1HG2 VAL 34 3HG2 VAL 34 13.574 0.376 -6.343 292 2HG2 VAL 34 2HG2 VAL 34 13.226 1.367 -7.760 293 3HG2 VAL 34 1HG2 VAL 34 12.642 1.863 -6.172 294 H GLY 35 H GLY 35 13.834 -1.667 -5.137 295 1HA GLY 35 2HA GLY 35 15.691 -2.130 -7.102 296 2HA GLY 35 1HA GLY 35 15.649 -3.101 -5.633 297 H THR 36 H THR 36 14.434 -5.115 -5.681 298 HA THR 36 HA THR 36 14.344 -6.266 -8.421 299 HB THR 36 HB THR 36 14.659 -8.378 -7.427 300 HG1 THR 36 HG1 THR 36 14.460 -8.234 -4.913 301 1HG2 THR 36 2HG2 THR 36 16.641 -6.931 -7.153 302 2HG2 THR 36 1HG2 THR 36 16.031 -6.395 -5.587 303 3HG2 THR 36 3HG2 THR 36 16.503 -8.077 -5.820 304 H ILE 37 H ILE 37 12.584 -8.349 -8.065 305 HA ILE 37 HA ILE 37 10.020 -7.076 -7.229 306 HB ILE 37 HB ILE 37 10.620 -7.079 -9.806 307 1HG1 ILE 37 2HG1 ILE 37 8.446 -6.418 -8.740 308 2HG1 ILE 37 1HG1 ILE 37 8.258 -7.155 -10.329 309 1HG2 ILE 37 2HG2 ILE 37 10.961 -9.705 -9.485 310 2HG2 ILE 37 1HG2 ILE 37 9.227 -9.717 -9.801 311 3HG2 ILE 37 3HG2 ILE 37 10.335 -9.030 -10.988 312 1HD1 ILE 37 2HD1 ILE 37 7.857 -9.358 -9.164 313 2HD1 ILE 37 1HD1 ILE 37 7.827 -8.475 -7.638 314 3HD1 ILE 37 3HD1 ILE 37 6.612 -8.144 -8.872 315 H VAL 38 H VAL 38 11.567 -8.963 -5.766 316 HA VAL 38 HA VAL 38 10.586 -11.656 -6.225 317 HB VAL 38 HB VAL 38 12.725 -11.069 -5.009 318 1HG1 VAL 38 2HG1 VAL 38 11.322 -9.280 -3.638 319 2HG1 VAL 38 1HG1 VAL 38 11.060 -10.646 -2.553 320 3HG1 VAL 38 3HG1 VAL 38 12.700 -10.097 -2.901 321 1HG2 VAL 38 1HG2 VAL 38 11.379 -13.279 -4.826 322 2HG2 VAL 38 3HG2 VAL 38 12.591 -12.957 -3.586 323 3HG2 VAL 38 2HG2 VAL 38 10.884 -12.683 -3.241 324 H THR 39 H THR 39 8.838 -12.686 -5.250 325 HA THR 39 HA THR 39 6.590 -11.178 -4.445 326 HB THR 39 HB THR 39 6.242 -13.601 -3.154 327 HG1 THR 39 HG1 THR 39 7.144 -14.926 -5.049 328 1HG2 THR 39 1HG2 THR 39 5.566 -12.394 -5.757 329 2HG2 THR 39 3HG2 THR 39 5.475 -14.155 -5.724 330 3HG2 THR 39 2HG2 THR 39 4.524 -13.201 -4.585 331 1H GLU 41 2H GLU 41 -10.905 -8.381 -9.763 332 2H GLU 41 1H GLU 41 -10.455 -9.515 -10.944 333 3H GLU 41 3H GLU 41 -12.096 -9.190 -10.664 334 HA GLU 41 HA GLU 41 -11.641 -11.249 -9.623 335 1HB GLU 41 2HB GLU 41 -9.811 -11.475 -7.994 336 2HB GLU 41 1HB GLU 41 -9.181 -10.990 -9.570 337 1HG GLU 41 2HG GLU 41 -8.921 -8.715 -8.864 338 2HG GLU 41 1HG GLU 41 -9.854 -8.997 -7.393 339 H TYR 42 H TYR 42 -11.342 -11.406 -6.885 340 HA TYR 42 HA TYR 42 -13.710 -9.988 -5.971 341 1HB TYR 42 2HB TYR 42 -13.074 -11.131 -3.759 342 2HB TYR 42 1HB TYR 42 -13.387 -12.197 -5.121 343 HD1 TYR 42 HD1 TYR 42 -10.524 -10.315 -3.587 344 HD2 TYR 42 HD2 TYR 42 -11.844 -13.865 -5.594 345 HE1 TYR 42 HE1 TYR 42 -8.265 -11.262 -3.370 346 HE2 TYR 42 HE2 TYR 42 -9.572 -14.824 -5.380 347 HH TYR 42 HH TYR 42 -7.588 -14.597 -4.162 348 H ARG 43 H ARG 43 -12.570 -9.567 -3.199 349 HA ARG 43 HA ARG 43 -11.241 -6.962 -3.783 350 1HB ARG 43 2HB ARG 43 -12.066 -6.209 -1.657 351 2HB ARG 43 1HB ARG 43 -13.412 -7.015 -2.463 352 1HG ARG 43 2HG ARG 43 -12.226 -9.108 -1.139 353 2HG ARG 43 1HG ARG 43 -11.958 -7.778 -0.011 354 1HD ARG 43 2HD ARG 43 -14.232 -7.423 0.322 355 2HD ARG 43 1HD ARG 43 -14.672 -8.093 -1.249 356 HE ARG 43 HE ARG 43 -13.918 -10.349 -0.158 357 1HH1 ARG 43 1HH2 ARG 43 -13.552 -10.520 2.391 358 2HH1 ARG 43 2HH2 ARG 43 -15.027 -10.214 3.246 359 1HH2 ARG 43 2HH1 ARG 43 -16.591 -8.708 0.544 360 2HH2 ARG 43 1HH1 ARG 43 -16.748 -9.188 2.200 361 H ILE 44 H ILE 44 -9.324 -8.694 -4.084 362 HA ILE 44 HA ILE 44 -8.092 -10.009 -1.965 363 HB ILE 44 HB ILE 44 -7.091 -10.000 -4.202 364 1HG1 ILE 44 2HG1 ILE 44 -5.201 -8.692 -2.220 365 2HG1 ILE 44 1HG1 ILE 44 -5.676 -10.387 -2.145 366 1HG2 ILE 44 1HG2 ILE 44 -7.474 -7.214 -3.994 367 2HG2 ILE 44 3HG2 ILE 44 -5.726 -7.450 -4.047 368 3HG2 ILE 44 2HG2 ILE 44 -6.741 -8.085 -5.342 369 1HD1 ILE 44 3HD1 ILE 44 -4.777 -10.741 -4.420 370 2HD1 ILE 44 2HD1 ILE 44 -4.296 -9.046 -4.492 371 3HD1 ILE 44 1HD1 ILE 44 -3.528 -10.132 -3.334 372 H ASP 45 H ASP 45 -6.347 -9.237 -0.467 373 HA ASP 45 HA ASP 45 -6.735 -6.359 0.171 374 1HB ASP 45 2HB ASP 45 -7.096 -6.801 2.439 375 2HB ASP 45 1HB ASP 45 -7.912 -8.157 1.660 376 H ARG 46 H ARG 46 -4.661 -7.157 -1.399 377 HA ARG 46 HA ARG 46 -2.380 -6.402 0.286 378 1HB ARG 46 2HB ARG 46 -2.246 -8.822 0.456 379 2HB ARG 46 1HB ARG 46 -2.456 -8.997 -1.287 380 1HG ARG 46 2HG ARG 46 -0.233 -7.225 -0.515 381 2HG ARG 46 1HG ARG 46 -0.024 -8.907 -0.022 382 1HD ARG 46 2HD ARG 46 -0.956 -8.263 -2.806 383 2HD ARG 46 1HD ARG 46 0.764 -8.184 -2.409 384 HE ARG 46 HE ARG 46 -0.548 -10.574 -2.986 385 1HH1 ARG 46 1HH2 ARG 46 -0.882 -10.810 -0.017 386 2HH1 ARG 46 2HH2 ARG 46 0.577 -11.619 0.450 387 1HH2 ARG 46 2HH1 ARG 46 2.223 -10.940 -2.525 388 2HH2 ARG 46 1HH1 ARG 46 2.331 -11.695 -0.970 389 H VAL 47 H VAL 47 -0.669 -5.470 -1.012 390 HA VAL 47 HA VAL 47 -1.056 -5.395 -3.933 391 HB VAL 47 HB VAL 47 -0.697 -2.670 -2.928 392 1HG1 VAL 47 1HG1 VAL 47 -1.226 -3.284 -5.259 393 2HG1 VAL 47 3HG1 VAL 47 -2.756 -3.982 -4.727 394 3HG1 VAL 47 2HG1 VAL 47 -2.479 -2.246 -4.577 395 1HG2 VAL 47 1HG2 VAL 47 -3.245 -4.169 -2.230 396 2HG2 VAL 47 3HG2 VAL 47 -2.144 -3.381 -1.100 397 3HG2 VAL 47 2HG2 VAL 47 -3.094 -2.411 -2.224 398 H ARG 48 H ARG 48 0.796 -4.064 -4.951 399 HA ARG 48 HA ARG 48 3.264 -4.676 -3.409 400 1HB ARG 48 2HB ARG 48 2.536 -4.654 -6.237 401 2HB ARG 48 1HB ARG 48 4.023 -3.749 -5.929 402 1HG ARG 48 2HG ARG 48 4.220 -6.305 -6.370 403 2HG ARG 48 1HG ARG 48 5.121 -5.625 -5.019 404 1HD ARG 48 2HD ARG 48 3.693 -6.544 -3.422 405 2HD ARG 48 1HD ARG 48 2.337 -6.638 -4.546 406 HE ARG 48 HE ARG 48 4.113 -8.767 -4.044 407 1HH1 ARG 48 1HH2 ARG 48 5.360 -7.968 -6.624 408 2HH1 ARG 48 2HH2 ARG 48 4.402 -8.824 -7.785 409 1HH2 ARG 48 2HH1 ARG 48 1.802 -9.451 -5.579 410 2HH2 ARG 48 1HH1 ARG 48 2.389 -9.663 -7.194 411 H LEU 49 H LEU 49 3.380 -2.881 -2.011 412 HA LEU 49 HA LEU 49 3.238 -0.184 -3.184 413 1HB LEU 49 2HB LEU 49 2.239 -0.500 -0.972 414 2HB LEU 49 1HB LEU 49 3.778 -1.076 -0.339 415 HG LEU 49 HG LEU 49 4.728 1.031 -0.329 416 1HD1 LEU 49 2HD1 LEU 49 2.863 1.635 -2.631 417 2HD1 LEU 49 1HD1 LEU 49 3.743 2.916 -1.798 418 3HD1 LEU 49 3HD1 LEU 49 4.629 1.635 -2.629 419 1HD2 LEU 49 2HD2 LEU 49 2.449 0.902 0.951 420 2HD2 LEU 49 1HD2 LEU 49 3.224 2.473 0.745 421 3HD2 LEU 49 3HD2 LEU 49 1.882 2.006 -0.301 422 H PHE 50 H PHE 50 5.089 -0.456 -4.575 423 HA PHE 50 HA PHE 50 7.729 -1.042 -3.602 424 1HB PHE 50 2HB PHE 50 6.511 0.190 -6.038 425 2HB PHE 50 1HB PHE 50 8.235 0.471 -5.763 426 HD1 PHE 50 HD1 PHE 50 6.512 -2.557 -4.588 427 HD2 PHE 50 HD2 PHE 50 8.948 -0.845 -7.678 428 HE1 PHE 50 HE1 PHE 50 6.987 -4.815 -5.469 429 HE2 PHE 50 HE2 PHE 50 9.429 -3.111 -8.555 430 HZ PHE 50 HZ PHE 50 8.451 -5.102 -7.447 431 H VAL 51 H VAL 51 9.478 0.613 -3.294 432 HA VAL 51 HA VAL 51 8.366 3.255 -2.429 433 HB VAL 51 HB VAL 51 10.349 3.312 -0.837 434 1HG1 VAL 51 2HG1 VAL 51 7.815 2.133 -0.602 435 2HG1 VAL 51 1HG1 VAL 51 8.920 0.970 0.131 436 3HG1 VAL 51 3HG1 VAL 51 8.868 2.632 0.721 437 1HG2 VAL 51 2HG2 VAL 51 11.517 1.427 -2.135 438 2HG2 VAL 51 1HG2 VAL 51 11.539 1.299 -0.377 439 3HG2 VAL 51 3HG2 VAL 51 10.408 0.327 -1.318 440 H ASP 52 H ASP 52 10.564 4.788 -2.190 441 HA ASP 52 HA ASP 52 11.962 4.498 -4.815 442 1HB ASP 52 2HB ASP 52 11.549 6.692 -5.395 443 2HB ASP 52 1HB ASP 52 10.100 6.369 -4.451 444 H LYS 53 H LYS 53 13.534 6.890 -4.329 445 HA LYS 53 HA LYS 53 15.793 5.787 -3.027 446 1HB LYS 53 2HB LYS 53 15.172 8.720 -3.316 447 2HB LYS 53 1HB LYS 53 16.755 7.942 -3.379 448 1HG LYS 53 2HG LYS 53 15.800 6.665 -5.427 449 2HG LYS 53 1HG LYS 53 14.541 7.903 -5.435 450 1HD LYS 53 2HD LYS 53 17.526 8.299 -5.754 451 2HD LYS 53 1HD LYS 53 16.254 8.686 -6.914 452 1HE LYS 53 2HE LYS 53 16.345 10.778 -6.047 453 2HE LYS 53 1HE LYS 53 15.463 10.100 -4.681 454 1HZ LYS 53 1HZ LYS 53 18.137 9.466 -4.314 455 2HZ LYS 53 3HZ LYS 53 18.097 11.101 -4.762 456 3HZ LYS 53 2HZ LYS 53 17.201 10.566 -3.420 457 H LEU 54 H LEU 54 13.638 8.429 -1.917 458 HA LEU 54 HA LEU 54 14.577 7.950 0.864 459 1HB LEU 54 2HB LEU 54 13.775 10.268 -0.650 460 2HB LEU 54 1HB LEU 54 12.750 10.107 0.777 461 HG LEU 54 HG LEU 54 14.688 11.405 1.413 462 1HD1 LEU 54 1HD1 LEU 54 13.948 9.008 2.635 463 2HD1 LEU 54 3HD1 LEU 54 15.709 8.925 2.562 464 3HD1 LEU 54 2HD1 LEU 54 14.922 10.287 3.361 465 1HD2 LEU 54 1HD2 LEU 54 15.985 9.885 -0.536 466 2HD2 LEU 54 3HD2 LEU 54 16.743 11.065 0.534 467 3HD2 LEU 54 2HD2 LEU 54 16.724 9.358 0.977 468 H ASP 55 H ASP 55 12.884 5.950 -0.150 469 HA ASP 55 HA ASP 55 10.819 4.886 0.242 470 1HB ASP 55 2HB ASP 55 10.067 6.107 2.714 471 2HB ASP 55 1HB ASP 55 10.789 4.517 2.463 472 H ASN 56 H ASN 56 10.185 6.566 -1.542 473 HA ASN 56 HA ASN 56 7.806 8.060 -0.536 474 1HB ASN 56 2HB ASN 56 9.351 9.800 -1.061 475 2HB ASN 56 1HB ASN 56 9.901 8.972 -2.519 476 1HD2 ASN 56 2HD2 ASN 56 7.618 10.900 -4.385 477 2HD2 ASN 56 1HD2 ASN 56 9.219 10.370 -4.185 478 H ILE 57 H ILE 57 6.165 6.891 -1.265 479 HA ILE 57 HA ILE 57 5.920 4.930 -3.094 480 HB ILE 57 HB ILE 57 3.915 7.198 -2.962 481 1HG1 ILE 57 2HG1 ILE 57 4.328 4.770 -1.182 482 2HG1 ILE 57 1HG1 ILE 57 4.467 6.459 -0.700 483 1HG2 ILE 57 1HG2 ILE 57 4.014 4.671 -4.340 484 2HG2 ILE 57 3HG2 ILE 57 2.737 4.622 -3.125 485 3HG2 ILE 57 2HG2 ILE 57 2.733 5.884 -4.357 486 1HD1 ILE 57 2HD1 ILE 57 1.897 5.616 -1.951 487 2HD1 ILE 57 1HD1 ILE 57 2.217 5.059 -0.308 488 3HD1 ILE 57 3HD1 ILE 57 2.193 6.786 -0.665 489 H ALA 58 H ALA 58 7.447 5.228 -4.795 490 HA ALA 58 HA ALA 58 6.926 7.366 -6.769 491 1HB ALA 58 2HB ALA 58 9.002 5.165 -6.593 492 2HB ALA 58 1HB ALA 58 8.864 6.244 -7.981 493 3HB ALA 58 3HB ALA 58 9.255 6.899 -6.391 494 H GLN 59 H GLN 59 5.811 4.273 -6.073 495 HA GLN 59 HA GLN 59 4.644 4.035 -8.794 496 1HB GLN 59 2HB GLN 59 6.529 2.182 -7.514 497 2HB GLN 59 1HB GLN 59 5.037 1.401 -8.041 498 1HG GLN 59 2HG GLN 59 5.907 3.242 -10.073 499 2HG GLN 59 1HG GLN 59 7.242 2.169 -9.649 500 1HE2 GLN 59 2HE2 GLN 59 4.972 -0.750 -10.355 501 2HE2 GLN 59 1HE2 GLN 59 5.724 -0.165 -8.951 502 H VAL 60 H VAL 60 2.719 4.839 -7.730 503 HA VAL 60 HA VAL 60 1.538 3.937 -5.389 504 HB VAL 60 HB VAL 60 0.474 5.013 -7.964 505 1HG1 VAL 60 2HG1 VAL 60 -1.211 3.644 -5.857 506 2HG1 VAL 60 1HG1 VAL 60 -1.862 4.917 -6.888 507 3HG1 VAL 60 3HG1 VAL 60 -1.261 3.422 -7.605 508 1HG2 VAL 60 2HG2 VAL 60 1.324 6.466 -6.150 509 2HG2 VAL 60 1HG2 VAL 60 -0.397 6.734 -6.435 510 3HG2 VAL 60 3HG2 VAL 60 0.131 5.778 -5.049 511 HA PRO 61 HA PRO 61 0.550 -0.302 -6.241 512 1HB PRO 61 2HB PRO 61 -0.923 -0.714 -3.958 513 2HB PRO 61 1HB PRO 61 0.847 -0.648 -3.973 514 1HG PRO 61 2HG PRO 61 -1.092 1.380 -2.976 515 2HG PRO 61 1HG PRO 61 0.597 1.121 -2.511 516 1HD PRO 61 2HD PRO 61 -0.381 3.136 -4.263 517 2HD PRO 61 1HD PRO 61 1.322 2.712 -3.984 518 H ARG 62 H ARG 62 -1.569 -1.643 -6.395 519 HA ARG 62 HA ARG 62 -4.017 0.003 -6.622 520 1HB ARG 62 2HB ARG 62 -2.421 -0.439 -8.866 521 2HB ARG 62 1HB ARG 62 -3.706 -1.638 -9.008 522 1HG ARG 62 2HG ARG 62 -4.720 0.190 -10.018 523 2HG ARG 62 1HG ARG 62 -5.250 0.408 -8.351 524 1HD ARG 62 2HD ARG 62 -4.422 2.532 -8.786 525 2HD ARG 62 1HD ARG 62 -2.963 1.763 -8.171 526 HE ARG 62 HE ARG 62 -2.587 1.268 -10.748 527 1HH1 ARG 62 2HH1 ARG 62 -4.775 3.034 -11.669 528 2HH1 ARG 62 1HH1 ARG 62 -3.975 4.555 -11.887 529 1HH2 ARG 62 1HH2 ARG 62 -1.207 3.670 -9.995 530 2HH2 ARG 62 2HH2 ARG 62 -1.956 4.915 -10.938 531 H VAL 63 H VAL 63 -5.655 -1.161 -5.779 532 HA VAL 63 HA VAL 63 -5.401 -4.139 -5.730 533 HB VAL 63 HB VAL 63 -6.650 -2.123 -3.886 534 1HG1 VAL 63 2HG1 VAL 63 -8.489 -3.702 -4.498 535 2HG1 VAL 63 1HG1 VAL 63 -7.467 -5.043 -3.983 536 3HG1 VAL 63 3HG1 VAL 63 -8.008 -3.845 -2.807 537 1HG2 VAL 63 3HG2 VAL 63 -4.373 -3.186 -3.550 538 2HG2 VAL 63 2HG2 VAL 63 -5.492 -3.407 -2.206 539 3HG2 VAL 63 1HG2 VAL 63 -5.200 -4.728 -3.337 540 H GLY 64 H GLY 64 -7.308 -5.383 -6.272 541 1HA GLY 64 2HA GLY 64 -9.244 -5.846 -7.515 542 2HA GLY 64 1HA GLY 64 -9.770 -4.203 -7.142 No H/Q in entry = 542 Start of MODEL 3 Raw file had 552 H/Q atoms Start of MODEL 3 1 1H MET 1 3H MET 1 -13.758 4.732 -4.833 2 2H MET 1 2H MET 1 -14.763 3.401 -4.507 3 3H MET 1 1H MET 1 -15.087 4.908 -3.794 4 HA MET 1 HA MET 1 -13.755 4.497 -2.092 5 1HB MET 1 2HB MET 1 -14.036 1.895 -3.483 6 2HB MET 1 1HB MET 1 -12.724 1.992 -2.305 7 1HG MET 1 2HG MET 1 -14.497 1.362 -0.936 8 2HG MET 1 1HG MET 1 -14.571 3.118 -0.795 9 1HE MET 1 1HE MET 1 -16.484 3.031 0.118 10 2HE MET 1 3HE MET 1 -17.757 3.741 -0.884 11 3HE MET 1 2HE MET 1 -17.897 2.076 -0.324 12 H LYS 2 H LYS 2 -11.424 3.692 -1.455 13 HA LYS 2 HA LYS 2 -9.574 4.981 -3.362 14 1HB LYS 2 2HB LYS 2 -9.515 4.206 -0.484 15 2HB LYS 2 1HB LYS 2 -7.971 4.306 -1.333 16 1HG LYS 2 2HG LYS 2 -9.698 6.561 -1.976 17 2HG LYS 2 1HG LYS 2 -9.391 6.449 -0.242 18 1HD LYS 2 2HD LYS 2 -6.964 5.926 -1.731 19 2HD LYS 2 1HD LYS 2 -7.651 7.485 -2.196 20 1HE LYS 2 2HE LYS 2 -7.180 8.413 -0.188 21 2HE LYS 2 1HE LYS 2 -7.748 6.996 0.692 22 1HZ LYS 2 2HZ LYS 2 -5.150 7.107 -0.734 23 2HZ LYS 2 1HZ LYS 2 -5.328 7.452 0.919 24 3HZ LYS 2 3HZ LYS 2 -5.690 5.902 0.336 25 H THR 3 H THR 3 -9.759 3.191 -4.957 26 HA THR 3 HA THR 3 -8.292 0.721 -4.125 27 HB THR 3 HB THR 3 -9.439 -0.442 -5.798 28 HG1 THR 3 HG1 THR 3 -9.780 0.416 -7.678 29 1HG2 THR 3 2HG2 THR 3 -10.929 1.000 -4.029 30 2HG2 THR 3 1HG2 THR 3 -11.618 1.546 -5.557 31 3HG2 THR 3 3HG2 THR 3 -11.613 -0.171 -5.156 32 H GLU 4 H GLU 4 -7.529 3.615 -5.335 33 HA GLU 4 HA GLU 4 -5.546 2.461 -7.256 34 1HB GLU 4 2HB GLU 4 -6.950 5.154 -7.364 35 2HB GLU 4 1HB GLU 4 -5.677 4.643 -8.469 36 1HG GLU 4 2HG GLU 4 -7.240 3.649 -9.758 37 2HG GLU 4 1HG GLU 4 -7.608 2.554 -8.424 38 H TRP 5 H TRP 5 -6.161 5.420 -5.361 39 HA TRP 5 HA TRP 5 -4.730 6.583 -3.906 40 1HB TRP 5 2HB TRP 5 -2.780 4.309 -4.309 41 2HB TRP 5 1HB TRP 5 -2.809 5.477 -2.994 42 HD1 TRP 5 HD1 TRP 5 -5.188 5.369 -1.460 43 HE1 TRP 5 HE1 TRP 5 -6.366 3.258 -0.602 44 HE3 TRP 5 HE3 TRP 5 -3.355 1.888 -4.752 45 HZ2 TRP 5 HZ2 TRP 5 -6.502 0.476 -1.179 46 HZ3 TRP 5 HZ3 TRP 5 -4.017 -0.482 -4.537 47 HH2 TRP 5 HH2 TRP 5 -5.585 -1.185 -2.762 48 HA PRO 6 HA PRO 6 -1.967 7.259 -7.707 49 1HB PRO 6 2HB PRO 6 -3.486 9.064 -9.136 50 2HB PRO 6 1HB PRO 6 -3.502 7.320 -9.450 51 1HG PRO 6 2HG PRO 6 -5.536 8.993 -8.031 52 2HG PRO 6 1HG PRO 6 -5.764 7.511 -8.976 53 1HD PRO 6 2HD PRO 6 -5.738 7.631 -6.176 54 2HD PRO 6 1HD PRO 6 -5.470 6.174 -7.143 55 H GLU 7 H GLU 7 -4.144 9.176 -5.868 56 HA GLU 7 HA GLU 7 -2.679 11.676 -5.942 57 1HB GLU 7 2HB GLU 7 -5.102 10.871 -4.921 58 2HB GLU 7 1HB GLU 7 -4.128 11.050 -3.461 59 1HG GLU 7 2HG GLU 7 -3.751 13.238 -5.382 60 2HG GLU 7 1HG GLU 7 -5.403 13.119 -4.774 61 H LEU 8 H LEU 8 -2.198 8.640 -4.401 62 HA LEU 8 HA LEU 8 -0.711 9.562 -2.116 63 1HB LEU 8 2HB LEU 8 -0.888 7.368 -1.597 64 2HB LEU 8 1HB LEU 8 -1.646 7.098 -3.155 65 HG LEU 8 HG LEU 8 1.354 7.066 -2.690 66 1HD1 LEU 8 3HD1 LEU 8 -0.727 4.875 -2.809 67 2HD1 LEU 8 2HD1 LEU 8 0.975 4.565 -3.149 68 3HD1 LEU 8 1HD1 LEU 8 0.489 5.158 -1.561 69 1HD2 LEU 8 1HD2 LEU 8 -0.145 7.363 -5.041 70 2HD2 LEU 8 3HD2 LEU 8 1.551 6.897 -4.937 71 3HD2 LEU 8 2HD2 LEU 8 0.298 5.659 -5.010 72 H VAL 9 H VAL 9 -0.039 9.166 -5.446 73 HA VAL 9 HA VAL 9 2.651 8.666 -5.616 74 HB VAL 9 HB VAL 9 0.895 10.563 -7.141 75 1HG1 VAL 9 3HG1 VAL 9 3.825 10.695 -7.006 76 2HG1 VAL 9 2HG1 VAL 9 3.244 10.347 -8.639 77 3HG1 VAL 9 1HG1 VAL 9 2.683 11.787 -7.793 78 1HG2 VAL 9 2HG2 VAL 9 2.107 7.866 -7.470 79 2HG2 VAL 9 1HG2 VAL 9 0.522 8.457 -7.971 80 3HG2 VAL 9 3HG2 VAL 9 1.952 8.846 -8.928 81 H GLY 10 H GLY 10 4.528 9.678 -5.200 82 1HA GLY 10 2HA GLY 10 5.956 11.476 -4.714 83 2HA GLY 10 1HA GLY 10 4.551 12.522 -4.605 84 H LYS 11 H LYS 11 3.073 11.234 -2.512 85 HA LYS 11 HA LYS 11 5.019 10.898 -0.305 86 1HB LYS 11 2HB LYS 11 4.214 13.455 -0.877 87 2HB LYS 11 1HB LYS 11 3.036 12.971 0.343 88 1HG LYS 11 2HG LYS 11 4.631 13.505 1.860 89 2HG LYS 11 1HG LYS 11 5.413 11.999 1.373 90 1HD LYS 11 2HD LYS 11 7.049 13.772 1.196 91 2HD LYS 11 1HD LYS 11 6.595 13.290 -0.440 92 1HE LYS 11 2HE LYS 11 5.397 15.235 -0.830 93 2HE LYS 11 1HE LYS 11 5.049 15.490 0.880 94 1HZ LYS 11 2HZ LYS 11 7.508 15.889 1.139 95 2HZ LYS 11 1HZ LYS 11 7.593 15.972 -0.556 96 3HZ LYS 11 3HZ LYS 11 6.646 17.087 0.300 97 H SER 12 H SER 12 3.779 8.774 -0.346 98 HA SER 12 HA SER 12 1.547 9.027 1.543 99 1HB SER 12 2HB SER 12 1.209 8.310 -1.303 100 2HB SER 12 1HB SER 12 0.342 7.296 -0.144 101 HG SER 12 HG SER 12 -0.131 9.594 0.772 102 H VAL 13 H VAL 13 4.016 7.895 2.044 103 HA VAL 13 HA VAL 13 3.896 5.014 1.615 104 HB VAL 13 HB VAL 13 5.568 6.604 3.571 105 1HG1 VAL 13 1HG1 VAL 13 5.284 3.865 3.275 106 2HG1 VAL 13 3HG1 VAL 13 6.693 4.220 2.276 107 3HG1 VAL 13 2HG1 VAL 13 6.686 4.669 3.982 108 1HG2 VAL 13 2HG2 VAL 13 5.505 7.061 0.910 109 2HG2 VAL 13 1HG2 VAL 13 6.983 7.195 1.866 110 3HG2 VAL 13 3HG2 VAL 13 6.657 5.723 0.949 111 H GLU 14 H GLU 14 4.114 6.732 4.749 112 HA GLU 14 HA GLU 14 2.929 4.652 6.266 113 1HB GLU 14 2HB GLU 14 2.436 6.448 7.951 114 2HB GLU 14 1HB GLU 14 4.098 6.498 7.364 115 1HG GLU 14 2HG GLU 14 3.476 8.262 5.751 116 2HG GLU 14 1HG GLU 14 1.818 8.221 6.350 117 H GLU 15 H GLU 15 1.531 7.377 4.522 118 HA GLU 15 HA GLU 15 -1.194 6.926 5.368 119 1HB GLU 15 2HB GLU 15 0.148 8.862 3.882 120 2HB GLU 15 1HB GLU 15 -0.875 8.063 2.687 121 1HG GLU 15 2HG GLU 15 -2.840 8.397 4.147 122 2HG GLU 15 1HG GLU 15 -1.816 9.207 5.334 123 H ALA 16 H ALA 16 0.875 5.678 2.795 124 HA ALA 16 HA ALA 16 -1.169 4.432 1.249 125 1HB ALA 16 2HB ALA 16 1.772 3.997 1.571 126 2HB ALA 16 1HB ALA 16 0.824 2.761 0.746 127 3HB ALA 16 3HB ALA 16 0.858 4.409 0.120 128 H LYS 17 H LYS 17 1.153 2.685 3.322 129 HA LYS 17 HA LYS 17 -0.374 0.331 3.568 130 1HB LYS 17 2HB LYS 17 2.009 1.101 4.561 131 2HB LYS 17 1HB LYS 17 1.034 1.292 6.018 132 1HG LYS 17 2HG LYS 17 1.019 -1.222 4.333 133 2HG LYS 17 1HG LYS 17 2.073 -1.002 5.731 134 1HD LYS 17 2HD LYS 17 0.389 -1.581 7.103 135 2HD LYS 17 1HD LYS 17 -0.581 -0.244 6.485 136 1HE LYS 17 2HE LYS 17 -1.830 -2.257 6.072 137 2HE LYS 17 1HE LYS 17 -1.185 -1.725 4.520 138 1HZ LYS 17 1HZ LYS 17 0.792 -3.247 5.200 139 2HZ LYS 17 3HZ LYS 17 -0.364 -3.988 6.198 140 3HZ LYS 17 2HZ LYS 17 -0.609 -3.922 4.516 141 H LYS 18 H LYS 18 -0.594 3.373 5.280 142 HA LYS 18 HA LYS 18 -2.425 2.651 7.327 143 1HB LYS 18 2HB LYS 18 -1.249 4.742 7.442 144 2HB LYS 18 1HB LYS 18 -1.886 5.249 5.872 145 1HG LYS 18 2HG LYS 18 -4.029 5.644 6.728 146 2HG LYS 18 1HG LYS 18 -3.783 4.580 8.113 147 1HD LYS 18 2HD LYS 18 -1.943 6.898 7.936 148 2HD LYS 18 1HD LYS 18 -3.631 7.286 8.272 149 1HE LYS 18 2HE LYS 18 -3.641 6.124 10.287 150 2HE LYS 18 1HE LYS 18 -2.322 5.060 9.798 151 1HZ LYS 18 1HZ LYS 18 -0.824 6.980 9.911 152 2HZ LYS 18 3HZ LYS 18 -2.099 7.943 10.479 153 3HZ LYS 18 2HZ LYS 18 -1.540 6.637 11.412 154 H VAL 19 H VAL 19 -3.537 5.004 5.006 155 HA VAL 19 HA VAL 19 -6.232 4.354 5.063 156 HB VAL 19 HB VAL 19 -4.889 5.195 2.489 157 1HG1 VAL 19 1HG1 VAL 19 -7.576 5.041 3.472 158 2HG1 VAL 19 3HG1 VAL 19 -7.164 6.741 3.239 159 3HG1 VAL 19 2HG1 VAL 19 -7.018 5.607 1.896 160 1HG2 VAL 19 2HG2 VAL 19 -5.200 6.695 5.087 161 2HG2 VAL 19 1HG2 VAL 19 -3.794 6.612 4.023 162 3HG2 VAL 19 3HG2 VAL 19 -5.207 7.557 3.547 163 H ILE 20 H ILE 20 -3.851 3.037 2.735 164 HA ILE 20 HA ILE 20 -5.580 1.445 1.223 165 HB ILE 20 HB ILE 20 -2.773 0.780 2.157 166 1HG1 ILE 20 2HG1 ILE 20 -3.619 1.781 -0.560 167 2HG1 ILE 20 1HG1 ILE 20 -3.317 2.914 0.761 168 1HG2 ILE 20 1HG2 ILE 20 -4.719 -0.753 0.645 169 2HG2 ILE 20 3HG2 ILE 20 -3.303 -0.393 -0.341 170 3HG2 ILE 20 2HG2 ILE 20 -3.115 -1.231 1.198 171 1HD1 ILE 20 3HD1 ILE 20 -1.119 1.323 0.962 172 2HD1 ILE 20 2HD1 ILE 20 -1.409 1.253 -0.777 173 3HD1 ILE 20 1HD1 ILE 20 -1.164 2.810 0.015 174 H LEU 21 H LEU 21 -3.914 0.483 4.254 175 HA LEU 21 HA LEU 21 -4.686 -2.094 4.638 176 1HB LEU 21 2HB LEU 21 -3.607 -0.467 6.326 177 2HB LEU 21 1HB LEU 21 -5.261 -0.100 6.826 178 HG LEU 21 HG LEU 21 -4.688 -2.981 6.586 179 1HD1 LEU 21 2HD1 LEU 21 -2.699 -1.407 7.789 180 2HD1 LEU 21 1HD1 LEU 21 -3.651 -2.040 9.132 181 3HD1 LEU 21 3HD1 LEU 21 -2.916 -3.146 7.972 182 1HD2 LEU 21 1HD2 LEU 21 -6.214 -1.074 8.266 183 2HD2 LEU 21 3HD2 LEU 21 -6.672 -2.673 7.682 184 3HD2 LEU 21 2HD2 LEU 21 -5.632 -2.518 9.098 185 H GLN 22 H GLN 22 -6.995 0.586 4.594 186 HA GLN 22 HA GLN 22 -9.065 -1.532 4.716 187 1HB GLN 22 2HB GLN 22 -8.592 0.237 6.809 188 2HB GLN 22 1HB GLN 22 -10.000 0.907 5.982 189 1HG GLN 22 2HG GLN 22 -11.131 -1.275 6.081 190 2HG GLN 22 1HG GLN 22 -9.721 -1.994 6.861 191 1HE2 GLN 22 2HE2 GLN 22 -10.357 0.285 9.802 192 2HE2 GLN 22 1HE2 GLN 22 -9.102 0.174 8.664 193 H ASP 23 H ASP 23 -7.865 0.877 2.810 194 HA ASP 23 HA ASP 23 -10.195 2.302 2.010 195 1HB ASP 23 2HB ASP 23 -7.740 1.398 0.476 196 2HB ASP 23 1HB ASP 23 -9.046 2.285 -0.316 197 H LYS 24 H LYS 24 -11.886 1.650 0.480 198 HA LYS 24 HA LYS 24 -13.282 0.022 -0.539 199 1HB LYS 24 2HB LYS 24 -10.943 -1.903 -0.347 200 2HB LYS 24 1HB LYS 24 -12.271 -1.918 -1.504 201 1HG LYS 24 2HG LYS 24 -11.387 0.368 -2.286 202 2HG LYS 24 1HG LYS 24 -9.920 -0.037 -1.390 203 1HD LYS 24 2HD LYS 24 -9.802 -0.718 -3.795 204 2HD LYS 24 1HD LYS 24 -9.638 -2.079 -2.687 205 1HE LYS 24 2HE LYS 24 -11.810 -2.861 -3.115 206 2HE LYS 24 1HE LYS 24 -12.348 -1.305 -3.744 207 1HZ LYS 24 3HZ LYS 24 -10.175 -2.246 -5.272 208 2HZ LYS 24 2HZ LYS 24 -11.357 -3.463 -5.180 209 3HZ LYS 24 1HZ LYS 24 -11.763 -1.924 -5.773 210 HA PRO 25 HA PRO 25 -14.315 -2.520 3.015 211 1HB PRO 25 2HB PRO 25 -13.737 -5.205 2.802 212 2HB PRO 25 1HB PRO 25 -15.109 -4.428 1.988 213 1HG PRO 25 2HG PRO 25 -12.520 -5.353 0.836 214 2HG PRO 25 1HG PRO 25 -14.102 -5.190 0.056 215 1HD PRO 25 2HD PRO 25 -11.949 -3.399 -0.197 216 2HD PRO 25 1HD PRO 25 -13.628 -3.060 -0.663 217 H GLU 26 H GLU 26 -11.372 -4.395 2.199 218 HA GLU 26 HA GLU 26 -9.791 -3.102 4.285 219 1HB GLU 26 2HB GLU 26 -10.323 -6.057 4.654 220 2HB GLU 26 1HB GLU 26 -9.478 -4.953 5.740 221 1HG GLU 26 2HG GLU 26 -11.591 -3.720 6.120 222 2HG GLU 26 1HG GLU 26 -12.434 -4.858 5.068 223 H ALA 27 H ALA 27 -8.998 -2.927 1.901 224 HA ALA 27 HA ALA 27 -7.515 -5.300 1.020 225 1HB ALA 27 2HB ALA 27 -8.180 -2.622 -0.112 226 2HB ALA 27 1HB ALA 27 -6.729 -3.424 -0.715 227 3HB ALA 27 3HB ALA 27 -8.301 -4.215 -0.866 228 H GLN 28 H GLN 28 -5.532 -5.673 1.883 229 HA GLN 28 HA GLN 28 -4.072 -3.485 3.198 230 1HB GLN 28 2HB GLN 28 -4.253 -6.292 3.537 231 2HB GLN 28 1HB GLN 28 -2.586 -5.947 3.067 232 1HG GLN 28 2HG GLN 28 -2.135 -4.921 5.037 233 2HG GLN 28 1HG GLN 28 -3.649 -4.018 5.001 234 1HE2 GLN 28 2HE2 GLN 28 -5.310 -6.228 7.192 235 2HE2 GLN 28 1HE2 GLN 28 -5.376 -4.789 6.294 236 H ILE 29 H ILE 29 -1.553 -3.598 2.773 237 HA ILE 29 HA ILE 29 -1.002 -4.045 -0.108 238 HB ILE 29 HB ILE 29 -1.686 -1.696 0.051 239 1HG1 ILE 29 2HG1 ILE 29 1.280 -1.469 -0.102 240 2HG1 ILE 29 1HG1 ILE 29 0.516 -2.637 -1.179 241 1HG2 ILE 29 2HG2 ILE 29 -0.408 -1.852 2.563 242 2HG2 ILE 29 1HG2 ILE 29 0.551 -0.720 1.611 243 3HG2 ILE 29 3HG2 ILE 29 -1.173 -0.432 1.850 244 1HD1 ILE 29 2HD1 ILE 29 -1.153 -0.564 -1.565 245 2HD1 ILE 29 1HD1 ILE 29 0.305 0.335 -1.147 246 3HD1 ILE 29 3HD1 ILE 29 0.316 -0.775 -2.518 247 H ILE 30 H ILE 30 1.175 -4.437 -0.560 248 HA ILE 30 HA ILE 30 2.892 -4.976 1.818 249 HB ILE 30 HB ILE 30 2.677 -6.114 -0.946 250 1HG1 ILE 30 2HG1 ILE 30 3.074 -7.273 1.829 251 2HG1 ILE 30 1HG1 ILE 30 1.574 -7.266 0.902 252 1HG2 ILE 30 1HG2 ILE 30 5.201 -5.620 0.486 253 2HG2 ILE 30 3HG2 ILE 30 4.970 -7.297 -0.016 254 3HG2 ILE 30 2HG2 ILE 30 4.923 -6.003 -1.216 255 1HD1 ILE 30 3HD1 ILE 30 2.877 -8.553 -0.902 256 2HD1 ILE 30 2HD1 ILE 30 4.110 -8.805 0.334 257 3HD1 ILE 30 1HD1 ILE 30 2.481 -9.437 0.571 258 H VAL 31 H VAL 31 4.711 -3.714 2.117 259 HA VAL 31 HA VAL 31 5.316 -1.792 -0.069 260 HB VAL 31 HB VAL 31 6.403 -1.577 2.732 261 1HG1 VAL 31 3HG1 VAL 31 6.442 -0.008 0.320 262 2HG1 VAL 31 2HG1 VAL 31 5.615 0.893 1.590 263 3HG1 VAL 31 1HG1 VAL 31 7.257 0.307 1.851 264 1HG2 VAL 31 1HG2 VAL 31 3.657 -0.795 1.721 265 2HG2 VAL 31 3HG2 VAL 31 4.039 -1.838 3.092 266 3HG2 VAL 31 2HG2 VAL 31 4.377 -0.110 3.177 267 H LEU 32 H LEU 32 7.132 -2.068 -1.215 268 HA LEU 32 HA LEU 32 9.441 -3.519 -0.015 269 1HB LEU 32 2HB LEU 32 9.651 -4.897 -2.015 270 2HB LEU 32 1HB LEU 32 8.023 -5.085 -1.379 271 HG LEU 32 HG LEU 32 8.101 -2.847 -3.182 272 1HD1 LEU 32 2HD1 LEU 32 10.005 -4.671 -3.919 273 2HD1 LEU 32 1HD1 LEU 32 8.587 -5.305 -4.753 274 3HD1 LEU 32 3HD1 LEU 32 9.123 -3.652 -5.053 275 1HD2 LEU 32 3HD2 LEU 32 6.207 -4.446 -2.385 276 2HD2 LEU 32 2HD2 LEU 32 6.187 -3.918 -4.067 277 3HD2 LEU 32 1HD2 LEU 32 6.788 -5.524 -3.654 278 HA PRO 33 HA PRO 33 11.794 -0.421 -2.014 279 1HB PRO 33 2HB PRO 33 14.084 -1.784 -2.625 280 2HB PRO 33 1HB PRO 33 13.626 -1.338 -0.971 281 1HG PRO 33 2HG PRO 33 13.510 -4.010 -2.301 282 2HG PRO 33 1HG PRO 33 13.745 -3.615 -0.585 283 1HD PRO 33 2HD PRO 33 11.332 -4.469 -1.755 284 2HD PRO 33 1HD PRO 33 11.491 -3.719 -0.155 285 H VAL 34 H VAL 34 10.149 -2.421 -3.861 286 HA VAL 34 HA VAL 34 9.728 -2.326 -6.193 287 HB VAL 34 HB VAL 34 12.408 -0.986 -6.576 288 1HG1 VAL 34 1HG1 VAL 34 9.766 -0.973 -8.049 289 2HG1 VAL 34 3HG1 VAL 34 11.119 0.086 -8.450 290 3HG1 VAL 34 2HG1 VAL 34 11.293 -1.662 -8.600 291 1HG2 VAL 34 3HG2 VAL 34 10.128 0.002 -5.077 292 2HG2 VAL 34 2HG2 VAL 34 11.706 0.748 -5.322 293 3HG2 VAL 34 1HG2 VAL 34 10.421 0.998 -6.502 294 H GLY 35 H GLY 35 13.276 -2.500 -5.979 295 1HA GLY 35 2HA GLY 35 13.712 -4.558 -7.795 296 2HA GLY 35 1HA GLY 35 14.755 -4.253 -6.405 297 H THR 36 H THR 36 13.724 -5.096 -4.264 298 HA THR 36 HA THR 36 13.826 -7.773 -4.014 299 HB THR 36 HB THR 36 11.765 -6.027 -2.652 300 HG1 THR 36 HG1 THR 36 14.448 -6.737 -2.135 301 1HG2 THR 36 2HG2 THR 36 12.871 -8.744 -1.899 302 2HG2 THR 36 1HG2 THR 36 11.817 -7.760 -0.884 303 3HG2 THR 36 3HG2 THR 36 11.219 -8.406 -2.413 304 H ILE 37 H ILE 37 12.899 -9.457 -5.008 305 HA ILE 37 HA ILE 37 10.010 -9.274 -5.760 306 HB ILE 37 HB ILE 37 12.068 -10.806 -7.361 307 1HG1 ILE 37 2HG1 ILE 37 11.198 -7.922 -7.565 308 2HG1 ILE 37 1HG1 ILE 37 12.830 -8.585 -7.622 309 1HG2 ILE 37 3HG2 ILE 37 9.262 -9.803 -7.944 310 2HG2 ILE 37 2HG2 ILE 37 10.286 -10.673 -9.088 311 3HG2 ILE 37 1HG2 ILE 37 9.721 -11.475 -7.623 312 1HD1 ILE 37 1HD1 ILE 37 11.557 -9.845 -9.745 313 2HD1 ILE 37 3HD1 ILE 37 10.911 -8.205 -9.795 314 3HD1 ILE 37 2HD1 ILE 37 12.653 -8.470 -9.870 315 H VAL 38 H VAL 38 11.849 -10.534 -3.566 316 HA VAL 38 HA VAL 38 11.777 -13.355 -3.782 317 HB VAL 38 HB VAL 38 11.989 -13.379 -1.348 318 1HG1 VAL 38 1HG1 VAL 38 13.424 -11.127 -2.773 319 2HG1 VAL 38 3HG1 VAL 38 13.837 -11.631 -1.134 320 3HG1 VAL 38 2HG1 VAL 38 14.009 -12.763 -2.474 321 1HG2 VAL 38 2HG2 VAL 38 10.375 -11.033 -1.569 322 2HG2 VAL 38 1HG2 VAL 38 10.889 -11.859 -0.100 323 3HG2 VAL 38 3HG2 VAL 38 11.883 -10.572 -0.782 324 H THR 39 H THR 39 10.334 -14.552 -1.912 325 HA THR 39 HA THR 39 7.691 -14.664 -2.963 326 HB THR 39 HB THR 39 7.189 -16.102 -1.043 327 HG1 THR 39 HG1 THR 39 8.961 -16.313 0.518 328 1HG2 THR 39 2HG2 THR 39 9.524 -16.386 -2.748 329 2HG2 THR 39 1HG2 THR 39 9.743 -17.241 -1.221 330 3HG2 THR 39 3HG2 THR 39 8.355 -17.607 -2.246 331 1H GLU 41 2H GLU 41 -12.551 -9.053 -10.232 332 2H GLU 41 1H GLU 41 -11.051 -9.404 -10.946 333 3H GLU 41 3H GLU 41 -12.456 -10.165 -11.514 334 HA GLU 41 HA GLU 41 -12.197 -11.813 -10.087 335 1HB GLU 41 2HB GLU 41 -9.791 -10.151 -9.318 336 2HB GLU 41 1HB GLU 41 -10.108 -11.736 -8.608 337 1HG GLU 41 2HG GLU 41 -9.317 -12.776 -10.436 338 2HG GLU 41 1HG GLU 41 -10.406 -11.860 -11.479 339 H TYR 42 H TYR 42 -10.764 -10.581 -7.331 340 HA TYR 42 HA TYR 42 -13.407 -9.851 -6.166 341 1HB TYR 42 2HB TYR 42 -12.828 -11.094 -4.147 342 2HB TYR 42 1HB TYR 42 -12.725 -12.167 -5.543 343 HD1 TYR 42 HD1 TYR 42 -10.358 -12.293 -6.710 344 HD2 TYR 42 HD2 TYR 42 -11.019 -10.978 -2.675 345 HE1 TYR 42 HE1 TYR 42 -7.995 -12.782 -6.163 346 HE2 TYR 42 HE2 TYR 42 -8.657 -11.465 -2.129 347 HH TYR 42 HH TYR 42 -6.835 -12.870 -2.949 348 H ARG 43 H ARG 43 -11.925 -9.581 -3.527 349 HA ARG 43 HA ARG 43 -10.628 -6.958 -4.157 350 1HB ARG 43 2HB ARG 43 -11.388 -6.179 -1.992 351 2HB ARG 43 1HB ARG 43 -12.771 -6.861 -2.848 352 1HG ARG 43 2HG ARG 43 -11.968 -9.089 -1.615 353 2HG ARG 43 1HG ARG 43 -11.299 -7.923 -0.470 354 1HD ARG 43 2HD ARG 43 -13.345 -7.467 0.361 355 2HD ARG 43 1HD ARG 43 -13.991 -7.170 -1.252 356 HE ARG 43 HE ARG 43 -13.674 -9.994 -0.404 357 1HH1 ARG 43 1HH2 ARG 43 -15.315 -9.911 -2.645 358 2HH1 ARG 43 2HH2 ARG 43 -16.925 -9.646 -2.066 359 1HH2 ARG 43 2HH1 ARG 43 -15.904 -8.503 1.044 360 2HH2 ARG 43 1HH1 ARG 43 -17.258 -8.853 0.024 361 H ILE 44 H ILE 44 -8.680 -8.608 -4.426 362 HA ILE 44 HA ILE 44 -7.514 -9.971 -2.284 363 HB ILE 44 HB ILE 44 -6.450 -9.906 -4.515 364 1HG1 ILE 44 2HG1 ILE 44 -4.162 -8.821 -3.187 365 2HG1 ILE 44 1HG1 ILE 44 -5.154 -9.618 -1.961 366 1HG2 ILE 44 2HG2 ILE 44 -6.902 -7.483 -4.937 367 2HG2 ILE 44 1HG2 ILE 44 -5.667 -7.074 -3.746 368 3HG2 ILE 44 3HG2 ILE 44 -5.217 -7.916 -5.230 369 1HD1 ILE 44 2HD1 ILE 44 -4.938 -11.150 -4.462 370 2HD1 ILE 44 1HD1 ILE 44 -3.388 -10.904 -3.656 371 3HD1 ILE 44 3HD1 ILE 44 -4.717 -11.681 -2.794 372 H ASP 45 H ASP 45 -6.244 -9.317 -0.491 373 HA ASP 45 HA ASP 45 -6.537 -6.430 0.129 374 1HB ASP 45 2HB ASP 45 -6.767 -6.990 2.377 375 2HB ASP 45 1HB ASP 45 -7.490 -8.394 1.589 376 H ARG 46 H ARG 46 -4.476 -7.123 -1.598 377 HA ARG 46 HA ARG 46 -2.168 -6.253 0.010 378 1HB ARG 46 2HB ARG 46 -1.721 -8.556 0.191 379 2HB ARG 46 1HB ARG 46 -2.362 -8.903 -1.411 380 1HG ARG 46 2HG ARG 46 -0.391 -7.537 -2.332 381 2HG ARG 46 1HG ARG 46 0.283 -7.625 -0.704 382 1HD ARG 46 2HD ARG 46 1.200 -9.570 -1.481 383 2HD ARG 46 1HD ARG 46 -0.393 -10.223 -1.087 384 HE ARG 46 HE ARG 46 -0.991 -9.831 -3.507 385 1HH1 ARG 46 1HH2 ARG 46 0.396 -8.908 -5.371 386 2HH1 ARG 46 2HH2 ARG 46 1.835 -9.830 -5.657 387 1HH2 ARG 46 2HH1 ARG 46 1.682 -11.503 -2.623 388 2HH2 ARG 46 1HH1 ARG 46 2.561 -11.299 -4.101 389 H VAL 47 H VAL 47 -0.470 -5.350 -1.337 390 HA VAL 47 HA VAL 47 -1.006 -5.119 -4.232 391 HB VAL 47 HB VAL 47 -0.762 -2.633 -2.519 392 1HG1 VAL 47 2HG1 VAL 47 -1.206 -3.227 -5.435 393 2HG1 VAL 47 1HG1 VAL 47 -1.794 -1.718 -4.735 394 3HG1 VAL 47 3HG1 VAL 47 -0.071 -2.097 -4.697 395 1HG2 VAL 47 2HG2 VAL 47 -3.202 -3.993 -3.687 396 2HG2 VAL 47 1HG2 VAL 47 -2.867 -3.713 -1.979 397 3HG2 VAL 47 3HG2 VAL 47 -3.199 -2.350 -3.047 398 H ARG 48 H ARG 48 0.851 -3.674 -5.223 399 HA ARG 48 HA ARG 48 3.359 -4.550 -3.886 400 1HB ARG 48 2HB ARG 48 2.608 -3.925 -6.720 401 2HB ARG 48 1HB ARG 48 4.296 -3.773 -6.223 402 1HG ARG 48 2HG ARG 48 2.597 -6.253 -5.791 403 2HG ARG 48 1HG ARG 48 3.740 -6.050 -7.120 404 1HD ARG 48 2HD ARG 48 5.543 -5.649 -5.415 405 2HD ARG 48 1HD ARG 48 4.382 -6.067 -4.154 406 HE ARG 48 HE ARG 48 4.720 -8.076 -6.280 407 1HH1 ARG 48 2HH1 ARG 48 4.136 -7.776 -3.080 408 2HH1 ARG 48 1HH1 ARG 48 5.329 -8.906 -2.532 409 1HH2 ARG 48 1HH2 ARG 48 6.880 -9.170 -5.622 410 2HH2 ARG 48 2HH2 ARG 48 6.883 -9.696 -3.972 411 H LEU 49 H LEU 49 2.765 -2.569 -2.402 412 HA LEU 49 HA LEU 49 3.080 0.079 -3.413 413 1HB LEU 49 2HB LEU 49 2.198 -0.112 -1.210 414 2HB LEU 49 1HB LEU 49 3.553 -1.108 -0.674 415 HG LEU 49 HG LEU 49 5.060 0.725 -0.699 416 1HD1 LEU 49 1HD1 LEU 49 2.926 2.159 -2.306 417 2HD1 LEU 49 3HD1 LEU 49 4.323 2.981 -1.612 418 3HD1 LEU 49 2HD1 LEU 49 4.556 1.730 -2.836 419 1HD2 LEU 49 1HD2 LEU 49 2.331 1.437 0.359 420 2HD2 LEU 49 3HD2 LEU 49 3.787 0.998 1.254 421 3HD2 LEU 49 2HD2 LEU 49 3.661 2.586 0.497 422 H PHE 50 H PHE 50 4.833 0.053 -4.858 423 HA PHE 50 HA PHE 50 7.512 -0.763 -3.999 424 1HB PHE 50 2HB PHE 50 6.290 0.565 -6.410 425 2HB PHE 50 1HB PHE 50 8.045 0.553 -6.212 426 HD1 PHE 50 HD1 PHE 50 7.032 -2.362 -4.628 427 HD2 PHE 50 HD2 PHE 50 7.305 -0.671 -8.567 428 HE1 PHE 50 HE1 PHE 50 7.081 -4.635 -5.612 429 HE2 PHE 50 HE2 PHE 50 7.352 -2.944 -9.540 430 HZ PHE 50 HZ PHE 50 7.240 -4.928 -8.062 431 H VAL 51 H VAL 51 9.047 0.642 -3.103 432 HA VAL 51 HA VAL 51 8.172 3.472 -2.728 433 HB VAL 51 HB VAL 51 10.241 3.333 -1.049 434 1HG1 VAL 51 1HG1 VAL 51 7.432 2.294 -0.641 435 2HG1 VAL 51 3HG1 VAL 51 8.565 2.488 0.697 436 3HG1 VAL 51 2HG1 VAL 51 8.070 3.891 -0.250 437 1HG2 VAL 51 1HG2 VAL 51 10.466 0.844 -1.955 438 2HG2 VAL 51 3HG2 VAL 51 10.780 1.222 -0.264 439 3HG2 VAL 51 2HG2 VAL 51 9.227 0.533 -0.740 440 H ASP 52 H ASP 52 10.462 4.825 -2.364 441 HA ASP 52 HA ASP 52 12.099 4.197 -4.778 442 1HB ASP 52 2HB ASP 52 11.755 6.258 -5.682 443 2HB ASP 52 1HB ASP 52 10.341 6.299 -4.637 444 H LYS 53 H LYS 53 13.911 6.296 -4.461 445 HA LYS 53 HA LYS 53 15.919 5.304 -2.851 446 1HB LYS 53 2HB LYS 53 15.358 8.233 -3.264 447 2HB LYS 53 1HB LYS 53 16.937 7.463 -3.103 448 1HG LYS 53 2HG LYS 53 16.242 6.124 -5.221 449 2HG LYS 53 1HG LYS 53 15.000 7.365 -5.418 450 1HD LYS 53 2HD LYS 53 16.693 8.378 -6.609 451 2HD LYS 53 1HD LYS 53 17.108 8.974 -5.002 452 1HE LYS 53 2HE LYS 53 18.699 7.118 -4.711 453 2HE LYS 53 1HE LYS 53 18.274 6.494 -6.305 454 1HZ LYS 53 2HZ LYS 53 18.880 9.131 -6.722 455 2HZ LYS 53 1HZ LYS 53 20.053 8.609 -5.610 456 3HZ LYS 53 3HZ LYS 53 19.871 7.799 -7.088 457 H LEU 54 H LEU 54 13.952 8.159 -1.934 458 HA LEU 54 HA LEU 54 14.554 7.581 0.911 459 1HB LEU 54 2HB LEU 54 14.776 9.910 -0.173 460 2HB LEU 54 1HB LEU 54 13.013 9.956 -0.133 461 HG LEU 54 HG LEU 54 13.911 9.042 2.415 462 1HD1 LEU 54 3HD1 LEU 54 16.062 10.178 1.670 463 2HD1 LEU 54 2HD1 LEU 54 15.155 11.690 1.636 464 3HD1 LEU 54 1HD1 LEU 54 15.351 10.812 3.154 465 1HD2 LEU 54 3HD2 LEU 54 11.971 10.681 1.365 466 2HD2 LEU 54 2HD2 LEU 54 12.319 10.524 3.087 467 3HD2 LEU 54 1HD2 LEU 54 13.031 11.846 2.161 468 H ASP 55 H ASP 55 12.902 5.667 -0.002 469 HA ASP 55 HA ASP 55 10.734 4.744 0.134 470 1HB ASP 55 2HB ASP 55 9.662 5.730 2.440 471 2HB ASP 55 1HB ASP 55 10.856 4.430 2.384 472 H ASN 56 H ASN 56 10.477 6.567 -1.702 473 HA ASN 56 HA ASN 56 8.124 8.241 -0.920 474 1HB ASN 56 2HB ASN 56 9.940 9.668 -1.641 475 2HB ASN 56 1HB ASN 56 10.239 8.656 -3.052 476 1HD2 ASN 56 2HD2 ASN 56 7.301 9.893 -4.795 477 2HD2 ASN 56 1HD2 ASN 56 8.179 8.460 -4.565 478 H ILE 57 H ILE 57 6.252 7.483 -1.743 479 HA ILE 57 HA ILE 57 6.118 5.231 -3.458 480 HB ILE 57 HB ILE 57 3.999 7.341 -2.978 481 1HG1 ILE 57 2HG1 ILE 57 4.894 4.876 -1.480 482 2HG1 ILE 57 1HG1 ILE 57 4.570 6.489 -0.846 483 1HG2 ILE 57 1HG2 ILE 57 3.629 5.838 -4.947 484 2HG2 ILE 57 3HG2 ILE 57 3.756 4.450 -3.868 485 3HG2 ILE 57 2HG2 ILE 57 2.439 5.603 -3.671 486 1HD1 ILE 57 1HD1 ILE 57 2.448 4.673 -2.018 487 2HD1 ILE 57 3HD1 ILE 57 2.785 4.808 -0.296 488 3HD1 ILE 57 2HD1 ILE 57 2.186 6.207 -1.187 489 H ALA 58 H ALA 58 7.437 5.653 -5.261 490 HA ALA 58 HA ALA 58 6.694 7.862 -7.078 491 1HB ALA 58 3HB ALA 58 9.044 6.298 -6.612 492 2HB ALA 58 2HB ALA 58 8.534 6.021 -8.277 493 3HB ALA 58 1HB ALA 58 8.852 7.663 -7.714 494 H GLN 59 H GLN 59 6.290 4.427 -6.658 495 HA GLN 59 HA GLN 59 4.865 4.234 -9.277 496 1HB GLN 59 2HB GLN 59 6.750 2.558 -8.424 497 2HB GLN 59 1HB GLN 59 5.402 1.856 -7.528 498 1HG GLN 59 2HG GLN 59 4.202 2.098 -9.909 499 2HG GLN 59 1HG GLN 59 5.869 1.970 -10.472 500 1HE2 GLN 59 2HE2 GLN 59 5.393 -1.542 -10.280 501 2HE2 GLN 59 1HE2 GLN 59 5.629 -0.209 -11.304 502 H VAL 60 H VAL 60 2.633 3.998 -9.216 503 HA VAL 60 HA VAL 60 1.387 4.138 -6.558 504 HB VAL 60 HB VAL 60 0.108 4.186 -9.298 505 1HG1 VAL 60 3HG1 VAL 60 -1.081 3.646 -6.896 506 2HG1 VAL 60 2HG1 VAL 60 -1.204 5.407 -6.947 507 3HG1 VAL 60 1HG1 VAL 60 -1.900 4.436 -8.247 508 1HG2 VAL 60 2HG2 VAL 60 1.733 6.105 -8.035 509 2HG2 VAL 60 1HG2 VAL 60 0.658 6.375 -9.408 510 3HG2 VAL 60 3HG2 VAL 60 0.078 6.655 -7.766 511 HA PRO 61 HA PRO 61 0.441 -0.219 -6.666 512 1HB PRO 61 2HB PRO 61 -0.737 -0.255 -4.189 513 2HB PRO 61 1HB PRO 61 1.019 -0.249 -4.423 514 1HG PRO 61 2HG PRO 61 -0.756 1.950 -3.494 515 2HG PRO 61 1HG PRO 61 0.977 1.717 -3.216 516 1HD PRO 61 2HD PRO 61 -0.216 3.485 -5.109 517 2HD PRO 61 1HD PRO 61 1.509 3.080 -4.975 518 H ARG 62 H ARG 62 -1.627 -1.487 -6.643 519 HA ARG 62 HA ARG 62 -4.112 0.097 -6.493 520 1HB ARG 62 2HB ARG 62 -2.850 -0.400 -8.977 521 2HB ARG 62 1HB ARG 62 -4.256 -1.463 -8.900 522 1HG ARG 62 2HG ARG 62 -5.263 0.463 -9.699 523 2HG ARG 62 1HG ARG 62 -5.428 0.729 -7.963 524 1HD ARG 62 2HD ARG 62 -3.814 2.375 -7.918 525 2HD ARG 62 1HD ARG 62 -2.896 1.650 -9.242 526 HE ARG 62 HE ARG 62 -5.402 3.235 -9.633 527 1HH1 ARG 62 1HH2 ARG 62 -5.598 2.729 -12.079 528 2HH1 ARG 62 2HH2 ARG 62 -4.201 3.221 -12.974 529 1HH2 ARG 62 2HH1 ARG 62 -2.191 3.541 -10.165 530 2HH2 ARG 62 1HH1 ARG 62 -2.269 3.681 -11.890 531 H VAL 63 H VAL 63 -5.898 -1.160 -6.001 532 HA VAL 63 HA VAL 63 -5.350 -4.065 -5.559 533 HB VAL 63 HB VAL 63 -6.628 -1.955 -3.949 534 1HG1 VAL 63 3HG1 VAL 63 -7.956 -4.672 -4.156 535 2HG1 VAL 63 2HG1 VAL 63 -8.276 -3.490 -2.887 536 3HG1 VAL 63 1HG1 VAL 63 -8.686 -3.121 -4.563 537 1HG2 VAL 63 3HG2 VAL 63 -5.006 -4.396 -3.627 538 2HG2 VAL 63 2HG2 VAL 63 -4.986 -2.905 -2.689 539 3HG2 VAL 63 1HG2 VAL 63 -6.182 -4.147 -2.340 540 H GLY 64 H GLY 64 -6.915 -5.556 -6.290 541 1HA GLY 64 2HA GLY 64 -9.515 -5.176 -7.115 542 2HA GLY 64 1HA GLY 64 -8.574 -4.634 -8.505 No H/Q in entry = 542 Start of MODEL 4 Raw file had 552 H/Q atoms Start of MODEL 4 1 1H MET 1 3H MET 1 -14.339 4.717 -1.954 2 2H MET 1 2H MET 1 -15.896 4.032 -1.956 3 3H MET 1 1H MET 1 -14.576 3.145 -1.362 4 HA MET 1 HA MET 1 -14.792 2.218 -3.430 5 1HB MET 1 2HB MET 1 -16.001 4.848 -4.001 6 2HB MET 1 1HB MET 1 -15.087 4.165 -5.346 7 1HG MET 1 2HG MET 1 -16.361 2.035 -5.082 8 2HG MET 1 1HG MET 1 -17.328 2.802 -3.825 9 1HE MET 1 1HE MET 1 -17.996 5.279 -4.202 10 2HE MET 1 3HE MET 1 -19.100 5.673 -5.527 11 3HE MET 1 2HE MET 1 -19.495 4.376 -4.402 12 H LYS 2 H LYS 2 -12.510 3.316 -2.018 13 HA LYS 2 HA LYS 2 -10.827 4.547 -4.110 14 1HB LYS 2 2HB LYS 2 -10.606 5.378 -1.812 15 2HB LYS 2 1HB LYS 2 -10.199 3.754 -1.250 16 1HG LYS 2 2HG LYS 2 -8.044 4.336 -1.616 17 2HG LYS 2 1HG LYS 2 -8.416 4.146 -3.329 18 1HD LYS 2 2HD LYS 2 -7.374 6.352 -2.821 19 2HD LYS 2 1HD LYS 2 -8.992 6.513 -3.505 20 1HE LYS 2 2HE LYS 2 -9.540 7.753 -1.705 21 2HE LYS 2 1HE LYS 2 -9.388 6.291 -0.731 22 1HZ LYS 2 2HZ LYS 2 -6.862 6.914 -0.874 23 2HZ LYS 2 1HZ LYS 2 -7.481 8.477 -1.118 24 3HZ LYS 2 3HZ LYS 2 -7.873 7.622 0.293 25 H THR 3 H THR 3 -10.814 2.657 -5.568 26 HA THR 3 HA THR 3 -9.458 0.229 -4.545 27 HB THR 3 HB THR 3 -9.708 -0.432 -7.046 28 HG1 THR 3 HG1 THR 3 -10.620 0.979 -8.287 29 1HG2 THR 3 3HG2 THR 3 -12.095 0.110 -5.263 30 2HG2 THR 3 2HG2 THR 3 -12.156 -0.895 -6.711 31 3HG2 THR 3 1HG2 THR 3 -11.148 -1.375 -5.347 32 H GLU 4 H GLU 4 -8.701 3.214 -6.052 33 HA GLU 4 HA GLU 4 -6.017 2.176 -6.884 34 1HB GLU 4 2HB GLU 4 -6.934 4.912 -7.666 35 2HB GLU 4 1HB GLU 4 -5.956 3.754 -8.571 36 1HG GLU 4 2HG GLU 4 -7.962 2.361 -8.964 37 2HG GLU 4 1HG GLU 4 -8.941 3.528 -8.076 38 H TRP 5 H TRP 5 -4.391 4.162 -6.754 39 HA TRP 5 HA TRP 5 -4.870 5.834 -4.388 40 1HB TRP 5 2HB TRP 5 -2.706 3.721 -4.494 41 2HB TRP 5 1HB TRP 5 -2.678 5.082 -3.361 42 HD1 TRP 5 HD1 TRP 5 -4.842 5.275 -1.684 43 HE1 TRP 5 HE1 TRP 5 -6.256 3.406 -0.611 44 HE3 TRP 5 HE3 TRP 5 -3.620 1.365 -4.741 45 HZ2 TRP 5 HZ2 TRP 5 -6.796 0.627 -0.996 46 HZ3 TRP 5 HZ3 TRP 5 -4.595 -0.879 -4.362 47 HH2 TRP 5 HH2 TRP 5 -6.180 -1.250 -2.494 48 HA PRO 6 HA PRO 6 -1.995 7.401 -7.774 49 1HB PRO 6 2HB PRO 6 -3.774 9.097 -9.027 50 2HB PRO 6 1HB PRO 6 -3.462 7.438 -9.570 51 1HG PRO 6 2HG PRO 6 -5.806 8.510 -8.046 52 2HG PRO 6 1HG PRO 6 -5.736 7.167 -9.201 53 1HD PRO 6 2HD PRO 6 -5.822 6.858 -6.426 54 2HD PRO 6 1HD PRO 6 -5.238 5.632 -7.570 55 H GLU 7 H GLU 7 -4.453 8.585 -5.682 56 HA GLU 7 HA GLU 7 -3.463 11.304 -5.404 57 1HB GLU 7 2HB GLU 7 -5.691 9.905 -4.484 58 2HB GLU 7 1HB GLU 7 -4.737 10.175 -3.023 59 1HG GLU 7 2HG GLU 7 -4.631 12.575 -3.499 60 2HG GLU 7 1HG GLU 7 -5.510 12.334 -5.009 61 H LEU 8 H LEU 8 -2.523 8.187 -4.263 62 HA LEU 8 HA LEU 8 -0.998 9.201 -1.984 63 1HB LEU 8 2HB LEU 8 -0.926 6.469 -3.287 64 2HB LEU 8 1HB LEU 8 -0.267 6.889 -1.707 65 HG LEU 8 HG LEU 8 -3.156 6.713 -2.553 66 1HD1 LEU 8 1HD1 LEU 8 -1.503 5.624 -0.261 67 2HD1 LEU 8 3HD1 LEU 8 -3.247 5.410 -0.405 68 3HD1 LEU 8 2HD1 LEU 8 -2.168 4.705 -1.610 69 1HD2 LEU 8 1HD2 LEU 8 -2.015 8.158 -0.135 70 2HD2 LEU 8 3HD2 LEU 8 -2.940 8.889 -1.447 71 3HD2 LEU 8 2HD2 LEU 8 -3.719 7.754 -0.344 72 H VAL 9 H VAL 9 -0.543 9.243 -5.282 73 HA VAL 9 HA VAL 9 2.124 8.414 -5.638 74 HB VAL 9 HB VAL 9 0.509 10.597 -6.959 75 1HG1 VAL 9 1HG1 VAL 9 2.999 11.167 -6.928 76 2HG1 VAL 9 3HG1 VAL 9 3.265 9.670 -7.831 77 3HG1 VAL 9 2HG1 VAL 9 2.298 10.964 -8.538 78 1HG2 VAL 9 1HG2 VAL 9 -0.051 8.215 -7.403 79 2HG2 VAL 9 3HG2 VAL 9 0.556 9.027 -8.846 80 3HG2 VAL 9 2HG2 VAL 9 1.607 7.942 -7.938 81 H GLY 10 H GLY 10 4.104 9.482 -5.471 82 1HA GLY 10 2HA GLY 10 5.663 10.947 -4.541 83 2HA GLY 10 1HA GLY 10 4.429 12.190 -4.729 84 H LYS 11 H LYS 11 3.281 9.604 -2.849 85 HA LYS 11 HA LYS 11 3.599 11.269 -0.410 86 1HB LYS 11 2HB LYS 11 1.411 9.976 -1.393 87 2HB LYS 11 1HB LYS 11 2.028 8.761 -0.275 88 1HG LYS 11 2HG LYS 11 0.547 10.139 1.003 89 2HG LYS 11 1HG LYS 11 2.180 10.628 1.461 90 1HD LYS 11 2HD LYS 11 2.086 12.548 -0.007 91 2HD LYS 11 1HD LYS 11 0.548 12.013 -0.683 92 1HE LYS 11 2HE LYS 11 -0.330 13.432 0.875 93 2HE LYS 11 1HE LYS 11 -0.081 12.062 1.958 94 1HZ LYS 11 2HZ LYS 11 2.297 13.107 2.126 95 2HZ LYS 11 1HZ LYS 11 1.476 14.528 1.685 96 3HZ LYS 11 3HZ LYS 11 1.020 13.685 3.085 97 H SER 12 H SER 12 3.144 8.719 1.212 98 HA SER 12 HA SER 12 5.781 7.403 0.833 99 1HB SER 12 2HB SER 12 4.960 9.099 3.141 100 2HB SER 12 1HB SER 12 5.834 7.611 3.510 101 HG SER 12 HG SER 12 6.792 9.192 1.425 102 H VAL 13 H VAL 13 5.961 5.444 2.277 103 HA VAL 13 HA VAL 13 3.826 3.667 1.936 104 HB VAL 13 HB VAL 13 5.965 3.674 4.084 105 1HG1 VAL 13 3HG1 VAL 13 3.651 1.980 3.703 106 2HG1 VAL 13 2HG1 VAL 13 5.132 1.050 3.475 107 3HG1 VAL 13 1HG1 VAL 13 4.864 1.927 4.981 108 1HG2 VAL 13 2HG2 VAL 13 5.746 2.606 1.277 109 2HG2 VAL 13 1HG2 VAL 13 7.070 3.504 2.019 110 3HG2 VAL 13 3HG2 VAL 13 6.804 1.813 2.443 111 H GLU 14 H GLU 14 4.535 5.779 4.699 112 HA GLU 14 HA GLU 14 2.728 4.916 6.601 113 1HB GLU 14 2HB GLU 14 3.407 7.734 5.733 114 2HB GLU 14 1HB GLU 14 2.394 7.394 7.137 115 1HG GLU 14 2HG GLU 14 4.136 6.431 8.339 116 2HG GLU 14 1HG GLU 14 5.028 5.989 6.883 117 H GLU 15 H GLU 15 1.770 7.571 4.398 118 HA GLU 15 HA GLU 15 -1.016 7.247 4.792 119 1HB GLU 15 2HB GLU 15 0.083 9.208 3.680 120 2HB GLU 15 1HB GLU 15 0.342 8.201 2.254 121 1HG GLU 15 2HG GLU 15 -1.685 9.072 1.637 122 2HG GLU 15 1HG GLU 15 -2.296 7.757 2.643 123 H ALA 16 H ALA 16 1.180 5.623 2.539 124 HA ALA 16 HA ALA 16 -0.833 4.396 0.923 125 1HB ALA 16 1HB ALA 16 2.044 3.829 1.515 126 2HB ALA 16 3HB ALA 16 1.096 2.598 0.682 127 3HB ALA 16 2HB ALA 16 1.275 4.203 -0.026 128 H LYS 17 H LYS 17 1.220 2.336 2.963 129 HA LYS 17 HA LYS 17 -0.595 0.263 3.301 130 1HB LYS 17 2HB LYS 17 1.807 1.138 4.617 131 2HB LYS 17 1HB LYS 17 0.652 0.598 5.837 132 1HG LYS 17 2HG LYS 17 1.185 -1.038 3.358 133 2HG LYS 17 1HG LYS 17 2.200 -1.192 4.792 134 1HD LYS 17 2HD LYS 17 -0.611 -1.222 5.513 135 2HD LYS 17 1HD LYS 17 -0.251 -2.482 4.332 136 1HE LYS 17 2HE LYS 17 1.591 -2.081 6.669 137 2HE LYS 17 1HE LYS 17 0.084 -2.969 6.896 138 1HZ LYS 17 3HZ LYS 17 1.697 -3.679 4.576 139 2HZ LYS 17 2HZ LYS 17 2.312 -4.126 6.095 140 3HZ LYS 17 1HZ LYS 17 0.778 -4.667 5.604 141 H LYS 18 H LYS 18 -0.485 3.326 4.986 142 HA LYS 18 HA LYS 18 -2.294 2.872 7.097 143 1HB LYS 18 2HB LYS 18 -1.056 4.937 6.974 144 2HB LYS 18 1HB LYS 18 -1.782 5.338 5.414 145 1HG LYS 18 2HG LYS 18 -4.037 5.327 6.587 146 2HG LYS 18 1HG LYS 18 -3.157 5.218 8.113 147 1HD LYS 18 2HD LYS 18 -1.969 7.290 6.536 148 2HD LYS 18 1HD LYS 18 -3.712 7.553 6.575 149 1HE LYS 18 2HE LYS 18 -3.458 7.049 9.138 150 2HE LYS 18 1HE LYS 18 -1.764 7.453 8.862 151 1HZ LYS 18 2HZ LYS 18 -3.542 9.317 7.624 152 2HZ LYS 18 1HZ LYS 18 -3.789 9.225 9.303 153 3HZ LYS 18 3HZ LYS 18 -2.252 9.600 8.693 154 H VAL 19 H VAL 19 -3.332 4.905 4.409 155 HA VAL 19 HA VAL 19 -6.095 4.206 4.719 156 HB VAL 19 HB VAL 19 -5.003 5.226 2.109 157 1HG1 VAL 19 1HG1 VAL 19 -7.532 4.944 3.228 158 2HG1 VAL 19 3HG1 VAL 19 -7.169 6.655 3.456 159 3HG1 VAL 19 2HG1 VAL 19 -7.125 5.951 1.839 160 1HG2 VAL 19 3HG2 VAL 19 -4.943 6.627 4.786 161 2HG2 VAL 19 2HG2 VAL 19 -3.664 6.530 3.573 162 3HG2 VAL 19 1HG2 VAL 19 -5.084 7.539 3.283 163 H ILE 20 H ILE 20 -3.720 3.235 2.225 164 HA ILE 20 HA ILE 20 -5.254 1.622 0.603 165 HB ILE 20 HB ILE 20 -2.487 1.070 1.708 166 1HG1 ILE 20 2HG1 ILE 20 -3.321 1.981 -1.055 167 2HG1 ILE 20 1HG1 ILE 20 -2.973 3.122 0.245 168 1HG2 ILE 20 2HG2 ILE 20 -4.222 -0.469 -0.171 169 2HG2 ILE 20 1HG2 ILE 20 -2.510 -0.328 -0.569 170 3HG2 ILE 20 3HG2 ILE 20 -3.002 -1.050 0.962 171 1HD1 ILE 20 1HD1 ILE 20 -0.817 1.395 0.359 172 2HD1 ILE 20 3HD1 ILE 20 -1.124 1.518 -1.374 173 3HD1 ILE 20 2HD1 ILE 20 -0.815 2.975 -0.427 174 H LEU 21 H LEU 21 -3.713 0.494 3.654 175 HA LEU 21 HA LEU 21 -4.653 -2.097 3.789 176 1HB LEU 21 2HB LEU 21 -3.312 -0.927 5.565 177 2HB LEU 21 1HB LEU 21 -4.810 -0.168 6.119 178 HG LEU 21 HG LEU 21 -5.037 -3.075 5.773 179 1HD1 LEU 21 3HD1 LEU 21 -2.609 -2.248 6.815 180 2HD1 LEU 21 2HD1 LEU 21 -3.595 -2.483 8.259 181 3HD1 LEU 21 1HD1 LEU 21 -3.370 -3.810 7.120 182 1HD2 LEU 21 2HD2 LEU 21 -6.351 -1.064 7.123 183 2HD2 LEU 21 1HD2 LEU 21 -6.556 -2.786 7.443 184 3HD2 LEU 21 3HD2 LEU 21 -5.434 -1.837 8.417 185 H GLN 22 H GLN 22 -6.560 0.795 4.656 186 HA GLN 22 HA GLN 22 -8.989 -0.830 4.127 187 1HB GLN 22 2HB GLN 22 -8.070 -0.182 6.722 188 2HB GLN 22 1HB GLN 22 -9.454 0.864 6.405 189 1HG GLN 22 2HG GLN 22 -10.356 -1.517 5.398 190 2HG GLN 22 1HG GLN 22 -9.354 -2.075 6.740 191 1HE2 GLN 22 2HE2 GLN 22 -12.473 0.456 7.677 192 2HE2 GLN 22 1HE2 GLN 22 -11.630 0.693 6.224 193 H ASP 23 H ASP 23 -8.207 1.000 2.301 194 HA ASP 23 HA ASP 23 -9.282 3.642 2.914 195 1HB ASP 23 2HB ASP 23 -8.970 4.080 0.479 196 2HB ASP 23 1HB ASP 23 -7.508 3.476 1.255 197 H LYS 24 H LYS 24 -10.507 0.650 1.544 198 HA LYS 24 HA LYS 24 -13.167 1.950 1.486 199 1HB LYS 24 2HB LYS 24 -13.409 0.076 -0.527 200 2HB LYS 24 1HB LYS 24 -13.212 1.801 -0.749 201 1HG LYS 24 2HG LYS 24 -10.792 1.584 -0.886 202 2HG LYS 24 1HG LYS 24 -10.882 -0.136 -0.562 203 1HD LYS 24 2HD LYS 24 -11.995 1.291 -2.994 204 2HD LYS 24 1HD LYS 24 -10.581 0.235 -2.956 205 1HE LYS 24 2HE LYS 24 -13.302 -0.762 -2.101 206 2HE LYS 24 1HE LYS 24 -12.796 -0.790 -3.786 207 1HZ LYS 24 2HZ LYS 24 -11.038 -1.893 -1.700 208 2HZ LYS 24 1HZ LYS 24 -12.323 -2.822 -2.309 209 3HZ LYS 24 3HZ LYS 24 -11.109 -2.269 -3.354 210 HA PRO 25 HA PRO 25 -14.155 -2.328 2.943 211 1HB PRO 25 2HB PRO 25 -13.052 -4.587 1.864 212 2HB PRO 25 1HB PRO 25 -14.402 -3.731 1.096 213 1HG PRO 25 2HG PRO 25 -11.566 -3.869 0.254 214 2HG PRO 25 1HG PRO 25 -12.999 -3.464 -0.700 215 1HD PRO 25 2HD PRO 25 -11.076 -1.640 0.420 216 2HD PRO 25 1HD PRO 25 -12.544 -1.265 -0.486 217 H GLU 26 H GLU 26 -11.179 -3.948 2.042 218 HA GLU 26 HA GLU 26 -9.609 -3.111 4.343 219 1HB GLU 26 2HB GLU 26 -10.216 -6.050 4.284 220 2HB GLU 26 1HB GLU 26 -9.667 -5.053 5.627 221 1HG GLU 26 2HG GLU 26 -11.879 -4.012 5.794 222 2HG GLU 26 1HG GLU 26 -12.432 -4.920 4.384 223 H ALA 27 H ALA 27 -8.859 -2.810 1.802 224 HA ALA 27 HA ALA 27 -7.463 -5.231 0.898 225 1HB ALA 27 3HB ALA 27 -8.217 -2.646 -0.298 226 2HB ALA 27 2HB ALA 27 -6.615 -3.210 -0.773 227 3HB ALA 27 1HB ALA 27 -8.029 -4.224 -1.065 228 H GLN 28 H GLN 28 -5.487 -5.699 1.703 229 HA GLN 28 HA GLN 28 -3.930 -3.593 3.052 230 1HB GLN 28 2HB GLN 28 -2.925 -6.389 2.666 231 2HB GLN 28 1HB GLN 28 -2.722 -5.309 4.047 232 1HG GLN 28 2HG GLN 28 -5.380 -5.544 4.145 233 2HG GLN 28 1HG GLN 28 -5.024 -7.077 3.348 234 1HE2 GLN 28 2HE2 GLN 28 -4.143 -6.601 7.281 235 2HE2 GLN 28 1HE2 GLN 28 -4.849 -5.349 6.379 236 H ILE 29 H ILE 29 -1.396 -3.877 2.596 237 HA ILE 29 HA ILE 29 -0.924 -4.273 -0.293 238 HB ILE 29 HB ILE 29 -1.587 -1.911 -0.066 239 1HG1 ILE 29 2HG1 ILE 29 1.371 -1.827 -0.475 240 2HG1 ILE 29 1HG1 ILE 29 0.419 -2.889 -1.515 241 1HG2 ILE 29 3HG2 ILE 29 -0.558 -1.906 2.367 242 2HG2 ILE 29 2HG2 ILE 29 0.906 -1.404 1.524 243 3HG2 ILE 29 1HG2 ILE 29 -0.558 -0.426 1.407 244 1HD1 ILE 29 2HD1 ILE 29 -1.087 -0.923 -2.002 245 2HD1 ILE 29 1HD1 ILE 29 0.064 0.095 -1.135 246 3HD1 ILE 29 3HD1 ILE 29 0.559 -0.740 -2.606 247 H ILE 30 H ILE 30 1.098 -4.980 -0.731 248 HA ILE 30 HA ILE 30 2.927 -5.497 1.533 249 HB ILE 30 HB ILE 30 2.752 -6.403 -1.341 250 1HG1 ILE 30 2HG1 ILE 30 2.767 -7.799 1.349 251 2HG1 ILE 30 1HG1 ILE 30 1.402 -7.645 0.242 252 1HG2 ILE 30 2HG2 ILE 30 5.165 -6.090 0.229 253 2HG2 ILE 30 1HG2 ILE 30 4.872 -7.790 -0.135 254 3HG2 ILE 30 3HG2 ILE 30 4.983 -6.615 -1.448 255 1HD1 ILE 30 3HD1 ILE 30 3.992 -9.056 -0.465 256 2HD1 ILE 30 2HD1 ILE 30 2.552 -9.884 0.128 257 3HD1 ILE 30 1HD1 ILE 30 2.505 -9.027 -1.411 258 H VAL 31 H VAL 31 4.455 -3.928 1.969 259 HA VAL 31 HA VAL 31 5.254 -2.129 -0.259 260 HB VAL 31 HB VAL 31 5.994 -1.816 2.655 261 1HG1 VAL 31 1HG1 VAL 31 6.400 -0.321 0.197 262 2HG1 VAL 31 3HG1 VAL 31 5.556 0.651 1.403 263 3HG1 VAL 31 2HG1 VAL 31 7.120 -0.067 1.787 264 1HG2 VAL 31 2HG2 VAL 31 3.481 -0.966 1.196 265 2HG2 VAL 31 1HG2 VAL 31 3.595 -1.945 2.658 266 3HG2 VAL 31 3HG2 VAL 31 4.005 -0.231 2.711 267 H LEU 32 H LEU 32 7.391 -2.008 -0.960 268 HA LEU 32 HA LEU 32 9.443 -3.603 0.478 269 1HB LEU 32 2HB LEU 32 10.064 -4.871 -1.462 270 2HB LEU 32 1HB LEU 32 8.328 -5.058 -1.290 271 HG LEU 32 HG LEU 32 9.038 -2.744 -2.910 272 1HD1 LEU 32 1HD1 LEU 32 10.906 -4.591 -3.236 273 2HD1 LEU 32 3HD1 LEU 32 9.650 -5.405 -4.165 274 3HD1 LEU 32 2HD1 LEU 32 10.204 -3.802 -4.643 275 1HD2 LEU 32 3HD2 LEU 32 6.915 -4.466 -2.558 276 2HD2 LEU 32 2HD2 LEU 32 7.092 -3.379 -3.933 277 3HD2 LEU 32 1HD2 LEU 32 7.610 -5.060 -4.065 278 HA PRO 33 HA PRO 33 12.074 -0.354 -0.774 279 1HB PRO 33 2HB PRO 33 14.480 -1.657 -0.887 280 2HB PRO 33 1HB PRO 33 13.643 -1.266 0.624 281 1HG PRO 33 2HG PRO 33 13.929 -3.901 -0.731 282 2HG PRO 33 1HG PRO 33 13.683 -3.542 0.987 283 1HD PRO 33 2HD PRO 33 11.699 -4.406 -0.842 284 2HD PRO 33 1HD PRO 33 11.410 -3.771 0.790 285 H VAL 34 H VAL 34 10.981 -2.328 -3.018 286 HA VAL 34 HA VAL 34 11.053 -2.226 -5.359 287 HB VAL 34 HB VAL 34 13.329 -0.287 -4.873 288 1HG1 VAL 34 2HG1 VAL 34 12.516 -1.726 -7.263 289 2HG1 VAL 34 1HG1 VAL 34 12.365 0.020 -7.469 290 3HG1 VAL 34 3HG1 VAL 34 13.915 -0.683 -7.006 291 1HG2 VAL 34 3HG2 VAL 34 10.401 -0.060 -5.572 292 2HG2 VAL 34 2HG2 VAL 34 11.275 0.729 -4.256 293 3HG2 VAL 34 1HG2 VAL 34 11.536 1.246 -5.923 294 H GLY 35 H GLY 35 14.499 -2.004 -4.456 295 1HA GLY 35 2HA GLY 35 15.931 -3.470 -6.056 296 2HA GLY 35 1HA GLY 35 16.026 -3.878 -4.348 297 H THR 36 H THR 36 13.739 -5.266 -3.842 298 HA THR 36 HA THR 36 14.217 -7.850 -4.730 299 HB THR 36 HB THR 36 11.556 -6.593 -4.040 300 HG1 THR 36 HG1 THR 36 12.718 -6.595 -2.243 301 1HG2 THR 36 2HG2 THR 36 12.367 -9.434 -4.614 302 2HG2 THR 36 1HG2 THR 36 11.030 -9.084 -3.517 303 3HG2 THR 36 3HG2 THR 36 10.957 -8.550 -5.197 304 H ILE 37 H ILE 37 11.154 -6.677 -5.858 305 HA ILE 37 HA ILE 37 10.106 -7.117 -7.924 306 HB ILE 37 HB ILE 37 11.366 -5.971 -9.832 307 1HG1 ILE 37 2HG1 ILE 37 13.214 -5.234 -7.540 308 2HG1 ILE 37 1HG1 ILE 37 13.637 -6.299 -8.881 309 1HG2 ILE 37 2HG2 ILE 37 10.395 -4.763 -7.294 310 2HG2 ILE 37 1HG2 ILE 37 11.284 -3.698 -8.383 311 3HG2 ILE 37 3HG2 ILE 37 9.829 -4.519 -8.947 312 1HD1 ILE 37 2HD1 ILE 37 12.510 -3.666 -9.641 313 2HD1 ILE 37 1HD1 ILE 37 14.111 -3.628 -8.904 314 3HD1 ILE 37 3HD1 ILE 37 13.835 -4.575 -10.366 315 H VAL 38 H VAL 38 10.274 -9.415 -7.957 316 HA VAL 38 HA VAL 38 10.781 -11.411 -9.056 317 HB VAL 38 HB VAL 38 12.623 -9.747 -10.796 318 1HG1 VAL 38 1HG1 VAL 38 11.222 -12.413 -11.152 319 2HG1 VAL 38 3HG1 VAL 38 12.066 -11.558 -12.443 320 3HG1 VAL 38 2HG1 VAL 38 12.961 -12.144 -11.041 321 1HG2 VAL 38 3HG2 VAL 38 9.646 -10.102 -10.747 322 2HG2 VAL 38 2HG2 VAL 38 10.593 -8.661 -11.117 323 3HG2 VAL 38 1HG2 VAL 38 10.460 -9.958 -12.305 324 H THR 39 H THR 39 14.005 -10.405 -9.928 325 HA THR 39 HA THR 39 15.081 -12.338 -7.998 326 HB THR 39 HB THR 39 15.897 -12.059 -10.407 327 HG1 THR 39 HG1 THR 39 17.507 -13.081 -9.580 328 1HG2 THR 39 1HG2 THR 39 16.183 -9.399 -9.578 329 2HG2 THR 39 3HG2 THR 39 17.831 -10.022 -9.665 330 3HG2 THR 39 2HG2 THR 39 16.783 -10.101 -11.082 331 1H GLU 41 1H GLU 41 -15.712 -7.301 -9.232 332 2H GLU 41 3H GLU 41 -14.933 -6.138 -10.189 333 3H GLU 41 2H GLU 41 -15.458 -7.595 -10.886 334 HA GLU 41 HA GLU 41 -13.671 -8.736 -10.219 335 1HB GLU 41 2HB GLU 41 -13.026 -5.892 -10.445 336 2HB GLU 41 1HB GLU 41 -11.875 -6.763 -9.431 337 1HG GLU 41 2HG GLU 41 -11.149 -6.850 -11.770 338 2HG GLU 41 1HG GLU 41 -11.613 -8.461 -11.226 339 H TYR 42 H TYR 42 -12.671 -9.716 -8.444 340 HA TYR 42 HA TYR 42 -13.842 -9.385 -5.875 341 1HB TYR 42 2HB TYR 42 -12.015 -10.835 -5.064 342 2HB TYR 42 1HB TYR 42 -12.686 -11.453 -6.572 343 HD1 TYR 42 HD1 TYR 42 -11.457 -11.169 -8.710 344 HD2 TYR 42 HD2 TYR 42 -9.766 -9.968 -4.950 345 HE1 TYR 42 HE1 TYR 42 -9.219 -11.055 -9.754 346 HE2 TYR 42 HE2 TYR 42 -7.527 -9.855 -5.994 347 HH TYR 42 HH TYR 42 -6.331 -10.672 -7.872 348 H ARG 43 H ARG 43 -11.526 -9.300 -4.152 349 HA ARG 43 HA ARG 43 -10.298 -6.655 -4.646 350 1HB ARG 43 2HB ARG 43 -11.112 -5.656 -2.617 351 2HB ARG 43 1HB ARG 43 -12.518 -6.279 -3.475 352 1HG ARG 43 2HG ARG 43 -11.961 -8.458 -2.021 353 2HG ARG 43 1HG ARG 43 -11.252 -7.248 -0.946 354 1HD ARG 43 2HD ARG 43 -13.365 -7.003 -0.154 355 2HD ARG 43 1HD ARG 43 -13.647 -6.073 -1.626 356 HE ARG 43 HE ARG 43 -14.503 -8.872 -1.156 357 1HH1 ARG 43 1HH2 ARG 43 -15.426 -5.956 -2.405 358 2HH1 ARG 43 2HH2 ARG 43 -16.055 -6.566 -3.899 359 1HH2 ARG 43 2HH1 ARG 43 -14.780 -9.759 -3.433 360 2HH2 ARG 43 1HH1 ARG 43 -15.685 -8.720 -4.484 361 H ILE 44 H ILE 44 -8.576 -8.550 -4.743 362 HA ILE 44 HA ILE 44 -7.760 -9.964 -2.465 363 HB ILE 44 HB ILE 44 -6.506 -10.315 -4.492 364 1HG1 ILE 44 2HG1 ILE 44 -4.360 -8.886 -3.068 365 2HG1 ILE 44 1HG1 ILE 44 -5.354 -9.891 -2.010 366 1HG2 ILE 44 3HG2 ILE 44 -6.459 -7.380 -4.481 367 2HG2 ILE 44 2HG2 ILE 44 -4.888 -8.089 -4.857 368 3HG2 ILE 44 1HG2 ILE 44 -6.296 -8.495 -5.838 369 1HD1 ILE 44 2HD1 ILE 44 -5.052 -11.715 -3.849 370 2HD1 ILE 44 1HD1 ILE 44 -3.705 -10.718 -4.399 371 3HD1 ILE 44 3HD1 ILE 44 -3.698 -11.389 -2.768 372 H ASP 45 H ASP 45 -6.793 -9.370 -0.549 373 HA ASP 45 HA ASP 45 -6.717 -6.480 -0.040 374 1HB ASP 45 2HB ASP 45 -6.800 -7.025 2.252 375 2HB ASP 45 1HB ASP 45 -7.754 -8.293 1.477 376 H ARG 46 H ARG 46 -4.790 -7.114 -1.811 377 HA ARG 46 HA ARG 46 -2.336 -6.477 -0.299 378 1HB ARG 46 2HB ARG 46 -2.535 -9.039 -0.622 379 2HB ARG 46 1HB ARG 46 -2.257 -8.711 -2.333 380 1HG ARG 46 2HG ARG 46 -0.118 -7.731 -1.896 381 2HG ARG 46 1HG ARG 46 -0.425 -7.680 -0.158 382 1HD ARG 46 2HD ARG 46 0.696 -9.651 -0.093 383 2HD ARG 46 1HD ARG 46 -0.797 -10.345 -0.726 384 HE ARG 46 HE ARG 46 1.172 -9.338 -2.700 385 1HH1 ARG 46 2HH1 ARG 46 -1.108 -11.158 -3.403 386 2HH1 ARG 46 1HH1 ARG 46 -0.320 -12.696 -3.517 387 1HH2 ARG 46 1HH2 ARG 46 2.523 -11.664 -1.822 388 2HH2 ARG 46 2HH2 ARG 46 1.733 -12.984 -2.620 389 H VAL 47 H VAL 47 -0.769 -5.460 -1.648 390 HA VAL 47 HA VAL 47 -1.375 -5.061 -4.499 391 HB VAL 47 HB VAL 47 -1.298 -2.727 -2.560 392 1HG1 VAL 47 2HG1 VAL 47 -1.242 -3.002 -5.544 393 2HG1 VAL 47 1HG1 VAL 47 -2.107 -1.643 -4.834 394 3HG1 VAL 47 3HG1 VAL 47 -0.386 -1.855 -4.514 395 1HG2 VAL 47 3HG2 VAL 47 -3.531 -3.924 -4.226 396 2HG2 VAL 47 2HG2 VAL 47 -3.428 -3.925 -2.465 397 3HG2 VAL 47 1HG2 VAL 47 -3.645 -2.406 -3.336 398 H ARG 48 H ARG 48 0.488 -3.660 -5.480 399 HA ARG 48 HA ARG 48 2.987 -4.540 -4.132 400 1HB ARG 48 2HB ARG 48 2.207 -3.999 -6.943 401 2HB ARG 48 1HB ARG 48 3.875 -3.640 -6.486 402 1HG ARG 48 2HG ARG 48 2.439 -6.290 -6.110 403 2HG ARG 48 1HG ARG 48 3.720 -5.958 -7.274 404 1HD ARG 48 2HD ARG 48 5.143 -5.284 -5.215 405 2HD ARG 48 1HD ARG 48 3.919 -6.126 -4.262 406 HE ARG 48 HE ARG 48 5.575 -7.443 -6.377 407 1HH1 ARG 48 1HH2 ARG 48 3.025 -8.821 -5.557 408 2HH1 ARG 48 2HH2 ARG 48 3.579 -9.880 -4.304 409 1HH2 ARG 48 2HH1 ARG 48 6.589 -8.213 -3.864 410 2HH2 ARG 48 1HH1 ARG 48 5.598 -9.537 -3.349 411 H LEU 49 H LEU 49 2.996 -2.801 -2.554 412 HA LEU 49 HA LEU 49 3.252 -0.075 -3.623 413 1HB LEU 49 2HB LEU 49 2.172 -0.124 -1.501 414 2HB LEU 49 1HB LEU 49 3.394 -1.199 -0.820 415 HG LEU 49 HG LEU 49 5.043 0.515 -0.786 416 1HD1 LEU 49 1HD1 LEU 49 4.486 1.392 -3.099 417 2HD1 LEU 49 3HD1 LEU 49 3.160 2.298 -2.366 418 3HD1 LEU 49 2HD1 LEU 49 4.826 2.653 -1.913 419 1HD2 LEU 49 1HD2 LEU 49 2.315 1.318 0.114 420 2HD2 LEU 49 3HD2 LEU 49 3.771 1.035 1.067 421 3HD2 LEU 49 2HD2 LEU 49 3.583 2.542 0.168 422 H PHE 50 H PHE 50 5.094 -0.008 -4.805 423 HA PHE 50 HA PHE 50 7.641 -0.995 -3.651 424 1HB PHE 50 2HB PHE 50 6.742 0.098 -6.319 425 2HB PHE 50 1HB PHE 50 8.463 -0.112 -5.944 426 HD1 PHE 50 HD2 PHE 50 9.262 -2.424 -5.240 427 HD2 PHE 50 HD1 PHE 50 5.395 -1.746 -6.976 428 HE1 PHE 50 HE2 PHE 50 9.103 -4.829 -5.845 429 HE2 PHE 50 HE1 PHE 50 5.250 -4.142 -7.588 430 HZ PHE 50 HZ PHE 50 7.101 -5.682 -7.019 431 H VAL 51 H VAL 51 9.055 0.489 -2.669 432 HA VAL 51 HA VAL 51 8.115 3.278 -2.488 433 HB VAL 51 HB VAL 51 10.073 3.489 -0.877 434 1HG1 VAL 51 2HG1 VAL 51 7.581 2.690 -0.421 435 2HG1 VAL 51 1HG1 VAL 51 8.383 1.169 -0.027 436 3HG1 VAL 51 3HG1 VAL 51 8.796 2.639 0.858 437 1HG2 VAL 51 2HG2 VAL 51 10.759 1.025 -2.099 438 2HG2 VAL 51 1HG2 VAL 51 11.594 1.836 -0.775 439 3HG2 VAL 51 3HG2 VAL 51 10.331 0.656 -0.429 440 H ASP 52 H ASP 52 10.083 4.940 -2.439 441 HA ASP 52 HA ASP 52 11.513 4.550 -5.025 442 1HB ASP 52 2HB ASP 52 11.305 6.822 -5.448 443 2HB ASP 52 1HB ASP 52 9.837 6.538 -4.520 444 H LYS 53 H LYS 53 13.261 6.834 -4.435 445 HA LYS 53 HA LYS 53 15.406 5.407 -3.125 446 1HB LYS 53 2HB LYS 53 15.259 8.347 -3.793 447 2HB LYS 53 1HB LYS 53 16.704 7.338 -3.702 448 1HG LYS 53 2HG LYS 53 14.516 6.627 -5.651 449 2HG LYS 53 1HG LYS 53 15.651 7.918 -6.050 450 1HD LYS 53 2HD LYS 53 17.228 5.809 -5.031 451 2HD LYS 53 1HD LYS 53 16.069 5.062 -6.132 452 1HE LYS 53 2HE LYS 53 17.259 5.812 -7.887 453 2HE LYS 53 1HE LYS 53 16.982 7.470 -7.355 454 1HZ LYS 53 3HZ LYS 53 19.018 5.935 -5.939 455 2HZ LYS 53 2HZ LYS 53 19.389 6.430 -7.520 456 3HZ LYS 53 1HZ LYS 53 18.986 7.581 -6.338 457 H LEU 54 H LEU 54 13.451 8.295 -2.326 458 HA LEU 54 HA LEU 54 14.470 8.184 0.467 459 1HB LEU 54 2HB LEU 54 14.103 10.329 -1.152 460 2HB LEU 54 1HB LEU 54 12.532 10.279 -0.349 461 HG LEU 54 HG LEU 54 13.913 11.654 1.034 462 1HD1 LEU 54 1HD1 LEU 54 13.935 8.833 2.155 463 2HD1 LEU 54 3HD1 LEU 54 14.140 10.307 3.102 464 3HD1 LEU 54 2HD1 LEU 54 12.607 9.987 2.290 465 1HD2 LEU 54 2HD2 LEU 54 16.003 10.253 -0.112 466 2HD2 LEU 54 1HD2 LEU 54 16.165 11.420 1.201 467 3HD2 LEU 54 3HD2 LEU 54 16.042 9.698 1.562 468 H ASP 55 H ASP 55 12.654 6.127 -0.421 469 HA ASP 55 HA ASP 55 10.601 5.137 0.148 470 1HB ASP 55 2HB ASP 55 9.992 6.518 2.578 471 2HB ASP 55 1HB ASP 55 10.636 4.886 2.381 472 H ASN 56 H ASN 56 9.845 6.615 -1.690 473 HA ASN 56 HA ASN 56 7.586 8.256 -0.675 474 1HB ASN 56 2HB ASN 56 8.963 10.003 -1.382 475 2HB ASN 56 1HB ASN 56 9.717 9.028 -2.640 476 1HD2 ASN 56 2HD2 ASN 56 7.315 9.862 -5.107 477 2HD2 ASN 56 1HD2 ASN 56 8.658 8.901 -4.713 478 H ILE 57 H ILE 57 5.808 7.289 -1.359 479 HA ILE 57 HA ILE 57 5.553 5.139 -3.077 480 HB ILE 57 HB ILE 57 3.450 7.306 -2.889 481 1HG1 ILE 57 2HG1 ILE 57 4.301 6.708 -0.612 482 2HG1 ILE 57 1HG1 ILE 57 2.636 6.198 -0.868 483 1HG2 ILE 57 1HG2 ILE 57 3.602 4.601 -3.949 484 2HG2 ILE 57 3HG2 ILE 57 2.318 4.763 -2.748 485 3HG2 ILE 57 2HG2 ILE 57 2.339 5.817 -4.163 486 1HD1 ILE 57 2HD1 ILE 57 3.433 3.933 -1.457 487 2HD1 ILE 57 1HD1 ILE 57 5.090 4.440 -1.131 488 3HD1 ILE 57 3HD1 ILE 57 3.909 4.387 0.178 489 H ALA 58 H ALA 58 6.933 5.483 -4.895 490 HA ALA 58 HA ALA 58 6.249 7.654 -6.779 491 1HB ALA 58 2HB ALA 58 8.578 6.132 -6.210 492 2HB ALA 58 1HB ALA 58 8.100 5.725 -7.858 493 3HB ALA 58 3HB ALA 58 8.400 7.406 -7.417 494 H GLN 59 H GLN 59 5.703 4.257 -6.292 495 HA GLN 59 HA GLN 59 4.466 4.029 -9.000 496 1HB GLN 59 2HB GLN 59 6.162 2.303 -7.669 497 2HB GLN 59 1HB GLN 59 4.576 1.616 -7.317 498 1HG GLN 59 2HG GLN 59 4.067 1.318 -9.603 499 2HG GLN 59 1HG GLN 59 5.340 2.425 -10.119 500 1HE2 GLN 59 2HE2 GLN 59 6.687 -0.981 -10.672 501 2HE2 GLN 59 1HE2 GLN 59 5.450 -0.020 -11.329 502 H VAL 60 H VAL 60 2.248 3.997 -9.113 503 HA VAL 60 HA VAL 60 0.741 4.239 -6.618 504 HB VAL 60 HB VAL 60 -0.212 4.126 -9.490 505 1HG1 VAL 60 1HG1 VAL 60 -1.665 3.656 -7.182 506 2HG1 VAL 60 3HG1 VAL 60 -1.903 5.386 -7.446 507 3HG1 VAL 60 2HG1 VAL 60 -2.338 4.235 -8.710 508 1HG2 VAL 60 3HG2 VAL 60 0.585 6.336 -7.606 509 2HG2 VAL 60 2HG2 VAL 60 0.962 6.146 -9.319 510 3HG2 VAL 60 1HG2 VAL 60 -0.657 6.635 -8.823 511 HA PRO 61 HA PRO 61 -0.113 -0.143 -6.562 512 1HB PRO 61 2HB PRO 61 -1.472 -0.083 -4.180 513 2HB PRO 61 1HB PRO 61 0.293 -0.055 -4.295 514 1HG PRO 61 2HG PRO 61 -1.580 2.155 -3.608 515 2HG PRO 61 1HG PRO 61 0.127 1.958 -3.178 516 1HD PRO 61 2HD PRO 61 -0.910 3.628 -5.231 517 2HD PRO 61 1HD PRO 61 0.800 3.225 -4.958 518 H ARG 62 H ARG 62 -2.106 -1.466 -6.672 519 HA ARG 62 HA ARG 62 -4.673 -0.025 -6.746 520 1HB ARG 62 2HB ARG 62 -3.193 -0.550 -9.130 521 2HB ARG 62 1HB ARG 62 -4.615 -1.596 -9.126 522 1HG ARG 62 2HG ARG 62 -5.545 0.323 -10.030 523 2HG ARG 62 1HG ARG 62 -5.817 0.634 -8.315 524 1HD ARG 62 2HD ARG 62 -4.177 2.251 -8.201 525 2HD ARG 62 1HD ARG 62 -3.198 1.490 -9.456 526 HE ARG 62 HE ARG 62 -5.750 2.814 -10.233 527 1HH1 ARG 62 2HH1 ARG 62 -2.889 1.720 -11.451 528 2HH1 ARG 62 1HH1 ARG 62 -2.423 3.190 -12.239 529 1HH2 ARG 62 1HH2 ARG 62 -4.914 5.090 -10.752 530 2HH2 ARG 62 2HH2 ARG 62 -3.570 5.097 -11.845 531 H VAL 63 H VAL 63 -6.256 -1.330 -5.960 532 HA VAL 63 HA VAL 63 -5.640 -4.238 -5.713 533 HB VAL 63 HB VAL 63 -6.782 -2.254 -3.911 534 1HG1 VAL 63 1HG1 VAL 63 -8.421 -4.720 -4.503 535 2HG1 VAL 63 3HG1 VAL 63 -8.465 -3.932 -2.925 536 3HG1 VAL 63 2HG1 VAL 63 -8.971 -3.049 -4.366 537 1HG2 VAL 63 3HG2 VAL 63 -5.206 -4.653 -3.885 538 2HG2 VAL 63 2HG2 VAL 63 -5.380 -3.439 -2.619 539 3HG2 VAL 63 1HG2 VAL 63 -6.497 -4.800 -2.692 540 H GLY 64 H GLY 64 -6.791 -5.597 -6.991 541 1HA GLY 64 2HA GLY 64 -8.641 -4.796 -8.940 542 2HA GLY 64 1HA GLY 64 -8.552 -6.439 -8.302 No H/Q in entry = 542 Start of MODEL 5 Raw file had 552 H/Q atoms Start of MODEL 5 1 1H MET 1 3H MET 1 -12.842 2.195 -3.903 2 2H MET 1 2H MET 1 -14.230 2.323 -2.931 3 3H MET 1 1H MET 1 -14.305 2.725 -4.580 4 HA MET 1 HA MET 1 -13.934 4.817 -4.008 5 1HB MET 1 2HB MET 1 -13.532 3.507 -1.358 6 2HB MET 1 1HB MET 1 -12.977 5.171 -1.547 7 1HG MET 1 2HG MET 1 -15.771 4.191 -2.203 8 2HG MET 1 1HG MET 1 -15.325 5.068 -0.740 9 1HE MET 1 1HE MET 1 -17.512 5.826 -2.125 10 2HE MET 1 3HE MET 1 -17.474 7.412 -2.907 11 3HE MET 1 2HE MET 1 -17.279 5.947 -3.867 12 H LYS 2 H LYS 2 -11.377 4.240 -1.778 13 HA LYS 2 HA LYS 2 -9.454 5.289 -3.740 14 1HB LYS 2 2HB LYS 2 -9.658 5.165 -0.840 15 2HB LYS 2 1HB LYS 2 -8.065 4.646 -1.393 16 1HG LYS 2 2HG LYS 2 -9.452 7.229 -2.176 17 2HG LYS 2 1HG LYS 2 -8.112 7.085 -1.038 18 1HD LYS 2 2HD LYS 2 -6.806 5.975 -2.940 19 2HD LYS 2 1HD LYS 2 -8.088 6.542 -4.012 20 1HE LYS 2 2HE LYS 2 -6.409 8.239 -4.066 21 2HE LYS 2 1HE LYS 2 -7.690 8.867 -3.030 22 1HZ LYS 2 2HZ LYS 2 -6.396 7.905 -1.123 23 2HZ LYS 2 1HZ LYS 2 -5.109 7.671 -2.207 24 3HZ LYS 2 3HZ LYS 2 -5.679 9.238 -1.896 25 H THR 3 H THR 3 -9.765 3.210 -5.036 26 HA THR 3 HA THR 3 -8.216 0.906 -3.937 27 HB THR 3 HB THR 3 -9.587 0.936 -6.620 28 HG1 THR 3 HG1 THR 3 -11.285 1.517 -5.470 29 1HG2 THR 3 1HG2 THR 3 -8.118 -0.943 -5.304 30 2HG2 THR 3 3HG2 THR 3 -9.744 -1.349 -4.753 31 3HG2 THR 3 2HG2 THR 3 -9.378 -1.325 -6.479 32 H GLU 4 H GLU 4 -7.897 3.604 -6.065 33 HA GLU 4 HA GLU 4 -5.623 2.311 -7.493 34 1HB GLU 4 2HB GLU 4 -6.528 5.102 -8.122 35 2HB GLU 4 1HB GLU 4 -5.900 3.857 -9.200 36 1HG GLU 4 2HG GLU 4 -8.056 2.556 -8.714 37 2HG GLU 4 1HG GLU 4 -8.668 4.052 -8.006 38 H TRP 5 H TRP 5 -6.406 5.049 -5.377 39 HA TRP 5 HA TRP 5 -4.976 6.468 -4.157 40 1HB TRP 5 2HB TRP 5 -2.994 4.211 -4.590 41 2HB TRP 5 1HB TRP 5 -2.877 5.479 -3.372 42 HD1 TRP 5 HD1 TRP 5 -5.012 5.545 -1.583 43 HE1 TRP 5 HE1 TRP 5 -6.216 3.548 -0.485 44 HE3 TRP 5 HE3 TRP 5 -3.712 1.816 -4.840 45 HZ2 TRP 5 HZ2 TRP 5 -6.569 0.752 -0.929 46 HZ3 TRP 5 HZ3 TRP 5 -4.506 -0.497 -4.469 47 HH2 TRP 5 HH2 TRP 5 -5.941 -1.029 -2.519 48 HA PRO 6 HA PRO 6 -2.624 7.262 -8.157 49 1HB PRO 6 2HB PRO 6 -4.339 9.063 -9.345 50 2HB PRO 6 1HB PRO 6 -4.383 7.322 -9.680 51 1HG PRO 6 2HG PRO 6 -6.249 8.962 -8.029 52 2HG PRO 6 1HG PRO 6 -6.553 7.444 -8.891 53 1HD PRO 6 2HD PRO 6 -6.115 7.708 -6.108 54 2HD PRO 6 1HD PRO 6 -6.079 6.202 -7.028 55 H GLU 7 H GLU 7 -4.699 9.209 -6.213 56 HA GLU 7 HA GLU 7 -3.090 11.633 -6.324 57 1HB GLU 7 2HB GLU 7 -5.489 10.716 -4.935 58 2HB GLU 7 1HB GLU 7 -4.430 11.653 -3.880 59 1HG GLU 7 2HG GLU 7 -4.880 12.715 -6.631 60 2HG GLU 7 1HG GLU 7 -6.230 12.828 -5.501 61 H LEU 8 H LEU 8 -2.624 8.572 -4.950 62 HA LEU 8 HA LEU 8 -1.176 9.511 -2.587 63 1HB LEU 8 2HB LEU 8 -2.457 7.248 -2.935 64 2HB LEU 8 1HB LEU 8 -0.967 6.732 -3.724 65 HG LEU 8 HG LEU 8 0.301 7.396 -1.685 66 1HD1 LEU 8 3HD1 LEU 8 -2.182 8.653 -1.056 67 2HD1 LEU 8 2HD1 LEU 8 -1.888 7.418 0.167 68 3HD1 LEU 8 1HD1 LEU 8 -0.689 8.677 -0.118 69 1HD2 LEU 8 1HD2 LEU 8 -0.973 5.086 -2.147 70 2HD2 LEU 8 3HD2 LEU 8 -0.089 5.371 -0.648 71 3HD2 LEU 8 2HD2 LEU 8 -1.840 5.570 -0.690 72 H VAL 9 H VAL 9 -0.494 9.508 -5.833 73 HA VAL 9 HA VAL 9 2.120 8.433 -5.993 74 HB VAL 9 HB VAL 9 0.781 10.720 -7.444 75 1HG1 VAL 9 1HG1 VAL 9 3.249 11.180 -7.248 76 2HG1 VAL 9 3HG1 VAL 9 3.555 9.610 -7.999 77 3HG1 VAL 9 2HG1 VAL 9 2.731 10.874 -8.912 78 1HG2 VAL 9 2HG2 VAL 9 1.696 7.935 -8.221 79 2HG2 VAL 9 1HG2 VAL 9 0.030 8.480 -8.024 80 3HG2 VAL 9 3HG2 VAL 9 1.013 9.107 -9.347 81 H GLY 10 H GLY 10 4.168 9.388 -5.726 82 1HA GLY 10 2HA GLY 10 5.750 10.765 -4.702 83 2HA GLY 10 1HA GLY 10 4.591 12.075 -4.926 84 H LYS 11 H LYS 11 3.171 9.552 -3.151 85 HA LYS 11 HA LYS 11 3.438 11.174 -0.694 86 1HB LYS 11 2HB LYS 11 1.285 9.900 -1.759 87 2HB LYS 11 1HB LYS 11 1.855 8.668 -0.630 88 1HG LYS 11 2HG LYS 11 0.271 10.138 0.510 89 2HG LYS 11 1HG LYS 11 1.884 10.398 1.173 90 1HD LYS 11 2HD LYS 11 2.155 12.443 0.027 91 2HD LYS 11 1HD LYS 11 0.854 12.080 -1.108 92 1HE LYS 11 2HE LYS 11 -0.817 12.341 0.621 93 2HE LYS 11 1HE LYS 11 0.426 12.493 1.864 94 1HZ LYS 11 1HZ LYS 11 0.884 14.363 -0.203 95 2HZ LYS 11 3HZ LYS 11 -0.708 14.521 0.360 96 3HZ LYS 11 2HZ LYS 11 0.594 14.645 1.448 97 H SER 12 H SER 12 2.917 8.657 0.926 98 HA SER 12 HA SER 12 5.534 7.287 0.655 99 1HB SER 12 2HB SER 12 4.818 9.213 2.758 100 2HB SER 12 1HB SER 12 5.410 7.670 3.374 101 HG SER 12 HG SER 12 6.951 9.483 2.716 102 H VAL 13 H VAL 13 5.637 5.332 2.022 103 HA VAL 13 HA VAL 13 3.354 3.705 1.838 104 HB VAL 13 HB VAL 13 5.702 3.548 3.742 105 1HG1 VAL 13 1HG1 VAL 13 3.324 1.739 3.344 106 2HG1 VAL 13 3HG1 VAL 13 4.877 1.082 3.864 107 3HG1 VAL 13 2HG1 VAL 13 4.053 2.287 4.855 108 1HG2 VAL 13 2HG2 VAL 13 5.612 3.191 1.043 109 2HG2 VAL 13 1HG2 VAL 13 6.730 2.329 2.101 110 3HG2 VAL 13 3HG2 VAL 13 5.223 1.562 1.595 111 H GLU 14 H GLU 14 4.318 5.934 4.390 112 HA GLU 14 HA GLU 14 2.741 5.190 6.536 113 1HB GLU 14 2HB GLU 14 3.661 7.765 5.434 114 2HB GLU 14 1HB GLU 14 2.203 7.890 6.420 115 1HG GLU 14 2HG GLU 14 3.425 6.476 8.162 116 2HG GLU 14 1HG GLU 14 4.890 6.759 7.221 117 H GLU 15 H GLU 15 1.484 7.625 4.260 118 HA GLU 15 HA GLU 15 -1.254 7.147 4.878 119 1HB GLU 15 2HB GLU 15 0.273 8.722 2.974 120 2HB GLU 15 1HB GLU 15 -1.178 8.053 2.227 121 1HG GLU 15 2HG GLU 15 -2.209 9.846 3.173 122 2HG GLU 15 1HG GLU 15 -2.166 8.862 4.638 123 H ALA 16 H ALA 16 0.862 5.723 2.398 124 HA ALA 16 HA ALA 16 -1.172 4.379 0.938 125 1HB ALA 16 1HB ALA 16 1.622 4.489 0.854 126 2HB ALA 16 3HB ALA 16 1.259 2.789 1.145 127 3HB ALA 16 2HB ALA 16 0.575 3.606 -0.257 128 H LYS 17 H LYS 17 1.072 2.459 2.949 129 HA LYS 17 HA LYS 17 -0.648 0.307 3.337 130 1HB LYS 17 2HB LYS 17 1.749 0.437 4.094 131 2HB LYS 17 1HB LYS 17 1.209 1.400 5.468 132 1HG LYS 17 2HG LYS 17 0.824 -0.534 6.559 133 2HG LYS 17 1HG LYS 17 -0.504 -0.819 5.433 134 1HD LYS 17 2HD LYS 17 0.623 -2.617 4.676 135 2HD LYS 17 1HD LYS 17 1.819 -1.503 4.012 136 1HE LYS 17 2HE LYS 17 1.888 -2.456 6.883 137 2HE LYS 17 1HE LYS 17 2.747 -3.278 5.580 138 1HZ LYS 17 3HZ LYS 17 3.161 -0.438 5.601 139 2HZ LYS 17 2HZ LYS 17 3.700 -1.193 7.024 140 3HZ LYS 17 1HZ LYS 17 4.295 -1.697 5.513 141 H LYS 18 H LYS 18 -0.632 3.402 4.990 142 HA LYS 18 HA LYS 18 -2.345 2.818 7.167 143 1HB LYS 18 2HB LYS 18 -1.677 5.260 5.577 144 2HB LYS 18 1HB LYS 18 -3.036 5.336 6.703 145 1HG LYS 18 2HG LYS 18 -1.645 4.703 8.566 146 2HG LYS 18 1HG LYS 18 -0.291 4.333 7.496 147 1HD LYS 18 2HD LYS 18 0.294 6.464 8.223 148 2HD LYS 18 1HD LYS 18 -0.590 6.844 6.745 149 1HE LYS 18 2HE LYS 18 -2.336 7.777 7.873 150 2HE LYS 18 1HE LYS 18 -2.265 6.581 9.167 151 1HZ LYS 18 1HZ LYS 18 0.050 7.952 9.464 152 2HZ LYS 18 3HZ LYS 18 -1.035 9.170 8.999 153 3HZ LYS 18 2HZ LYS 18 -1.368 8.212 10.363 154 H VAL 19 H VAL 19 -3.570 4.922 4.649 155 HA VAL 19 HA VAL 19 -6.282 4.185 5.005 156 HB VAL 19 HB VAL 19 -5.192 5.164 2.367 157 1HG1 VAL 19 1HG1 VAL 19 -7.736 4.716 3.249 158 2HG1 VAL 19 3HG1 VAL 19 -7.520 6.407 3.703 159 3HG1 VAL 19 2HG1 VAL 19 -7.317 5.911 2.023 160 1HG2 VAL 19 2HG2 VAL 19 -5.308 6.590 5.027 161 2HG2 VAL 19 1HG2 VAL 19 -3.983 6.550 3.862 162 3HG2 VAL 19 3HG2 VAL 19 -5.440 7.484 3.513 163 H ILE 20 H ILE 20 -3.893 2.983 2.680 164 HA ILE 20 HA ILE 20 -5.486 1.403 1.041 165 HB ILE 20 HB ILE 20 -2.751 0.792 2.194 166 1HG1 ILE 20 2HG1 ILE 20 -1.845 1.926 0.434 167 2HG1 ILE 20 1HG1 ILE 20 -3.100 1.409 -0.684 168 1HG2 ILE 20 2HG2 ILE 20 -4.563 -0.758 0.457 169 2HG2 ILE 20 1HG2 ILE 20 -2.913 -0.599 -0.146 170 3HG2 ILE 20 3HG2 ILE 20 -3.206 -1.300 1.446 171 1HD1 ILE 20 2HD1 ILE 20 -4.623 3.091 0.558 172 2HD1 ILE 20 1HD1 ILE 20 -3.130 3.732 1.242 173 3HD1 ILE 20 3HD1 ILE 20 -3.378 3.748 -0.499 174 H LEU 21 H LEU 21 -3.999 0.408 4.149 175 HA LEU 21 HA LEU 21 -4.859 -2.170 4.446 176 1HB LEU 21 2HB LEU 21 -3.697 -1.058 6.253 177 2HB LEU 21 1HB LEU 21 -5.055 0.045 6.506 178 HG LEU 21 HG LEU 21 -5.996 -2.679 6.596 179 1HD1 LEU 21 1HD1 LEU 21 -3.385 -2.194 7.812 180 2HD1 LEU 21 3HD1 LEU 21 -4.585 -2.706 8.999 181 3HD1 LEU 21 2HD1 LEU 21 -4.251 -3.715 7.591 182 1HD2 LEU 21 3HD2 LEU 21 -6.763 -0.361 7.652 183 2HD2 LEU 21 2HD2 LEU 21 -7.133 -1.887 8.456 184 3HD2 LEU 21 1HD2 LEU 21 -5.770 -0.910 9.004 185 H GLN 22 H GLN 22 -6.953 0.692 4.791 186 HA GLN 22 HA GLN 22 -9.278 -1.117 4.381 187 1HB GLN 22 2HB GLN 22 -8.631 0.227 6.843 188 2HB GLN 22 1HB GLN 22 -10.126 0.892 6.186 189 1HG GLN 22 2HG GLN 22 -11.205 -1.212 6.176 190 2HG GLN 22 1HG GLN 22 -9.683 -2.095 6.312 191 1HE2 GLN 22 2HE2 GLN 22 -11.332 -0.420 9.686 192 2HE2 GLN 22 1HE2 GLN 22 -11.812 0.140 8.158 193 H ASP 23 H ASP 23 -8.038 0.591 2.499 194 HA ASP 23 HA ASP 23 -9.065 3.184 2.219 195 1HB ASP 23 2HB ASP 23 -8.833 2.813 -0.232 196 2HB ASP 23 1HB ASP 23 -7.421 2.250 0.663 197 H LYS 24 H LYS 24 -10.566 0.083 1.314 198 HA LYS 24 HA LYS 24 -13.162 1.526 1.243 199 1HB LYS 24 2HB LYS 24 -13.427 -0.548 -0.629 200 2HB LYS 24 1HB LYS 24 -13.305 1.170 -0.967 201 1HG LYS 24 2HG LYS 24 -10.841 1.015 -0.999 202 2HG LYS 24 1HG LYS 24 -10.933 -0.713 -0.707 203 1HD LYS 24 2HD LYS 24 -11.819 0.813 -3.153 204 2HD LYS 24 1HD LYS 24 -10.616 -0.477 -3.048 205 1HE LYS 24 2HE LYS 24 -12.344 -2.109 -2.533 206 2HE LYS 24 1HE LYS 24 -13.569 -0.844 -2.452 207 1HZ LYS 24 3HZ LYS 24 -11.966 -1.454 -4.872 208 2HZ LYS 24 2HZ LYS 24 -13.531 -2.053 -4.589 209 3HZ LYS 24 1HZ LYS 24 -13.276 -0.382 -4.759 210 HA PRO 25 HA PRO 25 -14.277 -2.644 2.964 211 1HB PRO 25 2HB PRO 25 -13.094 -4.969 2.124 212 2HB PRO 25 1HB PRO 25 -14.423 -4.205 1.234 213 1HG PRO 25 2HG PRO 25 -11.549 -4.355 0.520 214 2HG PRO 25 1HG PRO 25 -12.947 -4.070 -0.524 215 1HD PRO 25 2HD PRO 25 -11.111 -2.107 0.489 216 2HD PRO 25 1HD PRO 25 -12.566 -1.848 -0.480 217 H GLU 26 H GLU 26 -11.188 -4.159 2.269 218 HA GLU 26 HA GLU 26 -9.772 -3.176 4.600 219 1HB GLU 26 2HB GLU 26 -10.286 -6.146 4.548 220 2HB GLU 26 1HB GLU 26 -9.701 -5.149 5.878 221 1HG GLU 26 2HG GLU 26 -11.918 -4.074 6.045 222 2HG GLU 26 1HG GLU 26 -12.501 -5.076 4.712 223 H ALA 27 H ALA 27 -8.839 -2.801 2.194 224 HA ALA 27 HA ALA 27 -7.435 -5.168 1.200 225 1HB ALA 27 1HB ALA 27 -7.987 -2.427 0.209 226 2HB ALA 27 3HB ALA 27 -6.468 -3.145 -0.327 227 3HB ALA 27 2HB ALA 27 -7.994 -3.962 -0.660 228 H GLN 28 H GLN 28 -5.462 -5.738 1.936 229 HA GLN 28 HA GLN 28 -3.889 -3.801 3.520 230 1HB GLN 28 2HB GLN 28 -4.276 -6.445 3.875 231 2HB GLN 28 1HB GLN 28 -2.826 -6.511 2.870 232 1HG GLN 28 2HG GLN 28 -1.658 -6.143 4.772 233 2HG GLN 28 1HG GLN 28 -2.259 -4.487 4.690 234 1HE2 GLN 28 1HE2 GLN 28 -1.730 -5.862 7.194 235 2HE2 GLN 28 2HE2 GLN 28 -3.213 -6.036 8.004 236 H ILE 29 H ILE 29 -1.351 -3.992 2.965 237 HA ILE 29 HA ILE 29 -0.959 -4.238 0.054 238 HB ILE 29 HB ILE 29 -1.723 -1.908 0.460 239 1HG1 ILE 29 2HG1 ILE 29 1.168 -1.759 -0.309 240 2HG1 ILE 29 1HG1 ILE 29 0.069 -2.736 -1.285 241 1HG2 ILE 29 2HG2 ILE 29 -0.685 -1.694 2.729 242 2HG2 ILE 29 1HG2 ILE 29 0.896 -1.623 1.951 243 3HG2 ILE 29 3HG2 ILE 29 -0.293 -0.354 1.649 244 1HD1 ILE 29 2HD1 ILE 29 -0.568 0.118 -0.527 245 2HD1 ILE 29 1HD1 ILE 29 0.327 -0.284 -1.991 246 3HD1 ILE 29 3HD1 ILE 29 -1.322 -0.866 -1.779 247 H ILE 30 H ILE 30 1.055 -4.847 -0.485 248 HA ILE 30 HA ILE 30 2.977 -5.401 1.686 249 HB ILE 30 HB ILE 30 2.475 -6.339 -1.085 250 1HG1 ILE 30 2HG1 ILE 30 3.517 -7.574 1.475 251 2HG1 ILE 30 1HG1 ILE 30 1.905 -7.753 0.783 252 1HG2 ILE 30 2HG2 ILE 30 4.781 -5.358 -1.258 253 2HG2 ILE 30 1HG2 ILE 30 5.289 -6.456 0.029 254 3HG2 ILE 30 3HG2 ILE 30 4.725 -7.101 -1.515 255 1HD1 ILE 30 2HD1 ILE 30 2.902 -8.862 -1.205 256 2HD1 ILE 30 1HD1 ILE 30 4.494 -8.733 -0.456 257 3HD1 ILE 30 3HD1 ILE 30 3.251 -9.741 0.285 258 H VAL 31 H VAL 31 5.180 -4.541 1.565 259 HA VAL 31 HA VAL 31 5.458 -2.266 -0.332 260 HB VAL 31 HB VAL 31 4.753 -1.321 1.806 261 1HG1 VAL 31 1HG1 VAL 31 6.228 -3.462 2.871 262 2HG1 VAL 31 3HG1 VAL 31 7.101 -2.011 3.366 263 3HG1 VAL 31 2HG1 VAL 31 5.398 -2.199 3.779 264 1HG2 VAL 31 3HG2 VAL 31 6.655 -0.291 0.385 265 2HG2 VAL 31 2HG2 VAL 31 6.485 0.278 2.045 266 3HG2 VAL 31 1HG2 VAL 31 7.737 -0.893 1.641 267 H LEU 32 H LEU 32 7.458 -2.116 -1.253 268 HA LEU 32 HA LEU 32 9.784 -3.358 0.062 269 1HB LEU 32 2HB LEU 32 10.368 -4.717 -1.948 270 2HB LEU 32 1HB LEU 32 8.912 -5.269 -1.144 271 HG LEU 32 HG LEU 32 9.009 -3.576 -3.633 272 1HD1 LEU 32 1HD1 LEU 32 8.571 -6.495 -3.039 273 2HD1 LEU 32 3HD1 LEU 32 7.813 -5.766 -4.454 274 3HD1 LEU 32 2HD1 LEU 32 9.569 -5.763 -4.293 275 1HD2 LEU 32 2HD2 LEU 32 6.837 -4.331 -1.749 276 2HD2 LEU 32 1HD2 LEU 32 6.943 -2.950 -2.843 277 3HD2 LEU 32 3HD2 LEU 32 6.468 -4.533 -3.463 278 HA PRO 33 HA PRO 33 11.740 0.029 -1.856 279 1HB PRO 33 2HB PRO 33 14.337 -0.828 -1.679 280 2HB PRO 33 1HB PRO 33 13.397 -0.261 -0.288 281 1HG PRO 33 2HG PRO 33 14.142 -3.054 -1.040 282 2HG PRO 33 1HG PRO 33 13.840 -2.366 0.567 283 1HD PRO 33 2HD PRO 33 12.024 -3.940 -0.913 284 2HD PRO 33 1HD PRO 33 11.617 -2.939 0.497 285 H VAL 34 H VAL 34 10.658 -1.282 -3.969 286 HA VAL 34 HA VAL 34 11.003 -2.008 -6.180 287 HB VAL 34 HB VAL 34 13.304 -0.047 -5.937 288 1HG1 VAL 34 3HG1 VAL 34 13.032 -1.473 -8.046 289 2HG1 VAL 34 2HG1 VAL 34 11.512 -0.615 -8.304 290 3HG1 VAL 34 1HG1 VAL 34 13.035 0.275 -8.287 291 1HG2 VAL 34 3HG2 VAL 34 10.473 0.334 -5.543 292 2HG2 VAL 34 2HG2 VAL 34 11.763 1.533 -5.483 293 3HG2 VAL 34 1HG2 VAL 34 10.975 1.165 -7.016 294 H GLY 35 H GLY 35 14.458 -1.390 -5.864 295 1HA GLY 35 2HA GLY 35 16.236 -2.884 -6.278 296 2HA GLY 35 1HA GLY 35 15.492 -3.774 -4.948 297 H THR 36 H THR 36 15.990 -5.819 -5.887 298 HA THR 36 HA THR 36 14.798 -6.417 -8.538 299 HB THR 36 HB THR 36 17.028 -7.271 -8.270 300 HG1 THR 36 HG1 THR 36 16.032 -8.862 -9.261 301 1HG2 THR 36 1HG2 THR 36 15.983 -8.336 -5.640 302 2HG2 THR 36 3HG2 THR 36 17.496 -8.887 -6.360 303 3HG2 THR 36 2HG2 THR 36 17.304 -7.195 -5.897 304 H ILE 37 H ILE 37 13.381 -8.307 -8.754 305 HA ILE 37 HA ILE 37 11.320 -8.379 -6.752 306 HB ILE 37 HB ILE 37 10.841 -8.847 -9.112 307 1HG1 ILE 37 2HG1 ILE 37 10.165 -11.507 -8.279 308 2HG1 ILE 37 1HG1 ILE 37 10.013 -10.433 -6.888 309 1HG2 ILE 37 3HG2 ILE 37 13.025 -9.961 -9.590 310 2HG2 ILE 37 2HG2 ILE 37 12.469 -11.373 -8.691 311 3HG2 ILE 37 1HG2 ILE 37 11.647 -10.893 -10.176 312 1HD1 ILE 37 3HD1 ILE 37 8.943 -9.066 -9.150 313 2HD1 ILE 37 2HD1 ILE 37 8.248 -10.687 -9.127 314 3HD1 ILE 37 1HD1 ILE 37 8.083 -9.637 -7.721 315 H VAL 38 H VAL 38 14.068 -10.501 -7.483 316 HA VAL 38 HA VAL 38 13.254 -12.479 -5.486 317 HB VAL 38 HB VAL 38 14.530 -13.301 -7.347 318 1HG1 VAL 38 3HG1 VAL 38 16.349 -11.005 -6.651 319 2HG1 VAL 38 2HG1 VAL 38 16.970 -12.395 -7.543 320 3HG1 VAL 38 1HG1 VAL 38 15.654 -11.431 -8.214 321 1HG2 VAL 38 1HG2 VAL 38 15.328 -13.634 -4.679 322 2HG2 VAL 38 3HG2 VAL 38 15.747 -14.681 -6.035 323 3HG2 VAL 38 2HG2 VAL 38 16.831 -13.370 -5.566 324 H THR 39 H THR 39 13.661 -12.308 -3.337 325 HA THR 39 HA THR 39 14.488 -11.431 -1.321 326 HB THR 39 HB THR 39 16.984 -11.418 -3.041 327 HG1 THR 39 HG1 THR 39 16.224 -13.461 -2.645 328 1HG2 THR 39 1HG2 THR 39 16.576 -10.834 -0.107 329 2HG2 THR 39 3HG2 THR 39 18.123 -11.394 -0.743 330 3HG2 THR 39 2HG2 THR 39 17.441 -9.867 -1.301 331 1H GLU 41 1H GLU 41 -12.054 -8.167 -10.687 332 2H GLU 41 3H GLU 41 -10.565 -7.974 -9.900 333 3H GLU 41 2H GLU 41 -10.659 -8.902 -11.320 334 HA GLU 41 HA GLU 41 -11.991 -10.553 -10.225 335 1HB GLU 41 2HB GLU 41 -9.521 -9.772 -8.651 336 2HB GLU 41 1HB GLU 41 -10.294 -11.356 -8.607 337 1HG GLU 41 2HG GLU 41 -9.105 -10.034 -11.065 338 2HG GLU 41 1HG GLU 41 -8.392 -11.375 -10.167 339 H TYR 42 H TYR 42 -10.790 -9.946 -7.141 340 HA TYR 42 HA TYR 42 -13.434 -8.854 -6.280 341 1HB TYR 42 2HB TYR 42 -13.259 -10.226 -4.259 342 2HB TYR 42 1HB TYR 42 -13.139 -11.254 -5.688 343 HD1 TYR 42 HD1 TYR 42 -10.735 -11.738 -6.578 344 HD2 TYR 42 HD2 TYR 42 -11.585 -10.321 -2.615 345 HE1 TYR 42 HE1 TYR 42 -8.535 -12.562 -5.815 346 HE2 TYR 42 HE2 TYR 42 -9.380 -11.145 -1.850 347 HH TYR 42 HH TYR 42 -7.691 -13.287 -3.086 348 H ARG 43 H ARG 43 -12.632 -8.608 -3.524 349 HA ARG 43 HA ARG 43 -10.972 -6.174 -3.789 350 1HB ARG 43 2HB ARG 43 -11.753 -5.594 -1.603 351 2HB ARG 43 1HB ARG 43 -13.145 -6.267 -2.453 352 1HG ARG 43 2HG ARG 43 -12.125 -8.536 -1.390 353 2HG ARG 43 1HG ARG 43 -11.604 -7.379 -0.164 354 1HD ARG 43 2HD ARG 43 -14.133 -6.531 -0.467 355 2HD ARG 43 1HD ARG 43 -14.363 -8.214 -0.942 356 HE ARG 43 HE ARG 43 -13.299 -7.349 1.714 357 1HH1 ARG 43 2HH1 ARG 43 -13.578 -10.066 -0.209 358 2HH1 ARG 43 1HH1 ARG 43 -14.472 -11.009 0.936 359 1HH2 ARG 43 1HH2 ARG 43 -14.990 -8.360 3.114 360 2HH2 ARG 43 2HH2 ARG 43 -15.275 -10.043 2.817 361 H ILE 44 H ILE 44 -9.250 -8.157 -4.286 362 HA ILE 44 HA ILE 44 -8.103 -9.668 -2.254 363 HB ILE 44 HB ILE 44 -7.120 -9.757 -4.457 364 1HG1 ILE 44 2HG1 ILE 44 -4.750 -8.550 -3.346 365 2HG1 ILE 44 1HG1 ILE 44 -5.634 -9.377 -2.060 366 1HG2 ILE 44 1HG2 ILE 44 -7.596 -7.192 -4.760 367 2HG2 ILE 44 3HG2 ILE 44 -5.967 -6.999 -4.110 368 3HG2 ILE 44 2HG2 ILE 44 -6.221 -7.916 -5.595 369 1HD1 ILE 44 2HD1 ILE 44 -5.835 -11.223 -4.043 370 2HD1 ILE 44 1HD1 ILE 44 -4.277 -10.501 -4.447 371 3HD1 ILE 44 3HD1 ILE 44 -4.532 -11.215 -2.856 372 H ASP 45 H ASP 45 -6.761 -9.229 -0.485 373 HA ASP 45 HA ASP 45 -6.667 -6.361 0.246 374 1HB ASP 45 2HB ASP 45 -6.746 -7.010 2.494 375 2HB ASP 45 1HB ASP 45 -7.741 -8.230 1.697 376 H ARG 46 H ARG 46 -4.818 -6.971 -1.621 377 HA ARG 46 HA ARG 46 -2.309 -6.542 -0.128 378 1HB ARG 46 2HB ARG 46 -2.647 -9.072 -0.631 379 2HB ARG 46 1HB ARG 46 -2.330 -8.631 -2.310 380 1HG ARG 46 2HG ARG 46 -0.244 -7.398 -1.333 381 2HG ARG 46 1HG ARG 46 -0.497 -8.439 0.069 382 1HD ARG 46 2HD ARG 46 -0.717 -10.008 -2.335 383 2HD ARG 46 1HD ARG 46 0.800 -9.107 -2.360 384 HE ARG 46 HE ARG 46 1.487 -10.276 -0.365 385 1HH1 ARG 46 2HH1 ARG 46 -0.573 -12.040 -2.214 386 2HH1 ARG 46 1HH1 ARG 46 -1.181 -13.054 -0.948 387 1HH2 ARG 46 1HH2 ARG 46 0.241 -11.178 1.597 388 2HH2 ARG 46 2HH2 ARG 46 -0.718 -12.567 1.210 389 H VAL 47 H VAL 47 -0.799 -5.335 -1.396 390 HA VAL 47 HA VAL 47 -1.418 -4.839 -4.237 391 HB VAL 47 HB VAL 47 -0.993 -2.269 -2.946 392 1HG1 VAL 47 2HG1 VAL 47 -1.976 -3.042 -5.256 393 2HG1 VAL 47 1HG1 VAL 47 -3.492 -3.122 -4.359 394 3HG1 VAL 47 3HG1 VAL 47 -2.612 -1.597 -4.470 395 1HG2 VAL 47 3HG2 VAL 47 -3.398 -3.898 -2.077 396 2HG2 VAL 47 2HG2 VAL 47 -2.164 -3.199 -1.028 397 3HG2 VAL 47 1HG2 VAL 47 -3.276 -2.147 -1.906 398 H ARG 48 H ARG 48 0.421 -4.167 -5.393 399 HA ARG 48 HA ARG 48 2.970 -4.613 -4.044 400 1HB ARG 48 2HB ARG 48 2.192 -3.922 -6.871 401 2HB ARG 48 1HB ARG 48 3.881 -3.975 -6.357 402 1HG ARG 48 2HG ARG 48 2.000 -6.273 -5.813 403 2HG ARG 48 1HG ARG 48 2.878 -6.146 -7.335 404 1HD ARG 48 2HD ARG 48 4.980 -5.817 -5.834 405 2HD ARG 48 1HD ARG 48 3.982 -6.507 -4.550 406 HE ARG 48 HE ARG 48 3.680 -8.286 -6.657 407 1HH1 ARG 48 2HH1 ARG 48 6.428 -6.772 -5.225 408 2HH1 ARG 48 1HH1 ARG 48 7.422 -8.185 -5.330 409 1HH2 ARG 48 1HH2 ARG 48 4.925 -10.176 -6.670 410 2HH2 ARG 48 2HH2 ARG 48 6.572 -10.110 -6.138 411 H LEU 49 H LEU 49 3.086 -2.848 -2.524 412 HA LEU 49 HA LEU 49 3.194 -0.135 -3.695 413 1HB LEU 49 2HB LEU 49 2.089 -0.255 -1.540 414 2HB LEU 49 1HB LEU 49 3.476 -1.072 -0.828 415 HG LEU 49 HG LEU 49 4.801 0.853 -0.849 416 1HD1 LEU 49 3HD1 LEU 49 2.972 1.783 -3.069 417 2HD1 LEU 49 2HD1 LEU 49 4.042 2.908 -2.232 418 3HD1 LEU 49 1HD1 LEU 49 4.720 1.540 -3.119 419 1HD2 LEU 49 3HD2 LEU 49 2.881 1.129 0.694 420 2HD2 LEU 49 2HD2 LEU 49 3.424 2.681 0.056 421 3HD2 LEU 49 1HD2 LEU 49 1.971 1.920 -0.593 422 H PHE 50 H PHE 50 5.028 -0.077 -4.884 423 HA PHE 50 HA PHE 50 7.597 -0.995 -3.731 424 1HB PHE 50 2HB PHE 50 6.573 -0.117 -6.415 425 2HB PHE 50 1HB PHE 50 8.310 -0.003 -6.094 426 HD1 PHE 50 HD2 PHE 50 9.498 -2.071 -5.218 427 HD2 PHE 50 HD1 PHE 50 5.579 -2.207 -6.958 428 HE1 PHE 50 HE2 PHE 50 9.769 -4.497 -5.625 429 HE2 PHE 50 HE1 PHE 50 5.850 -4.634 -7.381 430 HZ PHE 50 HZ PHE 50 7.947 -5.781 -6.716 431 H VAL 51 H VAL 51 8.497 0.528 -2.338 432 HA VAL 51 HA VAL 51 7.966 3.383 -2.811 433 HB VAL 51 HB VAL 51 9.580 3.482 -0.676 434 1HG1 VAL 51 1HG1 VAL 51 7.037 3.985 -1.027 435 2HG1 VAL 51 3HG1 VAL 51 6.802 2.416 -0.258 436 3HG1 VAL 51 2HG1 VAL 51 7.640 3.703 0.607 437 1HG2 VAL 51 3HG2 VAL 51 9.939 0.948 -0.918 438 2HG2 VAL 51 2HG2 VAL 51 9.471 1.525 0.682 439 3HG2 VAL 51 1HG2 VAL 51 8.272 0.771 -0.368 440 H ASP 52 H ASP 52 9.887 4.890 -2.425 441 HA ASP 52 HA ASP 52 11.980 4.108 -4.355 442 1HB ASP 52 2HB ASP 52 12.228 6.371 -4.806 443 2HB ASP 52 1HB ASP 52 10.547 6.347 -4.275 444 H LYS 53 H LYS 53 13.865 6.072 -3.314 445 HA LYS 53 HA LYS 53 15.254 4.399 -1.398 446 1HB LYS 53 2HB LYS 53 15.933 7.235 -2.105 447 2HB LYS 53 1HB LYS 53 17.037 5.895 -1.780 448 1HG LYS 53 2HG LYS 53 15.478 5.060 -3.968 449 2HG LYS 53 1HG LYS 53 15.853 6.750 -4.300 450 1HD LYS 53 2HD LYS 53 18.217 6.356 -4.112 451 2HD LYS 53 1HD LYS 53 17.957 4.741 -3.453 452 1HE LYS 53 2HE LYS 53 16.712 5.264 -6.093 453 2HE LYS 53 1HE LYS 53 18.473 5.209 -6.077 454 1HZ LYS 53 1HZ LYS 53 18.171 3.080 -4.741 455 2HZ LYS 53 3HZ LYS 53 16.561 3.105 -5.273 456 3HZ LYS 53 2HZ LYS 53 17.825 3.014 -6.403 457 H LEU 54 H LEU 54 13.751 7.635 -1.372 458 HA LEU 54 HA LEU 54 13.967 7.729 1.586 459 1HB LEU 54 2HB LEU 54 14.089 9.675 -0.458 460 2HB LEU 54 1HB LEU 54 12.581 9.975 0.406 461 HG LEU 54 HG LEU 54 14.531 9.394 2.377 462 1HD1 LEU 54 3HD1 LEU 54 15.505 11.201 0.164 463 2HD1 LEU 54 2HD1 LEU 54 16.084 11.379 1.820 464 3HD1 LEU 54 1HD1 LEU 54 16.359 9.872 0.947 465 1HD2 LEU 54 3HD2 LEU 54 13.314 12.025 1.473 466 2HD2 LEU 54 2HD2 LEU 54 12.595 10.897 2.624 467 3HD2 LEU 54 1HD2 LEU 54 14.087 11.745 3.033 468 H ASP 55 H ASP 55 12.172 5.791 0.481 469 HA ASP 55 HA ASP 55 9.917 5.127 0.540 470 1HB ASP 55 2HB ASP 55 8.835 6.684 2.606 471 2HB ASP 55 1HB ASP 55 9.553 5.080 2.768 472 H ASN 56 H ASN 56 9.854 6.504 -1.538 473 HA ASN 56 HA ASN 56 7.747 8.590 -1.211 474 1HB ASN 56 2HB ASN 56 9.855 9.696 -1.798 475 2HB ASN 56 1HB ASN 56 10.076 8.591 -3.158 476 1HD2 ASN 56 2HD2 ASN 56 7.682 11.830 -3.579 477 2HD2 ASN 56 1HD2 ASN 56 8.542 11.538 -2.145 478 H ILE 57 H ILE 57 6.115 7.199 -1.682 479 HA ILE 57 HA ILE 57 5.834 5.135 -3.435 480 HB ILE 57 HB ILE 57 3.771 7.343 -3.307 481 1HG1 ILE 57 2HG1 ILE 57 4.568 5.248 -1.272 482 2HG1 ILE 57 1HG1 ILE 57 4.355 6.980 -1.026 483 1HG2 ILE 57 2HG2 ILE 57 3.625 4.329 -3.630 484 2HG2 ILE 57 1HG2 ILE 57 2.225 5.392 -3.469 485 3HG2 ILE 57 3HG2 ILE 57 3.283 5.535 -4.872 486 1HD1 ILE 57 3HD1 ILE 57 1.884 6.434 -1.856 487 2HD1 ILE 57 2HD1 ILE 57 2.289 4.831 -1.248 488 3HD1 ILE 57 1HD1 ILE 57 2.347 6.223 -0.168 489 H ALA 58 H ALA 58 7.240 5.442 -5.251 490 HA ALA 58 HA ALA 58 6.521 7.555 -7.195 491 1HB ALA 58 1HB ALA 58 8.925 6.936 -6.789 492 2HB ALA 58 3HB ALA 58 8.581 5.339 -7.455 493 3HB ALA 58 2HB ALA 58 8.441 6.770 -8.476 494 H GLN 59 H GLN 59 5.869 4.256 -6.489 495 HA GLN 59 HA GLN 59 4.524 3.931 -9.143 496 1HB GLN 59 2HB GLN 59 6.252 2.140 -7.589 497 2HB GLN 59 1HB GLN 59 4.721 1.390 -8.041 498 1HG GLN 59 2HG GLN 59 5.310 1.268 -10.220 499 2HG GLN 59 1HG GLN 59 5.905 2.930 -10.229 500 1HE2 GLN 59 2HE2 GLN 59 8.522 -0.106 -9.295 501 2HE2 GLN 59 1HE2 GLN 59 6.855 -0.361 -9.105 502 H VAL 60 H VAL 60 2.415 4.466 -8.712 503 HA VAL 60 HA VAL 60 1.141 4.229 -6.181 504 HB VAL 60 HB VAL 60 0.077 4.458 -8.997 505 1HG1 VAL 60 2HG1 VAL 60 -1.348 3.662 -6.587 506 2HG1 VAL 60 1HG1 VAL 60 -1.966 5.185 -7.228 507 3HG1 VAL 60 3HG1 VAL 60 -1.929 3.748 -8.249 508 1HG2 VAL 60 3HG2 VAL 60 1.274 6.300 -7.431 509 2HG2 VAL 60 2HG2 VAL 60 -0.012 6.708 -8.568 510 3HG2 VAL 60 1HG2 VAL 60 -0.386 6.475 -6.861 511 HA PRO 61 HA PRO 61 0.279 -0.140 -6.219 512 1HB PRO 61 2HB PRO 61 -1.170 -0.150 -3.882 513 2HB PRO 61 1HB PRO 61 0.601 -0.082 -3.928 514 1HG PRO 61 2HG PRO 61 -1.342 2.086 -3.296 515 2HG PRO 61 1HG PRO 61 0.346 1.911 -2.792 516 1HD PRO 61 2HD PRO 61 -0.615 3.605 -4.858 517 2HD PRO 61 1HD PRO 61 1.084 3.200 -4.535 518 H ARG 62 H ARG 62 -1.758 -1.507 -6.283 519 HA ARG 62 HA ARG 62 -4.285 -0.010 -6.613 520 1HB ARG 62 2HB ARG 62 -2.658 -0.727 -8.835 521 2HB ARG 62 1HB ARG 62 -4.072 -1.779 -8.855 522 1HG ARG 62 2HG ARG 62 -4.799 0.116 -10.050 523 2HG ARG 62 1HG ARG 62 -5.428 0.395 -8.426 524 1HD ARG 62 2HD ARG 62 -4.150 2.329 -9.649 525 2HD ARG 62 1HD ARG 62 -3.827 2.030 -7.943 526 HE ARG 62 HE ARG 62 -1.673 1.184 -8.535 527 1HH1 ARG 62 1HH2 ARG 62 -2.142 -0.564 -10.783 528 2HH1 ARG 62 2HH2 ARG 62 -1.543 0.324 -12.144 529 1HH2 ARG 62 2HH1 ARG 62 -1.570 3.377 -10.500 530 2HH2 ARG 62 1HH1 ARG 62 -1.219 2.557 -11.985 531 H VAL 63 H VAL 63 -5.913 -1.210 -5.756 532 HA VAL 63 HA VAL 63 -5.421 -4.127 -5.356 533 HB VAL 63 HB VAL 63 -6.795 -2.007 -3.781 534 1HG1 VAL 63 1HG1 VAL 63 -7.759 -4.884 -3.783 535 2HG1 VAL 63 3HG1 VAL 63 -8.207 -3.663 -2.588 536 3HG1 VAL 63 2HG1 VAL 63 -8.701 -3.473 -4.273 537 1HG2 VAL 63 2HG2 VAL 63 -4.802 -4.109 -3.458 538 2HG2 VAL 63 1HG2 VAL 63 -5.067 -2.664 -2.483 539 3HG2 VAL 63 3HG2 VAL 63 -5.993 -4.128 -2.158 540 H GLY 64 H GLY 64 -7.144 -5.607 -5.864 541 1HA GLY 64 2HA GLY 64 -9.637 -5.571 -6.641 542 2HA GLY 64 1HA GLY 64 -9.012 -4.542 -7.932 No H/Q in entry = 542 Start of MODEL 6 Raw file had 552 H/Q atoms Start of MODEL 6 1 1H MET 1 1H MET 1 -13.317 6.192 -2.645 2 2H MET 1 3H MET 1 -14.844 5.454 -2.718 3 3H MET 1 2H MET 1 -13.650 4.832 -1.682 4 HA MET 1 HA MET 1 -13.571 3.365 -3.445 5 1HB MET 1 2HB MET 1 -14.111 5.840 -5.080 6 2HB MET 1 1HB MET 1 -13.468 4.383 -5.837 7 1HG MET 1 2HG MET 1 -15.377 3.095 -4.840 8 2HG MET 1 1HG MET 1 -16.051 4.622 -4.270 9 1HE MET 1 3HE MET 1 -17.808 2.941 -5.711 10 2HE MET 1 2HE MET 1 -17.986 3.068 -7.459 11 3HE MET 1 1HE MET 1 -16.685 2.092 -6.783 12 H LYS 2 H LYS 2 -11.525 4.366 -1.904 13 HA LYS 2 HA LYS 2 -9.379 5.348 -3.660 14 1HB LYS 2 2HB LYS 2 -9.722 4.847 -0.735 15 2HB LYS 2 1HB LYS 2 -8.080 4.805 -1.382 16 1HG LYS 2 2HG LYS 2 -9.974 7.077 -1.994 17 2HG LYS 2 1HG LYS 2 -8.943 7.085 -0.563 18 1HD LYS 2 2HD LYS 2 -6.946 6.937 -1.917 19 2HD LYS 2 1HD LYS 2 -7.900 6.691 -3.380 20 1HE LYS 2 2HE LYS 2 -7.186 9.012 -3.304 21 2HE LYS 2 1HE LYS 2 -8.927 8.948 -3.025 22 1HZ LYS 2 3HZ LYS 2 -8.422 8.969 -0.609 23 2HZ LYS 2 2HZ LYS 2 -6.791 9.256 -0.990 24 3HZ LYS 2 1HZ LYS 2 -7.979 10.393 -1.417 25 H THR 3 H THR 3 -9.688 3.298 -5.039 26 HA THR 3 HA THR 3 -8.339 0.921 -3.845 27 HB THR 3 HB THR 3 -9.291 0.724 -6.622 28 HG1 THR 3 HG1 THR 3 -11.512 0.609 -5.779 29 1HG2 THR 3 3HG2 THR 3 -9.689 -0.818 -4.053 30 2HG2 THR 3 2HG2 THR 3 -10.406 -1.299 -5.589 31 3HG2 THR 3 1HG2 THR 3 -8.653 -1.247 -5.412 32 H GLU 4 H GLU 4 -7.909 3.483 -6.160 33 HA GLU 4 HA GLU 4 -5.560 2.146 -7.372 34 1HB GLU 4 2HB GLU 4 -7.008 4.749 -7.931 35 2HB GLU 4 1HB GLU 4 -5.497 4.316 -8.730 36 1HG GLU 4 2HG GLU 4 -6.907 2.017 -9.094 37 2HG GLU 4 1HG GLU 4 -8.218 3.196 -9.108 38 H TRP 5 H TRP 5 -6.348 5.072 -5.527 39 HA TRP 5 HA TRP 5 -4.977 6.372 -4.141 40 1HB TRP 5 2HB TRP 5 -3.008 4.088 -4.437 41 2HB TRP 5 1HB TRP 5 -3.016 5.321 -3.174 42 HD1 TRP 5 HD1 TRP 5 -5.434 5.357 -1.696 43 HE1 TRP 5 HE1 TRP 5 -6.693 3.327 -0.751 44 HE3 TRP 5 HE3 TRP 5 -3.570 1.659 -4.708 45 HZ2 TRP 5 HZ2 TRP 5 -6.877 0.509 -1.186 46 HZ3 TRP 5 HZ3 TRP 5 -4.295 -0.683 -4.397 47 HH2 TRP 5 HH2 TRP 5 -5.944 -1.255 -2.642 48 HA PRO 6 HA PRO 6 -2.213 7.050 -7.928 49 1HB PRO 6 2HB PRO 6 -3.774 8.793 -9.387 50 2HB PRO 6 1HB PRO 6 -3.760 7.042 -9.669 51 1HG PRO 6 2HG PRO 6 -5.818 8.707 -8.277 52 2HG PRO 6 1HG PRO 6 -6.023 7.204 -9.193 53 1HD PRO 6 2HD PRO 6 -5.986 7.382 -6.391 54 2HD PRO 6 1HD PRO 6 -5.712 5.904 -7.329 55 H GLU 7 H GLU 7 -4.460 8.924 -6.131 56 HA GLU 7 HA GLU 7 -3.003 11.444 -6.202 57 1HB GLU 7 2HB GLU 7 -5.467 10.531 -5.159 58 2HB GLU 7 1HB GLU 7 -4.521 11.073 -3.770 59 1HG GLU 7 2HG GLU 7 -4.361 12.861 -6.108 60 2HG GLU 7 1HG GLU 7 -5.973 12.739 -5.402 61 H LEU 8 H LEU 8 -2.533 8.427 -4.677 62 HA LEU 8 HA LEU 8 -1.115 9.487 -2.356 63 1HB LEU 8 2HB LEU 8 -1.900 7.457 -1.702 64 2HB LEU 8 1HB LEU 8 -2.024 6.878 -3.355 65 HG LEU 8 HG LEU 8 0.666 7.132 -2.022 66 1HD1 LEU 8 2HD1 LEU 8 -1.292 4.827 -1.847 67 2HD1 LEU 8 1HD1 LEU 8 0.408 4.724 -1.400 68 3HD1 LEU 8 3HD1 LEU 8 -0.676 5.785 -0.501 69 1HD2 LEU 8 2HD2 LEU 8 -0.542 5.728 -4.386 70 2HD2 LEU 8 1HD2 LEU 8 0.955 6.654 -4.291 71 3HD2 LEU 8 3HD2 LEU 8 0.879 5.030 -3.609 72 H VAL 9 H VAL 9 -0.407 9.213 -5.598 73 HA VAL 9 HA VAL 9 2.217 8.220 -5.710 74 HB VAL 9 HB VAL 9 0.860 10.454 -7.230 75 1HG1 VAL 9 2HG1 VAL 9 3.381 10.815 -7.062 76 2HG1 VAL 9 1HG1 VAL 9 3.575 9.262 -7.879 77 3HG1 VAL 9 3HG1 VAL 9 2.767 10.596 -8.702 78 1HG2 VAL 9 1HG2 VAL 9 0.553 7.766 -7.380 79 2HG2 VAL 9 3HG2 VAL 9 0.364 8.834 -8.769 80 3HG2 VAL 9 2HG2 VAL 9 1.886 7.981 -8.511 81 H GLY 10 H GLY 10 4.259 9.251 -5.556 82 1HA GLY 10 2HA GLY 10 5.830 10.693 -4.610 83 2HA GLY 10 1HA GLY 10 4.625 11.963 -4.811 84 H LYS 11 H LYS 11 3.312 9.453 -2.955 85 HA LYS 11 HA LYS 11 3.692 11.089 -0.514 86 1HB LYS 11 2HB LYS 11 1.445 9.987 -1.457 87 2HB LYS 11 1HB LYS 11 2.020 8.613 -0.512 88 1HG LYS 11 2HG LYS 11 0.799 9.770 1.098 89 2HG LYS 11 1HG LYS 11 2.408 10.451 1.347 90 1HD LYS 11 2HD LYS 11 1.707 12.505 0.743 91 2HD LYS 11 1HD LYS 11 1.007 11.881 -0.751 92 1HE LYS 11 2HE LYS 11 -0.839 10.958 0.955 93 2HE LYS 11 1HE LYS 11 -0.283 12.339 1.900 94 1HZ LYS 11 1HZ LYS 11 -0.600 13.696 -0.154 95 2HZ LYS 11 3HZ LYS 11 -1.368 12.359 -0.858 96 3HZ LYS 11 2HZ LYS 11 -2.035 13.088 0.523 97 H SER 12 H SER 12 3.122 8.507 1.063 98 HA SER 12 HA SER 12 5.693 7.090 0.715 99 1HB SER 12 2HB SER 12 5.135 9.050 2.829 100 2HB SER 12 1HB SER 12 5.668 7.485 3.447 101 HG SER 12 HG SER 12 7.211 9.315 2.567 102 H VAL 13 H VAL 13 5.792 5.140 2.093 103 HA VAL 13 HA VAL 13 3.549 3.504 1.963 104 HB VAL 13 HB VAL 13 5.847 3.512 3.930 105 1HG1 VAL 13 3HG1 VAL 13 3.545 1.581 3.628 106 2HG1 VAL 13 2HG1 VAL 13 5.092 1.090 4.318 107 3HG1 VAL 13 1HG1 VAL 13 4.137 2.348 5.100 108 1HG2 VAL 13 1HG2 VAL 13 5.669 2.846 1.236 109 2HG2 VAL 13 3HG2 VAL 13 6.933 2.314 2.344 110 3HG2 VAL 13 2HG2 VAL 13 5.529 1.288 2.051 111 H GLU 14 H GLU 14 4.432 5.795 4.505 112 HA GLU 14 HA GLU 14 2.692 5.141 6.561 113 1HB GLU 14 2HB GLU 14 3.657 7.745 5.448 114 2HB GLU 14 1HB GLU 14 2.344 7.790 6.625 115 1HG GLU 14 2HG GLU 14 3.742 7.304 8.327 116 2HG GLU 14 1HG GLU 14 4.442 5.948 7.442 117 H GLU 15 H GLU 15 1.716 7.645 4.216 118 HA GLU 15 HA GLU 15 -1.064 7.399 4.698 119 1HB GLU 15 2HB GLU 15 0.355 9.130 3.279 120 2HB GLU 15 1HB GLU 15 -0.068 8.054 1.948 121 1HG GLU 15 2HG GLU 15 -2.317 8.713 3.737 122 2HG GLU 15 1HG GLU 15 -1.664 10.090 2.848 123 H ALA 16 H ALA 16 1.053 5.585 2.508 124 HA ALA 16 HA ALA 16 -1.019 4.297 1.023 125 1HB ALA 16 3HB ALA 16 1.839 4.095 1.262 126 2HB ALA 16 2HB ALA 16 1.142 2.475 1.311 127 3HB ALA 16 1HB ALA 16 0.805 3.538 -0.052 128 H LYS 17 H LYS 17 1.023 2.303 3.149 129 HA LYS 17 HA LYS 17 -0.834 0.318 3.681 130 1HB LYS 17 2HB LYS 17 1.522 1.378 5.086 131 2HB LYS 17 1HB LYS 17 0.361 0.598 6.160 132 1HG LYS 17 2HG LYS 17 1.091 -0.766 3.591 133 2HG LYS 17 1HG LYS 17 2.222 -0.835 4.943 134 1HD LYS 17 2HD LYS 17 -0.459 -1.337 5.889 135 2HD LYS 17 1HD LYS 17 -0.077 -2.433 4.560 136 1HE LYS 17 2HE LYS 17 2.258 -2.382 6.086 137 2HE LYS 17 1HE LYS 17 0.962 -2.402 7.284 138 1HZ LYS 17 1HZ LYS 17 -0.024 -4.262 5.930 139 2HZ LYS 17 3HZ LYS 17 1.451 -4.336 5.095 140 3HZ LYS 17 2HZ LYS 17 1.408 -4.634 6.765 141 H LYS 18 H LYS 18 -0.458 3.364 5.427 142 HA LYS 18 HA LYS 18 -2.279 3.203 7.475 143 1HB LYS 18 2HB LYS 18 -1.027 5.231 7.065 144 2HB LYS 18 1HB LYS 18 -1.844 5.477 5.519 145 1HG LYS 18 2HG LYS 18 -3.229 6.823 6.732 146 2HG LYS 18 1HG LYS 18 -3.981 5.310 7.236 147 1HD LYS 18 2HD LYS 18 -2.275 5.249 9.134 148 2HD LYS 18 1HD LYS 18 -1.885 6.916 8.708 149 1HE LYS 18 2HE LYS 18 -4.775 6.327 8.991 150 2HE LYS 18 1HE LYS 18 -3.838 6.234 10.483 151 1HZ LYS 18 2HZ LYS 18 -3.320 8.517 8.748 152 2HZ LYS 18 1HZ LYS 18 -4.820 8.501 9.546 153 3HZ LYS 18 3HZ LYS 18 -3.383 8.432 10.444 154 H VAL 19 H VAL 19 -3.337 4.812 4.498 155 HA VAL 19 HA VAL 19 -6.111 4.088 5.051 156 HB VAL 19 HB VAL 19 -5.286 5.189 2.393 157 1HG1 VAL 19 3HG1 VAL 19 -7.415 5.907 4.431 158 2HG1 VAL 19 2HG1 VAL 19 -7.260 6.612 2.823 159 3HG1 VAL 19 1HG1 VAL 19 -7.656 4.903 3.001 160 1HG2 VAL 19 3HG2 VAL 19 -4.924 6.582 5.058 161 2HG2 VAL 19 2HG2 VAL 19 -3.763 6.454 3.735 162 3HG2 VAL 19 1HG2 VAL 19 -5.184 7.484 3.566 163 H ILE 20 H ILE 20 -3.873 3.320 2.353 164 HA ILE 20 HA ILE 20 -5.378 1.684 0.777 165 HB ILE 20 HB ILE 20 -2.562 1.207 1.769 166 1HG1 ILE 20 2HG1 ILE 20 -3.663 2.162 -0.894 167 2HG1 ILE 20 1HG1 ILE 20 -3.052 3.230 0.371 168 1HG2 ILE 20 2HG2 ILE 20 -4.293 -0.391 -0.083 169 2HG2 ILE 20 1HG2 ILE 20 -2.579 -0.222 -0.462 170 3HG2 ILE 20 3HG2 ILE 20 -3.077 -0.946 1.067 171 1HD1 ILE 20 3HD1 ILE 20 -1.444 1.027 -0.951 172 2HD1 ILE 20 2HD1 ILE 20 -1.335 2.735 -1.370 173 3HD1 ILE 20 1HD1 ILE 20 -0.847 2.187 0.234 174 H LEU 21 H LEU 21 -4.220 0.858 4.024 175 HA LEU 21 HA LEU 21 -4.852 -1.903 4.028 176 1HB LEU 21 2HB LEU 21 -3.681 -0.998 5.908 177 2HB LEU 21 1HB LEU 21 -4.964 0.176 6.221 178 HG LEU 21 HG LEU 21 -5.853 -2.641 6.194 179 1HD1 LEU 21 3HD1 LEU 21 -4.030 -1.589 8.379 180 2HD1 LEU 21 2HD1 LEU 21 -4.953 -3.090 8.460 181 3HD1 LEU 21 1HD1 LEU 21 -3.660 -2.912 7.274 182 1HD2 LEU 21 3HD2 LEU 21 -6.703 -0.126 7.157 183 2HD2 LEU 21 2HD2 LEU 21 -7.513 -1.677 7.383 184 3HD2 LEU 21 1HD2 LEU 21 -6.366 -1.096 8.592 185 H GLN 22 H GLN 22 -6.996 0.805 5.032 186 HA GLN 22 HA GLN 22 -9.270 -1.031 4.401 187 1HB GLN 22 2HB GLN 22 -8.575 0.231 6.903 188 2HB GLN 22 1HB GLN 22 -10.154 0.790 6.351 189 1HG GLN 22 2HG GLN 22 -10.821 -1.600 5.980 190 2HG GLN 22 1HG GLN 22 -9.287 -2.100 6.693 191 1HE2 GLN 22 2HE2 GLN 22 -10.632 -0.138 9.762 192 2HE2 GLN 22 1HE2 GLN 22 -9.571 0.404 8.555 193 H ASP 23 H ASP 23 -8.800 0.395 2.309 194 HA ASP 23 HA ASP 23 -10.000 3.086 2.472 195 1HB ASP 23 2HB ASP 23 -9.501 1.721 -0.145 196 2HB ASP 23 1HB ASP 23 -9.223 3.403 0.310 197 H LYS 24 H LYS 24 -10.719 -0.031 0.900 198 HA LYS 24 HA LYS 24 -13.552 0.842 0.673 199 1HB LYS 24 2HB LYS 24 -12.020 -1.373 -0.721 200 2HB LYS 24 1HB LYS 24 -13.748 -1.076 -0.934 201 1HG LYS 24 2HG LYS 24 -13.380 0.731 -2.250 202 2HG LYS 24 1HG LYS 24 -12.046 1.306 -1.246 203 1HD LYS 24 2HD LYS 24 -11.288 0.600 -3.513 204 2HD LYS 24 1HD LYS 24 -10.542 -0.356 -2.233 205 1HE LYS 24 2HE LYS 24 -11.333 -1.827 -4.042 206 2HE LYS 24 1HE LYS 24 -12.251 -2.115 -2.566 207 1HZ LYS 24 3HZ LYS 24 -13.552 -0.082 -3.914 208 2HZ LYS 24 2HZ LYS 24 -13.176 -1.248 -5.092 209 3HZ LYS 24 1HZ LYS 24 -14.073 -1.684 -3.716 210 HA PRO 25 HA PRO 25 -14.438 -2.754 3.383 211 1HB PRO 25 2HB PRO 25 -13.567 -5.297 2.818 212 2HB PRO 25 1HB PRO 25 -15.002 -4.583 2.061 213 1HG PRO 25 2HG PRO 25 -12.308 -5.064 0.889 214 2HG PRO 25 1HG PRO 25 -13.879 -4.952 0.081 215 1HD PRO 25 2HD PRO 25 -11.913 -2.920 0.180 216 2HD PRO 25 1HD PRO 25 -13.599 -2.738 -0.347 217 H GLU 26 H GLU 26 -11.442 -4.378 2.361 218 HA GLU 26 HA GLU 26 -9.802 -3.178 4.454 219 1HB GLU 26 2HB GLU 26 -10.290 -6.158 4.662 220 2HB GLU 26 1HB GLU 26 -9.448 -5.110 5.800 221 1HG GLU 26 2HG GLU 26 -11.584 -3.954 6.300 222 2HG GLU 26 1HG GLU 26 -12.418 -5.033 5.178 223 H ALA 27 H ALA 27 -8.918 -2.855 2.112 224 HA ALA 27 HA ALA 27 -7.617 -5.264 1.058 225 1HB ALA 27 3HB ALA 27 -8.261 -2.590 0.048 226 2HB ALA 27 2HB ALA 27 -6.645 -3.125 -0.410 227 3HB ALA 27 1HB ALA 27 -8.052 -4.101 -0.840 228 H GLN 28 H GLN 28 -5.645 -5.868 1.778 229 HA GLN 28 HA GLN 28 -4.029 -3.951 3.335 230 1HB GLN 28 2HB GLN 28 -4.466 -6.687 3.522 231 2HB GLN 28 1HB GLN 28 -2.842 -6.578 2.836 232 1HG GLN 28 2HG GLN 28 -2.157 -5.062 4.646 233 2HG GLN 28 1HG GLN 28 -3.786 -5.105 5.320 234 1HE2 GLN 28 2HE2 GLN 28 -3.099 -8.850 5.843 235 2HE2 GLN 28 1HE2 GLN 28 -4.039 -8.067 4.667 236 H ILE 29 H ILE 29 -1.598 -3.978 2.881 237 HA ILE 29 HA ILE 29 -0.944 -4.468 0.054 238 HB ILE 29 HB ILE 29 -1.810 -2.126 0.164 239 1HG1 ILE 29 2HG1 ILE 29 1.171 -2.229 -0.353 240 2HG1 ILE 29 1HG1 ILE 29 -0.014 -2.974 -1.429 241 1HG2 ILE 29 3HG2 ILE 29 -0.253 -2.060 2.521 242 2HG2 ILE 29 2HG2 ILE 29 0.537 -0.970 1.382 243 3HG2 ILE 29 1HG2 ILE 29 -1.160 -0.727 1.802 244 1HD1 ILE 29 3HD1 ILE 29 -1.139 -0.772 -1.675 245 2HD1 ILE 29 2HD1 ILE 29 0.102 -0.041 -0.658 246 3HD1 ILE 29 1HD1 ILE 29 0.535 -0.722 -2.227 247 H ILE 30 H ILE 30 1.180 -4.959 -0.250 248 HA ILE 30 HA ILE 30 2.818 -5.379 2.161 249 HB ILE 30 HB ILE 30 2.876 -6.281 -0.699 250 1HG1 ILE 30 2HG1 ILE 30 3.144 -8.493 0.426 251 2HG1 ILE 30 1HG1 ILE 30 3.120 -7.668 1.985 252 1HG2 ILE 30 1HG2 ILE 30 5.251 -5.732 0.907 253 2HG2 ILE 30 3HG2 ILE 30 5.142 -7.424 0.421 254 3HG2 ILE 30 2HG2 ILE 30 5.118 -6.154 -0.802 255 1HD1 ILE 30 2HD1 ILE 30 0.887 -6.862 0.290 256 2HD1 ILE 30 1HD1 ILE 30 0.894 -8.600 0.592 257 3HD1 ILE 30 3HD1 ILE 30 0.873 -7.470 1.946 258 H VAL 31 H VAL 31 4.766 -4.298 2.536 259 HA VAL 31 HA VAL 31 5.239 -1.960 0.760 260 HB VAL 31 HB VAL 31 4.816 -1.308 3.057 261 1HG1 VAL 31 1HG1 VAL 31 6.370 -3.711 3.588 262 2HG1 VAL 31 3HG1 VAL 31 6.969 -2.342 4.522 263 3HG1 VAL 31 2HG1 VAL 31 5.281 -2.830 4.658 264 1HG2 VAL 31 1HG2 VAL 31 6.759 -0.280 1.696 265 2HG2 VAL 31 3HG2 VAL 31 6.750 0.012 3.435 266 3HG2 VAL 31 2HG2 VAL 31 7.820 -1.214 2.754 267 H LEU 32 H LEU 32 7.124 -1.815 -0.339 268 HA LEU 32 HA LEU 32 9.471 -3.410 0.462 269 1HB LEU 32 2HB LEU 32 9.556 -4.122 -2.092 270 2HB LEU 32 1HB LEU 32 8.649 -5.084 -0.938 271 HG LEU 32 HG LEU 32 7.432 -2.873 -2.603 272 1HD1 LEU 32 2HD1 LEU 32 8.403 -5.030 -3.762 273 2HD1 LEU 32 1HD1 LEU 32 6.990 -5.811 -3.061 274 3HD1 LEU 32 3HD1 LEU 32 6.783 -4.471 -4.182 275 1HD2 LEU 32 1HD2 LEU 32 6.456 -4.749 -0.520 276 2HD2 LEU 32 3HD2 LEU 32 5.802 -3.188 -1.020 277 3HD2 LEU 32 2HD2 LEU 32 5.438 -4.638 -1.956 278 HA PRO 33 HA PRO 33 11.511 -0.022 -1.294 279 1HB PRO 33 2HB PRO 33 13.837 -1.165 -2.204 280 2HB PRO 33 1HB PRO 33 13.467 -0.918 -0.490 281 1HG PRO 33 2HG PRO 33 13.437 -3.449 -2.062 282 2HG PRO 33 1HG PRO 33 13.702 -3.208 -0.327 283 1HD PRO 33 2HD PRO 33 11.293 -4.073 -1.545 284 2HD PRO 33 1HD PRO 33 11.484 -3.544 0.140 285 H VAL 34 H VAL 34 13.089 -2.057 -3.644 286 HA VAL 34 HA VAL 34 11.228 -1.651 -5.811 287 HB VAL 34 HB VAL 34 13.260 0.450 -5.233 288 1HG1 VAL 34 2HG1 VAL 34 14.168 -0.598 -7.286 289 2HG1 VAL 34 1HG1 VAL 34 12.600 -0.402 -8.069 290 3HG1 VAL 34 3HG1 VAL 34 13.539 1.019 -7.606 291 1HG2 VAL 34 2HG2 VAL 34 10.466 0.183 -6.202 292 2HG2 VAL 34 1HG2 VAL 34 11.168 1.373 -5.108 293 3HG2 VAL 34 3HG2 VAL 34 11.380 1.543 -6.851 294 H GLY 35 H GLY 35 14.561 -2.166 -4.754 295 1HA GLY 35 2HA GLY 35 15.896 -3.149 -6.924 296 2HA GLY 35 1HA GLY 35 16.003 -3.946 -5.356 297 H THR 36 H THR 36 16.156 -5.348 -7.827 298 HA THR 36 HA THR 36 13.811 -6.467 -8.838 299 HB THR 36 HB THR 36 15.523 -8.657 -8.634 300 HG1 THR 36 HG1 THR 36 17.281 -7.742 -7.902 301 1HG2 THR 36 1HG2 THR 36 14.367 -7.705 -10.650 302 2HG2 THR 36 3HG2 THR 36 15.614 -6.462 -10.720 303 3HG2 THR 36 2HG2 THR 36 16.045 -8.157 -10.947 304 H ILE 37 H ILE 37 12.130 -7.006 -7.485 305 HA ILE 37 HA ILE 37 10.967 -8.065 -5.741 306 HB ILE 37 HB ILE 37 13.090 -10.152 -6.324 307 1HG1 ILE 37 2HG1 ILE 37 10.394 -10.651 -7.288 308 2HG1 ILE 37 1HG1 ILE 37 11.020 -9.129 -7.924 309 1HG2 ILE 37 3HG2 ILE 37 10.713 -10.077 -4.538 310 2HG2 ILE 37 2HG2 ILE 37 10.926 -11.539 -5.499 311 3HG2 ILE 37 1HG2 ILE 37 12.198 -11.018 -4.394 312 1HD1 ILE 37 2HD1 ILE 37 13.184 -10.875 -8.117 313 2HD1 ILE 37 1HD1 ILE 37 11.798 -11.863 -8.578 314 3HD1 ILE 37 3HD1 ILE 37 12.140 -10.366 -9.444 315 H VAL 38 H VAL 38 13.879 -9.723 -4.714 316 HA VAL 38 HA VAL 38 14.261 -7.752 -2.522 317 HB VAL 38 HB VAL 38 14.220 -9.506 -0.823 318 1HG1 VAL 38 2HG1 VAL 38 11.804 -9.485 -2.654 319 2HG1 VAL 38 1HG1 VAL 38 11.795 -10.167 -1.028 320 3HG1 VAL 38 3HG1 VAL 38 12.089 -8.444 -1.259 321 1HG2 VAL 38 3HG2 VAL 38 13.832 -11.269 -3.239 322 2HG2 VAL 38 2HG2 VAL 38 14.993 -11.444 -1.924 323 3HG2 VAL 38 1HG2 VAL 38 13.287 -11.792 -1.646 324 H THR 39 H THR 39 16.306 -8.318 -1.256 325 HA THR 39 HA THR 39 18.351 -9.332 -3.179 326 HB THR 39 HB THR 39 19.580 -8.088 -0.935 327 HG1 THR 39 HG1 THR 39 18.042 -6.774 -0.367 328 1HG2 THR 39 3HG2 THR 39 20.290 -8.165 -3.360 329 2HG2 THR 39 2HG2 THR 39 19.075 -6.929 -3.685 330 3HG2 THR 39 1HG2 THR 39 20.426 -6.576 -2.607 331 1H GLU 41 3H GLU 41 -10.310 -7.818 -9.541 332 2H GLU 41 2H GLU 41 -10.594 -9.476 -9.789 333 3H GLU 41 1H GLU 41 -10.180 -8.477 -11.100 334 HA GLU 41 HA GLU 41 -12.236 -7.379 -11.070 335 1HB GLU 41 2HB GLU 41 -12.072 -10.252 -11.187 336 2HB GLU 41 1HB GLU 41 -13.639 -9.778 -10.530 337 1HG GLU 41 2HG GLU 41 -14.202 -8.527 -12.448 338 2HG GLU 41 1HG GLU 41 -12.524 -8.436 -12.989 339 H TYR 42 H TYR 42 -11.599 -9.188 -8.178 340 HA TYR 42 HA TYR 42 -13.964 -7.970 -6.847 341 1HB TYR 42 2HB TYR 42 -13.373 -9.575 -4.983 342 2HB TYR 42 1HB TYR 42 -13.781 -10.357 -6.506 343 HD1 TYR 42 HD2 TYR 42 -10.941 -9.294 -4.351 344 HD2 TYR 42 HD1 TYR 42 -12.195 -11.669 -7.701 345 HE1 TYR 42 HE2 TYR 42 -8.735 -10.408 -4.390 346 HE2 TYR 42 HE1 TYR 42 -9.986 -12.782 -7.738 347 HH TYR 42 HH TYR 42 -7.602 -12.164 -6.958 348 H ARG 43 H ARG 43 -12.676 -8.128 -4.175 349 HA ARG 43 HA ARG 43 -10.904 -5.743 -4.480 350 1HB ARG 43 2HB ARG 43 -11.621 -5.041 -2.297 351 2HB ARG 43 1HB ARG 43 -13.072 -5.476 -3.200 352 1HG ARG 43 2HG ARG 43 -12.246 -7.872 -2.011 353 2HG ARG 43 1HG ARG 43 -12.002 -6.653 -0.758 354 1HD ARG 43 2HD ARG 43 -14.390 -5.824 -1.540 355 2HD ARG 43 1HD ARG 43 -14.540 -7.474 -2.139 356 HE ARG 43 HE ARG 43 -13.612 -7.459 0.596 357 1HH1 ARG 43 2HH1 ARG 43 -16.094 -8.340 -1.443 358 2HH1 ARG 43 1HH1 ARG 43 -17.357 -8.239 -0.262 359 1HH2 ARG 43 1HH2 ARG 43 -15.353 -6.759 2.147 360 2HH2 ARG 43 2HH2 ARG 43 -16.938 -7.347 1.769 361 H ILE 44 H ILE 44 -9.248 -7.636 -4.914 362 HA ILE 44 HA ILE 44 -8.361 -9.386 -2.914 363 HB ILE 44 HB ILE 44 -7.204 -9.417 -5.028 364 1HG1 ILE 44 2HG1 ILE 44 -4.910 -8.279 -3.647 365 2HG1 ILE 44 1HG1 ILE 44 -5.885 -9.254 -2.541 366 1HG2 ILE 44 2HG2 ILE 44 -7.543 -6.721 -5.039 367 2HG2 ILE 44 1HG2 ILE 44 -5.831 -6.820 -4.625 368 3HG2 ILE 44 3HG2 ILE 44 -6.425 -7.561 -6.111 369 1HD1 ILE 44 1HD1 ILE 44 -5.827 -10.779 -4.866 370 2HD1 ILE 44 3HD1 ILE 44 -4.200 -10.103 -4.783 371 3HD1 ILE 44 2HD1 ILE 44 -4.833 -11.047 -3.435 372 H ASP 45 H ASP 45 -7.121 -9.124 -1.031 373 HA ASP 45 HA ASP 45 -6.951 -6.312 -0.124 374 1HB ASP 45 2HB ASP 45 -7.194 -7.091 2.078 375 2HB ASP 45 1HB ASP 45 -8.214 -8.187 1.142 376 H ARG 46 H ARG 46 -5.002 -7.060 -1.914 377 HA ARG 46 HA ARG 46 -2.594 -6.718 -0.250 378 1HB ARG 46 2HB ARG 46 -3.009 -9.244 -0.693 379 2HB ARG 46 1HB ARG 46 -2.577 -8.881 -2.366 380 1HG ARG 46 2HG ARG 46 -0.787 -7.903 -0.172 381 2HG ARG 46 1HG ARG 46 -0.710 -9.604 -0.634 382 1HD ARG 46 2HD ARG 46 -0.756 -7.689 -2.887 383 2HD ARG 46 1HD ARG 46 0.699 -7.637 -1.887 384 HE ARG 46 HE ARG 46 0.005 -10.359 -2.567 385 1HH1 ARG 46 2HH1 ARG 46 0.688 -7.585 -4.385 386 2HH1 ARG 46 1HH1 ARG 46 2.004 -8.288 -5.263 387 1HH2 ARG 46 1HH2 ARG 46 2.013 -11.226 -3.424 388 2HH2 ARG 46 2HH2 ARG 46 2.755 -10.349 -4.720 389 H VAL 47 H VAL 47 -1.013 -5.536 -1.379 390 HA VAL 47 HA VAL 47 -1.320 -5.114 -4.283 391 HB VAL 47 HB VAL 47 -1.015 -2.505 -3.102 392 1HG1 VAL 47 2HG1 VAL 47 -1.917 -3.338 -5.389 393 2HG1 VAL 47 1HG1 VAL 47 -3.452 -3.526 -4.541 394 3HG1 VAL 47 3HG1 VAL 47 -2.690 -1.939 -4.644 395 1HG2 VAL 47 1HG2 VAL 47 -3.474 -4.045 -2.208 396 2HG2 VAL 47 3HG2 VAL 47 -2.218 -3.398 -1.153 397 3HG2 VAL 47 2HG2 VAL 47 -3.258 -2.300 -2.059 398 H ARG 48 H ARG 48 0.596 -3.994 -5.196 399 HA ARG 48 HA ARG 48 2.999 -4.565 -3.559 400 1HB ARG 48 2HB ARG 48 2.474 -4.131 -6.471 401 2HB ARG 48 1HB ARG 48 4.102 -3.849 -5.843 402 1HG ARG 48 2HG ARG 48 2.487 -6.409 -5.594 403 2HG ARG 48 1HG ARG 48 3.924 -6.168 -6.587 404 1HD ARG 48 2HD ARG 48 4.942 -5.407 -4.221 405 2HD ARG 48 1HD ARG 48 3.697 -6.510 -3.631 406 HE ARG 48 HE ARG 48 5.587 -7.459 -5.732 407 1HH1 ARG 48 2HH1 ARG 48 5.006 -7.219 -2.384 408 2HH1 ARG 48 1HH1 ARG 48 5.418 -8.865 -2.040 409 1HH2 ARG 48 1HH2 ARG 48 5.810 -9.744 -5.371 410 2HH2 ARG 48 2HH2 ARG 48 5.872 -10.295 -3.730 411 H LEU 49 H LEU 49 3.330 -2.858 -2.149 412 HA LEU 49 HA LEU 49 3.210 -0.115 -3.278 413 1HB LEU 49 2HB LEU 49 2.151 -0.201 -1.148 414 2HB LEU 49 1HB LEU 49 3.453 -1.168 -0.455 415 HG LEU 49 HG LEU 49 4.909 0.652 -0.296 416 1HD1 LEU 49 3HD1 LEU 49 3.341 1.706 -2.616 417 2HD1 LEU 49 2HD1 LEU 49 4.121 2.882 -1.559 418 3HD1 LEU 49 1HD1 LEU 49 5.089 1.656 -2.381 419 1HD2 LEU 49 2HD2 LEU 49 2.179 1.094 0.500 420 2HD2 LEU 49 1HD2 LEU 49 3.659 1.636 1.292 421 3HD2 LEU 49 3HD2 LEU 49 2.911 2.633 0.046 422 H PHE 50 H PHE 50 5.062 0.015 -4.509 423 HA PHE 50 HA PHE 50 7.666 -0.723 -3.302 424 1HB PHE 50 2HB PHE 50 6.668 0.049 -6.026 425 2HB PHE 50 1HB PHE 50 8.390 0.204 -5.659 426 HD1 PHE 50 HD2 PHE 50 9.668 -1.812 -4.878 427 HD2 PHE 50 HD1 PHE 50 5.672 -2.101 -6.429 428 HE1 PHE 50 HE2 PHE 50 10.005 -4.232 -5.290 429 HE2 PHE 50 HE1 PHE 50 6.017 -4.516 -6.862 430 HZ PHE 50 HZ PHE 50 8.182 -5.583 -6.294 431 H VAL 51 H VAL 51 9.220 0.905 -2.762 432 HA VAL 51 HA VAL 51 8.115 3.672 -2.736 433 HB VAL 51 HB VAL 51 9.544 4.120 -0.860 434 1HG1 VAL 51 2HG1 VAL 51 7.439 2.646 -0.585 435 2HG1 VAL 51 1HG1 VAL 51 8.571 1.312 -0.363 436 3HG1 VAL 51 3HG1 VAL 51 8.592 2.681 0.750 437 1HG2 VAL 51 3HG2 VAL 51 10.899 1.654 -1.838 438 2HG2 VAL 51 2HG2 VAL 51 11.599 3.130 -1.175 439 3HG2 VAL 51 1HG2 VAL 51 10.898 1.925 -0.095 440 H ASP 52 H ASP 52 10.759 4.798 -2.111 441 HA ASP 52 HA ASP 52 12.238 4.359 -4.644 442 1HB ASP 52 2HB ASP 52 11.942 6.482 -5.476 443 2HB ASP 52 1HB ASP 52 10.442 6.370 -4.568 444 H LYS 53 H LYS 53 13.933 6.636 -4.233 445 HA LYS 53 HA LYS 53 15.949 5.584 -2.570 446 1HB LYS 53 2HB LYS 53 15.516 8.502 -3.185 447 2HB LYS 53 1HB LYS 53 17.056 7.663 -2.985 448 1HG LYS 53 2HG LYS 53 16.269 6.232 -5.008 449 2HG LYS 53 1HG LYS 53 15.103 7.531 -5.284 450 1HD LYS 53 2HD LYS 53 17.796 8.547 -4.764 451 2HD LYS 53 1HD LYS 53 17.743 7.494 -6.179 452 1HE LYS 53 2HE LYS 53 17.207 9.584 -7.094 453 2HE LYS 53 1HE LYS 53 15.615 8.878 -6.811 454 1HZ LYS 53 3HZ LYS 53 16.543 10.190 -4.482 455 2HZ LYS 53 2HZ LYS 53 16.593 11.256 -5.804 456 3HZ LYS 53 1HZ LYS 53 15.138 10.486 -5.386 457 H LEU 54 H LEU 54 13.869 8.439 -1.940 458 HA LEU 54 HA LEU 54 14.454 8.168 0.958 459 1HB LEU 54 2HB LEU 54 14.595 10.397 -0.288 460 2HB LEU 54 1HB LEU 54 12.835 10.336 -0.396 461 HG LEU 54 HG LEU 54 13.018 9.866 2.206 462 1HD1 LEU 54 3HD1 LEU 54 15.701 10.199 1.583 463 2HD1 LEU 54 2HD1 LEU 54 15.242 11.772 2.233 464 3HD1 LEU 54 1HD1 LEU 54 15.002 10.314 3.197 465 1HD2 LEU 54 3HD2 LEU 54 12.754 12.241 0.556 466 2HD2 LEU 54 2HD2 LEU 54 11.912 11.828 2.051 467 3HD2 LEU 54 1HD2 LEU 54 13.475 12.642 2.116 468 H ASP 55 H ASP 55 12.814 6.133 -0.112 469 HA ASP 55 HA ASP 55 10.704 5.134 0.137 470 1HB ASP 55 2HB ASP 55 9.739 6.542 2.434 471 2HB ASP 55 1HB ASP 55 10.412 4.911 2.354 472 H ASN 56 H ASN 56 10.297 6.728 -1.816 473 HA ASN 56 HA ASN 56 7.916 8.384 -1.101 474 1HB ASN 56 2HB ASN 56 9.524 9.977 -1.813 475 2HB ASN 56 1HB ASN 56 10.122 8.922 -3.093 476 1HD2 ASN 56 2HD2 ASN 56 7.700 9.954 -5.447 477 2HD2 ASN 56 1HD2 ASN 56 9.017 8.936 -5.119 478 H ILE 57 H ILE 57 6.273 7.128 -1.653 479 HA ILE 57 HA ILE 57 6.070 5.005 -3.375 480 HB ILE 57 HB ILE 57 3.954 7.157 -3.100 481 1HG1 ILE 57 2HG1 ILE 57 4.629 4.764 -1.357 482 2HG1 ILE 57 1HG1 ILE 57 4.722 6.463 -0.891 483 1HG2 ILE 57 2HG2 ILE 57 4.066 4.493 -4.332 484 2HG2 ILE 57 1HG2 ILE 57 2.745 4.668 -3.177 485 3HG2 ILE 57 3HG2 ILE 57 2.878 5.779 -4.541 486 1HD1 ILE 57 3HD1 ILE 57 2.172 5.096 -1.776 487 2HD1 ILE 57 2HD1 ILE 57 2.638 5.306 -0.088 488 3HD1 ILE 57 1HD1 ILE 57 2.327 6.717 -1.099 489 H ALA 58 H ALA 58 7.407 5.325 -5.199 490 HA ALA 58 HA ALA 58 6.699 7.446 -7.131 491 1HB ALA 58 3HB ALA 58 8.991 5.748 -6.614 492 2HB ALA 58 2HB ALA 58 8.511 5.630 -8.307 493 3HB ALA 58 1HB ALA 58 8.895 7.202 -7.607 494 H GLN 59 H GLN 59 5.937 4.180 -6.430 495 HA GLN 59 HA GLN 59 4.684 3.847 -9.125 496 1HB GLN 59 2HB GLN 59 6.425 2.128 -7.733 497 2HB GLN 59 1HB GLN 59 4.823 1.412 -7.547 498 1HG GLN 59 2HG GLN 59 4.514 1.696 -10.045 499 2HG GLN 59 1HG GLN 59 6.219 2.141 -10.133 500 1HE2 GLN 59 2HE2 GLN 59 7.150 -1.241 -10.310 501 2HE2 GLN 59 1HE2 GLN 59 7.403 0.357 -10.825 502 H VAL 60 H VAL 60 2.452 3.586 -9.139 503 HA VAL 60 HA VAL 60 1.080 3.950 -6.564 504 HB VAL 60 HB VAL 60 0.052 3.802 -9.406 505 1HG1 VAL 60 3HG1 VAL 60 -1.342 3.353 -6.979 506 2HG1 VAL 60 2HG1 VAL 60 -1.765 4.984 -7.500 507 3HG1 VAL 60 1HG1 VAL 60 -2.037 3.617 -8.579 508 1HG2 VAL 60 2HG2 VAL 60 1.347 5.847 -8.012 509 2HG2 VAL 60 1HG2 VAL 60 0.364 6.039 -9.465 510 3HG2 VAL 60 3HG2 VAL 60 -0.366 6.247 -7.873 511 HA PRO 61 HA PRO 61 0.191 -0.427 -6.335 512 1HB PRO 61 2HB PRO 61 -1.148 -0.270 -3.940 513 2HB PRO 61 1HB PRO 61 0.619 -0.272 -4.060 514 1HG PRO 61 2HG PRO 61 -1.218 1.996 -3.462 515 2HG PRO 61 1HG PRO 61 0.480 1.779 -3.008 516 1HD PRO 61 2HD PRO 61 -0.485 3.413 -5.115 517 2HD PRO 61 1HD PRO 61 1.207 2.943 -4.843 518 H ARG 62 H ARG 62 -1.882 -1.682 -6.427 519 HA ARG 62 HA ARG 62 -4.353 -0.072 -6.568 520 1HB ARG 62 2HB ARG 62 -2.875 -0.629 -8.891 521 2HB ARG 62 1HB ARG 62 -4.233 -1.754 -8.916 522 1HG ARG 62 2HG ARG 62 -5.239 0.088 -9.891 523 2HG ARG 62 1HG ARG 62 -5.588 0.425 -8.196 524 1HD ARG 62 2HD ARG 62 -4.632 2.390 -9.459 525 2HD ARG 62 1HD ARG 62 -3.701 1.931 -8.033 526 HE ARG 62 HE ARG 62 -2.006 0.992 -9.502 527 1HH1 ARG 62 1HH2 ARG 62 -3.796 3.498 -10.764 528 2HH1 ARG 62 2HH2 ARG 62 -3.390 3.206 -12.422 529 1HH2 ARG 62 2HH1 ARG 62 -1.849 0.165 -11.787 530 2HH2 ARG 62 1HH1 ARG 62 -2.291 1.318 -13.002 531 H VAL 63 H VAL 63 -6.067 -1.222 -5.870 532 HA VAL 63 HA VAL 63 -5.702 -4.162 -5.496 533 HB VAL 63 HB VAL 63 -6.992 -1.993 -3.910 534 1HG1 VAL 63 3HG1 VAL 63 -8.026 -4.846 -3.971 535 2HG1 VAL 63 2HG1 VAL 63 -8.390 -3.686 -2.690 536 3HG1 VAL 63 1HG1 VAL 63 -8.941 -3.383 -4.340 537 1HG2 VAL 63 3HG2 VAL 63 -5.308 -4.442 -3.449 538 2HG2 VAL 63 2HG2 VAL 63 -4.991 -2.773 -2.979 539 3HG2 VAL 63 1HG2 VAL 63 -6.193 -3.722 -2.106 540 H GLY 64 H GLY 64 -7.687 -1.685 -6.939 541 1HA GLY 64 2HA GLY 64 -9.673 -1.820 -8.202 542 2HA GLY 64 1HA GLY 64 -8.898 -3.255 -8.876 No H/Q in entry = 542 Start of MODEL 7 Raw file had 552 H/Q atoms Start of MODEL 7 1 1H MET 1 3H MET 1 -13.632 4.642 -6.161 2 2H MET 1 2H MET 1 -14.049 3.067 -5.682 3 3H MET 1 1H MET 1 -15.145 4.346 -5.455 4 HA MET 1 HA MET 1 -13.968 5.254 -3.707 5 1HB MET 1 2HB MET 1 -13.665 2.239 -3.642 6 2HB MET 1 1HB MET 1 -13.370 3.273 -2.245 7 1HG MET 1 2HG MET 1 -15.906 3.897 -3.544 8 2HG MET 1 1HG MET 1 -15.834 2.222 -3.001 9 1HE MET 1 2HE MET 1 -16.205 5.610 -2.582 10 2HE MET 1 1HE MET 1 -16.946 5.781 -0.993 11 3HE MET 1 3HE MET 1 -15.220 6.104 -1.207 12 H LYS 2 H LYS 2 -11.790 4.221 -2.258 13 HA LYS 2 HA LYS 2 -9.576 5.217 -3.910 14 1HB LYS 2 2HB LYS 2 -9.852 5.856 -1.505 15 2HB LYS 2 1HB LYS 2 -9.526 4.182 -1.060 16 1HG LYS 2 2HG LYS 2 -7.388 5.051 -0.903 17 2HG LYS 2 1HG LYS 2 -7.386 4.555 -2.596 18 1HD LYS 2 2HD LYS 2 -6.676 6.731 -2.864 19 2HD LYS 2 1HD LYS 2 -8.419 7.003 -2.914 20 1HE LYS 2 2HE LYS 2 -8.263 7.278 -0.352 21 2HE LYS 2 1HE LYS 2 -6.523 7.430 -0.604 22 1HZ LYS 2 2HZ LYS 2 -7.197 9.155 -2.360 23 2HZ LYS 2 1HZ LYS 2 -8.691 9.190 -1.548 24 3HZ LYS 2 3HZ LYS 2 -7.268 9.599 -0.721 25 H THR 3 H THR 3 -9.824 3.269 -5.398 26 HA THR 3 HA THR 3 -8.424 0.873 -4.270 27 HB THR 3 HB THR 3 -9.853 0.925 -6.926 28 HG1 THR 3 HG1 THR 3 -11.748 0.664 -5.951 29 1HG2 THR 3 2HG2 THR 3 -8.392 -0.999 -6.144 30 2HG2 THR 3 1HG2 THR 3 -9.569 -1.263 -4.857 31 3HG2 THR 3 3HG2 THR 3 -10.055 -1.433 -6.544 32 H GLU 4 H GLU 4 -7.656 3.645 -5.763 33 HA GLU 4 HA GLU 4 -5.641 2.357 -7.563 34 1HB GLU 4 2HB GLU 4 -7.187 4.934 -7.778 35 2HB GLU 4 1HB GLU 4 -5.618 4.788 -8.562 36 1HG GLU 4 2HG GLU 4 -6.413 2.769 -9.767 37 2HG GLU 4 1HG GLU 4 -7.993 2.946 -9.001 38 H TRP 5 H TRP 5 -6.247 4.992 -5.286 39 HA TRP 5 HA TRP 5 -4.767 6.156 -3.897 40 1HB TRP 5 2HB TRP 5 -2.983 3.801 -4.569 41 2HB TRP 5 1HB TRP 5 -2.615 5.022 -3.345 42 HD1 TRP 5 HD1 TRP 5 -4.560 5.284 -1.372 43 HE1 TRP 5 HE1 TRP 5 -5.860 3.409 -0.177 44 HE3 TRP 5 HE3 TRP 5 -3.982 1.504 -4.765 45 HZ2 TRP 5 HZ2 TRP 5 -6.539 0.674 -0.589 46 HZ3 TRP 5 HZ3 TRP 5 -4.956 -0.733 -4.322 47 HH2 TRP 5 HH2 TRP 5 -6.233 -1.151 -2.240 48 HA PRO 6 HA PRO 6 -2.312 7.319 -7.789 49 1HB PRO 6 2HB PRO 6 -4.004 9.213 -8.855 50 2HB PRO 6 1HB PRO 6 -3.999 7.519 -9.377 51 1HG PRO 6 2HG PRO 6 -5.951 8.940 -7.611 52 2HG PRO 6 1HG PRO 6 -6.215 7.566 -8.697 53 1HD PRO 6 2HD PRO 6 -5.951 7.374 -5.913 54 2HD PRO 6 1HD PRO 6 -5.737 6.039 -7.057 55 H GLU 7 H GLU 7 -4.416 8.886 -5.572 56 HA GLU 7 HA GLU 7 -3.018 11.426 -5.407 57 1HB GLU 7 2HB GLU 7 -5.348 10.265 -4.273 58 2HB GLU 7 1HB GLU 7 -4.294 10.706 -2.928 59 1HG GLU 7 2HG GLU 7 -4.380 12.765 -5.007 60 2HG GLU 7 1HG GLU 7 -5.967 12.443 -4.307 61 H LEU 8 H LEU 8 -2.386 8.231 -4.308 62 HA LEU 8 HA LEU 8 -0.758 9.055 -2.025 63 1HB LEU 8 2HB LEU 8 -0.936 6.377 -3.433 64 2HB LEU 8 1HB LEU 8 -0.135 6.673 -1.893 65 HG LEU 8 HG LEU 8 -3.071 6.654 -2.528 66 1HD1 LEU 8 2HD1 LEU 8 -1.233 5.501 -0.433 67 2HD1 LEU 8 1HD1 LEU 8 -2.981 5.534 -0.199 68 3HD1 LEU 8 3HD1 LEU 8 -2.289 4.643 -1.556 69 1HD2 LEU 8 3HD2 LEU 8 -1.788 8.098 -0.181 70 2HD2 LEU 8 2HD2 LEU 8 -2.655 8.871 -1.507 71 3HD2 LEU 8 1HD2 LEU 8 -3.517 7.817 -0.387 72 H VAL 9 H VAL 9 -0.342 9.151 -5.340 73 HA VAL 9 HA VAL 9 2.297 8.211 -5.716 74 HB VAL 9 HB VAL 9 0.750 10.448 -7.031 75 1HG1 VAL 9 1HG1 VAL 9 3.265 10.919 -7.018 76 2HG1 VAL 9 3HG1 VAL 9 3.460 9.417 -7.927 77 3HG1 VAL 9 2HG1 VAL 9 2.538 10.751 -8.620 78 1HG2 VAL 9 3HG2 VAL 9 0.189 8.003 -7.408 79 2HG2 VAL 9 2HG2 VAL 9 0.614 8.896 -8.869 80 3HG2 VAL 9 1HG2 VAL 9 1.793 7.821 -8.118 81 H GLY 10 H GLY 10 4.310 9.220 -5.568 82 1HA GLY 10 2HA GLY 10 5.916 10.629 -4.629 83 2HA GLY 10 1HA GLY 10 4.733 11.916 -4.851 84 H LYS 11 H LYS 11 3.459 9.415 -2.922 85 HA LYS 11 HA LYS 11 3.825 11.130 -0.530 86 1HB LYS 11 2HB LYS 11 1.618 9.810 -1.491 87 2HB LYS 11 1HB LYS 11 2.197 8.687 -0.262 88 1HG LYS 11 2HG LYS 11 1.071 10.021 1.194 89 2HG LYS 11 1HG LYS 11 2.462 11.092 1.029 90 1HD LYS 11 2HD LYS 11 1.354 12.336 -0.748 91 2HD LYS 11 1HD LYS 11 -0.006 11.212 -0.727 92 1HE LYS 11 2HE LYS 11 -0.981 12.487 0.846 93 2HE LYS 11 1HE LYS 11 0.341 12.087 1.941 94 1HZ LYS 11 3HZ LYS 11 0.882 14.132 -0.057 95 2HZ LYS 11 2HZ LYS 11 -0.204 14.559 1.177 96 3HZ LYS 11 1HZ LYS 11 1.368 14.044 1.566 97 H SER 12 H SER 12 3.323 8.654 1.182 98 HA SER 12 HA SER 12 5.942 7.283 0.849 99 1HB SER 12 2HB SER 12 5.352 9.286 2.821 100 2HB SER 12 1HB SER 12 5.588 7.735 3.630 101 HG SER 12 HG SER 12 7.352 9.286 2.127 102 H VAL 13 H VAL 13 6.075 5.299 2.197 103 HA VAL 13 HA VAL 13 3.920 3.570 1.951 104 HB VAL 13 HB VAL 13 5.987 3.617 4.170 105 1HG1 VAL 13 3HG1 VAL 13 4.073 1.451 3.260 106 2HG1 VAL 13 2HG1 VAL 13 5.420 1.186 4.366 107 3HG1 VAL 13 1HG1 VAL 13 4.089 2.246 4.833 108 1HG2 VAL 13 1HG2 VAL 13 5.847 2.315 1.443 109 2HG2 VAL 13 3HG2 VAL 13 7.088 3.401 2.064 110 3HG2 VAL 13 2HG2 VAL 13 6.958 1.761 2.695 111 H GLU 14 H GLU 14 4.596 5.812 4.608 112 HA GLU 14 HA GLU 14 2.754 5.056 6.528 113 1HB GLU 14 2HB GLU 14 3.606 7.767 5.533 114 2HB GLU 14 1HB GLU 14 2.368 7.634 6.782 115 1HG GLU 14 2HG GLU 14 3.872 7.033 8.366 116 2HG GLU 14 1HG GLU 14 4.700 5.918 7.277 117 H GLU 15 H GLU 15 1.842 7.648 4.249 118 HA GLU 15 HA GLU 15 -0.946 7.330 4.558 119 1HB GLU 15 2HB GLU 15 0.704 8.961 3.046 120 2HB GLU 15 1HB GLU 15 -0.150 8.024 1.819 121 1HG GLU 15 2HG GLU 15 -1.595 9.841 2.194 122 2HG GLU 15 1HG GLU 15 -2.280 8.570 3.207 123 H ALA 16 H ALA 16 1.314 5.555 2.499 124 HA ALA 16 HA ALA 16 -0.627 4.289 0.840 125 1HB ALA 16 3HB ALA 16 2.090 3.299 1.750 126 2HB ALA 16 2HB ALA 16 1.138 2.565 0.459 127 3HB ALA 16 1HB ALA 16 1.745 4.212 0.281 128 H LYS 17 H LYS 17 1.222 2.263 3.092 129 HA LYS 17 HA LYS 17 -0.762 0.313 3.406 130 1HB LYS 17 2HB LYS 17 1.723 0.583 4.397 131 2HB LYS 17 1HB LYS 17 0.805 0.995 5.847 132 1HG LYS 17 2HG LYS 17 0.012 -1.425 4.259 133 2HG LYS 17 1HG LYS 17 1.400 -1.526 5.345 134 1HD LYS 17 2HD LYS 17 -1.020 -0.231 6.470 135 2HD LYS 17 1HD LYS 17 -1.153 -1.961 6.154 136 1HE LYS 17 2HE LYS 17 -0.025 -2.342 8.064 137 2HE LYS 17 1HE LYS 17 1.387 -1.586 7.324 138 1HZ LYS 17 2HZ LYS 17 -0.768 -0.051 8.664 139 2HZ LYS 17 1HZ LYS 17 0.639 -0.571 9.462 140 3HZ LYS 17 3HZ LYS 17 0.754 0.517 8.166 141 H LYS 18 H LYS 18 -0.497 3.428 4.916 142 HA LYS 18 HA LYS 18 -2.262 3.174 7.101 143 1HB LYS 18 2HB LYS 18 -0.932 5.171 6.792 144 2HB LYS 18 1HB LYS 18 -1.731 5.520 5.257 145 1HG LYS 18 2HG LYS 18 -2.924 6.917 6.671 146 2HG LYS 18 1HG LYS 18 -3.912 5.463 6.788 147 1HD LYS 18 2HD LYS 18 -2.978 4.858 8.880 148 2HD LYS 18 1HD LYS 18 -1.617 5.963 8.683 149 1HE LYS 18 2HE LYS 18 -4.518 6.725 9.113 150 2HE LYS 18 1HE LYS 18 -3.192 6.946 10.252 151 1HZ LYS 18 2HZ LYS 18 -2.125 8.297 8.391 152 2HZ LYS 18 1HZ LYS 18 -3.675 8.338 7.696 153 3HZ LYS 18 3HZ LYS 18 -3.420 9.005 9.234 154 H VAL 19 H VAL 19 -3.267 4.982 4.211 155 HA VAL 19 HA VAL 19 -6.054 4.414 4.712 156 HB VAL 19 HB VAL 19 -5.099 5.268 2.001 157 1HG1 VAL 19 1HG1 VAL 19 -7.533 5.203 3.388 158 2HG1 VAL 19 3HG1 VAL 19 -7.060 6.901 3.396 159 3HG1 VAL 19 2HG1 VAL 19 -7.215 6.037 1.866 160 1HG2 VAL 19 1HG2 VAL 19 -4.710 6.755 4.598 161 2HG2 VAL 19 3HG2 VAL 19 -3.591 6.594 3.243 162 3HG2 VAL 19 2HG2 VAL 19 -5.006 7.641 3.103 163 H ILE 20 H ILE 20 -3.721 3.136 2.354 164 HA ILE 20 HA ILE 20 -5.364 1.511 0.808 165 HB ILE 20 HB ILE 20 -2.611 0.870 1.907 166 1HG1 ILE 20 2HG1 ILE 20 -3.312 1.764 -0.883 167 2HG1 ILE 20 1HG1 ILE 20 -3.074 2.948 0.401 168 1HG2 ILE 20 1HG2 ILE 20 -4.395 -0.512 -0.075 169 2HG2 ILE 20 3HG2 ILE 20 -2.647 -0.557 -0.300 170 3HG2 ILE 20 2HG2 ILE 20 -3.362 -1.214 1.171 171 1HD1 ILE 20 2HD1 ILE 20 -0.891 1.383 0.783 172 2HD1 ILE 20 1HD1 ILE 20 -1.102 1.204 -0.959 173 3HD1 ILE 20 3HD1 ILE 20 -0.889 2.806 -0.258 174 H LEU 21 H LEU 21 -3.758 0.490 3.854 175 HA LEU 21 HA LEU 21 -4.646 -2.056 4.218 176 1HB LEU 21 2HB LEU 21 -3.402 -0.834 5.944 177 2HB LEU 21 1HB LEU 21 -4.840 0.126 6.313 178 HG LEU 21 HG LEU 21 -5.475 -2.698 6.357 179 1HD1 LEU 21 1HD1 LEU 21 -2.901 -1.928 7.490 180 2HD1 LEU 21 3HD1 LEU 21 -3.991 -2.570 8.719 181 3HD1 LEU 21 2HD1 LEU 21 -3.601 -3.536 7.296 182 1HD2 LEU 21 1HD2 LEU 21 -6.093 -0.274 7.710 183 2HD2 LEU 21 3HD2 LEU 21 -6.889 -1.839 7.883 184 3HD2 LEU 21 2HD2 LEU 21 -5.533 -1.419 8.930 185 H GLN 22 H GLN 22 -6.734 0.793 4.456 186 HA GLN 22 HA GLN 22 -9.047 -1.058 4.279 187 1HB GLN 22 2HB GLN 22 -8.325 0.495 6.608 188 2HB GLN 22 1HB GLN 22 -9.883 1.031 5.977 189 1HG GLN 22 2HG GLN 22 -10.751 -1.241 6.035 190 2HG GLN 22 1HG GLN 22 -9.171 -1.879 6.496 191 1HE2 GLN 22 1HE2 GLN 22 -8.281 -0.834 8.643 192 2HE2 GLN 22 2HE2 GLN 22 -9.418 -0.580 9.878 193 H ASP 23 H ASP 23 -8.287 0.179 2.065 194 HA ASP 23 HA ASP 23 -9.284 2.878 1.770 195 1HB ASP 23 2HB ASP 23 -9.035 2.474 -0.650 196 2HB ASP 23 1HB ASP 23 -7.600 1.954 0.228 197 H LYS 24 H LYS 24 -10.673 -0.326 1.446 198 HA LYS 24 HA LYS 24 -13.323 0.959 1.144 199 1HB LYS 24 2HB LYS 24 -12.235 -1.300 -0.558 200 2HB LYS 24 1HB LYS 24 -13.955 -0.915 -0.456 201 1HG LYS 24 2HG LYS 24 -13.697 0.792 -1.897 202 2HG LYS 24 1HG LYS 24 -12.403 1.481 -0.915 203 1HD LYS 24 2HD LYS 24 -11.670 0.852 -3.241 204 2HD LYS 24 1HD LYS 24 -10.755 0.042 -1.969 205 1HE LYS 24 2HE LYS 24 -11.313 -1.924 -2.909 206 2HE LYS 24 1HE LYS 24 -12.985 -1.606 -2.450 207 1HZ LYS 24 2HZ LYS 24 -12.844 -0.121 -4.616 208 2HZ LYS 24 1HZ LYS 24 -11.671 -1.277 -5.032 209 3HZ LYS 24 3HZ LYS 24 -13.255 -1.768 -4.676 210 HA PRO 25 HA PRO 25 -14.295 -2.732 3.737 211 1HB PRO 25 2HB PRO 25 -13.443 -5.267 3.096 212 2HB PRO 25 1HB PRO 25 -14.906 -4.541 2.408 213 1HG PRO 25 2HG PRO 25 -12.252 -4.989 1.125 214 2HG PRO 25 1HG PRO 25 -13.857 -4.877 0.382 215 1HD PRO 25 2HD PRO 25 -11.911 -2.828 0.417 216 2HD PRO 25 1HD PRO 25 -13.628 -2.648 -0.004 217 H GLU 26 H GLU 26 -11.314 -4.265 2.548 218 HA GLU 26 HA GLU 26 -9.608 -3.086 4.579 219 1HB GLU 26 2HB GLU 26 -9.912 -6.080 4.799 220 2HB GLU 26 1HB GLU 26 -9.167 -4.956 5.934 221 1HG GLU 26 2HG GLU 26 -11.371 -4.024 6.487 222 2HG GLU 26 1HG GLU 26 -12.135 -5.108 5.322 223 H ALA 27 H ALA 27 -8.812 -2.679 2.262 224 HA ALA 27 HA ALA 27 -7.548 -5.017 1.003 225 1HB ALA 27 3HB ALA 27 -7.602 -2.083 0.226 226 2HB ALA 27 2HB ALA 27 -6.818 -3.344 -0.721 227 3HB ALA 27 1HB ALA 27 -8.565 -3.377 -0.490 228 H GLN 28 H GLN 28 -5.615 -5.674 1.798 229 HA GLN 28 HA GLN 28 -3.902 -3.765 3.259 230 1HB GLN 28 2HB GLN 28 -4.414 -6.434 3.615 231 2HB GLN 28 1HB GLN 28 -2.884 -6.487 2.735 232 1HG GLN 28 2HG GLN 28 -2.637 -4.421 4.661 233 2HG GLN 28 1HG GLN 28 -3.344 -5.804 5.496 234 1HE2 GLN 28 2HE2 GLN 28 -0.086 -7.128 5.796 235 2HE2 GLN 28 1HE2 GLN 28 -1.500 -6.623 6.588 236 H ILE 29 H ILE 29 -1.448 -3.977 2.726 237 HA ILE 29 HA ILE 29 -0.964 -4.476 -0.132 238 HB ILE 29 HB ILE 29 -1.691 -2.142 -0.112 239 1HG1 ILE 29 2HG1 ILE 29 1.316 -2.208 -0.376 240 2HG1 ILE 29 1HG1 ILE 29 0.259 -3.012 -1.535 241 1HG2 ILE 29 2HG2 ILE 29 0.490 -1.884 1.973 242 2HG2 ILE 29 1HG2 ILE 29 -0.172 -0.496 1.110 243 3HG2 ILE 29 3HG2 ILE 29 -1.215 -1.472 2.145 244 1HD1 ILE 29 3HD1 ILE 29 -0.918 -0.842 -1.912 245 2HD1 ILE 29 2HD1 ILE 29 0.242 -0.062 -0.834 246 3HD1 ILE 29 1HD1 ILE 29 0.788 -0.772 -2.353 247 H ILE 30 H ILE 30 1.173 -4.855 -0.623 248 HA ILE 30 HA ILE 30 2.952 -5.454 1.655 249 HB ILE 30 HB ILE 30 2.693 -6.260 -1.191 250 1HG1 ILE 30 2HG1 ILE 30 3.297 -8.430 -0.311 251 2HG1 ILE 30 1HG1 ILE 30 3.877 -7.712 1.190 252 1HG2 ILE 30 2HG2 ILE 30 5.359 -5.708 0.054 253 2HG2 ILE 30 1HG2 ILE 30 5.182 -7.109 -1.001 254 3HG2 ILE 30 3HG2 ILE 30 4.837 -5.494 -1.619 255 1HD1 ILE 30 3HD1 ILE 30 1.192 -6.831 0.803 256 2HD1 ILE 30 2HD1 ILE 30 1.223 -8.574 0.544 257 3HD1 ILE 30 1HD1 ILE 30 1.814 -7.896 2.061 258 H VAL 31 H VAL 31 5.175 -4.533 1.671 259 HA VAL 31 HA VAL 31 5.333 -2.048 0.041 260 HB VAL 31 HB VAL 31 6.492 -2.154 2.803 261 1HG1 VAL 31 1HG1 VAL 31 6.038 -0.197 0.697 262 2HG1 VAL 31 3HG1 VAL 31 5.377 0.331 2.245 263 3HG1 VAL 31 2HG1 VAL 31 7.083 -0.095 2.114 264 1HG2 VAL 31 2HG2 VAL 31 4.130 -2.870 3.009 265 2HG2 VAL 31 1HG2 VAL 31 4.375 -1.257 3.685 266 3HG2 VAL 31 3HG2 VAL 31 3.631 -1.445 2.097 267 H LEU 32 H LEU 32 6.994 -2.178 -1.283 268 HA LEU 32 HA LEU 32 9.630 -3.135 -0.315 269 1HB LEU 32 2HB LEU 32 9.919 -4.375 -2.496 270 2HB LEU 32 1HB LEU 32 8.720 -5.092 -1.441 271 HG LEU 32 HG LEU 32 8.079 -3.219 -3.716 272 1HD1 LEU 32 3HD1 LEU 32 8.806 -6.033 -3.617 273 2HD1 LEU 32 2HD1 LEU 32 7.171 -5.828 -4.240 274 3HD1 LEU 32 1HD1 LEU 32 8.525 -5.011 -5.025 275 1HD2 LEU 32 1HD2 LEU 32 6.561 -4.462 -1.533 276 2HD2 LEU 32 3HD2 LEU 32 6.072 -3.180 -2.642 277 3HD2 LEU 32 2HD2 LEU 32 5.909 -4.870 -3.122 278 HA PRO 33 HA PRO 33 10.979 0.315 -2.596 279 1HB PRO 33 2HB PRO 33 13.358 -0.518 -3.675 280 2HB PRO 33 1HB PRO 33 13.132 -0.177 -1.952 281 1HG PRO 33 2HG PRO 33 13.319 -2.827 -3.330 282 2HG PRO 33 1HG PRO 33 13.820 -2.370 -1.689 283 1HD PRO 33 2HD PRO 33 11.465 -3.738 -2.330 284 2HD PRO 33 1HD PRO 33 11.764 -2.892 -0.800 285 H VAL 34 H VAL 34 12.640 -1.622 -4.940 286 HA VAL 34 HA VAL 34 10.398 -1.725 -6.812 287 HB VAL 34 HB VAL 34 11.614 -0.275 -8.498 288 1HG1 VAL 34 2HG1 VAL 34 9.695 0.543 -7.086 289 2HG1 VAL 34 1HG1 VAL 34 10.869 1.150 -5.919 290 3HG1 VAL 34 3HG1 VAL 34 10.817 1.819 -7.550 291 1HG2 VAL 34 1HG2 VAL 34 13.630 -0.464 -6.548 292 2HG2 VAL 34 3HG2 VAL 34 13.660 0.537 -8.003 293 3HG2 VAL 34 2HG2 VAL 34 13.076 1.212 -6.481 294 H GLY 35 H GLY 35 12.888 -3.204 -5.553 295 1HA GLY 35 2HA GLY 35 13.361 -4.866 -7.910 296 2HA GLY 35 1HA GLY 35 14.788 -4.009 -7.324 297 H THR 36 H THR 36 15.429 -4.394 -5.066 298 HA THR 36 HA THR 36 14.897 -7.212 -4.306 299 HB THR 36 HB THR 36 16.821 -6.701 -2.662 300 HG1 THR 36 HG1 THR 36 17.604 -4.764 -2.716 301 1HG2 THR 36 1HG2 THR 36 16.960 -7.900 -4.911 302 2HG2 THR 36 3HG2 THR 36 17.502 -6.364 -5.587 303 3HG2 THR 36 2HG2 THR 36 18.455 -7.162 -4.337 304 H ILE 37 H ILE 37 14.043 -7.766 -2.271 305 HA ILE 37 HA ILE 37 12.357 -5.764 -1.012 306 HB ILE 37 HB ILE 37 13.046 -8.525 0.033 307 1HG1 ILE 37 2HG1 ILE 37 10.603 -7.952 -1.605 308 2HG1 ILE 37 1HG1 ILE 37 12.135 -8.193 -2.445 309 1HG2 ILE 37 2HG2 ILE 37 10.691 -6.653 0.421 310 2HG2 ILE 37 1HG2 ILE 37 10.734 -8.320 0.994 311 3HG2 ILE 37 3HG2 ILE 37 11.867 -7.134 1.643 312 1HD1 ILE 37 3HD1 ILE 37 11.807 -10.193 -0.382 313 2HD1 ILE 37 2HD1 ILE 37 10.409 -10.191 -1.459 314 3HD1 ILE 37 1HD1 ILE 37 12.030 -10.416 -2.118 315 H VAL 38 H VAL 38 13.575 -4.162 -0.029 316 HA VAL 38 HA VAL 38 15.206 -3.196 1.381 317 HB VAL 38 HB VAL 38 15.017 -4.491 3.734 318 1HG1 VAL 38 2HG1 VAL 38 13.676 -2.329 2.409 319 2HG1 VAL 38 1HG1 VAL 38 12.507 -3.192 3.406 320 3HG1 VAL 38 3HG1 VAL 38 13.974 -2.542 4.134 321 1HG2 VAL 38 3HG2 VAL 38 12.601 -5.346 2.112 322 2HG2 VAL 38 2HG2 VAL 38 13.785 -6.403 2.879 323 3HG2 VAL 38 1HG2 VAL 38 12.691 -5.439 3.872 324 H THR 39 H THR 39 15.647 -6.180 3.133 325 HA THR 39 HA THR 39 18.286 -6.544 1.779 326 HB THR 39 HB THR 39 19.295 -7.016 3.968 327 HG1 THR 39 HG1 THR 39 17.752 -6.251 5.755 328 1HG2 THR 39 1HG2 THR 39 18.630 -4.549 2.991 329 2HG2 THR 39 3HG2 THR 39 17.933 -4.478 4.608 330 3HG2 THR 39 2HG2 THR 39 19.652 -4.813 4.404 331 1H GLU 41 2H GLU 41 -13.344 -7.055 -10.271 332 2H GLU 41 1H GLU 41 -14.760 -6.456 -10.994 333 3H GLU 41 3H GLU 41 -14.215 -5.800 -9.528 334 HA GLU 41 HA GLU 41 -15.861 -7.170 -8.765 335 1HB GLU 41 2HB GLU 41 -15.745 -8.204 -11.320 336 2HB GLU 41 1HB GLU 41 -15.232 -9.576 -10.334 337 1HG GLU 41 2HG GLU 41 -17.664 -7.941 -9.609 338 2HG GLU 41 1HG GLU 41 -17.768 -9.295 -10.734 339 H TYR 42 H TYR 42 -13.224 -6.824 -7.847 340 HA TYR 42 HA TYR 42 -12.940 -9.162 -6.160 341 1HB TYR 42 2HB TYR 42 -11.783 -9.610 -8.536 342 2HB TYR 42 1HB TYR 42 -10.474 -8.699 -7.784 343 HD1 TYR 42 HD2 TYR 42 -9.816 -9.429 -5.353 344 HD2 TYR 42 HD1 TYR 42 -11.985 -11.906 -8.103 345 HE1 TYR 42 HE2 TYR 42 -9.147 -11.429 -4.064 346 HE2 TYR 42 HE1 TYR 42 -11.323 -13.913 -6.815 347 HH TYR 42 HH TYR 42 -9.135 -13.667 -4.017 348 H ARG 43 H ARG 43 -11.927 -8.516 -4.272 349 HA ARG 43 HA ARG 43 -10.480 -5.891 -4.349 350 1HB ARG 43 2HB ARG 43 -11.457 -5.279 -2.269 351 2HB ARG 43 1HB ARG 43 -12.791 -5.919 -3.226 352 1HG ARG 43 2HG ARG 43 -11.964 -8.208 -2.054 353 2HG ARG 43 1HG ARG 43 -11.471 -7.058 -0.808 354 1HD ARG 43 2HD ARG 43 -13.845 -6.065 -1.053 355 2HD ARG 43 1HD ARG 43 -14.243 -7.552 -1.914 356 HE ARG 43 HE ARG 43 -13.270 -7.502 0.916 357 1HH1 ARG 43 1HH2 ARG 43 -13.061 -10.186 0.059 358 2HH1 ARG 43 2HH2 ARG 43 -14.653 -10.848 0.217 359 1HH2 ARG 43 2HH1 ARG 43 -16.210 -7.751 0.372 360 2HH2 ARG 43 1HH1 ARG 43 -16.438 -9.469 0.400 361 H ILE 44 H ILE 44 -8.860 -8.013 -4.723 362 HA ILE 44 HA ILE 44 -8.046 -9.542 -2.531 363 HB ILE 44 HB ILE 44 -6.969 -9.775 -4.735 364 1HG1 ILE 44 2HG1 ILE 44 -4.587 -9.076 -3.217 365 2HG1 ILE 44 1HG1 ILE 44 -5.786 -9.871 -2.191 366 1HG2 ILE 44 1HG2 ILE 44 -6.587 -6.959 -4.418 367 2HG2 ILE 44 3HG2 ILE 44 -4.994 -7.711 -4.523 368 3HG2 ILE 44 2HG2 ILE 44 -6.174 -7.960 -5.811 369 1HD1 ILE 44 3HD1 ILE 44 -5.997 -11.607 -4.085 370 2HD1 ILE 44 2HD1 ILE 44 -4.508 -10.913 -4.727 371 3HD1 ILE 44 1HD1 ILE 44 -4.517 -11.651 -3.126 372 H ASP 45 H ASP 45 -6.998 -9.094 -0.635 373 HA ASP 45 HA ASP 45 -6.707 -6.243 0.003 374 1HB ASP 45 2HB ASP 45 -6.991 -6.856 2.206 375 2HB ASP 45 1HB ASP 45 -7.791 -8.208 1.405 376 H ARG 46 H ARG 46 -4.801 -7.248 -1.830 377 HA ARG 46 HA ARG 46 -2.337 -6.687 -0.271 378 1HB ARG 46 2HB ARG 46 -2.647 -9.220 -0.685 379 2HB ARG 46 1HB ARG 46 -2.369 -8.853 -2.388 380 1HG ARG 46 2HG ARG 46 -0.350 -7.484 -0.963 381 2HG ARG 46 1HG ARG 46 -0.437 -9.095 -0.252 382 1HD ARG 46 2HD ARG 46 -0.543 -8.949 -3.222 383 2HD ARG 46 1HD ARG 46 1.006 -8.567 -2.469 384 HE ARG 46 HE ARG 46 0.919 -10.828 -1.409 385 1HH1 ARG 46 2HH1 ARG 46 -2.113 -10.907 -2.342 386 2HH1 ARG 46 1HH1 ARG 46 -2.003 -12.181 -3.509 387 1HH2 ARG 46 1HH2 ARG 46 1.461 -12.135 -3.626 388 2HH2 ARG 46 2HH2 ARG 46 0.020 -12.878 -4.235 389 H VAL 47 H VAL 47 -0.777 -5.561 -1.536 390 HA VAL 47 HA VAL 47 -1.339 -5.087 -4.388 391 HB VAL 47 HB VAL 47 -1.372 -2.835 -2.356 392 1HG1 VAL 47 1HG1 VAL 47 -1.243 -2.961 -5.350 393 2HG1 VAL 47 3HG1 VAL 47 -2.099 -1.635 -4.571 394 3HG1 VAL 47 2HG1 VAL 47 -0.384 -1.889 -4.244 395 1HG2 VAL 47 2HG2 VAL 47 -3.483 -4.173 -4.046 396 2HG2 VAL 47 1HG2 VAL 47 -3.487 -3.910 -2.303 397 3HG2 VAL 47 3HG2 VAL 47 -3.694 -2.546 -3.399 398 H ARG 48 H ARG 48 0.464 -3.612 -5.309 399 HA ARG 48 HA ARG 48 3.012 -4.434 -4.018 400 1HB ARG 48 2HB ARG 48 2.268 -3.544 -6.805 401 2HB ARG 48 1HB ARG 48 3.952 -3.594 -6.277 402 1HG ARG 48 2HG ARG 48 1.996 -5.914 -6.322 403 2HG ARG 48 1HG ARG 48 3.414 -5.709 -7.353 404 1HD ARG 48 2HD ARG 48 4.610 -5.486 -4.951 405 2HD ARG 48 1HD ARG 48 3.254 -6.516 -4.490 406 HE ARG 48 HE ARG 48 5.497 -7.296 -6.196 407 1HH1 ARG 48 2HH1 ARG 48 2.665 -7.782 -7.445 408 2HH1 ARG 48 1HH1 ARG 48 2.439 -9.445 -7.014 409 1HH2 ARG 48 1HH2 ARG 48 5.022 -9.473 -4.701 410 2HH2 ARG 48 2HH2 ARG 48 3.776 -10.401 -5.465 411 H LEU 49 H LEU 49 3.301 -2.798 -2.414 412 HA LEU 49 HA LEU 49 3.110 0.015 -3.312 413 1HB LEU 49 2HB LEU 49 2.366 -0.860 -0.982 414 2HB LEU 49 1HB LEU 49 4.082 -0.848 -0.596 415 HG LEU 49 HG LEU 49 2.250 1.457 -1.171 416 1HD1 LEU 49 2HD1 LEU 49 4.098 0.512 0.921 417 2HD1 LEU 49 1HD1 LEU 49 4.194 2.243 0.592 418 3HD1 LEU 49 3HD1 LEU 49 2.656 1.520 1.062 419 1HD2 LEU 49 2HD2 LEU 49 4.106 1.598 -2.877 420 2HD2 LEU 49 1HD2 LEU 49 4.132 2.919 -1.706 421 3HD2 LEU 49 3HD2 LEU 49 5.265 1.578 -1.548 422 H PHE 50 H PHE 50 4.879 -0.135 -4.827 423 HA PHE 50 HA PHE 50 7.566 -0.768 -3.925 424 1HB PHE 50 2HB PHE 50 6.335 0.494 -6.361 425 2HB PHE 50 1HB PHE 50 8.089 0.489 -6.148 426 HD1 PHE 50 HD2 PHE 50 6.425 -2.281 -4.571 427 HD2 PHE 50 HD1 PHE 50 8.012 -0.902 -8.316 428 HE1 PHE 50 HE2 PHE 50 6.466 -4.603 -5.407 429 HE2 PHE 50 HE1 PHE 50 8.064 -3.234 -9.148 430 HZ PHE 50 HZ PHE 50 7.293 -5.090 -7.695 431 H VAL 51 H VAL 51 9.198 0.817 -3.317 432 HA VAL 51 HA VAL 51 8.150 3.595 -3.020 433 HB VAL 51 HB VAL 51 9.566 3.721 -0.923 434 1HG1 VAL 51 2HG1 VAL 51 6.979 3.030 -1.236 435 2HG1 VAL 51 1HG1 VAL 51 7.573 1.572 -0.441 436 3HG1 VAL 51 3HG1 VAL 51 7.751 3.139 0.346 437 1HG2 VAL 51 2HG2 VAL 51 9.571 0.715 -1.298 438 2HG2 VAL 51 1HG2 VAL 51 10.982 1.764 -1.401 439 3HG2 VAL 51 3HG2 VAL 51 10.142 1.565 0.135 440 H ASP 52 H ASP 52 10.104 5.110 -2.451 441 HA ASP 52 HA ASP 52 12.264 4.501 -4.418 442 1HB ASP 52 2HB ASP 52 11.893 6.549 -5.299 443 2HB ASP 52 1HB ASP 52 10.478 6.675 -4.252 444 H LYS 53 H LYS 53 14.211 6.292 -3.673 445 HA LYS 53 HA LYS 53 15.532 5.044 -1.548 446 1HB LYS 53 2HB LYS 53 16.952 7.074 -1.458 447 2HB LYS 53 1HB LYS 53 16.679 6.505 -3.104 448 1HG LYS 53 2HG LYS 53 14.619 8.174 -2.963 449 2HG LYS 53 1HG LYS 53 15.635 8.955 -1.752 450 1HD LYS 53 2HD LYS 53 16.841 8.162 -4.383 451 2HD LYS 53 1HD LYS 53 15.865 9.628 -4.290 452 1HE LYS 53 2HE LYS 53 17.382 10.719 -2.947 453 2HE LYS 53 1HE LYS 53 17.921 9.231 -2.169 454 1HZ LYS 53 3HZ LYS 53 19.069 8.633 -4.218 455 2HZ LYS 53 2HZ LYS 53 18.570 10.088 -4.937 456 3HZ LYS 53 1HZ LYS 53 19.632 10.113 -3.611 457 H LEU 54 H LEU 54 13.737 8.159 -1.331 458 HA LEU 54 HA LEU 54 13.876 7.992 1.612 459 1HB LEU 54 2HB LEU 54 13.565 10.095 -0.304 460 2HB LEU 54 1HB LEU 54 12.137 10.085 0.731 461 HG LEU 54 HG LEU 54 14.849 9.823 1.988 462 1HD1 LEU 54 2HD1 LEU 54 13.578 12.351 0.916 463 2HD1 LEU 54 1HD1 LEU 54 14.778 12.370 2.210 464 3HD1 LEU 54 3HD1 LEU 54 15.208 11.748 0.618 465 1HD2 LEU 54 3HD2 LEU 54 12.072 10.386 2.767 466 2HD2 LEU 54 2HD2 LEU 54 13.408 9.771 3.741 467 3HD2 LEU 54 1HD2 LEU 54 13.233 11.506 3.479 468 H ASP 55 H ASP 55 12.446 5.913 0.278 469 HA ASP 55 HA ASP 55 10.372 4.822 0.296 470 1HB ASP 55 2HB ASP 55 9.063 6.176 2.451 471 2HB ASP 55 1HB ASP 55 9.810 4.576 2.457 472 H ASN 56 H ASN 56 10.354 6.727 -1.603 473 HA ASN 56 HA ASN 56 7.882 8.326 -1.198 474 1HB ASN 56 2HB ASN 56 9.765 9.611 -2.035 475 2HB ASN 56 1HB ASN 56 10.022 8.444 -3.337 476 1HD2 ASN 56 2HD2 ASN 56 7.759 10.094 -5.456 477 2HD2 ASN 56 1HD2 ASN 56 9.125 9.098 -5.290 478 H ILE 57 H ILE 57 6.090 7.278 -1.765 479 HA ILE 57 HA ILE 57 5.901 4.950 -3.315 480 HB ILE 57 HB ILE 57 3.809 7.139 -3.169 481 1HG1 ILE 57 2HG1 ILE 57 4.006 4.726 -1.369 482 2HG1 ILE 57 1HG1 ILE 57 4.814 6.235 -0.951 483 1HG2 ILE 57 3HG2 ILE 57 3.883 4.325 -4.128 484 2HG2 ILE 57 2HG2 ILE 57 2.464 4.797 -3.194 485 3HG2 ILE 57 1HG2 ILE 57 2.880 5.670 -4.670 486 1HD1 ILE 57 2HD1 ILE 57 2.479 7.309 -1.460 487 2HD1 ILE 57 1HD1 ILE 57 1.875 5.672 -1.207 488 3HD1 ILE 57 3HD1 ILE 57 2.740 6.503 0.088 489 H ALA 58 H ALA 58 7.225 5.117 -5.155 490 HA ALA 58 HA ALA 58 6.669 7.230 -7.142 491 1HB ALA 58 2HB ALA 58 8.901 5.605 -6.516 492 2HB ALA 58 1HB ALA 58 8.373 5.112 -8.125 493 3HB ALA 58 3HB ALA 58 8.781 6.799 -7.810 494 H GLN 59 H GLN 59 5.827 3.923 -6.499 495 HA GLN 59 HA GLN 59 4.519 3.735 -9.185 496 1HB GLN 59 2HB GLN 59 6.258 1.952 -8.166 497 2HB GLN 59 1HB GLN 59 4.780 1.336 -7.427 498 1HG GLN 59 2HG GLN 59 4.082 0.467 -9.385 499 2HG GLN 59 1HG GLN 59 4.332 2.004 -10.214 500 1HE2 GLN 59 2HE2 GLN 59 7.540 1.114 -11.476 501 2HE2 GLN 59 1HE2 GLN 59 6.466 2.397 -11.186 502 H VAL 60 H VAL 60 2.306 3.877 -9.154 503 HA VAL 60 HA VAL 60 0.944 4.102 -6.591 504 HB VAL 60 HB VAL 60 -0.252 3.972 -9.364 505 1HG1 VAL 60 2HG1 VAL 60 -1.566 3.666 -7.039 506 2HG1 VAL 60 1HG1 VAL 60 -1.470 5.429 -7.059 507 3HG1 VAL 60 3HG1 VAL 60 -2.259 4.578 -8.386 508 1HG2 VAL 60 2HG2 VAL 60 0.970 6.183 -7.744 509 2HG2 VAL 60 1HG2 VAL 60 1.112 5.862 -9.472 510 3HG2 VAL 60 3HG2 VAL 60 -0.377 6.547 -8.822 511 HA PRO 61 HA PRO 61 -0.079 -0.230 -6.451 512 1HB PRO 61 2HB PRO 61 -1.367 -0.085 -4.035 513 2HB PRO 61 1HB PRO 61 0.393 -0.104 -4.200 514 1HG PRO 61 2HG PRO 61 -1.399 2.153 -3.482 515 2HG PRO 61 1HG PRO 61 0.327 1.942 -3.144 516 1HD PRO 61 2HD PRO 61 -0.828 3.563 -5.194 517 2HD PRO 61 1HD PRO 61 0.897 3.203 -4.959 518 H ARG 62 H ARG 62 -2.073 -1.531 -6.428 519 HA ARG 62 HA ARG 62 -4.643 -0.074 -6.516 520 1HB ARG 62 2HB ARG 62 -3.240 -1.086 -8.866 521 2HB ARG 62 1HB ARG 62 -4.842 -1.805 -8.691 522 1HG ARG 62 2HG ARG 62 -5.332 0.147 -9.871 523 2HG ARG 62 1HG ARG 62 -5.594 0.655 -8.204 524 1HD ARG 62 2HD ARG 62 -4.136 2.335 -8.660 525 2HD ARG 62 1HD ARG 62 -2.884 1.097 -8.553 526 HE ARG 62 HE ARG 62 -3.634 0.845 -11.151 527 1HH1 ARG 62 1HH2 ARG 62 -1.837 3.002 -9.363 528 2HH1 ARG 62 2HH2 ARG 62 -1.771 4.243 -10.571 529 1HH2 ARG 62 2HH1 ARG 62 -4.055 2.685 -12.660 530 2HH2 ARG 62 1HH1 ARG 62 -3.023 4.059 -12.442 531 H VAL 63 H VAL 63 -6.416 -1.447 -5.981 532 HA VAL 63 HA VAL 63 -5.630 -4.236 -5.240 533 HB VAL 63 HB VAL 63 -6.854 -2.121 -3.671 534 1HG1 VAL 63 2HG1 VAL 63 -8.384 -4.734 -3.866 535 2HG1 VAL 63 1HG1 VAL 63 -8.563 -3.580 -2.542 536 3HG1 VAL 63 3HG1 VAL 63 -9.010 -3.117 -4.187 537 1HG2 VAL 63 3HG2 VAL 63 -5.278 -4.535 -3.390 538 2HG2 VAL 63 2HG2 VAL 63 -5.367 -3.136 -2.320 539 3HG2 VAL 63 1HG2 VAL 63 -6.524 -4.457 -2.146 540 H GLY 64 H GLY 64 -6.918 -5.879 -5.984 541 1HA GLY 64 2HA GLY 64 -9.140 -6.702 -6.681 542 2HA GLY 64 1HA GLY 64 -9.438 -5.117 -7.398 No H/Q in entry = 542 Start of MODEL 8 Raw file had 552 H/Q atoms Start of MODEL 8 1 1H MET 1 2H MET 1 -13.826 1.944 -2.371 2 2H MET 1 1H MET 1 -14.527 3.249 -3.200 3 3H MET 1 3H MET 1 -15.441 1.857 -2.883 4 HA MET 1 HA MET 1 -14.176 0.555 -4.391 5 1HB MET 1 2HB MET 1 -15.945 1.969 -5.374 6 2HB MET 1 1HB MET 1 -14.783 3.280 -5.571 7 1HG MET 1 2HG MET 1 -13.948 0.685 -6.714 8 2HG MET 1 1HG MET 1 -15.328 1.443 -7.506 9 1HE MET 1 1HE MET 1 -15.450 3.874 -8.063 10 2HE MET 1 3HE MET 1 -14.516 4.648 -6.775 11 3HE MET 1 2HE MET 1 -14.099 4.930 -8.462 12 H LYS 2 H LYS 2 -12.460 3.035 -3.005 13 HA LYS 2 HA LYS 2 -10.457 3.786 -4.805 14 1HB LYS 2 2HB LYS 2 -10.812 3.808 -1.978 15 2HB LYS 2 1HB LYS 2 -9.201 3.170 -2.306 16 1HG LYS 2 2HG LYS 2 -10.270 5.697 -3.586 17 2HG LYS 2 1HG LYS 2 -9.325 5.693 -2.097 18 1HD LYS 2 2HD LYS 2 -7.455 4.605 -3.256 19 2HD LYS 2 1HD LYS 2 -8.401 4.533 -4.743 20 1HE LYS 2 2HE LYS 2 -8.468 7.224 -3.781 21 2HE LYS 2 1HE LYS 2 -6.788 6.688 -3.786 22 1HZ LYS 2 2HZ LYS 2 -7.721 5.718 -6.120 23 2HZ LYS 2 1HZ LYS 2 -8.566 7.188 -5.996 24 3HZ LYS 2 3HZ LYS 2 -6.871 7.179 -5.947 25 H THR 3 H THR 3 -10.032 1.976 -6.233 26 HA THR 3 HA THR 3 -8.689 -0.376 -5.008 27 HB THR 3 HB THR 3 -8.741 -1.289 -7.331 28 HG1 THR 3 HG1 THR 3 -9.829 -0.084 -8.901 29 1HG2 THR 3 2HG2 THR 3 -10.760 -1.222 -5.588 30 2HG2 THR 3 1HG2 THR 3 -11.510 -0.273 -6.871 31 3HG2 THR 3 3HG2 THR 3 -10.957 -1.915 -7.197 32 H GLU 4 H GLU 4 -8.074 2.495 -6.905 33 HA GLU 4 HA GLU 4 -5.221 1.714 -7.259 34 1HB GLU 4 2HB GLU 4 -6.303 4.323 -8.252 35 2HB GLU 4 1HB GLU 4 -5.100 3.260 -8.983 36 1HG GLU 4 2HG GLU 4 -6.829 1.665 -9.629 37 2HG GLU 4 1HG GLU 4 -8.060 2.625 -8.807 38 H TRP 5 H TRP 5 -3.721 3.715 -6.971 39 HA TRP 5 HA TRP 5 -4.600 5.481 -4.776 40 1HB TRP 5 2HB TRP 5 -2.248 3.583 -4.590 41 2HB TRP 5 1HB TRP 5 -2.461 4.969 -3.516 42 HD1 TRP 5 HD1 TRP 5 -4.742 4.979 -2.008 43 HE1 TRP 5 HE1 TRP 5 -6.027 3.000 -0.975 44 HE3 TRP 5 HE3 TRP 5 -2.970 1.146 -4.899 45 HZ2 TRP 5 HZ2 TRP 5 -6.278 0.181 -1.320 46 HZ3 TRP 5 HZ3 TRP 5 -3.753 -1.165 -4.515 47 HH2 TRP 5 HH2 TRP 5 -5.396 -1.651 -2.733 48 HA PRO 6 HA PRO 6 -1.555 7.111 -7.996 49 1HB PRO 6 2HB PRO 6 -3.336 8.613 -9.473 50 2HB PRO 6 1HB PRO 6 -2.862 6.960 -9.904 51 1HG PRO 6 2HG PRO 6 -5.394 7.922 -8.621 52 2HG PRO 6 1HG PRO 6 -5.140 6.544 -9.707 53 1HD PRO 6 2HD PRO 6 -5.434 6.326 -6.942 54 2HD PRO 6 1HD PRO 6 -4.650 5.113 -7.976 55 H GLU 7 H GLU 7 -4.277 8.258 -6.225 56 HA GLU 7 HA GLU 7 -3.439 11.037 -6.011 57 1HB GLU 7 2HB GLU 7 -5.513 9.304 -4.826 58 2HB GLU 7 1HB GLU 7 -4.901 10.548 -3.735 59 1HG GLU 7 2HG GLU 7 -5.219 11.866 -6.184 60 2HG GLU 7 1HG GLU 7 -6.640 10.831 -6.057 61 H LEU 8 H LEU 8 -2.491 8.047 -4.590 62 HA LEU 8 HA LEU 8 -1.277 9.320 -2.247 63 1HB LEU 8 2HB LEU 8 -1.661 7.273 -1.400 64 2HB LEU 8 1HB LEU 8 -2.106 6.673 -2.988 65 HG LEU 8 HG LEU 8 0.777 6.921 -2.097 66 1HD1 LEU 8 1HD1 LEU 8 -1.229 4.710 -1.691 67 2HD1 LEU 8 3HD1 LEU 8 0.495 4.361 -1.816 68 3HD1 LEU 8 2HD1 LEU 8 -0.102 5.404 -0.525 69 1HD2 LEU 8 1HD2 LEU 8 0.055 6.678 -4.578 70 2HD2 LEU 8 3HD2 LEU 8 1.249 5.537 -3.968 71 3HD2 LEU 8 2HD2 LEU 8 -0.435 5.045 -4.135 72 H VAL 9 H VAL 9 -0.478 9.063 -5.449 73 HA VAL 9 HA VAL 9 2.212 8.257 -5.501 74 HB VAL 9 HB VAL 9 0.781 10.423 -7.055 75 1HG1 VAL 9 1HG1 VAL 9 3.302 10.826 -6.849 76 2HG1 VAL 9 3HG1 VAL 9 3.518 9.291 -7.699 77 3HG1 VAL 9 2HG1 VAL 9 2.689 10.629 -8.493 78 1HG2 VAL 9 2HG2 VAL 9 0.233 7.937 -7.316 79 2HG2 VAL 9 1HG2 VAL 9 0.670 8.798 -8.790 80 3HG2 VAL 9 3HG2 VAL 9 1.853 7.759 -7.993 81 H GLY 10 H GLY 10 4.171 9.384 -5.275 82 1HA GLY 10 2HA GLY 10 5.631 10.987 -4.412 83 2HA GLY 10 1HA GLY 10 4.306 12.140 -4.537 84 H LYS 11 H LYS 11 3.119 9.635 -2.690 85 HA LYS 11 HA LYS 11 3.658 11.193 -0.230 86 1HB LYS 11 2HB LYS 11 1.409 9.796 -1.200 87 2HB LYS 11 1HB LYS 11 1.984 8.873 0.186 88 1HG LYS 11 2HG LYS 11 1.344 11.837 0.137 89 2HG LYS 11 1HG LYS 11 0.409 10.578 0.946 90 1HD LYS 11 2HD LYS 11 2.144 10.161 2.526 91 2HD LYS 11 1HD LYS 11 3.319 11.085 1.590 92 1HE LYS 11 2HE LYS 11 0.829 12.432 2.597 93 2HE LYS 11 1HE LYS 11 2.197 12.195 3.684 94 1HZ LYS 11 3HZ LYS 11 3.555 13.205 1.779 95 2HZ LYS 11 2HZ LYS 11 2.063 13.768 1.192 96 3HZ LYS 11 1HZ LYS 11 2.611 14.246 2.728 97 H SER 12 H SER 12 3.257 8.900 1.548 98 HA SER 12 HA SER 12 5.726 7.324 0.983 99 1HB SER 12 2HB SER 12 5.262 9.242 3.131 100 2HB SER 12 1HB SER 12 5.717 7.650 3.742 101 HG SER 12 HG SER 12 7.657 7.969 3.001 102 H VAL 13 H VAL 13 5.879 5.541 2.813 103 HA VAL 13 HA VAL 13 3.773 3.723 2.455 104 HB VAL 13 HB VAL 13 5.790 3.958 4.693 105 1HG1 VAL 13 1HG1 VAL 13 3.718 2.685 5.355 106 2HG1 VAL 13 3HG1 VAL 13 4.033 1.584 4.014 107 3HG1 VAL 13 2HG1 VAL 13 5.186 1.706 5.343 108 1HG2 VAL 13 3HG2 VAL 13 6.143 3.346 2.050 109 2HG2 VAL 13 2HG2 VAL 13 7.174 2.741 3.347 110 3HG2 VAL 13 1HG2 VAL 13 5.854 1.746 2.733 111 H GLU 14 H GLU 14 4.269 6.018 5.143 112 HA GLU 14 HA GLU 14 2.286 5.303 6.918 113 1HB GLU 14 2HB GLU 14 2.789 8.120 5.905 114 2HB GLU 14 1HB GLU 14 1.972 7.705 7.412 115 1HG GLU 14 2HG GLU 14 3.919 7.224 8.478 116 2HG GLU 14 1HG GLU 14 4.602 6.419 7.064 117 H GLU 15 H GLU 15 1.560 7.754 4.427 118 HA GLU 15 HA GLU 15 -1.261 7.493 4.559 119 1HB GLU 15 2HB GLU 15 0.603 8.978 3.067 120 2HB GLU 15 1HB GLU 15 -0.349 8.099 1.870 121 1HG GLU 15 2HG GLU 15 -1.328 10.329 2.507 122 2HG GLU 15 1HG GLU 15 -2.418 8.968 2.781 123 H ALA 16 H ALA 16 1.113 5.698 2.610 124 HA ALA 16 HA ALA 16 -0.775 4.371 0.932 125 1HB ALA 16 2HB ALA 16 2.050 3.894 1.760 126 2HB ALA 16 1HB ALA 16 1.176 2.529 1.066 127 3HB ALA 16 3HB ALA 16 1.358 4.021 0.143 128 H LYS 17 H LYS 17 1.059 2.504 3.361 129 HA LYS 17 HA LYS 17 -0.798 0.454 3.670 130 1HB LYS 17 2HB LYS 17 1.168 1.695 5.576 131 2HB LYS 17 1HB LYS 17 0.072 0.440 6.155 132 1HG LYS 17 2HG LYS 17 1.498 -0.077 3.588 133 2HG LYS 17 1HG LYS 17 2.453 -0.148 5.070 134 1HD LYS 17 2HD LYS 17 -0.143 -1.654 4.637 135 2HD LYS 17 1HD LYS 17 1.462 -2.360 4.445 136 1HE LYS 17 2HE LYS 17 0.104 -1.412 6.955 137 2HE LYS 17 1HE LYS 17 0.939 -2.936 6.652 138 1HZ LYS 17 3HZ LYS 17 3.019 -1.597 6.444 139 2HZ LYS 17 2HZ LYS 17 2.148 -0.253 7.011 140 3HZ LYS 17 1HZ LYS 17 2.346 -1.619 7.999 141 H LYS 18 H LYS 18 -0.908 3.687 4.980 142 HA LYS 18 HA LYS 18 -2.922 3.346 6.963 143 1HB LYS 18 2HB LYS 18 -1.898 5.631 5.324 144 2HB LYS 18 1HB LYS 18 -3.396 5.852 6.229 145 1HG LYS 18 2HG LYS 18 -0.943 4.699 7.555 146 2HG LYS 18 1HG LYS 18 -1.180 6.443 7.436 147 1HD LYS 18 2HD LYS 18 -2.588 6.387 9.187 148 2HD LYS 18 1HD LYS 18 -3.634 5.259 8.322 149 1HE LYS 18 2HE LYS 18 -1.810 3.490 9.038 150 2HE LYS 18 1HE LYS 18 -1.435 4.681 10.282 151 1HZ LYS 18 2HZ LYS 18 -4.204 4.440 10.160 152 2HZ LYS 18 1HZ LYS 18 -3.574 2.861 10.187 153 3HZ LYS 18 3HZ LYS 18 -3.171 3.954 11.419 154 H VAL 19 H VAL 19 -3.653 5.295 4.137 155 HA VAL 19 HA VAL 19 -6.423 4.702 4.140 156 HB VAL 19 HB VAL 19 -4.977 5.347 1.578 157 1HG1 VAL 19 1HG1 VAL 19 -7.624 5.204 2.271 158 2HG1 VAL 19 3HG1 VAL 19 -7.289 6.915 2.528 159 3HG1 VAL 19 2HG1 VAL 19 -6.995 6.188 0.949 160 1HG2 VAL 19 1HG2 VAL 19 -5.253 7.094 4.036 161 2HG2 VAL 19 3HG2 VAL 19 -3.798 6.784 3.084 162 3HG2 VAL 19 2HG2 VAL 19 -5.093 7.783 2.421 163 H ILE 20 H ILE 20 -3.826 3.252 2.171 164 HA ILE 20 HA ILE 20 -5.338 1.511 0.598 165 HB ILE 20 HB ILE 20 -2.667 1.025 1.949 166 1HG1 ILE 20 2HG1 ILE 20 -3.272 1.655 -0.946 167 2HG1 ILE 20 1HG1 ILE 20 -2.949 2.915 0.244 168 1HG2 ILE 20 3HG2 ILE 20 -4.393 -0.795 0.524 169 2HG2 ILE 20 2HG2 ILE 20 -2.927 -0.511 -0.414 170 3HG2 ILE 20 1HG2 ILE 20 -2.813 -1.107 1.242 171 1HD1 ILE 20 1HD1 ILE 20 -1.003 0.719 0.302 172 2HD1 ILE 20 3HD1 ILE 20 -1.026 1.593 -1.229 173 3HD1 ILE 20 2HD1 ILE 20 -0.730 2.460 0.276 174 H LEU 21 H LEU 21 -3.910 0.683 3.782 175 HA LEU 21 HA LEU 21 -4.867 -1.807 4.287 176 1HB LEU 21 2HB LEU 21 -3.674 -0.557 5.990 177 2HB LEU 21 1HB LEU 21 -5.035 0.556 6.174 178 HG LEU 21 HG LEU 21 -5.808 -2.259 6.466 179 1HD1 LEU 21 1HD1 LEU 21 -3.473 -1.205 7.926 180 2HD1 LEU 21 3HD1 LEU 21 -4.733 -1.873 8.963 181 3HD1 LEU 21 2HD1 LEU 21 -4.004 -2.873 7.706 182 1HD2 LEU 21 1HD2 LEU 21 -6.835 0.174 7.135 183 2HD2 LEU 21 3HD2 LEU 21 -7.313 -1.332 7.918 184 3HD2 LEU 21 2HD2 LEU 21 -6.100 -0.295 8.668 185 H GLN 22 H GLN 22 -6.905 1.083 4.169 186 HA GLN 22 HA GLN 22 -9.250 -0.701 3.971 187 1HB GLN 22 2HB GLN 22 -8.562 0.562 6.402 188 2HB GLN 22 1HB GLN 22 -9.929 1.463 5.743 189 1HG GLN 22 2HG GLN 22 -11.263 -0.541 5.556 190 2HG GLN 22 1HG GLN 22 -9.877 -1.566 5.948 191 1HE2 GLN 22 2HE2 GLN 22 -12.035 0.116 8.937 192 2HE2 GLN 22 1HE2 GLN 22 -12.457 0.333 7.307 193 H ASP 23 H ASP 23 -8.257 0.770 1.871 194 HA ASP 23 HA ASP 23 -9.483 3.403 1.754 195 1HB ASP 23 2HB ASP 23 -7.559 2.142 0.255 196 2HB ASP 23 1HB ASP 23 -8.959 2.065 -0.819 197 H LYS 24 H LYS 24 -10.266 0.258 0.208 198 HA LYS 24 HA LYS 24 -13.007 1.337 -0.175 199 1HB LYS 24 2HB LYS 24 -13.019 -0.983 -1.615 200 2HB LYS 24 1HB LYS 24 -12.622 0.589 -2.264 201 1HG LYS 24 2HG LYS 24 -10.273 0.249 -1.984 202 2HG LYS 24 1HG LYS 24 -10.522 -1.220 -1.061 203 1HD LYS 24 2HD LYS 24 -11.663 -1.086 -3.821 204 2HD LYS 24 1HD LYS 24 -9.920 -1.314 -3.645 205 1HE LYS 24 2HE LYS 24 -10.646 -3.153 -1.895 206 2HE LYS 24 1HE LYS 24 -12.162 -3.119 -2.795 207 1HZ LYS 24 2HZ LYS 24 -9.544 -3.374 -4.145 208 2HZ LYS 24 1HZ LYS 24 -10.398 -4.732 -3.581 209 3HZ LYS 24 3HZ LYS 24 -11.087 -3.727 -4.763 210 HA PRO 25 HA PRO 25 -14.259 -2.258 2.386 211 1HB PRO 25 2HB PRO 25 -13.309 -4.801 2.031 212 2HB PRO 25 1HB PRO 25 -14.583 -4.108 1.012 213 1HG PRO 25 2HG PRO 25 -11.757 -4.672 0.331 214 2HG PRO 25 1HG PRO 25 -13.146 -4.458 -0.744 215 1HD PRO 25 2HD PRO 25 -11.105 -2.534 -0.132 216 2HD PRO 25 1HD PRO 25 -12.543 -2.322 -1.141 217 H GLU 26 H GLU 26 -11.214 -3.988 1.933 218 HA GLU 26 HA GLU 26 -9.837 -2.750 4.172 219 1HB GLU 26 2HB GLU 26 -10.483 -5.691 4.455 220 2HB GLU 26 1HB GLU 26 -9.790 -4.604 5.657 221 1HG GLU 26 2HG GLU 26 -11.923 -3.361 5.763 222 2HG GLU 26 1HG GLU 26 -12.615 -4.453 4.560 223 H ALA 27 H ALA 27 -8.942 -2.764 1.678 224 HA ALA 27 HA ALA 27 -7.405 -5.207 1.156 225 1HB ALA 27 1HB ALA 27 -8.152 -2.783 -0.353 226 2HB ALA 27 3HB ALA 27 -6.523 -3.369 -0.685 227 3HB ALA 27 2HB ALA 27 -7.909 -4.433 -0.931 228 H GLN 28 H GLN 28 -5.479 -5.489 2.140 229 HA GLN 28 HA GLN 28 -4.090 -3.184 3.331 230 1HB GLN 28 2HB GLN 28 -4.371 -5.840 4.061 231 2HB GLN 28 1HB GLN 28 -2.719 -5.771 3.440 232 1HG GLN 28 2HG GLN 28 -2.207 -3.896 4.930 233 2HG GLN 28 1HG GLN 28 -3.873 -3.873 5.508 234 1HE2 GLN 28 2HE2 GLN 28 -1.724 -5.903 7.864 235 2HE2 GLN 28 1HE2 GLN 28 -1.593 -4.326 7.251 236 H ILE 29 H ILE 29 -1.487 -3.577 3.120 237 HA ILE 29 HA ILE 29 -0.829 -4.142 0.295 238 HB ILE 29 HB ILE 29 -1.350 -1.766 0.270 239 1HG1 ILE 29 2HG1 ILE 29 1.662 -2.038 0.389 240 2HG1 ILE 29 1HG1 ILE 29 0.705 -2.726 -0.923 241 1HG2 ILE 29 3HG2 ILE 29 -0.907 -1.553 2.799 242 2HG2 ILE 29 2HG2 ILE 29 0.794 -1.373 2.369 243 3HG2 ILE 29 1HG2 ILE 29 -0.390 -0.202 1.792 244 1HD1 ILE 29 2HD1 ILE 29 0.730 0.199 -0.114 245 2HD1 ILE 29 1HD1 ILE 29 1.557 -0.480 -1.516 246 3HD1 ILE 29 3HD1 ILE 29 -0.205 -0.495 -1.440 247 H ILE 30 H ILE 30 1.304 -4.721 -0.038 248 HA ILE 30 HA ILE 30 2.853 -5.388 2.395 249 HB ILE 30 HB ILE 30 3.025 -6.142 -0.525 250 1HG1 ILE 30 2HG1 ILE 30 1.483 -7.311 1.139 251 2HG1 ILE 30 1HG1 ILE 30 2.613 -8.361 0.284 252 1HG2 ILE 30 2HG2 ILE 30 5.218 -5.937 1.349 253 2HG2 ILE 30 1HG2 ILE 30 4.957 -7.619 0.884 254 3HG2 ILE 30 3HG2 ILE 30 5.247 -6.397 -0.357 255 1HD1 ILE 30 1HD1 ILE 30 3.188 -7.173 3.011 256 2HD1 ILE 30 3HD1 ILE 30 2.470 -8.768 2.782 257 3HD1 ILE 30 2HD1 ILE 30 4.094 -8.440 2.180 258 H VAL 31 H VAL 31 4.954 -4.491 2.754 259 HA VAL 31 HA VAL 31 5.446 -2.012 1.196 260 HB VAL 31 HB VAL 31 5.345 -1.786 3.646 261 1HG1 VAL 31 1HG1 VAL 31 6.801 -4.229 3.547 262 2HG1 VAL 31 3HG1 VAL 31 7.839 -3.038 4.332 263 3HG1 VAL 31 2HG1 VAL 31 6.232 -3.369 4.978 264 1HG2 VAL 31 1HG2 VAL 31 7.097 -0.583 2.052 265 2HG2 VAL 31 3HG2 VAL 31 7.174 -0.362 3.800 266 3HG2 VAL 31 2HG2 VAL 31 8.260 -1.502 3.006 267 H LEU 32 H LEU 32 7.061 -1.976 -0.313 268 HA LEU 32 HA LEU 32 9.389 -3.774 0.099 269 1HB LEU 32 2HB LEU 32 9.217 -4.823 -2.012 270 2HB LEU 32 1HB LEU 32 7.580 -4.872 -1.376 271 HG LEU 32 HG LEU 32 7.865 -2.414 -2.740 272 1HD1 LEU 32 2HD1 LEU 32 9.820 -4.016 -3.681 273 2HD1 LEU 32 1HD1 LEU 32 8.483 -4.602 -4.667 274 3HD1 LEU 32 3HD1 LEU 32 8.937 -2.904 -4.716 275 1HD2 LEU 32 2HD2 LEU 32 6.101 -4.578 -2.488 276 2HD2 LEU 32 1HD2 LEU 32 5.819 -3.118 -3.431 277 3HD2 LEU 32 3HD2 LEU 32 6.507 -4.547 -4.198 278 HA PRO 33 HA PRO 33 11.627 -0.354 -1.470 279 1HB PRO 33 2HB PRO 33 13.878 -1.663 -2.305 280 2HB PRO 33 1HB PRO 33 13.475 -1.428 -0.596 281 1HG PRO 33 2HG PRO 33 13.269 -3.909 -2.258 282 2HG PRO 33 1HG PRO 33 13.558 -3.745 -0.512 283 1HD PRO 33 2HD PRO 33 11.093 -4.403 -1.720 284 2HD PRO 33 1HD PRO 33 11.316 -3.875 -0.038 285 H VAL 34 H VAL 34 9.717 -1.342 -3.465 286 HA VAL 34 HA VAL 34 9.427 -1.580 -5.798 287 HB VAL 34 HB VAL 34 9.681 0.790 -5.775 288 1HG1 VAL 34 3HG1 VAL 34 12.667 0.286 -5.607 289 2HG1 VAL 34 2HG1 VAL 34 11.909 1.869 -5.783 290 3HG1 VAL 34 1HG1 VAL 34 11.650 0.927 -4.315 291 1HG2 VAL 34 2HG2 VAL 34 10.593 -0.847 -7.884 292 2HG2 VAL 34 1HG2 VAL 34 9.992 0.812 -8.005 293 3HG2 VAL 34 3HG2 VAL 34 11.721 0.512 -7.805 294 H GLY 35 H GLY 35 10.158 -3.554 -6.469 295 1HA GLY 35 2HA GLY 35 12.944 -3.634 -7.497 296 2HA GLY 35 1HA GLY 35 12.415 -4.916 -6.410 297 H THR 36 H THR 36 10.732 -6.374 -7.169 298 HA THR 36 HA THR 36 10.979 -7.021 -9.960 299 HB THR 36 HB THR 36 8.696 -8.188 -8.495 300 HG1 THR 36 HG1 THR 36 11.366 -8.655 -7.679 301 1HG2 THR 36 2HG2 THR 36 10.881 -8.990 -10.337 302 2HG2 THR 36 1HG2 THR 36 10.316 -10.221 -9.207 303 3HG2 THR 36 3HG2 THR 36 9.182 -9.465 -10.329 304 H ILE 37 H ILE 37 7.860 -6.627 -8.381 305 HA ILE 37 HA ILE 37 6.048 -5.217 -8.948 306 HB ILE 37 HB ILE 37 8.111 -3.833 -10.117 307 1HG1 ILE 37 2HG1 ILE 37 5.143 -3.299 -10.437 308 2HG1 ILE 37 1HG1 ILE 37 6.097 -2.914 -9.005 309 1HG2 ILE 37 3HG2 ILE 37 7.672 -5.166 -12.259 310 2HG2 ILE 37 2HG2 ILE 37 6.128 -4.321 -12.354 311 3HG2 ILE 37 1HG2 ILE 37 7.637 -3.412 -12.424 312 1HD1 ILE 37 2HD1 ILE 37 7.286 -1.893 -11.483 313 2HD1 ILE 37 1HD1 ILE 37 5.689 -1.222 -11.157 314 3HD1 ILE 37 3HD1 ILE 37 6.974 -1.058 -9.962 315 H VAL 38 H VAL 38 4.301 -6.280 -9.707 316 HA VAL 38 HA VAL 38 2.991 -7.718 -11.019 317 HB VAL 38 HB VAL 38 4.883 -6.635 -13.125 318 1HG1 VAL 38 2HG1 VAL 38 2.498 -8.469 -13.308 319 2HG1 VAL 38 1HG1 VAL 38 2.926 -7.407 -14.650 320 3HG1 VAL 38 3HG1 VAL 38 4.070 -8.626 -14.090 321 1HG2 VAL 38 3HG2 VAL 38 2.025 -5.968 -12.346 322 2HG2 VAL 38 2HG2 VAL 38 3.440 -4.951 -12.077 323 3HG2 VAL 38 1HG2 VAL 38 2.884 -5.269 -13.720 324 H THR 39 H THR 39 3.338 -9.816 -10.402 325 HA THR 39 HA THR 39 4.179 -12.005 -10.519 326 HB THR 39 HB THR 39 6.128 -11.304 -12.667 327 HG1 THR 39 HG1 THR 39 3.369 -11.504 -13.218 328 1HG2 THR 39 2HG2 THR 39 5.331 -13.635 -11.655 329 2HG2 THR 39 1HG2 THR 39 4.034 -13.429 -12.832 330 3HG2 THR 39 3HG2 THR 39 5.713 -13.466 -13.368 331 1H GLU 41 2H GLU 41 -9.805 -13.634 -7.011 332 2H GLU 41 1H GLU 41 -9.469 -14.425 -8.477 333 3H GLU 41 3H GLU 41 -8.602 -13.031 -8.049 334 HA GLU 41 HA GLU 41 -10.048 -11.925 -9.313 335 1HB GLU 41 2HB GLU 41 -11.960 -14.255 -8.943 336 2HB GLU 41 1HB GLU 41 -12.147 -12.934 -10.099 337 1HG GLU 41 2HG GLU 41 -9.601 -13.816 -10.653 338 2HG GLU 41 1HG GLU 41 -10.429 -15.319 -10.244 339 H TYR 42 H TYR 42 -9.890 -11.813 -6.372 340 HA TYR 42 HA TYR 42 -12.586 -10.624 -5.869 341 1HB TYR 42 2HB TYR 42 -12.545 -11.420 -3.597 342 2HB TYR 42 1HB TYR 42 -12.202 -12.803 -4.636 343 HD1 TYR 42 HD1 TYR 42 -9.722 -13.385 -5.072 344 HD2 TYR 42 HD2 TYR 42 -11.027 -10.793 -1.905 345 HE1 TYR 42 HE1 TYR 42 -7.574 -13.739 -3.898 346 HE2 TYR 42 HE2 TYR 42 -8.878 -11.147 -0.731 347 HH TYR 42 HH TYR 42 -6.486 -11.810 -1.427 348 H ARG 43 H ARG 43 -11.882 -9.621 -3.288 349 HA ARG 43 HA ARG 43 -10.190 -7.339 -4.123 350 1HB ARG 43 2HB ARG 43 -11.038 -6.230 -2.147 351 2HB ARG 43 1HB ARG 43 -12.401 -7.005 -2.954 352 1HG ARG 43 2HG ARG 43 -11.604 -9.028 -1.326 353 2HG ARG 43 1HG ARG 43 -11.138 -7.640 -0.339 354 1HD ARG 43 2HD ARG 43 -13.463 -6.718 -0.700 355 2HD ARG 43 1HD ARG 43 -13.888 -8.247 -1.469 356 HE ARG 43 HE ARG 43 -13.823 -7.828 1.336 357 1HH1 ARG 43 2HH1 ARG 43 -14.229 -10.246 -0.843 358 2HH1 ARG 43 1HH1 ARG 43 -13.521 -11.509 0.106 359 1HH2 ARG 43 1HH2 ARG 43 -12.218 -9.352 2.488 360 2HH2 ARG 43 2HH2 ARG 43 -12.381 -11.004 1.991 361 H ILE 44 H ILE 44 -8.258 -8.979 -4.065 362 HA ILE 44 HA ILE 44 -7.277 -10.144 -1.721 363 HB ILE 44 HB ILE 44 -6.028 -10.376 -3.803 364 1HG1 ILE 44 2HG1 ILE 44 -3.896 -8.950 -2.479 365 2HG1 ILE 44 1HG1 ILE 44 -4.915 -9.726 -1.264 366 1HG2 ILE 44 1HG2 ILE 44 -6.441 -7.591 -3.963 367 2HG2 ILE 44 3HG2 ILE 44 -4.697 -7.802 -3.804 368 3HG2 ILE 44 2HG2 ILE 44 -5.566 -8.600 -5.116 369 1HD1 ILE 44 1HD1 ILE 44 -4.762 -11.842 -2.684 370 2HD1 ILE 44 3HD1 ILE 44 -3.493 -11.029 -3.598 371 3HD1 ILE 44 2HD1 ILE 44 -3.273 -11.352 -1.878 372 H ASP 45 H ASP 45 -6.151 -9.355 0.090 373 HA ASP 45 HA ASP 45 -6.412 -6.423 0.436 374 1HB ASP 45 2HB ASP 45 -6.706 -6.786 2.727 375 2HB ASP 45 1HB ASP 45 -7.470 -8.211 2.020 376 H ARG 46 H ARG 46 -4.310 -7.238 -1.130 377 HA ARG 46 HA ARG 46 -2.026 -6.321 0.505 378 1HB ARG 46 2HB ARG 46 -2.398 -9.072 -0.371 379 2HB ARG 46 1HB ARG 46 -0.932 -8.377 -1.061 380 1HG ARG 46 2HG ARG 46 -0.345 -7.574 1.270 381 2HG ARG 46 1HG ARG 46 -1.687 -8.557 1.863 382 1HD ARG 46 2HD ARG 46 -0.610 -10.505 0.582 383 2HD ARG 46 1HD ARG 46 0.825 -9.483 0.460 384 HE ARG 46 HE ARG 46 -0.082 -9.609 3.193 385 1HH1 ARG 46 1HH2 ARG 46 0.800 -11.979 0.927 386 2HH1 ARG 46 2HH2 ARG 46 2.040 -12.683 1.912 387 1HH2 ARG 46 2HH1 ARG 46 1.822 -10.266 4.387 388 2HH2 ARG 46 1HH1 ARG 46 2.618 -11.714 3.869 389 H VAL 47 H VAL 47 -0.332 -5.448 -0.843 390 HA VAL 47 HA VAL 47 -0.737 -5.410 -3.759 391 HB VAL 47 HB VAL 47 -0.337 -2.667 -2.838 392 1HG1 VAL 47 1HG1 VAL 47 -0.991 -3.535 -5.131 393 2HG1 VAL 47 3HG1 VAL 47 -2.588 -3.862 -4.458 394 3HG1 VAL 47 2HG1 VAL 47 -1.978 -2.209 -4.516 395 1HG2 VAL 47 2HG2 VAL 47 -2.844 -4.123 -1.972 396 2HG2 VAL 47 1HG2 VAL 47 -1.738 -3.198 -0.958 397 3HG2 VAL 47 3HG2 VAL 47 -2.750 -2.373 -2.137 398 H ARG 48 H ARG 48 1.138 -3.675 -4.582 399 HA ARG 48 HA ARG 48 3.577 -4.552 -3.084 400 1HB ARG 48 2HB ARG 48 3.079 -4.020 -6.009 401 2HB ARG 48 1HB ARG 48 4.713 -4.061 -5.345 402 1HG ARG 48 2HG ARG 48 2.660 -6.293 -5.310 403 2HG ARG 48 1HG ARG 48 4.205 -6.281 -6.157 404 1HD ARG 48 2HD ARG 48 5.322 -6.041 -3.881 405 2HD ARG 48 1HD ARG 48 3.746 -6.374 -3.162 406 HE ARG 48 HE ARG 48 4.464 -8.391 -5.113 407 1HH1 ARG 48 2HH1 ARG 48 6.786 -7.974 -3.098 408 2HH1 ARG 48 1HH1 ARG 48 6.409 -9.205 -1.939 409 1HH2 ARG 48 1HH2 ARG 48 3.177 -9.682 -3.104 410 2HH2 ARG 48 2HH2 ARG 48 4.366 -10.173 -1.943 411 H LEU 49 H LEU 49 3.289 -2.627 -1.680 412 HA LEU 49 HA LEU 49 3.325 0.029 -2.731 413 1HB LEU 49 2HB LEU 49 2.986 -0.875 -0.249 414 2HB LEU 49 1HB LEU 49 4.714 -0.535 -0.148 415 HG LEU 49 HG LEU 49 2.497 1.396 -0.862 416 1HD1 LEU 49 3HD1 LEU 49 2.982 0.977 1.551 417 2HD1 LEU 49 2HD1 LEU 49 4.647 1.487 1.270 418 3HD1 LEU 49 1HD1 LEU 49 3.327 2.633 1.058 419 1HD2 LEU 49 1HD2 LEU 49 4.442 1.689 -2.391 420 2HD2 LEU 49 3HD2 LEU 49 4.248 3.060 -1.299 421 3HD2 LEU 49 2HD2 LEU 49 5.495 1.852 -0.986 422 H PHE 50 H PHE 50 4.834 0.234 -4.337 423 HA PHE 50 HA PHE 50 7.636 -0.529 -3.966 424 1HB PHE 50 2HB PHE 50 5.903 0.605 -6.087 425 2HB PHE 50 1HB PHE 50 7.588 1.130 -6.142 426 HD1 PHE 50 HD1 PHE 50 6.583 -2.153 -4.771 427 HD2 PHE 50 HD2 PHE 50 8.069 -0.041 -8.205 428 HE1 PHE 50 HE1 PHE 50 7.136 -4.302 -5.857 429 HE2 PHE 50 HE2 PHE 50 8.650 -2.195 -9.275 430 HZ PHE 50 HZ PHE 50 8.183 -4.325 -8.101 431 H VAL 51 H VAL 51 9.192 0.864 -3.067 432 HA VAL 51 HA VAL 51 8.294 3.678 -2.620 433 HB VAL 51 HB VAL 51 10.061 3.618 -0.754 434 1HG1 VAL 51 3HG1 VAL 51 7.352 2.972 -0.830 435 2HG1 VAL 51 2HG1 VAL 51 8.071 1.646 0.084 436 3HG1 VAL 51 1HG1 VAL 51 8.293 3.310 0.624 437 1HG2 VAL 51 1HG2 VAL 51 10.633 1.162 -1.906 438 2HG2 VAL 51 3HG2 VAL 51 11.151 1.684 -0.304 439 3HG2 VAL 51 2HG2 VAL 51 9.684 0.723 -0.487 440 H ASP 52 H ASP 52 10.491 5.037 -2.092 441 HA ASP 52 HA ASP 52 12.215 4.594 -4.491 442 1HB ASP 52 2HB ASP 52 12.247 6.883 -4.910 443 2HB ASP 52 1HB ASP 52 10.625 6.689 -4.255 444 H LYS 53 H LYS 53 13.990 6.764 -3.593 445 HA LYS 53 HA LYS 53 15.833 5.201 -2.026 446 1HB LYS 53 2HB LYS 53 15.886 8.179 -2.503 447 2HB LYS 53 1HB LYS 53 17.264 7.103 -2.266 448 1HG LYS 53 2HG LYS 53 15.458 6.459 -4.550 449 2HG LYS 53 1HG LYS 53 16.433 7.918 -4.712 450 1HD LYS 53 2HD LYS 53 17.825 5.487 -3.700 451 2HD LYS 53 1HD LYS 53 17.365 5.494 -5.403 452 1HE LYS 53 2HE LYS 53 18.804 7.836 -4.153 453 2HE LYS 53 1HE LYS 53 19.686 6.454 -4.803 454 1HZ LYS 53 2HZ LYS 53 17.615 7.599 -6.501 455 2HZ LYS 53 1HZ LYS 53 19.010 8.541 -6.272 456 3HZ LYS 53 3HZ LYS 53 19.141 6.979 -6.915 457 H LEU 54 H LEU 54 13.943 8.168 -1.371 458 HA LEU 54 HA LEU 54 14.420 7.776 1.540 459 1HB LEU 54 2HB LEU 54 14.782 10.038 0.376 460 2HB LEU 54 1HB LEU 54 13.023 10.115 0.237 461 HG LEU 54 HG LEU 54 13.336 9.400 2.866 462 1HD1 LEU 54 2HD1 LEU 54 15.864 9.843 2.391 463 2HD1 LEU 54 1HD1 LEU 54 15.403 11.546 2.435 464 3HD1 LEU 54 3HD1 LEU 54 15.145 10.525 3.850 465 1HD2 LEU 54 3HD2 LEU 54 12.901 11.966 1.399 466 2HD2 LEU 54 2HD2 LEU 54 11.824 11.108 2.500 467 3HD2 LEU 54 1HD2 LEU 54 13.165 12.057 3.142 468 H ASP 55 H ASP 55 12.716 5.916 0.360 469 HA ASP 55 HA ASP 55 10.512 5.090 0.381 470 1HB ASP 55 2HB ASP 55 9.380 6.037 2.683 471 2HB ASP 55 1HB ASP 55 10.484 4.662 2.612 472 H ASN 56 H ASN 56 10.182 6.766 -1.441 473 HA ASN 56 HA ASN 56 7.916 8.541 -0.659 474 1HB ASN 56 2HB ASN 56 9.705 10.052 -1.175 475 2HB ASN 56 1HB ASN 56 10.188 9.099 -2.580 476 1HD2 ASN 56 2HD2 ASN 56 8.312 11.530 -4.395 477 2HD2 ASN 56 1HD2 ASN 56 9.875 11.025 -3.965 478 H ILE 57 H ILE 57 6.436 7.016 -1.238 479 HA ILE 57 HA ILE 57 6.154 5.179 -3.153 480 HB ILE 57 HB ILE 57 4.018 7.300 -2.885 481 1HG1 ILE 57 2HG1 ILE 57 4.721 4.989 -1.048 482 2HG1 ILE 57 1HG1 ILE 57 4.739 6.704 -0.638 483 1HG2 ILE 57 3HG2 ILE 57 4.203 4.522 -3.908 484 2HG2 ILE 57 2HG2 ILE 57 2.772 4.897 -2.950 485 3HG2 ILE 57 1HG2 ILE 57 3.133 5.832 -4.401 486 1HD1 ILE 57 2HD1 ILE 57 2.267 5.175 -1.493 487 2HD1 ILE 57 1HD1 ILE 57 2.685 5.555 0.178 488 3HD1 ILE 57 3HD1 ILE 57 2.328 6.856 -0.958 489 H ALA 58 H ALA 58 7.566 5.636 -4.910 490 HA ALA 58 HA ALA 58 6.840 7.833 -6.748 491 1HB ALA 58 2HB ALA 58 9.244 7.149 -6.311 492 2HB ALA 58 1HB ALA 58 8.897 5.639 -7.153 493 3HB ALA 58 3HB ALA 58 8.791 7.174 -8.015 494 H GLN 59 H GLN 59 6.427 4.404 -6.342 495 HA GLN 59 HA GLN 59 4.977 4.269 -8.957 496 1HB GLN 59 2HB GLN 59 6.963 2.719 -8.655 497 2HB GLN 59 1HB GLN 59 6.071 1.948 -7.344 498 1HG GLN 59 2HG GLN 59 5.713 0.694 -9.408 499 2HG GLN 59 1HG GLN 59 4.206 1.479 -8.933 500 1HE2 GLN 59 2HE2 GLN 59 4.413 2.346 -12.465 501 2HE2 GLN 59 1HE2 GLN 59 3.943 1.056 -11.466 502 H VAL 60 H VAL 60 2.779 3.918 -8.793 503 HA VAL 60 HA VAL 60 1.654 3.704 -6.090 504 HB VAL 60 HB VAL 60 0.328 3.963 -8.797 505 1HG1 VAL 60 3HG1 VAL 60 -1.047 2.843 -6.970 506 2HG1 VAL 60 2HG1 VAL 60 -0.899 4.343 -6.053 507 3HG1 VAL 60 1HG1 VAL 60 -1.729 4.339 -7.609 508 1HG2 VAL 60 2HG2 VAL 60 1.800 5.845 -7.745 509 2HG2 VAL 60 1HG2 VAL 60 0.195 6.260 -8.346 510 3HG2 VAL 60 3HG2 VAL 60 0.456 6.031 -6.616 511 HA PRO 61 HA PRO 61 0.987 -0.670 -6.473 512 1HB PRO 61 2HB PRO 61 -0.378 -0.939 -4.102 513 2HB PRO 61 1HB PRO 61 1.385 -0.776 -4.194 514 1HG PRO 61 2HG PRO 61 -0.642 1.234 -3.335 515 2HG PRO 61 1HG PRO 61 1.067 1.102 -2.888 516 1HD PRO 61 2HD PRO 61 -0.027 2.905 -4.787 517 2HD PRO 61 1HD PRO 61 1.697 2.552 -4.545 518 H ARG 62 H ARG 62 -1.060 -2.127 -6.395 519 HA ARG 62 HA ARG 62 -3.599 -0.643 -6.696 520 1HB ARG 62 2HB ARG 62 -2.044 -1.274 -8.941 521 2HB ARG 62 1HB ARG 62 -3.315 -2.499 -8.907 522 1HG ARG 62 2HG ARG 62 -4.154 -0.612 -10.160 523 2HG ARG 62 1HG ARG 62 -4.987 -0.634 -8.605 524 1HD ARG 62 2HD ARG 62 -4.168 1.647 -9.273 525 2HD ARG 62 1HD ARG 62 -3.528 1.091 -7.729 526 HE ARG 62 HE ARG 62 -1.371 0.871 -8.741 527 1HH1 ARG 62 2HH1 ARG 62 -3.847 1.207 -11.097 528 2HH1 ARG 62 1HH1 ARG 62 -2.787 1.799 -12.330 529 1HH2 ARG 62 1HH2 ARG 62 0.014 1.821 -10.286 530 2HH2 ARG 62 2HH2 ARG 62 -0.602 2.147 -11.872 531 H VAL 63 H VAL 63 -5.303 -1.864 -5.997 532 HA VAL 63 HA VAL 63 -4.743 -4.733 -5.380 533 HB VAL 63 HB VAL 63 -6.302 -2.575 -4.024 534 1HG1 VAL 63 3HG1 VAL 63 -8.000 -4.348 -4.519 535 2HG1 VAL 63 2HG1 VAL 63 -6.967 -5.521 -3.701 536 3HG1 VAL 63 1HG1 VAL 63 -7.673 -4.182 -2.793 537 1HG2 VAL 63 3HG2 VAL 63 -4.430 -4.815 -3.269 538 2HG2 VAL 63 2HG2 VAL 63 -4.235 -3.081 -3.019 539 3HG2 VAL 63 1HG2 VAL 63 -5.392 -3.985 -2.045 540 H GLY 64 H GLY 64 -6.368 -6.289 -5.899 541 1HA GLY 64 2HA GLY 64 -8.523 -6.920 -6.841 542 2HA GLY 64 1HA GLY 64 -8.609 -5.334 -7.612 No H/Q in entry = 542 Start of MODEL 9 Raw file had 552 H/Q atoms Start of MODEL 9 1 1H MET 1 2H MET 1 -14.080 4.049 -1.975 2 2H MET 1 1H MET 1 -15.641 3.696 -2.544 3 3H MET 1 3H MET 1 -14.986 2.801 -1.261 4 HA MET 1 HA MET 1 -14.027 1.372 -2.628 5 1HB MET 1 2HB MET 1 -14.748 1.416 -4.991 6 2HB MET 1 1HB MET 1 -16.102 1.729 -3.905 7 1HG MET 1 2HG MET 1 -16.220 3.979 -4.474 8 2HG MET 1 1HG MET 1 -14.523 4.055 -4.949 9 1HE MET 1 2HE MET 1 -15.718 5.537 -6.435 10 2HE MET 1 1HE MET 1 -15.770 5.080 -8.137 11 3HE MET 1 3HE MET 1 -17.253 5.079 -7.170 12 H LYS 2 H LYS 2 -12.082 2.954 -1.837 13 HA LYS 2 HA LYS 2 -10.758 4.277 -4.106 14 1HB LYS 2 2HB LYS 2 -10.658 4.531 -1.301 15 2HB LYS 2 1HB LYS 2 -9.073 3.923 -1.779 16 1HG LYS 2 2HG LYS 2 -10.445 6.299 -3.071 17 2HG LYS 2 1HG LYS 2 -9.221 6.426 -1.806 18 1HD LYS 2 2HD LYS 2 -7.512 5.643 -3.186 19 2HD LYS 2 1HD LYS 2 -8.632 4.805 -4.262 20 1HE LYS 2 2HE LYS 2 -9.460 7.411 -4.518 21 2HE LYS 2 1HE LYS 2 -7.718 7.604 -4.320 22 1HZ LYS 2 2HZ LYS 2 -7.749 5.589 -6.017 23 2HZ LYS 2 1HZ LYS 2 -9.214 6.324 -6.468 24 3HZ LYS 2 3HZ LYS 2 -7.768 7.209 -6.530 25 H THR 3 H THR 3 -10.505 2.324 -5.447 26 HA THR 3 HA THR 3 -8.697 0.223 -4.415 27 HB THR 3 HB THR 3 -9.191 -0.962 -6.430 28 HG1 THR 3 HG1 THR 3 -8.978 0.425 -8.043 29 1HG2 THR 3 3HG2 THR 3 -11.453 0.509 -5.164 30 2HG2 THR 3 2HG2 THR 3 -11.798 -0.376 -6.650 31 3HG2 THR 3 1HG2 THR 3 -11.146 -1.226 -5.248 32 H GLU 4 H GLU 4 -8.463 3.220 -6.003 33 HA GLU 4 HA GLU 4 -5.760 2.502 -7.066 34 1HB GLU 4 2HB GLU 4 -6.799 5.169 -7.759 35 2HB GLU 4 1HB GLU 4 -6.100 3.930 -8.806 36 1HG GLU 4 2HG GLU 4 -8.426 2.707 -8.282 37 2HG GLU 4 1HG GLU 4 -8.956 4.374 -8.049 38 H TRP 5 H TRP 5 -4.207 4.391 -6.891 39 HA TRP 5 HA TRP 5 -4.696 6.149 -4.584 40 1HB TRP 5 2HB TRP 5 -2.483 4.077 -4.659 41 2HB TRP 5 1HB TRP 5 -2.558 5.399 -3.500 42 HD1 TRP 5 HD1 TRP 5 -4.803 5.458 -1.907 43 HE1 TRP 5 HE1 TRP 5 -6.114 3.482 -0.900 44 HE3 TRP 5 HE3 TRP 5 -3.258 1.681 -5.002 45 HZ2 TRP 5 HZ2 TRP 5 -6.450 0.684 -1.343 46 HZ3 TRP 5 HZ3 TRP 5 -4.085 -0.624 -4.665 47 HH2 TRP 5 HH2 TRP 5 -5.682 -1.118 -2.834 48 HA PRO 6 HA PRO 6 -1.803 7.491 -8.081 49 1HB PRO 6 2HB PRO 6 -3.538 9.171 -9.414 50 2HB PRO 6 1HB PRO 6 -3.272 7.479 -9.872 51 1HG PRO 6 2HG PRO 6 -5.571 8.687 -8.376 52 2HG PRO 6 1HG PRO 6 -5.558 7.305 -9.485 53 1HD PRO 6 2HD PRO 6 -5.637 7.075 -6.710 54 2HD PRO 6 1HD PRO 6 -5.049 5.807 -7.809 55 H GLU 7 H GLU 7 -4.277 8.973 -6.181 56 HA GLU 7 HA GLU 7 -3.074 11.620 -6.033 57 1HB GLU 7 2HB GLU 7 -5.206 10.125 -4.572 58 2HB GLU 7 1HB GLU 7 -4.460 11.489 -3.740 59 1HG GLU 7 2HG GLU 7 -6.040 12.696 -4.875 60 2HG GLU 7 1HG GLU 7 -4.869 12.590 -6.190 61 H LEU 8 H LEU 8 -2.474 8.540 -4.639 62 HA LEU 8 HA LEU 8 -1.031 9.560 -2.313 63 1HB LEU 8 2HB LEU 8 -2.110 7.490 -1.950 64 2HB LEU 8 1HB LEU 8 -1.578 6.855 -3.498 65 HG LEU 8 HG LEU 8 0.782 6.897 -2.641 66 1HD1 LEU 8 3HD1 LEU 8 0.199 8.625 -0.844 67 2HD1 LEU 8 2HD1 LEU 8 -0.548 7.305 0.053 68 3HD1 LEU 8 1HD1 LEU 8 1.179 7.265 -0.298 69 1HD2 LEU 8 2HD2 LEU 8 -0.954 4.943 -2.501 70 2HD2 LEU 8 1HD2 LEU 8 0.553 4.817 -1.592 71 3HD2 LEU 8 3HD2 LEU 8 -0.935 5.288 -0.774 72 H VAL 9 H VAL 9 -0.361 9.176 -5.601 73 HA VAL 9 HA VAL 9 2.298 8.211 -5.609 74 HB VAL 9 HB VAL 9 0.853 10.212 -7.354 75 1HG1 VAL 9 1HG1 VAL 9 3.314 10.828 -7.174 76 2HG1 VAL 9 3HG1 VAL 9 3.688 9.223 -7.811 77 3HG1 VAL 9 2HG1 VAL 9 2.790 10.374 -8.800 78 1HG2 VAL 9 2HG2 VAL 9 1.834 7.368 -7.602 79 2HG2 VAL 9 1HG2 VAL 9 0.197 7.986 -7.816 80 3HG2 VAL 9 3HG2 VAL 9 1.431 8.324 -9.028 81 H GLY 10 H GLY 10 4.308 9.343 -5.529 82 1HA GLY 10 2HA GLY 10 5.790 10.967 -4.734 83 2HA GLY 10 1HA GLY 10 4.482 12.130 -4.934 84 H LYS 11 H LYS 11 3.335 9.650 -2.990 85 HA LYS 11 HA LYS 11 3.751 11.330 -0.579 86 1HB LYS 11 2HB LYS 11 1.506 10.128 -1.521 87 2HB LYS 11 1HB LYS 11 2.092 8.881 -0.423 88 1HG LYS 11 2HG LYS 11 0.979 10.100 1.147 89 2HG LYS 11 1HG LYS 11 2.427 11.108 1.111 90 1HD LYS 11 2HD LYS 11 0.981 12.068 -1.035 91 2HD LYS 11 1HD LYS 11 -0.283 11.695 0.140 92 1HE LYS 11 2HE LYS 11 1.931 12.956 1.484 93 2HE LYS 11 1HE LYS 11 1.430 13.950 0.116 94 1HZ LYS 11 1HZ LYS 11 -0.530 12.809 2.013 95 2HZ LYS 11 3HZ LYS 11 0.228 14.299 2.305 96 3HZ LYS 11 2HZ LYS 11 -0.738 14.096 0.922 97 H SER 12 H SER 12 3.194 8.800 1.061 98 HA SER 12 HA SER 12 5.769 7.373 0.700 99 1HB SER 12 2HB SER 12 5.027 9.143 2.983 100 2HB SER 12 1HB SER 12 5.918 7.664 3.343 101 HG SER 12 HG SER 12 6.741 9.975 2.131 102 H VAL 13 H VAL 13 5.899 5.494 2.259 103 HA VAL 13 HA VAL 13 3.727 3.749 1.988 104 HB VAL 13 HB VAL 13 5.745 3.777 4.247 105 1HG1 VAL 13 1HG1 VAL 13 3.653 2.265 4.353 106 2HG1 VAL 13 3HG1 VAL 13 4.378 1.390 3.004 107 3HG1 VAL 13 2HG1 VAL 13 5.224 1.486 4.550 108 1HG2 VAL 13 2HG2 VAL 13 6.069 3.430 1.414 109 2HG2 VAL 13 1HG2 VAL 13 7.293 3.322 2.680 110 3HG2 VAL 13 3HG2 VAL 13 6.376 1.889 2.216 111 H GLU 14 H GLU 14 4.440 6.004 4.638 112 HA GLU 14 HA GLU 14 2.657 5.248 6.596 113 1HB GLU 14 2HB GLU 14 2.156 7.900 6.647 114 2HB GLU 14 1HB GLU 14 3.665 7.206 7.237 115 1HG GLU 14 2HG GLU 14 3.633 7.729 4.334 116 2HG GLU 14 1HG GLU 14 3.501 9.175 5.333 117 H GLU 15 H GLU 15 1.613 7.779 4.324 118 HA GLU 15 HA GLU 15 -1.167 7.343 4.692 119 1HB GLU 15 2HB GLU 15 0.202 9.233 3.420 120 2HB GLU 15 1HB GLU 15 -0.131 8.215 2.018 121 1HG GLU 15 2HG GLU 15 -2.167 9.174 1.911 122 2HG GLU 15 1HG GLU 15 -2.564 8.331 3.407 123 H ALA 16 H ALA 16 1.142 5.778 2.522 124 HA ALA 16 HA ALA 16 -0.745 4.468 0.831 125 1HB ALA 16 3HB ALA 16 2.095 4.378 1.312 126 2HB ALA 16 2HB ALA 16 1.465 2.739 1.171 127 3HB ALA 16 1HB ALA 16 1.204 3.896 -0.130 128 H LYS 17 H LYS 17 1.243 2.474 2.974 129 HA LYS 17 HA LYS 17 -0.577 0.396 3.224 130 1HB LYS 17 2HB LYS 17 1.859 1.005 4.384 131 2HB LYS 17 1HB LYS 17 0.770 0.975 5.772 132 1HG LYS 17 2HG LYS 17 0.625 -1.222 3.730 133 2HG LYS 17 1HG LYS 17 1.885 -1.262 4.962 134 1HD LYS 17 2HD LYS 17 -0.296 -0.665 6.488 135 2HD LYS 17 1HD LYS 17 -1.033 -1.665 5.235 136 1HE LYS 17 2HE LYS 17 1.192 -2.393 7.140 137 2HE LYS 17 1HE LYS 17 -0.349 -3.215 6.891 138 1HZ LYS 17 3HZ LYS 17 0.662 -3.344 4.445 139 2HZ LYS 17 2HZ LYS 17 2.106 -3.357 5.341 140 3HZ LYS 17 1HZ LYS 17 0.922 -4.544 5.616 141 H LYS 18 H LYS 18 -0.523 3.468 4.879 142 HA LYS 18 HA LYS 18 -2.330 3.009 6.990 143 1HB LYS 18 2HB LYS 18 -1.137 5.088 6.860 144 2HB LYS 18 1HB LYS 18 -1.834 5.456 5.278 145 1HG LYS 18 2HG LYS 18 -3.910 5.999 6.175 146 2HG LYS 18 1HG LYS 18 -3.670 4.993 7.606 147 1HD LYS 18 2HD LYS 18 -2.595 6.644 8.743 148 2HD LYS 18 1HD LYS 18 -1.722 7.191 7.311 149 1HE LYS 18 2HE LYS 18 -3.159 8.905 7.109 150 2HE LYS 18 1HE LYS 18 -4.475 7.754 6.879 151 1HZ LYS 18 1HZ LYS 18 -3.797 7.824 9.599 152 2HZ LYS 18 3HZ LYS 18 -4.015 9.421 9.067 153 3HZ LYS 18 2HZ LYS 18 -5.259 8.280 8.861 154 H VAL 19 H VAL 19 -3.413 5.011 4.295 155 HA VAL 19 HA VAL 19 -6.148 4.246 4.614 156 HB VAL 19 HB VAL 19 -5.034 5.256 2.003 157 1HG1 VAL 19 3HG1 VAL 19 -7.605 4.904 3.129 158 2HG1 VAL 19 2HG1 VAL 19 -7.309 6.642 3.120 159 3HG1 VAL 19 1HG1 VAL 19 -7.205 5.722 1.619 160 1HG2 VAL 19 2HG2 VAL 19 -5.168 6.676 4.667 161 2HG2 VAL 19 1HG2 VAL 19 -3.839 6.650 3.505 162 3HG2 VAL 19 3HG2 VAL 19 -5.304 7.572 3.154 163 H ILE 20 H ILE 20 -3.745 3.235 2.168 164 HA ILE 20 HA ILE 20 -5.261 1.558 0.584 165 HB ILE 20 HB ILE 20 -2.493 1.064 1.713 166 1HG1 ILE 20 2HG1 ILE 20 -3.353 1.990 -1.040 167 2HG1 ILE 20 1HG1 ILE 20 -2.926 3.102 0.261 168 1HG2 ILE 20 1HG2 ILE 20 -4.210 -0.517 -0.142 169 2HG2 ILE 20 3HG2 ILE 20 -2.511 -0.337 -0.580 170 3HG2 ILE 20 2HG2 ILE 20 -2.951 -1.063 0.966 171 1HD1 ILE 20 2HD1 ILE 20 -0.774 1.541 0.402 172 2HD1 ILE 20 1HD1 ILE 20 -1.184 1.230 -1.284 173 3HD1 ILE 20 3HD1 ILE 20 -0.857 2.877 -0.747 174 H LEU 21 H LEU 21 -3.890 0.746 3.778 175 HA LEU 21 HA LEU 21 -4.634 -1.933 3.970 176 1HB LEU 21 2HB LEU 21 -3.370 -0.903 5.737 177 2HB LEU 21 1HB LEU 21 -4.686 0.221 6.093 178 HG LEU 21 HG LEU 21 -5.623 -2.526 6.162 179 1HD1 LEU 21 1HD1 LEU 21 -3.086 -1.849 7.572 180 2HD1 LEU 21 3HD1 LEU 21 -4.292 -2.757 8.485 181 3HD1 LEU 21 2HD1 LEU 21 -3.658 -3.406 6.971 182 1HD2 LEU 21 1HD2 LEU 21 -5.507 -0.170 8.052 183 2HD2 LEU 21 3HD2 LEU 21 -6.911 -0.829 7.213 184 3HD2 LEU 21 2HD2 LEU 21 -6.185 -1.721 8.550 185 H GLN 22 H GLN 22 -6.763 0.881 4.663 186 HA GLN 22 HA GLN 22 -9.029 -1.031 4.344 187 1HB GLN 22 2HB GLN 22 -8.251 0.387 6.747 188 2HB GLN 22 1HB GLN 22 -9.886 0.823 6.252 189 1HG GLN 22 2HG GLN 22 -10.663 -1.390 6.394 190 2HG GLN 22 1HG GLN 22 -9.040 -2.073 6.277 191 1HE2 GLN 22 2HE2 GLN 22 -9.983 -2.325 9.851 192 2HE2 GLN 22 1HE2 GLN 22 -10.486 -3.024 8.388 193 H ASP 23 H ASP 23 -8.126 0.823 2.365 194 HA ASP 23 HA ASP 23 -9.699 3.250 2.454 195 1HB ASP 23 2HB ASP 23 -9.346 3.151 -0.102 196 2HB ASP 23 1HB ASP 23 -7.897 3.264 0.897 197 H LYS 24 H LYS 24 -10.148 0.089 0.852 198 HA LYS 24 HA LYS 24 -12.998 0.777 0.399 199 1HB LYS 24 2HB LYS 24 -11.359 -1.583 -0.570 200 2HB LYS 24 1HB LYS 24 -13.010 -1.206 -1.065 201 1HG LYS 24 2HG LYS 24 -12.352 0.626 -2.314 202 2HG LYS 24 1HG LYS 24 -10.899 0.892 -1.351 203 1HD LYS 24 2HD LYS 24 -11.359 -1.345 -3.345 204 2HD LYS 24 1HD LYS 24 -10.246 0.009 -3.518 205 1HE LYS 24 2HE LYS 24 -9.578 -1.128 -1.053 206 2HE LYS 24 1HE LYS 24 -9.863 -2.506 -2.116 207 1HZ LYS 24 2HZ LYS 24 -8.382 -1.474 -3.746 208 2HZ LYS 24 1HZ LYS 24 -8.056 -0.214 -2.655 209 3HZ LYS 24 3HZ LYS 24 -7.584 -1.801 -2.281 210 HA PRO 25 HA PRO 25 -14.083 -2.442 3.433 211 1HB PRO 25 2HB PRO 25 -13.512 -5.093 3.019 212 2HB PRO 25 1HB PRO 25 -14.869 -4.268 2.233 213 1HG PRO 25 2HG PRO 25 -12.271 -5.131 1.067 214 2HG PRO 25 1HG PRO 25 -13.829 -4.869 0.266 215 1HD PRO 25 2HD PRO 25 -11.613 -3.100 0.252 216 2HD PRO 25 1HD PRO 25 -13.261 -2.742 -0.309 217 H GLU 26 H GLU 26 -11.238 -4.329 2.416 218 HA GLU 26 HA GLU 26 -9.533 -3.231 4.509 219 1HB GLU 26 2HB GLU 26 -10.122 -6.189 4.710 220 2HB GLU 26 1HB GLU 26 -9.274 -5.157 5.860 221 1HG GLU 26 2HG GLU 26 -11.376 -3.965 6.351 222 2HG GLU 26 1HG GLU 26 -12.227 -4.983 5.188 223 H ALA 27 H ALA 27 -8.870 -3.029 1.986 224 HA ALA 27 HA ALA 27 -7.456 -5.453 1.096 225 1HB ALA 27 2HB ALA 27 -8.335 -2.938 -0.146 226 2HB ALA 27 1HB ALA 27 -6.705 -3.409 -0.628 227 3HB ALA 27 3HB ALA 27 -8.057 -4.516 -0.890 228 H GLN 28 H GLN 28 -5.459 -5.844 1.923 229 HA GLN 28 HA GLN 28 -3.954 -3.646 3.181 230 1HB GLN 28 2HB GLN 28 -4.240 -6.289 3.805 231 2HB GLN 28 1HB GLN 28 -2.692 -6.307 2.958 232 1HG GLN 28 2HG GLN 28 -1.755 -4.688 4.458 233 2HG GLN 28 1HG GLN 28 -3.332 -4.343 5.171 234 1HE2 GLN 28 2HE2 GLN 28 -2.920 -6.838 7.605 235 2HE2 GLN 28 1HE2 GLN 28 -3.608 -5.352 7.157 236 H ILE 29 H ILE 29 -1.429 -3.820 2.754 237 HA ILE 29 HA ILE 29 -0.912 -4.338 -0.107 238 HB ILE 29 HB ILE 29 -1.586 -1.973 0.021 239 1HG1 ILE 29 2HG1 ILE 29 1.397 -2.229 -0.402 240 2HG1 ILE 29 1HG1 ILE 29 0.209 -2.846 -1.543 241 1HG2 ILE 29 1HG2 ILE 29 -0.630 -1.811 2.451 242 2HG2 ILE 29 3HG2 ILE 29 0.892 -1.432 1.643 243 3HG2 ILE 29 2HG2 ILE 29 -0.519 -0.400 1.397 244 1HD1 ILE 29 3HD1 ILE 29 0.058 0.009 -0.604 245 2HD1 ILE 29 2HD1 ILE 29 1.148 -0.444 -1.912 246 3HD1 ILE 29 1HD1 ILE 29 -0.586 -0.706 -2.082 247 H ILE 30 H ILE 30 1.293 -4.680 -0.609 248 HA ILE 30 HA ILE 30 2.975 -5.362 1.749 249 HB ILE 30 HB ILE 30 2.879 -6.182 -1.140 250 1HG1 ILE 30 2HG1 ILE 30 1.650 -7.478 0.553 251 2HG1 ILE 30 1HG1 ILE 30 2.976 -8.433 -0.112 252 1HG2 ILE 30 3HG2 ILE 30 5.314 -5.839 0.446 253 2HG2 ILE 30 2HG2 ILE 30 5.099 -7.492 -0.134 254 3HG2 ILE 30 1HG2 ILE 30 5.129 -6.151 -1.282 255 1HD1 ILE 30 1HD1 ILE 30 4.366 -7.522 1.872 256 2HD1 ILE 30 3HD1 ILE 30 2.814 -7.065 2.573 257 3HD1 ILE 30 2HD1 ILE 30 3.159 -8.759 2.223 258 H VAL 31 H VAL 31 5.104 -4.436 1.976 259 HA VAL 31 HA VAL 31 5.519 -2.067 0.212 260 HB VAL 31 HB VAL 31 7.218 -1.907 2.485 261 1HG1 VAL 31 3HG1 VAL 31 4.780 -0.422 1.514 262 2HG1 VAL 31 2HG1 VAL 31 5.728 0.105 2.906 263 3HG1 VAL 31 1HG1 VAL 31 6.477 0.015 1.310 264 1HG2 VAL 31 1HG2 VAL 31 4.321 -2.549 3.120 265 2HG2 VAL 31 3HG2 VAL 31 5.748 -3.410 3.696 266 3HG2 VAL 31 2HG2 VAL 31 5.422 -1.770 4.257 267 H LEU 32 H LEU 32 7.340 -1.896 -0.946 268 HA LEU 32 HA LEU 32 9.714 -3.532 -0.317 269 1HB LEU 32 2HB LEU 32 9.727 -4.654 -2.487 270 2HB LEU 32 1HB LEU 32 8.220 -5.014 -1.663 271 HG LEU 32 HG LEU 32 8.040 -2.589 -3.259 272 1HD1 LEU 32 2HD1 LEU 32 9.679 -4.477 -4.406 273 2HD1 LEU 32 1HD1 LEU 32 8.097 -4.951 -5.022 274 3HD1 LEU 32 3HD1 LEU 32 8.704 -3.321 -5.311 275 1HD2 LEU 32 2HD2 LEU 32 6.221 -4.079 -2.219 276 2HD2 LEU 32 1HD2 LEU 32 5.963 -3.586 -3.891 277 3HD2 LEU 32 3HD2 LEU 32 6.551 -5.208 -3.534 278 HA PRO 33 HA PRO 33 11.735 -0.165 -2.270 279 1HB PRO 33 2HB PRO 33 13.984 -1.393 -3.232 280 2HB PRO 33 1HB PRO 33 13.700 -1.094 -1.509 281 1HG PRO 33 2HG PRO 33 13.536 -3.660 -3.021 282 2HG PRO 33 1HG PRO 33 13.911 -3.385 -1.308 283 1HD PRO 33 2HD PRO 33 11.427 -4.234 -2.347 284 2HD PRO 33 1HD PRO 33 11.716 -3.648 -0.697 285 H VAL 34 H VAL 34 9.864 -1.908 -4.049 286 HA VAL 34 HA VAL 34 9.185 -1.635 -6.297 287 HB VAL 34 HB VAL 34 11.881 -0.447 -6.941 288 1HG1 VAL 34 3HG1 VAL 34 9.726 -1.055 -8.489 289 2HG1 VAL 34 2HG1 VAL 34 9.362 0.615 -8.054 290 3HG1 VAL 34 1HG1 VAL 34 10.881 0.222 -8.864 291 1HG2 VAL 34 2HG2 VAL 34 9.863 0.600 -5.116 292 2HG2 VAL 34 1HG2 VAL 34 11.485 1.203 -5.455 293 3HG2 VAL 34 3HG2 VAL 34 10.134 1.679 -6.485 294 H GLY 35 H GLY 35 12.715 -2.037 -6.538 295 1HA GLY 35 2HA GLY 35 12.782 -3.994 -8.512 296 2HA GLY 35 1HA GLY 35 14.000 -3.868 -7.242 297 H THR 36 H THR 36 14.080 -5.465 -5.709 298 HA THR 36 HA THR 36 12.380 -7.805 -6.072 299 HB THR 36 HB THR 36 13.970 -7.723 -3.610 300 HG1 THR 36 HG1 THR 36 15.467 -6.539 -4.544 301 1HG2 THR 36 1HG2 THR 36 13.107 -9.575 -5.542 302 2HG2 THR 36 3HG2 THR 36 14.864 -9.527 -5.689 303 3HG2 THR 36 2HG2 THR 36 14.120 -9.905 -4.136 304 H ILE 37 H ILE 37 11.121 -8.755 -4.255 305 HA ILE 37 HA ILE 37 9.892 -6.603 -2.582 306 HB ILE 37 HB ILE 37 8.326 -7.600 -4.197 307 1HG1 ILE 37 2HG1 ILE 37 7.844 -8.543 -1.349 308 2HG1 ILE 37 1HG1 ILE 37 7.488 -6.929 -1.966 309 1HG2 ILE 37 1HG2 ILE 37 9.030 -10.201 -2.797 310 2HG2 ILE 37 3HG2 ILE 37 7.768 -10.008 -4.015 311 3HG2 ILE 37 2HG2 ILE 37 9.459 -9.773 -4.454 312 1HD1 ILE 37 3HD1 ILE 37 6.347 -9.204 -3.500 313 2HD1 ILE 37 2HD1 ILE 37 5.650 -8.907 -1.907 314 3HD1 ILE 37 1HD1 ILE 37 5.641 -7.631 -3.126 315 H VAL 38 H VAL 38 10.997 -9.976 -2.606 316 HA VAL 38 HA VAL 38 10.791 -10.016 0.368 317 HB VAL 38 HB VAL 38 11.060 -12.446 0.159 318 1HG1 VAL 38 3HG1 VAL 38 8.901 -10.892 -0.851 319 2HG1 VAL 38 2HG1 VAL 38 9.078 -12.289 -1.912 320 3HG1 VAL 38 1HG1 VAL 38 8.836 -12.522 -0.182 321 1HG2 VAL 38 3HG2 VAL 38 12.321 -11.802 -2.237 322 2HG2 VAL 38 2HG2 VAL 38 11.901 -13.429 -1.702 323 3HG2 VAL 38 1HG2 VAL 38 10.804 -12.536 -2.755 324 H THR 39 H THR 39 13.044 -9.920 -2.261 325 HA THR 39 HA THR 39 15.393 -10.146 -2.318 326 HB THR 39 HB THR 39 15.307 -7.919 -1.509 327 HG1 THR 39 HG1 THR 39 17.264 -9.203 -1.038 328 1HG2 THR 39 2HG2 THR 39 14.630 -9.077 1.210 329 2HG2 THR 39 1HG2 THR 39 14.870 -7.368 0.858 330 3HG2 THR 39 3HG2 THR 39 13.511 -8.232 0.140 331 1H GLU 41 2H GLU 41 -9.774 -8.360 -9.503 332 2H GLU 41 1H GLU 41 -10.196 -8.596 -11.131 333 3H GLU 41 3H GLU 41 -11.283 -7.833 -10.079 334 HA GLU 41 HA GLU 41 -12.184 -9.916 -10.117 335 1HB GLU 41 2HB GLU 41 -9.341 -10.716 -10.623 336 2HB GLU 41 1HB GLU 41 -10.453 -11.916 -9.962 337 1HG GLU 41 2HG GLU 41 -12.033 -10.985 -11.900 338 2HG GLU 41 1HG GLU 41 -10.482 -10.572 -12.633 339 H TYR 42 H TYR 42 -13.021 -9.967 -8.065 340 HA TYR 42 HA TYR 42 -13.121 -10.317 -5.748 341 1HB TYR 42 2HB TYR 42 -12.263 -12.463 -5.920 342 2HB TYR 42 1HB TYR 42 -10.768 -11.918 -6.668 343 HD1 TYR 42 HD2 TYR 42 -12.628 -11.639 -3.415 344 HD2 TYR 42 HD1 TYR 42 -8.831 -11.899 -5.404 345 HE1 TYR 42 HE2 TYR 42 -11.490 -11.748 -1.220 346 HE2 TYR 42 HE1 TYR 42 -7.692 -12.013 -3.210 347 HH TYR 42 HH TYR 42 -8.029 -12.373 -0.978 348 H ARG 43 H ARG 43 -12.161 -9.477 -3.732 349 HA ARG 43 HA ARG 43 -10.434 -7.126 -4.290 350 1HB ARG 43 2HB ARG 43 -11.216 -6.258 -2.189 351 2HB ARG 43 1HB ARG 43 -12.617 -6.917 -3.033 352 1HG ARG 43 2HG ARG 43 -11.683 -9.110 -1.641 353 2HG ARG 43 1HG ARG 43 -11.370 -7.789 -0.514 354 1HD ARG 43 2HD ARG 43 -13.960 -7.393 -1.683 355 2HD ARG 43 1HD ARG 43 -13.864 -9.047 -1.084 356 HE ARG 43 HE ARG 43 -14.120 -6.749 0.568 357 1HH1 ARG 43 2HH1 ARG 43 -11.646 -6.809 1.706 358 2HH1 ARG 43 1HH1 ARG 43 -11.584 -8.189 2.749 359 1HH2 ARG 43 1HH2 ARG 43 -14.312 -9.752 1.287 360 2HH2 ARG 43 2HH2 ARG 43 -13.092 -9.855 2.513 361 H ILE 44 H ILE 44 -8.540 -8.801 -4.507 362 HA ILE 44 HA ILE 44 -7.543 -10.227 -2.286 363 HB ILE 44 HB ILE 44 -6.348 -10.392 -4.390 364 1HG1 ILE 44 2HG1 ILE 44 -4.144 -9.035 -3.161 365 2HG1 ILE 44 1HG1 ILE 44 -5.131 -9.743 -1.877 366 1HG2 ILE 44 3HG2 ILE 44 -6.405 -7.440 -4.150 367 2HG2 ILE 44 2HG2 ILE 44 -4.892 -8.107 -4.762 368 3HG2 ILE 44 1HG2 ILE 44 -6.408 -8.449 -5.596 369 1HD1 ILE 44 3HD1 ILE 44 -4.520 -11.407 -4.297 370 2HD1 ILE 44 2HD1 ILE 44 -3.254 -11.181 -3.089 371 3HD1 ILE 44 1HD1 ILE 44 -4.793 -11.913 -2.630 372 H ASP 45 H ASP 45 -6.481 -9.582 -0.412 373 HA ASP 45 HA ASP 45 -6.657 -6.688 0.130 374 1HB ASP 45 2HB ASP 45 -6.600 -7.255 2.442 375 2HB ASP 45 1HB ASP 45 -7.628 -8.459 1.661 376 H ARG 46 H ARG 46 -4.631 -7.275 -1.626 377 HA ARG 46 HA ARG 46 -2.302 -6.417 -0.038 378 1HB ARG 46 2HB ARG 46 -1.915 -8.803 -0.072 379 2HB ARG 46 1HB ARG 46 -2.272 -8.886 -1.798 380 1HG ARG 46 2HG ARG 46 -0.328 -7.380 -2.233 381 2HG ARG 46 1HG ARG 46 0.057 -7.428 -0.513 382 1HD ARG 46 2HD ARG 46 1.004 -9.473 -0.680 383 2HD ARG 46 1HD ARG 46 -0.320 -10.093 -1.666 384 HE ARG 46 HE ARG 46 1.480 -8.285 -3.103 385 1HH1 ARG 46 1HH2 ARG 46 2.527 -11.003 -1.723 386 2HH1 ARG 46 2HH2 ARG 46 2.661 -11.967 -3.156 387 1HH2 ARG 46 2HH1 ARG 46 0.880 -9.742 -5.134 388 2HH2 ARG 46 1HH1 ARG 46 1.723 -11.256 -5.086 389 H VAL 47 H VAL 47 -0.659 -5.435 -1.404 390 HA VAL 47 HA VAL 47 -1.262 -5.044 -4.249 391 HB VAL 47 HB VAL 47 -0.795 -2.430 -3.026 392 1HG1 VAL 47 3HG1 VAL 47 -1.600 -3.051 -5.374 393 2HG1 VAL 47 2HG1 VAL 47 -3.167 -3.384 -4.635 394 3HG1 VAL 47 1HG1 VAL 47 -2.483 -1.759 -4.561 395 1HG2 VAL 47 3HG2 VAL 47 -3.313 -3.945 -2.264 396 2HG2 VAL 47 2HG2 VAL 47 -2.095 -3.318 -1.154 397 3HG2 VAL 47 1HG2 VAL 47 -3.099 -2.204 -2.081 398 H ARG 48 H ARG 48 0.578 -3.119 -4.886 399 HA ARG 48 HA ARG 48 3.073 -4.274 -3.712 400 1HB ARG 48 2HB ARG 48 2.331 -3.406 -6.471 401 2HB ARG 48 1HB ARG 48 4.011 -3.212 -5.967 402 1HG ARG 48 2HG ARG 48 2.396 -5.785 -5.926 403 2HG ARG 48 1HG ARG 48 3.742 -5.408 -7.002 404 1HD ARG 48 2HD ARG 48 4.865 -4.953 -4.548 405 2HD ARG 48 1HD ARG 48 3.779 -6.289 -4.183 406 HE ARG 48 HE ARG 48 6.223 -6.696 -5.391 407 1HH1 ARG 48 1HH2 ARG 48 5.179 -6.437 -8.067 408 2HH1 ARG 48 2HH2 ARG 48 4.501 -7.994 -8.414 409 1HH2 ARG 48 2HH1 ARG 48 4.377 -8.974 -5.090 410 2HH2 ARG 48 1HH1 ARG 48 4.049 -9.430 -6.729 411 H LEU 49 H LEU 49 2.598 -2.479 -2.002 412 HA LEU 49 HA LEU 49 2.911 0.274 -2.621 413 1HB LEU 49 2HB LEU 49 2.313 -0.684 -0.343 414 2HB LEU 49 1HB LEU 49 4.009 -1.092 -0.146 415 HG LEU 49 HG LEU 49 3.470 1.052 0.946 416 1HD1 LEU 49 3HD1 LEU 49 5.707 0.610 -0.250 417 2HD1 LEU 49 2HD1 LEU 49 5.106 1.697 -1.508 418 3HD1 LEU 49 1HD1 LEU 49 5.316 2.284 0.142 419 1HD2 LEU 49 1HD2 LEU 49 2.658 1.888 -1.851 420 2HD2 LEU 49 3HD2 LEU 49 1.623 1.801 -0.420 421 3HD2 LEU 49 2HD2 LEU 49 2.908 3.010 -0.518 422 H PHE 50 H PHE 50 4.515 0.568 -4.189 423 HA PHE 50 HA PHE 50 7.245 -0.452 -3.706 424 1HB PHE 50 2HB PHE 50 5.869 1.136 -5.867 425 2HB PHE 50 1HB PHE 50 7.630 1.049 -5.817 426 HD1 PHE 50 HD2 PHE 50 6.640 -1.961 -4.418 427 HD2 PHE 50 HD1 PHE 50 6.657 0.062 -8.206 428 HE1 PHE 50 HE2 PHE 50 6.509 -4.139 -5.585 429 HE2 PHE 50 HE1 PHE 50 6.526 -2.119 -9.371 430 HZ PHE 50 HZ PHE 50 6.453 -4.221 -8.061 431 H VAL 51 H VAL 51 8.985 0.916 -3.082 432 HA VAL 51 HA VAL 51 8.189 3.711 -2.368 433 HB VAL 51 HB VAL 51 9.895 3.511 -0.506 434 1HG1 VAL 51 1HG1 VAL 51 7.238 2.885 -0.561 435 2HG1 VAL 51 3HG1 VAL 51 7.922 1.393 0.081 436 3HG1 VAL 51 2HG1 VAL 51 8.212 2.924 0.909 437 1HG2 VAL 51 1HG2 VAL 51 10.434 1.082 -1.842 438 2HG2 VAL 51 3HG2 VAL 51 11.144 1.644 -0.330 439 3HG2 VAL 51 2HG2 VAL 51 9.699 0.635 -0.303 440 H ASP 52 H ASP 52 10.512 4.880 -1.821 441 HA ASP 52 HA ASP 52 12.254 4.305 -4.175 442 1HB ASP 52 2HB ASP 52 12.220 6.505 -4.871 443 2HB ASP 52 1HB ASP 52 10.614 6.412 -4.160 444 H LYS 53 H LYS 53 14.028 6.487 -3.492 445 HA LYS 53 HA LYS 53 15.831 5.173 -1.729 446 1HB LYS 53 2HB LYS 53 15.753 8.122 -2.321 447 2HB LYS 53 1HB LYS 53 17.175 7.109 -2.056 448 1HG LYS 53 2HG LYS 53 16.329 5.817 -4.160 449 2HG LYS 53 1HG LYS 53 15.369 7.266 -4.466 450 1HD LYS 53 2HD LYS 53 17.746 8.428 -3.949 451 2HD LYS 53 1HD LYS 53 18.321 6.887 -4.587 452 1HE LYS 53 2HE LYS 53 17.685 7.405 -6.696 453 2HE LYS 53 1HE LYS 53 16.123 8.021 -6.158 454 1HZ LYS 53 1HZ LYS 53 18.175 9.750 -5.296 455 2HZ LYS 53 3HZ LYS 53 18.339 9.486 -6.965 456 3HZ LYS 53 2HZ LYS 53 16.874 10.080 -6.339 457 H LEU 54 H LEU 54 13.888 8.148 -1.271 458 HA LEU 54 HA LEU 54 14.267 7.895 1.665 459 1HB LEU 54 2HB LEU 54 13.666 10.094 -0.224 460 2HB LEU 54 1HB LEU 54 12.839 10.182 1.330 461 HG LEU 54 HG LEU 54 14.988 11.351 1.472 462 1HD1 LEU 54 3HD1 LEU 54 14.048 9.702 3.319 463 2HD1 LEU 54 2HD1 LEU 54 15.500 8.781 2.926 464 3HD1 LEU 54 1HD1 LEU 54 15.639 10.441 3.505 465 1HD2 LEU 54 2HD2 LEU 54 16.032 8.716 0.426 466 2HD2 LEU 54 1HD2 LEU 54 16.324 10.338 -0.203 467 3HD2 LEU 54 3HD2 LEU 54 17.074 9.830 1.309 468 H ASP 55 H ASP 55 12.574 5.953 0.539 469 HA ASP 55 HA ASP 55 10.381 5.108 0.638 470 1HB ASP 55 2HB ASP 55 9.335 6.607 2.830 471 2HB ASP 55 1HB ASP 55 9.941 4.949 2.836 472 H ASN 56 H ASN 56 10.200 6.650 -1.362 473 HA ASN 56 HA ASN 56 7.892 8.468 -0.872 474 1HB ASN 56 2HB ASN 56 9.261 10.133 -1.589 475 2HB ASN 56 1HB ASN 56 10.461 8.998 -2.192 476 1HD2 ASN 56 2HD2 ASN 56 7.531 10.343 -4.740 477 2HD2 ASN 56 1HD2 ASN 56 7.279 10.430 -3.065 478 H ILE 57 H ILE 57 6.310 7.080 -1.445 479 HA ILE 57 HA ILE 57 6.257 5.050 -3.314 480 HB ILE 57 HB ILE 57 3.982 7.019 -2.970 481 1HG1 ILE 57 2HG1 ILE 57 4.747 4.614 -1.286 482 2HG1 ILE 57 1HG1 ILE 57 4.802 6.298 -0.765 483 1HG2 ILE 57 1HG2 ILE 57 4.280 4.217 -3.992 484 2HG2 ILE 57 3HG2 ILE 57 2.770 4.694 -3.215 485 3HG2 ILE 57 2HG2 ILE 57 3.331 5.550 -4.651 486 1HD1 ILE 57 2HD1 ILE 57 2.293 6.344 -1.473 487 2HD1 ILE 57 1HD1 ILE 57 2.403 4.590 -1.354 488 3HD1 ILE 57 3HD1 ILE 57 2.728 5.591 0.060 489 H ALA 58 H ALA 58 7.533 5.535 -5.120 490 HA ALA 58 HA ALA 58 6.788 7.806 -6.849 491 1HB ALA 58 3HB ALA 58 9.058 5.939 -6.613 492 2HB ALA 58 2HB ALA 58 8.611 6.322 -8.277 493 3HB ALA 58 1HB ALA 58 9.035 7.618 -7.157 494 H GLN 59 H GLN 59 6.127 4.437 -6.522 495 HA GLN 59 HA GLN 59 4.632 4.504 -9.113 496 1HB GLN 59 2HB GLN 59 6.777 3.025 -9.020 497 2HB GLN 59 1HB GLN 59 5.813 1.965 -7.991 498 1HG GLN 59 2HG GLN 59 4.034 2.029 -9.820 499 2HG GLN 59 1HG GLN 59 5.252 2.785 -10.848 500 1HE2 GLN 59 2HE2 GLN 59 7.230 -0.196 -11.131 501 2HE2 GLN 59 1HE2 GLN 59 7.311 1.498 -11.187 502 H VAL 60 H VAL 60 2.565 4.749 -8.333 503 HA VAL 60 HA VAL 60 1.697 3.589 -5.837 504 HB VAL 60 HB VAL 60 0.345 5.044 -8.089 505 1HG1 VAL 60 2HG1 VAL 60 -0.912 3.145 -6.246 506 2HG1 VAL 60 1HG1 VAL 60 -1.582 4.761 -6.112 507 3HG1 VAL 60 3HG1 VAL 60 -1.589 3.940 -7.667 508 1HG2 VAL 60 1HG2 VAL 60 1.650 6.120 -6.150 509 2HG2 VAL 60 3HG2 VAL 60 0.014 6.718 -6.434 510 3HG2 VAL 60 2HG2 VAL 60 0.324 5.587 -5.116 511 HA PRO 61 HA PRO 61 0.555 -0.378 -7.507 512 1HB PRO 61 2HB PRO 61 -0.429 -1.373 -5.147 513 2HB PRO 61 1HB PRO 61 1.304 -1.240 -5.492 514 1HG PRO 61 2HG PRO 61 -0.366 0.405 -3.662 515 2HG PRO 61 1HG PRO 61 1.382 0.124 -3.642 516 1HD PRO 61 2HD PRO 61 0.041 2.450 -4.624 517 2HD PRO 61 1HD PRO 61 1.771 2.076 -4.762 518 H ARG 62 H ARG 62 -1.635 -1.816 -7.023 519 HA ARG 62 HA ARG 62 -3.998 -0.078 -6.704 520 1HB ARG 62 2HB ARG 62 -2.982 -0.553 -9.259 521 2HB ARG 62 1HB ARG 62 -4.313 -1.698 -9.099 522 1HG ARG 62 2HG ARG 62 -5.419 0.215 -9.866 523 2HG ARG 62 1HG ARG 62 -5.608 0.360 -8.117 524 1HD ARG 62 2HD ARG 62 -4.807 2.462 -9.343 525 2HD ARG 62 1HD ARG 62 -3.845 1.954 -7.954 526 HE ARG 62 HE ARG 62 -2.063 1.484 -9.432 527 1HH1 ARG 62 2HH1 ARG 62 -4.083 -0.137 -11.205 528 2HH1 ARG 62 1HH1 ARG 62 -3.817 0.642 -12.729 529 1HH2 ARG 62 1HH2 ARG 62 -2.123 3.339 -11.354 530 2HH2 ARG 62 2HH2 ARG 62 -2.703 2.610 -12.816 531 H VAL 63 H VAL 63 -5.834 -1.239 -6.082 532 HA VAL 63 HA VAL 63 -5.399 -4.163 -5.623 533 HB VAL 63 HB VAL 63 -6.635 -1.981 -4.031 534 1HG1 VAL 63 1HG1 VAL 63 -8.609 -3.415 -4.494 535 2HG1 VAL 63 3HG1 VAL 63 -7.713 -4.818 -3.911 536 3HG1 VAL 63 2HG1 VAL 63 -8.127 -3.511 -2.798 537 1HG2 VAL 63 1HG2 VAL 63 -4.846 -4.319 -3.689 538 2HG2 VAL 63 3HG2 VAL 63 -4.770 -2.726 -2.936 539 3HG2 VAL 63 2HG2 VAL 63 -5.878 -3.947 -2.309 540 H GLY 64 H GLY 64 -7.471 -1.741 -7.039 541 1HA GLY 64 2HA GLY 64 -9.773 -3.430 -7.445 542 2HA GLY 64 1HA GLY 64 -9.434 -1.935 -8.316 No H/Q in entry = 542 Start of MODEL 10 Raw file had 552 H/Q atoms Start of MODEL 10 1 1H MET 1 2H MET 1 -13.424 3.575 -4.249 2 2H MET 1 1H MET 1 -14.749 4.179 -3.373 3 3H MET 1 3H MET 1 -14.647 4.446 -5.045 4 HA MET 1 HA MET 1 -13.510 6.300 -4.742 5 1HB MET 1 2HB MET 1 -13.950 5.534 -1.855 6 2HB MET 1 1HB MET 1 -13.191 7.056 -2.321 7 1HG MET 1 2HG MET 1 -15.913 6.137 -3.289 8 2HG MET 1 1HG MET 1 -15.657 7.271 -1.963 9 1HE MET 1 2HE MET 1 -17.337 8.547 -3.291 10 2HE MET 1 1HE MET 1 -16.987 9.591 -4.668 11 3HE MET 1 3HE MET 1 -17.305 7.868 -4.917 12 H LYS 2 H LYS 2 -11.908 5.484 -1.818 13 HA LYS 2 HA LYS 2 -9.321 5.680 -3.047 14 1HB LYS 2 2HB LYS 2 -10.269 5.825 -0.466 15 2HB LYS 2 1HB LYS 2 -9.418 4.283 -0.463 16 1HG LYS 2 2HG LYS 2 -7.805 5.960 0.128 17 2HG LYS 2 1HG LYS 2 -7.454 5.476 -1.531 18 1HD LYS 2 2HD LYS 2 -7.377 7.870 -1.494 19 2HD LYS 2 1HD LYS 2 -8.894 7.433 -2.282 20 1HE LYS 2 2HE LYS 2 -9.527 9.101 -0.731 21 2HE LYS 2 1HE LYS 2 -9.940 7.592 0.081 22 1HZ LYS 2 3HZ LYS 2 -7.237 8.601 0.484 23 2HZ LYS 2 2HZ LYS 2 -8.489 9.483 1.218 24 3HZ LYS 2 1HZ LYS 2 -8.284 7.834 1.576 25 H THR 3 H THR 3 -8.958 4.120 -4.599 26 HA THR 3 HA THR 3 -8.701 1.312 -3.616 27 HB THR 3 HB THR 3 -9.642 0.567 -5.864 28 HG1 THR 3 HG1 THR 3 -10.955 3.018 -5.995 29 1HG2 THR 3 1HG2 THR 3 -11.003 1.451 -3.496 30 2HG2 THR 3 3HG2 THR 3 -12.020 1.793 -4.894 31 3HG2 THR 3 2HG2 THR 3 -11.453 0.149 -4.598 32 H GLU 4 H GLU 4 -8.061 3.697 -6.164 33 HA GLU 4 HA GLU 4 -5.747 2.149 -7.145 34 1HB GLU 4 2HB GLU 4 -7.257 4.584 -8.025 35 2HB GLU 4 1HB GLU 4 -5.585 4.411 -8.551 36 1HG GLU 4 2HG GLU 4 -6.343 3.064 -10.197 37 2HG GLU 4 1HG GLU 4 -6.719 1.874 -8.950 38 H TRP 5 H TRP 5 -6.451 5.114 -5.372 39 HA TRP 5 HA TRP 5 -5.008 6.507 -4.145 40 1HB TRP 5 2HB TRP 5 -3.064 4.202 -4.366 41 2HB TRP 5 1HB TRP 5 -3.056 5.487 -3.161 42 HD1 TRP 5 HD1 TRP 5 -5.417 5.532 -1.577 43 HE1 TRP 5 HE1 TRP 5 -6.582 3.501 -0.510 44 HE3 TRP 5 HE3 TRP 5 -3.617 1.783 -4.578 45 HZ2 TRP 5 HZ2 TRP 5 -6.724 0.675 -0.861 46 HZ3 TRP 5 HZ3 TRP 5 -4.284 -0.566 -4.164 47 HH2 TRP 5 HH2 TRP 5 -5.836 -1.122 -2.314 48 HA PRO 6 HA PRO 6 -2.301 6.804 -8.025 49 1HB PRO 6 2HB PRO 6 -3.817 8.496 -9.582 50 2HB PRO 6 1HB PRO 6 -3.873 6.731 -9.737 51 1HG PRO 6 2HG PRO 6 -5.850 8.570 -8.449 52 2HG PRO 6 1HG PRO 6 -6.119 7.006 -9.239 53 1HD PRO 6 2HD PRO 6 -6.028 7.410 -6.461 54 2HD PRO 6 1HD PRO 6 -5.835 5.851 -7.281 55 H GLU 7 H GLU 7 -4.479 8.948 -6.446 56 HA GLU 7 HA GLU 7 -2.891 11.366 -6.702 57 1HB GLU 7 2HB GLU 7 -4.778 10.768 -4.429 58 2HB GLU 7 1HB GLU 7 -4.401 12.331 -5.153 59 1HG GLU 7 2HG GLU 7 -5.952 10.072 -6.455 60 2HG GLU 7 1HG GLU 7 -6.602 11.622 -5.926 61 H LEU 8 H LEU 8 -2.476 8.475 -4.968 62 HA LEU 8 HA LEU 8 -1.179 9.695 -2.664 63 1HB LEU 8 2HB LEU 8 -1.453 7.656 -1.749 64 2HB LEU 8 1HB LEU 8 -2.316 7.213 -3.209 65 HG LEU 8 HG LEU 8 -0.687 5.517 -2.832 66 1HD1 LEU 8 3HD1 LEU 8 -0.474 7.222 -5.129 67 2HD1 LEU 8 2HD1 LEU 8 1.118 6.576 -4.736 68 3HD1 LEU 8 1HD1 LEU 8 -0.234 5.480 -5.018 69 1HD2 LEU 8 3HD2 LEU 8 0.810 7.660 -1.708 70 2HD2 LEU 8 2HD2 LEU 8 1.150 5.932 -1.633 71 3HD2 LEU 8 1HD2 LEU 8 1.803 6.904 -2.953 72 H VAL 9 H VAL 9 -0.306 9.213 -5.850 73 HA VAL 9 HA VAL 9 2.334 8.332 -5.820 74 HB VAL 9 HB VAL 9 1.043 10.546 -7.425 75 1HG1 VAL 9 1HG1 VAL 9 3.532 10.929 -7.167 76 2HG1 VAL 9 3HG1 VAL 9 3.789 9.338 -7.891 77 3HG1 VAL 9 2HG1 VAL 9 3.021 10.618 -8.831 78 1HG2 VAL 9 3HG2 VAL 9 1.909 7.704 -8.032 79 2HG2 VAL 9 2HG2 VAL 9 0.252 8.294 -7.909 80 3HG2 VAL 9 1HG2 VAL 9 1.281 8.829 -9.236 81 H GLY 10 H GLY 10 4.357 9.342 -5.539 82 1HA GLY 10 2HA GLY 10 5.889 10.862 -4.648 83 2HA GLY 10 1HA GLY 10 4.648 12.096 -4.840 84 H LYS 11 H LYS 11 3.291 9.671 -2.987 85 HA LYS 11 HA LYS 11 3.787 11.266 -0.540 86 1HB LYS 11 2HB LYS 11 1.493 10.128 -1.525 87 2HB LYS 11 1HB LYS 11 2.003 8.931 -0.332 88 1HG LYS 11 2HG LYS 11 1.141 10.265 1.262 89 2HG LYS 11 1HG LYS 11 2.413 11.430 0.892 90 1HD LYS 11 2HD LYS 11 0.937 12.843 -0.057 91 2HD LYS 11 1HD LYS 11 0.298 11.562 -1.087 92 1HE LYS 11 2HE LYS 11 -0.660 10.932 1.457 93 2HE LYS 11 1HE LYS 11 -0.813 12.685 1.360 94 1HZ LYS 11 3HZ LYS 11 -1.616 11.285 -1.030 95 2HZ LYS 11 2HZ LYS 11 -2.574 10.937 0.330 96 3HZ LYS 11 1HZ LYS 11 -2.392 12.542 -0.196 97 H SER 12 H SER 12 3.157 8.899 1.176 98 HA SER 12 HA SER 12 5.650 7.309 0.805 99 1HB SER 12 2HB SER 12 5.054 9.221 2.955 100 2HB SER 12 1HB SER 12 5.532 7.625 3.539 101 HG SER 12 HG SER 12 7.168 9.408 2.849 102 H VAL 13 H VAL 13 5.669 5.359 2.225 103 HA VAL 13 HA VAL 13 3.361 3.787 1.951 104 HB VAL 13 HB VAL 13 5.485 3.527 4.100 105 1HG1 VAL 13 3HG1 VAL 13 3.135 1.976 3.390 106 2HG1 VAL 13 2HG1 VAL 13 4.602 1.017 3.192 107 3HG1 VAL 13 1HG1 VAL 13 4.239 1.761 4.749 108 1HG2 VAL 13 1HG2 VAL 13 5.354 2.473 1.256 109 2HG2 VAL 13 3HG2 VAL 13 6.503 3.656 1.882 110 3HG2 VAL 13 2HG2 VAL 13 6.559 1.986 2.446 111 H GLU 14 H GLU 14 4.322 5.945 4.583 112 HA GLU 14 HA GLU 14 2.587 5.226 6.620 113 1HB GLU 14 2HB GLU 14 2.292 7.804 6.947 114 2HB GLU 14 1HB GLU 14 3.899 7.102 7.116 115 1HG GLU 14 2HG GLU 14 3.625 7.667 4.370 116 2HG GLU 14 1HG GLU 14 2.958 9.069 5.206 117 H GLU 15 H GLU 15 1.648 7.692 4.178 118 HA GLU 15 HA GLU 15 -1.154 7.486 4.759 119 1HB GLU 15 2HB GLU 15 0.451 9.089 3.131 120 2HB GLU 15 1HB GLU 15 -0.564 8.205 1.990 121 1HG GLU 15 2HG GLU 15 -2.227 9.645 2.468 122 2HG GLU 15 1HG GLU 15 -2.286 8.941 4.085 123 H ALA 16 H ALA 16 0.965 5.743 2.521 124 HA ALA 16 HA ALA 16 -1.112 4.486 1.017 125 1HB ALA 16 2HB ALA 16 1.735 4.288 1.229 126 2HB ALA 16 1HB ALA 16 1.062 2.661 1.312 127 3HB ALA 16 3HB ALA 16 0.697 3.698 -0.067 128 H LYS 17 H LYS 17 0.919 2.518 3.177 129 HA LYS 17 HA LYS 17 -0.922 0.509 3.694 130 1HB LYS 17 2HB LYS 17 1.374 1.647 5.177 131 2HB LYS 17 1HB LYS 17 0.231 0.734 6.161 132 1HG LYS 17 2HG LYS 17 0.816 -0.595 3.626 133 2HG LYS 17 1HG LYS 17 2.264 -0.350 4.602 134 1HD LYS 17 2HD LYS 17 0.151 -1.194 6.337 135 2HD LYS 17 1HD LYS 17 0.212 -2.300 4.964 136 1HE LYS 17 2HE LYS 17 1.977 -3.302 5.939 137 2HE LYS 17 1HE LYS 17 2.898 -1.825 5.661 138 1HZ LYS 17 2HZ LYS 17 2.033 -0.969 7.775 139 2HZ LYS 17 1HZ LYS 17 1.251 -2.453 8.050 140 3HZ LYS 17 3HZ LYS 17 2.944 -2.389 7.982 141 H LYS 18 H LYS 18 -0.647 3.627 5.341 142 HA LYS 18 HA LYS 18 -2.501 3.393 7.395 143 1HB LYS 18 2HB LYS 18 -1.282 5.444 7.105 144 2HB LYS 18 1HB LYS 18 -1.982 5.700 5.503 145 1HG LYS 18 2HG LYS 18 -3.674 6.844 6.453 146 2HG LYS 18 1HG LYS 18 -4.145 5.390 7.334 147 1HD LYS 18 2HD LYS 18 -3.738 6.915 9.068 148 2HD LYS 18 1HD LYS 18 -2.206 6.046 8.959 149 1HE LYS 18 2HE LYS 18 -1.523 7.908 7.278 150 2HE LYS 18 1HE LYS 18 -2.877 8.810 7.960 151 1HZ LYS 18 2HZ LYS 18 -1.137 7.572 9.908 152 2HZ LYS 18 1HZ LYS 18 -0.401 8.794 8.985 153 3HZ LYS 18 3HZ LYS 18 -1.801 9.135 9.880 154 H VAL 19 H VAL 19 -3.496 5.102 4.470 155 HA VAL 19 HA VAL 19 -6.272 4.430 4.880 156 HB VAL 19 HB VAL 19 -5.252 5.364 2.221 157 1HG1 VAL 19 3HG1 VAL 19 -7.737 5.163 3.508 158 2HG1 VAL 19 2HG1 VAL 19 -7.349 6.883 3.538 159 3HG1 VAL 19 1HG1 VAL 19 -7.399 6.018 2.003 160 1HG2 VAL 19 3HG2 VAL 19 -5.119 6.881 4.837 161 2HG2 VAL 19 2HG2 VAL 19 -3.850 6.699 3.624 162 3HG2 VAL 19 1HG2 VAL 19 -5.254 7.714 3.290 163 H ILE 20 H ILE 20 -3.991 3.488 2.279 164 HA ILE 20 HA ILE 20 -5.495 1.759 0.782 165 HB ILE 20 HB ILE 20 -2.701 1.219 1.832 166 1HG1 ILE 20 2HG1 ILE 20 -3.624 2.443 -0.787 167 2HG1 ILE 20 1HG1 ILE 20 -3.057 3.380 0.595 168 1HG2 ILE 20 2HG2 ILE 20 -4.396 -0.077 -0.292 169 2HG2 ILE 20 1HG2 ILE 20 -2.639 -0.051 -0.451 170 3HG2 ILE 20 3HG2 ILE 20 -3.387 -0.838 0.939 171 1HD1 ILE 20 1HD1 ILE 20 -1.017 1.631 0.394 172 2HD1 ILE 20 3HD1 ILE 20 -1.520 1.675 -1.296 173 3HD1 ILE 20 2HD1 ILE 20 -1.043 3.163 -0.478 174 H LEU 21 H LEU 21 -4.288 1.141 4.044 175 HA LEU 21 HA LEU 21 -4.736 -1.596 4.324 176 1HB LEU 21 2HB LEU 21 -3.830 -0.439 6.186 177 2HB LEU 21 1HB LEU 21 -5.180 0.698 6.234 178 HG LEU 21 HG LEU 21 -6.698 -1.191 6.838 179 1HD1 LEU 21 3HD1 LEU 21 -5.304 -2.986 5.819 180 2HD1 LEU 21 2HD1 LEU 21 -4.106 -2.748 7.091 181 3HD1 LEU 21 1HD1 LEU 21 -5.720 -3.335 7.497 182 1HD2 LEU 21 3HD2 LEU 21 -4.278 -0.791 8.625 183 2HD2 LEU 21 2HD2 LEU 21 -5.731 0.209 8.604 184 3HD2 LEU 21 1HD2 LEU 21 -5.820 -1.465 9.153 185 H GLN 22 H GLN 22 -7.245 0.934 4.835 186 HA GLN 22 HA GLN 22 -9.203 -1.296 4.551 187 1HB GLN 22 2HB GLN 22 -8.988 0.875 6.430 188 2HB GLN 22 1HB GLN 22 -10.536 0.952 5.583 189 1HG GLN 22 2HG GLN 22 -11.286 -1.001 6.496 190 2HG GLN 22 1HG GLN 22 -9.696 -1.769 6.423 191 1HE2 GLN 22 2HE2 GLN 22 -10.253 0.794 9.599 192 2HE2 GLN 22 1HE2 GLN 22 -10.786 1.261 8.057 193 H ASP 23 H ASP 23 -9.339 2.270 3.992 194 HA ASP 23 HA ASP 23 -10.631 3.397 2.363 195 1HB ASP 23 2HB ASP 23 -9.868 2.487 0.005 196 2HB ASP 23 1HB ASP 23 -8.723 3.322 1.053 197 H LYS 24 H LYS 24 -10.588 0.502 0.377 198 HA LYS 24 HA LYS 24 -13.455 0.475 0.107 199 1HB LYS 24 2HB LYS 24 -11.463 -1.743 -0.474 200 2HB LYS 24 1HB LYS 24 -13.058 -1.544 -1.204 201 1HG LYS 24 2HG LYS 24 -12.368 0.209 -2.542 202 2HG LYS 24 1HG LYS 24 -11.093 0.697 -1.423 203 1HD LYS 24 2HD LYS 24 -9.970 -0.306 -3.286 204 2HD LYS 24 1HD LYS 24 -9.934 -1.505 -1.996 205 1HE LYS 24 2HE LYS 24 -12.278 -1.558 -3.839 206 2HE LYS 24 1HE LYS 24 -10.736 -2.136 -4.471 207 1HZ LYS 24 1HZ LYS 24 -12.004 -3.072 -1.952 208 2HZ LYS 24 3HZ LYS 24 -12.038 -3.908 -3.429 209 3HZ LYS 24 2HZ LYS 24 -10.559 -3.658 -2.630 210 HA PRO 25 HA PRO 25 -14.315 -2.480 3.420 211 1HB PRO 25 2HB PRO 25 -13.721 -5.146 3.063 212 2HB PRO 25 1HB PRO 25 -15.153 -4.361 2.375 213 1HG PRO 25 2HG PRO 25 -12.631 -5.195 1.018 214 2HG PRO 25 1HG PRO 25 -14.266 -5.038 0.353 215 1HD PRO 25 2HD PRO 25 -12.178 -3.198 0.004 216 2HD PRO 25 1HD PRO 25 -13.898 -2.871 -0.300 217 H GLU 26 H GLU 26 -11.422 -4.293 2.344 218 HA GLU 26 HA GLU 26 -9.710 -3.067 4.365 219 1HB GLU 26 2HB GLU 26 -9.988 -6.033 4.692 220 2HB GLU 26 1HB GLU 26 -9.422 -4.826 5.844 221 1HG GLU 26 2HG GLU 26 -11.701 -4.018 6.176 222 2HG GLU 26 1HG GLU 26 -12.301 -5.117 4.932 223 H ALA 27 H ALA 27 -8.898 -2.774 2.041 224 HA ALA 27 HA ALA 27 -7.585 -5.182 0.975 225 1HB ALA 27 2HB ALA 27 -7.883 -2.339 -0.007 226 2HB ALA 27 1HB ALA 27 -6.742 -3.452 -0.765 227 3HB ALA 27 3HB ALA 27 -8.466 -3.830 -0.754 228 H GLN 28 H GLN 28 -5.627 -5.731 1.803 229 HA GLN 28 HA GLN 28 -4.077 -3.754 3.321 230 1HB GLN 28 2HB GLN 28 -4.361 -6.595 3.327 231 2HB GLN 28 1HB GLN 28 -2.668 -6.223 2.996 232 1HG GLN 28 2HG GLN 28 -2.516 -4.851 4.983 233 2HG GLN 28 1HG GLN 28 -4.252 -4.988 5.265 234 1HE2 GLN 28 2HE2 GLN 28 -1.980 -8.369 5.904 235 2HE2 GLN 28 1HE2 GLN 28 -1.520 -7.292 4.675 236 H ILE 29 H ILE 29 -1.583 -3.875 2.900 237 HA ILE 29 HA ILE 29 -0.975 -4.236 0.038 238 HB ILE 29 HB ILE 29 -1.854 -1.936 0.215 239 1HG1 ILE 29 2HG1 ILE 29 1.092 -1.587 -0.117 240 2HG1 ILE 29 1HG1 ILE 29 0.280 -2.764 -1.153 241 1HG2 ILE 29 1HG2 ILE 29 -0.915 -1.796 2.673 242 2HG2 ILE 29 3HG2 ILE 29 0.538 -1.197 1.873 243 3HG2 ILE 29 2HG2 ILE 29 -0.993 -0.340 1.681 244 1HD1 ILE 29 1HD1 ILE 29 -0.568 0.131 -0.821 245 2HD1 ILE 29 3HD1 ILE 29 0.351 -0.504 -2.184 246 3HD1 ILE 29 2HD1 ILE 29 -1.300 -1.052 -1.907 247 H ILE 30 H ILE 30 1.016 -5.057 -0.174 248 HA ILE 30 HA ILE 30 2.822 -5.142 2.161 249 HB ILE 30 HB ILE 30 2.665 -6.527 -0.506 250 1HG1 ILE 30 2HG1 ILE 30 1.548 -7.537 1.423 251 2HG1 ILE 30 1HG1 ILE 30 2.934 -8.524 0.962 252 1HG2 ILE 30 3HG2 ILE 30 5.138 -6.075 1.133 253 2HG2 ILE 30 2HG2 ILE 30 4.925 -7.611 0.293 254 3HG2 ILE 30 1HG2 ILE 30 4.951 -6.102 -0.622 255 1HD1 ILE 30 3HD1 ILE 30 4.241 -7.081 2.694 256 2HD1 ILE 30 2HD1 ILE 30 2.643 -6.668 3.315 257 3HD1 ILE 30 1HD1 ILE 30 3.174 -8.351 3.293 258 H VAL 31 H VAL 31 4.828 -4.040 2.187 259 HA VAL 31 HA VAL 31 5.214 -2.167 -0.105 260 HB VAL 31 HB VAL 31 4.692 -1.048 2.040 261 1HG1 VAL 31 1HG1 VAL 31 6.181 -3.067 3.165 262 2HG1 VAL 31 3HG1 VAL 31 7.301 -1.708 3.240 263 3HG1 VAL 31 2HG1 VAL 31 5.713 -1.585 3.998 264 1HG2 VAL 31 2HG2 VAL 31 6.987 -0.616 0.366 265 2HG2 VAL 31 1HG2 VAL 31 6.015 0.582 1.220 266 3HG2 VAL 31 3HG2 VAL 31 7.399 -0.164 2.020 267 H LEU 32 H LEU 32 7.090 -2.298 -1.219 268 HA LEU 32 HA LEU 32 9.451 -3.562 0.055 269 1HB LEU 32 2HB LEU 32 9.799 -4.725 -2.268 270 2HB LEU 32 1HB LEU 32 8.768 -5.490 -1.071 271 HG LEU 32 HG LEU 32 7.789 -3.735 -3.310 272 1HD1 LEU 32 2HD1 LEU 32 8.421 -6.632 -3.050 273 2HD1 LEU 32 1HD1 LEU 32 6.901 -6.245 -3.852 274 3HD1 LEU 32 3HD1 LEU 32 8.421 -5.614 -4.488 275 1HD2 LEU 32 2HD2 LEU 32 6.562 -4.874 -0.924 276 2HD2 LEU 32 1HD2 LEU 32 5.865 -3.759 -2.100 277 3HD2 LEU 32 3HD2 LEU 32 5.796 -5.497 -2.383 278 HA PRO 33 HA PRO 33 11.585 -0.537 -2.213 279 1HB PRO 33 2HB PRO 33 13.997 -1.807 -2.588 280 2HB PRO 33 1HB PRO 33 13.476 -1.143 -1.029 281 1HG PRO 33 2HG PRO 33 13.588 -3.991 -1.910 282 2HG PRO 33 1HG PRO 33 13.717 -3.313 -0.278 283 1HD PRO 33 2HD PRO 33 11.416 -4.523 -1.381 284 2HD PRO 33 1HD PRO 33 11.465 -3.534 0.093 285 H VAL 34 H VAL 34 11.910 0.014 -4.403 286 HA VAL 34 HA VAL 34 10.842 -1.791 -6.353 287 HB VAL 34 HB VAL 34 11.430 -0.071 -7.991 288 1HG1 VAL 34 3HG1 VAL 34 10.129 0.527 -5.422 289 2HG1 VAL 34 2HG1 VAL 34 10.688 1.964 -6.278 290 3HG1 VAL 34 1HG1 VAL 34 9.573 0.847 -7.065 291 1HG2 VAL 34 3HG2 VAL 34 13.702 0.285 -6.572 292 2HG2 VAL 34 2HG2 VAL 34 13.070 1.507 -7.676 293 3HG2 VAL 34 1HG2 VAL 34 12.758 1.636 -5.945 294 H GLY 35 H GLY 35 13.824 -1.927 -4.882 295 1HA GLY 35 2HA GLY 35 15.657 -2.373 -6.988 296 2HA GLY 35 1HA GLY 35 15.768 -3.128 -5.398 297 H THR 36 H THR 36 16.505 -5.093 -6.496 298 HA THR 36 HA THR 36 15.273 -6.516 -8.525 299 HB THR 36 HB THR 36 15.857 -8.565 -6.846 300 HG1 THR 36 HG1 THR 36 16.254 -7.043 -5.151 301 1HG2 THR 36 1HG2 THR 36 17.448 -6.834 -8.673 302 2HG2 THR 36 3HG2 THR 36 18.349 -7.959 -7.655 303 3HG2 THR 36 2HG2 THR 36 17.121 -8.565 -8.765 304 H ILE 37 H ILE 37 13.530 -8.001 -8.662 305 HA ILE 37 HA ILE 37 11.584 -7.833 -6.393 306 HB ILE 37 HB ILE 37 11.048 -8.111 -9.366 307 1HG1 ILE 37 2HG1 ILE 37 9.745 -5.884 -8.165 308 2HG1 ILE 37 1HG1 ILE 37 11.434 -5.838 -7.657 309 1HG2 ILE 37 3HG2 ILE 37 9.321 -8.331 -6.923 310 2HG2 ILE 37 2HG2 ILE 37 8.639 -7.639 -8.395 311 3HG2 ILE 37 1HG2 ILE 37 9.279 -9.282 -8.408 312 1HD1 ILE 37 3HD1 ILE 37 11.519 -6.540 -10.373 313 2HD1 ILE 37 2HD1 ILE 37 10.296 -5.272 -10.268 314 3HD1 ILE 37 1HD1 ILE 37 11.931 -4.972 -9.678 315 H VAL 38 H VAL 38 11.330 -9.913 -9.231 316 HA VAL 38 HA VAL 38 11.254 -12.258 -7.425 317 HB VAL 38 HB VAL 38 10.760 -12.265 -10.407 318 1HG1 VAL 38 3HG1 VAL 38 10.925 -14.320 -8.664 319 2HG1 VAL 38 2HG1 VAL 38 9.225 -13.900 -8.454 320 3HG1 VAL 38 1HG1 VAL 38 9.834 -14.333 -10.051 321 1HG2 VAL 38 2HG2 VAL 38 8.997 -11.319 -8.153 322 2HG2 VAL 38 1HG2 VAL 38 9.248 -10.592 -9.740 323 3HG2 VAL 38 3HG2 VAL 38 8.285 -12.062 -9.586 324 H THR 39 H THR 39 12.844 -11.325 -10.499 325 HA THR 39 HA THR 39 15.023 -13.251 -9.793 326 HB THR 39 HB THR 39 14.041 -14.051 -11.799 327 HG1 THR 39 HG1 THR 39 15.639 -13.491 -13.384 328 1HG2 THR 39 3HG2 THR 39 13.965 -11.144 -12.644 329 2HG2 THR 39 2HG2 THR 39 13.606 -12.487 -13.730 330 3HG2 THR 39 1HG2 THR 39 12.588 -12.198 -12.320 331 1H GLU 41 3H GLU 41 -8.100 -9.632 -7.170 332 2H GLU 41 2H GLU 41 -7.473 -10.980 -7.993 333 3H GLU 41 1H GLU 41 -7.051 -9.409 -8.485 334 HA GLU 41 HA GLU 41 -8.728 -9.417 -9.900 335 1HB GLU 41 2HB GLU 41 -8.432 -12.001 -9.505 336 2HB GLU 41 1HB GLU 41 -9.984 -11.852 -8.686 337 1HG GLU 41 2HG GLU 41 -10.797 -10.624 -10.790 338 2HG GLU 41 1HG GLU 41 -9.333 -11.228 -11.567 339 H TYR 42 H TYR 42 -10.452 -10.899 -7.207 340 HA TYR 42 HA TYR 42 -12.627 -9.007 -7.418 341 1HB TYR 42 2HB TYR 42 -13.209 -10.081 -5.085 342 2HB TYR 42 1HB TYR 42 -13.358 -11.041 -6.553 343 HD1 TYR 42 HD1 TYR 42 -10.137 -10.073 -4.935 344 HD2 TYR 42 HD2 TYR 42 -12.991 -13.189 -5.666 345 HE1 TYR 42 HE1 TYR 42 -8.540 -11.729 -4.033 346 HE2 TYR 42 HE2 TYR 42 -11.397 -14.858 -4.767 347 HH TYR 42 HH TYR 42 -9.005 -14.286 -2.882 348 H ARG 43 H ARG 43 -11.846 -9.364 -4.106 349 HA ARG 43 HA ARG 43 -10.808 -6.560 -4.082 350 1HB ARG 43 2HB ARG 43 -11.952 -6.179 -2.049 351 2HB ARG 43 1HB ARG 43 -13.108 -7.100 -3.010 352 1HG ARG 43 2HG ARG 43 -11.911 -9.168 -1.842 353 2HG ARG 43 1HG ARG 43 -11.512 -7.958 -0.623 354 1HD ARG 43 2HD ARG 43 -14.197 -7.472 -1.181 355 2HD ARG 43 1HD ARG 43 -14.078 -9.231 -1.192 356 HE ARG 43 HE ARG 43 -12.709 -8.122 1.097 357 1HH1 ARG 43 1HH2 ARG 43 -14.132 -10.515 1.624 358 2HH1 ARG 43 2HH2 ARG 43 -15.629 -10.009 2.335 359 1HH2 ARG 43 2HH1 ARG 43 -15.362 -6.738 1.213 360 2HH2 ARG 43 1HH1 ARG 43 -16.324 -7.869 2.104 361 H ILE 44 H ILE 44 -8.977 -8.658 -4.465 362 HA ILE 44 HA ILE 44 -7.871 -9.938 -2.277 363 HB ILE 44 HB ILE 44 -6.791 -10.108 -4.457 364 1HG1 ILE 44 2HG1 ILE 44 -4.491 -8.911 -3.198 365 2HG1 ILE 44 1HG1 ILE 44 -5.494 -9.679 -1.962 366 1HG2 ILE 44 3HG2 ILE 44 -7.187 -7.729 -5.123 367 2HG2 ILE 44 2HG2 ILE 44 -5.922 -7.237 -3.997 368 3HG2 ILE 44 1HG2 ILE 44 -5.520 -8.239 -5.390 369 1HD1 ILE 44 2HD1 ILE 44 -5.038 -11.197 -4.491 370 2HD1 ILE 44 1HD1 ILE 44 -3.680 -11.061 -3.374 371 3HD1 ILE 44 3HD1 ILE 44 -5.194 -11.787 -2.837 372 H ASP 45 H ASP 45 -6.656 -9.326 -0.489 373 HA ASP 45 HA ASP 45 -6.703 -6.412 0.042 374 1HB ASP 45 2HB ASP 45 -6.870 -6.937 2.336 375 2HB ASP 45 1HB ASP 45 -7.807 -8.207 1.550 376 H ARG 46 H ARG 46 -4.695 -7.154 -1.676 377 HA ARG 46 HA ARG 46 -2.321 -6.511 -0.053 378 1HB ARG 46 2HB ARG 46 -2.626 -9.090 -0.298 379 2HB ARG 46 1HB ARG 46 -2.120 -8.827 -1.967 380 1HG ARG 46 2HG ARG 46 -0.123 -7.542 -0.988 381 2HG ARG 46 1HG ARG 46 -0.570 -8.262 0.561 382 1HD ARG 46 2HD ARG 46 -0.526 -10.202 -1.633 383 2HD ARG 46 1HD ARG 46 1.046 -9.449 -1.346 384 HE ARG 46 HE ARG 46 -0.189 -10.304 1.133 385 1HH1 ARG 46 2HH1 ARG 46 0.954 -11.750 -1.743 386 2HH1 ARG 46 1HH1 ARG 46 1.935 -12.927 -0.936 387 1HH2 ARG 46 1HH2 ARG 46 1.333 -11.646 2.230 388 2HH2 ARG 46 2HH2 ARG 46 2.148 -12.869 1.314 389 H VAL 47 H VAL 47 -0.680 -5.515 -1.272 390 HA VAL 47 HA VAL 47 -0.976 -5.295 -4.195 391 HB VAL 47 HB VAL 47 -1.102 -2.849 -2.402 392 1HG1 VAL 47 1HG1 VAL 47 -0.862 -3.289 -5.368 393 2HG1 VAL 47 3HG1 VAL 47 -1.671 -1.853 -4.745 394 3HG1 VAL 47 2HG1 VAL 47 0.019 -2.158 -4.340 395 1HG2 VAL 47 3HG2 VAL 47 -3.155 -4.367 -4.007 396 2HG2 VAL 47 2HG2 VAL 47 -3.261 -3.805 -2.339 397 3HG2 VAL 47 1HG2 VAL 47 -3.360 -2.649 -3.667 398 H ARG 48 H ARG 48 1.012 -4.402 -5.174 399 HA ARG 48 HA ARG 48 3.344 -4.912 -3.441 400 1HB ARG 48 2HB ARG 48 2.999 -4.435 -6.396 401 2HB ARG 48 1HB ARG 48 4.597 -4.407 -5.650 402 1HG ARG 48 2HG ARG 48 2.620 -6.711 -5.673 403 2HG ARG 48 1HG ARG 48 4.206 -6.660 -6.441 404 1HD ARG 48 2HD ARG 48 4.977 -6.128 -3.931 405 2HD ARG 48 1HD ARG 48 3.504 -7.023 -3.561 406 HE ARG 48 HE ARG 48 5.219 -8.369 -5.507 407 1HH1 ARG 48 1HH2 ARG 48 3.625 -10.059 -3.818 408 2HH1 ARG 48 2HH2 ARG 48 4.702 -10.551 -2.554 409 1HH2 ARG 48 1HH1 ARG 48 6.613 -9.406 -2.189 410 2HH2 ARG 48 2HH1 ARG 48 7.005 -8.036 -3.172 411 H LEU 49 H LEU 49 2.585 -2.817 -2.209 412 HA LEU 49 HA LEU 49 2.999 -0.259 -3.396 413 1HB LEU 49 2HB LEU 49 1.913 -0.344 -1.247 414 2HB LEU 49 1HB LEU 49 3.294 -1.162 -0.520 415 HG LEU 49 HG LEU 49 4.631 0.767 -0.570 416 1HD1 LEU 49 1HD1 LEU 49 2.826 1.555 -2.824 417 2HD1 LEU 49 3HD1 LEU 49 3.611 2.838 -1.906 418 3HD1 LEU 49 2HD1 LEU 49 4.587 1.617 -2.727 419 1HD2 LEU 49 3HD2 LEU 49 1.823 1.164 0.212 420 2HD2 LEU 49 2HD2 LEU 49 3.300 1.537 1.100 421 3HD2 LEU 49 1HD2 LEU 49 2.687 2.669 -0.107 422 H PHE 50 H PHE 50 4.908 -0.376 -4.656 423 HA PHE 50 HA PHE 50 7.467 -1.125 -3.474 424 1HB PHE 50 2HB PHE 50 6.496 0.017 -6.069 425 2HB PHE 50 1HB PHE 50 8.218 0.156 -5.684 426 HD1 PHE 50 HD1 PHE 50 6.213 -2.622 -4.389 427 HD2 PHE 50 HD2 PHE 50 8.841 -1.346 -7.532 428 HE1 PHE 50 HE1 PHE 50 6.488 -4.964 -5.104 429 HE2 PHE 50 HE2 PHE 50 9.131 -3.701 -8.243 430 HZ PHE 50 HZ PHE 50 7.953 -5.518 -7.032 431 H VAL 51 H VAL 51 9.228 0.474 -3.086 432 HA VAL 51 HA VAL 51 8.156 3.216 -2.548 433 HB VAL 51 HB VAL 51 10.046 3.227 -0.752 434 1HG1 VAL 51 1HG1 VAL 51 7.433 3.038 -0.534 435 2HG1 VAL 51 3HG1 VAL 51 7.781 1.368 -0.087 436 3HG1 VAL 51 2HG1 VAL 51 8.451 2.693 0.864 437 1HG2 VAL 51 1HG2 VAL 51 11.061 1.087 -1.486 438 2HG2 VAL 51 3HG2 VAL 51 10.514 1.001 0.188 439 3HG2 VAL 51 2HG2 VAL 51 9.561 0.250 -1.089 440 H ASP 52 H ASP 52 10.180 4.783 -2.264 441 HA ASP 52 HA ASP 52 11.921 4.256 -4.627 442 1HB ASP 52 2HB ASP 52 11.815 6.488 -5.193 443 2HB ASP 52 1HB ASP 52 10.265 6.337 -4.377 444 H LYS 53 H LYS 53 13.721 6.424 -3.935 445 HA LYS 53 HA LYS 53 15.619 4.989 -2.344 446 1HB LYS 53 2HB LYS 53 15.649 7.947 -2.860 447 2HB LYS 53 1HB LYS 53 17.020 6.835 -2.806 448 1HG LYS 53 2HG LYS 53 15.555 5.739 -4.824 449 2HG LYS 53 1HG LYS 53 15.136 7.440 -5.019 450 1HD LYS 53 2HD LYS 53 17.064 7.486 -6.251 451 2HD LYS 53 1HD LYS 53 17.825 7.651 -4.667 452 1HE LYS 53 2HE LYS 53 18.135 5.219 -4.541 453 2HE LYS 53 1HE LYS 53 17.330 5.023 -6.098 454 1HZ LYS 53 3HZ LYS 53 19.261 6.880 -6.578 455 2HZ LYS 53 2HZ LYS 53 20.026 5.788 -5.525 456 3HZ LYS 53 1HZ LYS 53 19.343 5.236 -6.980 457 H LEU 54 H LEU 54 13.795 8.010 -1.709 458 HA LEU 54 HA LEU 54 14.427 7.744 1.180 459 1HB LEU 54 2HB LEU 54 13.138 9.956 -0.442 460 2HB LEU 54 1HB LEU 54 13.340 10.018 1.309 461 HG LEU 54 HG LEU 54 15.210 11.183 0.310 462 1HD1 LEU 54 1HD1 LEU 54 15.463 9.107 2.087 463 2HD1 LEU 54 3HD1 LEU 54 16.622 8.648 0.840 464 3HD1 LEU 54 2HD1 LEU 54 16.769 10.209 1.649 465 1HD2 LEU 54 1HD2 LEU 54 14.878 9.788 -1.893 466 2HD2 LEU 54 3HD2 LEU 54 16.492 10.363 -1.471 467 3HD2 LEU 54 2HD2 LEU 54 16.040 8.688 -1.153 468 H ASP 55 H ASP 55 12.662 5.780 0.179 469 HA ASP 55 HA ASP 55 10.494 4.907 0.470 470 1HB ASP 55 2HB ASP 55 9.670 6.361 2.789 471 2HB ASP 55 1HB ASP 55 10.268 4.704 2.699 472 H ASN 56 H ASN 56 10.095 6.466 -1.478 473 HA ASN 56 HA ASN 56 7.798 8.216 -0.744 474 1HB ASN 56 2HB ASN 56 9.503 9.789 -1.301 475 2HB ASN 56 1HB ASN 56 10.050 8.819 -2.669 476 1HD2 ASN 56 2HD2 ASN 56 7.840 10.386 -4.899 477 2HD2 ASN 56 1HD2 ASN 56 9.250 9.471 -4.665 478 H ILE 57 H ILE 57 6.148 7.056 -1.421 479 HA ILE 57 HA ILE 57 5.932 5.025 -3.216 480 HB ILE 57 HB ILE 57 3.871 7.233 -3.147 481 1HG1 ILE 57 2HG1 ILE 57 4.429 6.805 -0.842 482 2HG1 ILE 57 1HG1 ILE 57 2.954 5.902 -1.181 483 1HG2 ILE 57 2HG2 ILE 57 3.837 4.248 -3.627 484 2HG2 ILE 57 1HG2 ILE 57 2.373 5.163 -3.274 485 3HG2 ILE 57 3HG2 ILE 57 3.311 5.524 -4.723 486 1HD1 ILE 57 3HD1 ILE 57 4.951 4.128 -1.912 487 2HD1 ILE 57 2HD1 ILE 57 5.613 4.908 -0.474 488 3HD1 ILE 57 1HD1 ILE 57 4.051 4.092 -0.396 489 H ALA 58 H ALA 58 7.349 5.256 -4.960 490 HA ALA 58 HA ALA 58 6.904 7.443 -6.900 491 1HB ALA 58 2HB ALA 58 9.174 6.167 -6.232 492 2HB ALA 58 1HB ALA 58 8.651 5.102 -7.537 493 3HB ALA 58 3HB ALA 58 8.919 6.816 -7.851 494 H GLN 59 H GLN 59 6.115 4.096 -6.361 495 HA GLN 59 HA GLN 59 4.741 3.989 -9.016 496 1HB GLN 59 2HB GLN 59 6.384 2.189 -8.763 497 2HB GLN 59 1HB GLN 59 5.685 1.739 -7.206 498 1HG GLN 59 2HG GLN 59 4.519 0.243 -8.486 499 2HG GLN 59 1HG GLN 59 3.464 1.633 -8.749 500 1HE2 GLN 59 2HE2 GLN 59 5.667 0.166 -11.832 501 2HE2 GLN 59 1HE2 GLN 59 5.765 -0.515 -10.280 502 H VAL 60 H VAL 60 2.495 3.746 -8.969 503 HA VAL 60 HA VAL 60 1.241 3.965 -6.314 504 HB VAL 60 HB VAL 60 0.173 4.181 -9.130 505 1HG1 VAL 60 3HG1 VAL 60 -1.232 3.564 -6.645 506 2HG1 VAL 60 2HG1 VAL 60 -1.800 5.072 -7.368 507 3HG1 VAL 60 1HG1 VAL 60 -1.841 3.576 -8.300 508 1HG2 VAL 60 2HG2 VAL 60 1.338 5.991 -7.274 509 2HG2 VAL 60 1HG2 VAL 60 0.606 6.369 -8.833 510 3HG2 VAL 60 3HG2 VAL 60 -0.379 6.383 -7.370 511 HA PRO 61 HA PRO 61 0.216 -0.384 -6.375 512 1HB PRO 61 2HB PRO 61 -1.029 -0.361 -3.928 513 2HB PRO 61 1HB PRO 61 0.731 -0.408 -4.122 514 1HG PRO 61 2HG PRO 61 -1.014 1.861 -3.295 515 2HG PRO 61 1HG PRO 61 0.689 1.558 -2.911 516 1HD PRO 61 2HD PRO 61 -0.277 3.376 -4.852 517 2HD PRO 61 1HD PRO 61 1.403 2.820 -4.682 518 H ARG 62 H ARG 62 -1.862 -1.587 -6.511 519 HA ARG 62 HA ARG 62 -4.315 0.083 -6.472 520 1HB ARG 62 2HB ARG 62 -2.911 -0.537 -8.836 521 2HB ARG 62 1HB ARG 62 -4.334 -1.576 -8.828 522 1HG ARG 62 2HG ARG 62 -5.178 0.357 -9.821 523 2HG ARG 62 1HG ARG 62 -5.582 0.631 -8.126 524 1HD ARG 62 2HD ARG 62 -4.514 2.631 -8.498 525 2HD ARG 62 1HD ARG 62 -3.076 1.668 -8.180 526 HE ARG 62 HE ARG 62 -2.791 1.460 -10.640 527 1HH1 ARG 62 1HH2 ARG 62 -4.839 2.058 -12.255 528 2HH1 ARG 62 2HH2 ARG 62 -4.916 3.778 -12.438 529 1HH2 ARG 62 2HH1 ARG 62 -2.976 4.430 -9.639 530 2HH2 ARG 62 1HH1 ARG 62 -3.868 5.120 -10.953 531 H VAL 63 H VAL 63 -6.174 -1.088 -6.015 532 HA VAL 63 HA VAL 63 -5.906 -4.057 -5.790 533 HB VAL 63 HB VAL 63 -6.491 -2.071 -3.702 534 1HG1 VAL 63 3HG1 VAL 63 -8.397 -4.378 -4.149 535 2HG1 VAL 63 2HG1 VAL 63 -8.153 -3.662 -2.558 536 3HG1 VAL 63 1HG1 VAL 63 -8.793 -2.681 -3.874 537 1HG2 VAL 63 3HG2 VAL 63 -5.023 -4.455 -4.055 538 2HG2 VAL 63 2HG2 VAL 63 -5.113 -3.464 -2.599 539 3HG2 VAL 63 1HG2 VAL 63 -6.231 -4.810 -2.820 540 H GLY 64 H GLY 64 -7.336 -4.879 -7.251 541 1HA GLY 64 2HA GLY 64 -9.580 -3.322 -8.245 542 2HA GLY 64 1HA GLY 64 -9.226 -5.001 -8.659 No H/Q in entry = 542 Start of MODEL 11 Raw file had 552 H/Q atoms Start of MODEL 11 1 1H MET 1 2H MET 1 -14.482 3.970 -2.774 2 2H MET 1 1H MET 1 -15.765 2.885 -2.523 3 3H MET 1 3H MET 1 -14.284 2.642 -1.732 4 HA MET 1 HA MET 1 -14.207 1.111 -3.453 5 1HB MET 1 2HB MET 1 -14.723 2.021 -5.846 6 2HB MET 1 1HB MET 1 -16.072 1.638 -4.777 7 1HG MET 1 2HG MET 1 -16.642 3.841 -4.481 8 2HG MET 1 1HG MET 1 -14.970 4.395 -4.584 9 1HE MET 1 2HE MET 1 -14.831 6.068 -5.800 10 2HE MET 1 1HE MET 1 -15.070 6.266 -7.534 11 3HE MET 1 3HE MET 1 -16.421 6.512 -6.418 12 H LYS 2 H LYS 2 -12.253 2.799 -2.305 13 HA LYS 2 HA LYS 2 -10.690 4.023 -4.456 14 1HB LYS 2 2HB LYS 2 -10.584 4.981 -2.208 15 2HB LYS 2 1HB LYS 2 -10.009 3.446 -1.557 16 1HG LYS 2 2HG LYS 2 -7.958 4.416 -1.873 17 2HG LYS 2 1HG LYS 2 -8.179 3.808 -3.511 18 1HD LYS 2 2HD LYS 2 -7.500 6.213 -3.443 19 2HD LYS 2 1HD LYS 2 -9.050 5.955 -4.245 20 1HE LYS 2 2HE LYS 2 -9.220 6.395 -1.328 21 2HE LYS 2 1HE LYS 2 -8.651 7.782 -2.256 22 1HZ LYS 2 3HZ LYS 2 -10.816 6.552 -3.586 23 2HZ LYS 2 2HZ LYS 2 -11.260 6.891 -1.981 24 3HZ LYS 2 1HZ LYS 2 -10.695 8.136 -2.991 25 H THR 3 H THR 3 -10.252 2.270 -5.888 26 HA THR 3 HA THR 3 -8.827 -0.088 -4.811 27 HB THR 3 HB THR 3 -8.751 -0.541 -7.428 28 HG1 THR 3 HG1 THR 3 -10.571 0.474 -8.397 29 1HG2 THR 3 1HG2 THR 3 -10.163 -1.606 -5.509 30 2HG2 THR 3 3HG2 THR 3 -11.472 -0.616 -6.152 31 3HG2 THR 3 2HG2 THR 3 -10.695 -1.824 -7.175 32 H GLU 4 H GLU 4 -8.227 2.608 -7.076 33 HA GLU 4 HA GLU 4 -5.352 1.912 -7.153 34 1HB GLU 4 2HB GLU 4 -6.502 4.427 -8.340 35 2HB GLU 4 1HB GLU 4 -5.152 3.445 -8.907 36 1HG GLU 4 2HG GLU 4 -6.714 2.710 -10.423 37 2HG GLU 4 1HG GLU 4 -7.124 1.611 -9.106 38 H TRP 5 H TRP 5 -3.807 3.742 -6.797 39 HA TRP 5 HA TRP 5 -4.748 5.713 -4.792 40 1HB TRP 5 2HB TRP 5 -2.423 3.800 -4.413 41 2HB TRP 5 1HB TRP 5 -2.730 5.198 -3.383 42 HD1 TRP 5 HD1 TRP 5 -5.080 5.187 -2.001 43 HE1 TRP 5 HE1 TRP 5 -6.403 3.205 -1.026 44 HE3 TRP 5 HE3 TRP 5 -3.113 1.340 -4.762 45 HZ2 TRP 5 HZ2 TRP 5 -6.599 0.379 -1.354 46 HZ3 TRP 5 HZ3 TRP 5 -3.888 -0.978 -4.389 47 HH2 TRP 5 HH2 TRP 5 -5.616 -1.460 -2.692 48 HA PRO 6 HA PRO 6 -1.484 6.975 -7.971 49 1HB PRO 6 2HB PRO 6 -3.102 8.459 -9.643 50 2HB PRO 6 1HB PRO 6 -2.697 6.756 -9.931 51 1HG PRO 6 2HG PRO 6 -5.232 7.936 -8.855 52 2HG PRO 6 1HG PRO 6 -5.001 6.475 -9.832 53 1HD PRO 6 2HD PRO 6 -5.445 6.460 -7.076 54 2HD PRO 6 1HD PRO 6 -4.669 5.143 -7.984 55 H GLU 7 H GLU 7 -4.204 8.394 -6.412 56 HA GLU 7 HA GLU 7 -3.217 11.133 -6.373 57 1HB GLU 7 2HB GLU 7 -5.498 9.696 -5.350 58 2HB GLU 7 1HB GLU 7 -4.776 10.649 -4.053 59 1HG GLU 7 2HG GLU 7 -4.750 12.613 -5.678 60 2HG GLU 7 1HG GLU 7 -5.764 11.634 -6.741 61 H LEU 8 H LEU 8 -2.486 8.214 -4.699 62 HA LEU 8 HA LEU 8 -1.290 9.529 -2.383 63 1HB LEU 8 2HB LEU 8 -1.707 7.494 -1.513 64 2HB LEU 8 1HB LEU 8 -2.107 6.872 -3.104 65 HG LEU 8 HG LEU 8 0.770 7.146 -2.250 66 1HD1 LEU 8 2HD1 LEU 8 -1.266 5.307 -1.210 67 2HD1 LEU 8 1HD1 LEU 8 0.142 4.487 -1.886 68 3HD1 LEU 8 3HD1 LEU 8 0.345 5.668 -0.590 69 1HD2 LEU 8 3HD2 LEU 8 0.149 6.690 -4.642 70 2HD2 LEU 8 2HD2 LEU 8 1.098 5.395 -3.909 71 3HD2 LEU 8 1HD2 LEU 8 -0.645 5.209 -4.106 72 H VAL 9 H VAL 9 -0.372 9.028 -5.564 73 HA VAL 9 HA VAL 9 2.313 8.296 -5.492 74 HB VAL 9 HB VAL 9 0.873 10.337 -7.190 75 1HG1 VAL 9 1HG1 VAL 9 3.322 10.971 -6.901 76 2HG1 VAL 9 3HG1 VAL 9 3.731 9.403 -7.605 77 3HG1 VAL 9 2HG1 VAL 9 2.848 10.593 -8.560 78 1HG2 VAL 9 1HG2 VAL 9 1.872 7.515 -7.491 79 2HG2 VAL 9 3HG2 VAL 9 0.261 8.157 -7.812 80 3HG2 VAL 9 2HG2 VAL 9 1.591 8.519 -8.914 81 H GLY 10 H GLY 10 4.266 9.503 -5.358 82 1HA GLY 10 2HA GLY 10 5.696 11.114 -4.460 83 2HA GLY 10 1HA GLY 10 4.365 12.254 -4.624 84 H LYS 11 H LYS 11 3.216 9.716 -2.767 85 HA LYS 11 HA LYS 11 3.629 11.331 -0.318 86 1HB LYS 11 2HB LYS 11 1.371 10.208 -1.214 87 2HB LYS 11 1HB LYS 11 1.994 8.829 -0.303 88 1HG LYS 11 2HG LYS 11 0.711 10.022 1.284 89 2HG LYS 11 1HG LYS 11 2.371 10.517 1.620 90 1HD LYS 11 2HD LYS 11 1.515 12.299 -0.354 91 2HD LYS 11 1HD LYS 11 0.118 12.127 0.709 92 1HE LYS 11 2HE LYS 11 2.411 12.305 2.379 93 2HE LYS 11 1HE LYS 11 2.549 13.586 1.176 94 1HZ LYS 11 2HZ LYS 11 0.058 13.074 2.697 95 2HZ LYS 11 1HZ LYS 11 1.256 14.152 3.235 96 3HZ LYS 11 3HZ LYS 11 0.454 14.443 1.769 97 H SER 12 H SER 12 3.136 8.760 1.273 98 HA SER 12 HA SER 12 5.748 7.416 0.867 99 1HB SER 12 2HB SER 12 5.232 9.367 2.913 100 2HB SER 12 1HB SER 12 5.477 7.790 3.664 101 HG SER 12 HG SER 12 7.178 8.611 1.591 102 H VAL 13 H VAL 13 5.933 5.492 2.362 103 HA VAL 13 HA VAL 13 3.807 3.704 2.050 104 HB VAL 13 HB VAL 13 5.949 3.770 4.192 105 1HG1 VAL 13 1HG1 VAL 13 3.873 1.715 3.452 106 2HG1 VAL 13 3HG1 VAL 13 5.421 1.222 4.139 107 3HG1 VAL 13 2HG1 VAL 13 4.347 2.280 5.055 108 1HG2 VAL 13 1HG2 VAL 13 5.722 2.297 1.547 109 2HG2 VAL 13 3HG2 VAL 13 6.792 3.659 1.879 110 3HG2 VAL 13 2HG2 VAL 13 7.043 2.118 2.701 111 H GLU 14 H GLU 14 4.502 5.842 4.807 112 HA GLU 14 HA GLU 14 2.662 4.968 6.681 113 1HB GLU 14 2HB GLU 14 2.273 7.539 7.092 114 2HB GLU 14 1HB GLU 14 3.862 6.836 7.387 115 1HG GLU 14 2HG GLU 14 3.663 7.577 4.613 116 2HG GLU 14 1HG GLU 14 3.210 8.955 5.614 117 H GLU 15 H GLU 15 1.787 7.599 4.400 118 HA GLU 15 HA GLU 15 -1.021 7.336 4.778 119 1HB GLU 15 2HB GLU 15 0.654 8.990 3.293 120 2HB GLU 15 1HB GLU 15 -0.267 8.127 2.060 121 1HG GLU 15 2HG GLU 15 -2.002 9.500 2.467 122 2HG GLU 15 1HG GLU 15 -2.118 8.807 4.084 123 H ALA 16 H ALA 16 1.209 5.577 2.682 124 HA ALA 16 HA ALA 16 -0.780 4.377 0.997 125 1HB ALA 16 3HB ALA 16 2.064 4.049 1.502 126 2HB ALA 16 2HB ALA 16 1.272 2.490 1.280 127 3HB ALA 16 1HB ALA 16 1.149 3.728 0.029 128 H LYS 17 H LYS 17 1.129 2.340 3.188 129 HA LYS 17 HA LYS 17 -0.754 0.323 3.543 130 1HB LYS 17 2HB LYS 17 1.691 0.970 4.694 131 2HB LYS 17 1HB LYS 17 0.584 0.978 6.066 132 1HG LYS 17 2HG LYS 17 0.331 -1.275 4.135 133 2HG LYS 17 1HG LYS 17 1.745 -1.276 5.188 134 1HD LYS 17 2HD LYS 17 -0.579 -0.574 6.729 135 2HD LYS 17 1HD LYS 17 -0.899 -2.068 5.845 136 1HE LYS 17 2HE LYS 17 0.689 -3.250 6.995 137 2HE LYS 17 1HE LYS 17 1.773 -1.865 7.124 138 1HZ LYS 17 1HZ LYS 17 -0.759 -1.793 8.594 139 2HZ LYS 17 3HZ LYS 17 0.488 -2.770 9.199 140 3HZ LYS 17 2HZ LYS 17 0.742 -1.104 8.990 141 H LYS 18 H LYS 18 -0.581 3.426 5.140 142 HA LYS 18 HA LYS 18 -2.437 3.111 7.222 143 1HB LYS 18 2HB LYS 18 -1.146 5.127 7.047 144 2HB LYS 18 1HB LYS 18 -1.813 5.484 5.450 145 1HG LYS 18 2HG LYS 18 -4.036 5.807 6.421 146 2HG LYS 18 1HG LYS 18 -3.432 5.357 8.016 147 1HD LYS 18 2HD LYS 18 -1.996 7.292 8.102 148 2HD LYS 18 1HD LYS 18 -2.344 7.690 6.418 149 1HE LYS 18 2HE LYS 18 -3.933 9.060 7.297 150 2HE LYS 18 1HE LYS 18 -4.868 7.576 7.480 151 1HZ LYS 18 1HZ LYS 18 -2.985 8.036 9.605 152 2HZ LYS 18 3HZ LYS 18 -4.178 9.236 9.492 153 3HZ LYS 18 2HZ LYS 18 -4.627 7.608 9.681 154 H VAL 19 H VAL 19 -3.319 4.926 4.308 155 HA VAL 19 HA VAL 19 -6.135 4.441 4.701 156 HB VAL 19 HB VAL 19 -5.043 5.277 2.037 157 1HG1 VAL 19 2HG1 VAL 19 -7.535 5.161 2.927 158 2HG1 VAL 19 1HG1 VAL 19 -7.115 6.711 3.659 159 3HG1 VAL 19 3HG1 VAL 19 -7.009 6.504 1.910 160 1HG2 VAL 19 3HG2 VAL 19 -4.414 6.529 4.636 161 2HG2 VAL 19 2HG2 VAL 19 -3.632 6.745 3.072 162 3HG2 VAL 19 1HG2 VAL 19 -5.107 7.637 3.452 163 H ILE 20 H ILE 20 -3.813 3.121 2.320 164 HA ILE 20 HA ILE 20 -5.615 1.576 0.826 165 HB ILE 20 HB ILE 20 -2.720 1.121 1.565 166 1HG1 ILE 20 2HG1 ILE 20 -3.394 1.363 -1.240 167 2HG1 ILE 20 1HG1 ILE 20 -4.084 2.709 -0.331 168 1HG2 ILE 20 2HG2 ILE 20 -4.647 -0.703 0.207 169 2HG2 ILE 20 1HG2 ILE 20 -3.056 -0.533 -0.535 170 3HG2 ILE 20 3HG2 ILE 20 -3.196 -1.089 1.133 171 1HD1 ILE 20 1HD1 ILE 20 -1.409 2.176 0.602 172 2HD1 ILE 20 3HD1 ILE 20 -1.396 2.391 -1.148 173 3HD1 ILE 20 2HD1 ILE 20 -2.058 3.653 -0.110 174 H LEU 21 H LEU 21 -3.824 0.560 3.769 175 HA LEU 21 HA LEU 21 -4.635 -2.040 4.084 176 1HB LEU 21 2HB LEU 21 -3.295 -0.902 5.774 177 2HB LEU 21 1HB LEU 21 -4.676 0.101 6.228 178 HG LEU 21 HG LEU 21 -5.332 -2.742 6.279 179 1HD1 LEU 21 3HD1 LEU 21 -2.802 -2.618 6.904 180 2HD1 LEU 21 2HD1 LEU 21 -3.371 -1.867 8.393 181 3HD1 LEU 21 1HD1 LEU 21 -3.889 -3.499 7.977 182 1HD2 LEU 21 2HD2 LEU 21 -5.726 -0.267 7.823 183 2HD2 LEU 21 1HD2 LEU 21 -6.833 -1.614 7.561 184 3HD2 LEU 21 3HD2 LEU 21 -5.607 -1.714 8.823 185 H GLN 22 H GLN 22 -6.758 0.749 4.268 186 HA GLN 22 HA GLN 22 -9.041 -1.122 4.307 187 1HB GLN 22 2HB GLN 22 -8.180 0.338 6.627 188 2HB GLN 22 1HB GLN 22 -9.754 0.944 6.109 189 1HG GLN 22 2HG GLN 22 -10.817 -1.066 6.494 190 2HG GLN 22 1HG GLN 22 -9.381 -2.019 6.115 191 1HE2 GLN 22 2HE2 GLN 22 -8.686 -2.443 9.533 192 2HE2 GLN 22 1HE2 GLN 22 -8.700 -3.099 7.967 193 H ASP 23 H ASP 23 -7.844 0.933 2.412 194 HA ASP 23 HA ASP 23 -9.448 3.261 2.292 195 1HB ASP 23 2HB ASP 23 -7.623 1.912 0.555 196 2HB ASP 23 1HB ASP 23 -9.080 2.274 -0.372 197 H LYS 24 H LYS 24 -9.981 0.271 0.384 198 HA LYS 24 HA LYS 24 -12.809 0.988 0.080 199 1HB LYS 24 2HB LYS 24 -11.251 -1.455 -0.825 200 2HB LYS 24 1HB LYS 24 -12.904 -1.063 -1.305 201 1HG LYS 24 2HG LYS 24 -12.209 0.891 -2.454 202 2HG LYS 24 1HG LYS 24 -10.598 0.830 -1.737 203 1HD LYS 24 2HD LYS 24 -10.695 0.003 -4.120 204 2HD LYS 24 1HD LYS 24 -10.055 -1.177 -2.975 205 1HE LYS 24 2HE LYS 24 -12.986 -1.257 -3.291 206 2HE LYS 24 1HE LYS 24 -12.086 -1.693 -4.742 207 1HZ LYS 24 1HZ LYS 24 -10.802 -3.266 -3.396 208 2HZ LYS 24 3HZ LYS 24 -11.753 -2.885 -2.043 209 3HZ LYS 24 2HZ LYS 24 -12.461 -3.633 -3.396 210 HA PRO 25 HA PRO 25 -14.081 -2.075 3.195 211 1HB PRO 25 2HB PRO 25 -13.664 -4.764 2.836 212 2HB PRO 25 1HB PRO 25 -14.974 -3.876 2.040 213 1HG PRO 25 2HG PRO 25 -12.433 -4.908 0.880 214 2HG PRO 25 1HG PRO 25 -13.981 -4.580 0.081 215 1HD PRO 25 2HD PRO 25 -11.677 -2.934 0.007 216 2HD PRO 25 1HD PRO 25 -13.314 -2.493 -0.531 217 H GLU 26 H GLU 26 -11.296 -4.088 2.221 218 HA GLU 26 HA GLU 26 -9.625 -3.075 4.395 219 1HB GLU 26 2HB GLU 26 -10.298 -6.020 4.481 220 2HB GLU 26 1HB GLU 26 -9.464 -5.048 5.694 221 1HG GLU 26 2HG GLU 26 -11.553 -3.803 6.132 222 2HG GLU 26 1HG GLU 26 -12.385 -4.774 4.915 223 H ALA 27 H ALA 27 -8.873 -2.803 1.914 224 HA ALA 27 HA ALA 27 -7.491 -5.224 0.979 225 1HB ALA 27 1HB ALA 27 -7.920 -2.464 -0.137 226 2HB ALA 27 3HB ALA 27 -6.655 -3.495 -0.805 227 3HB ALA 27 2HB ALA 27 -8.337 -4.023 -0.851 228 H GLN 28 H GLN 28 -5.527 -5.694 1.823 229 HA GLN 28 HA GLN 28 -3.988 -3.592 3.193 230 1HB GLN 28 2HB GLN 28 -4.335 -6.308 3.625 231 2HB GLN 28 1HB GLN 28 -2.716 -6.217 2.927 232 1HG GLN 28 2HG GLN 28 -1.909 -4.856 4.654 233 2HG GLN 28 1HG GLN 28 -3.521 -4.301 5.105 234 1HE2 GLN 28 2HE2 GLN 28 -2.243 -7.974 6.442 235 2HE2 GLN 28 1HE2 GLN 28 -1.514 -7.292 5.070 236 H ILE 29 H ILE 29 -1.551 -3.609 2.789 237 HA ILE 29 HA ILE 29 -0.887 -4.166 -0.046 238 HB ILE 29 HB ILE 29 -1.639 -1.760 0.231 239 1HG1 ILE 29 2HG1 ILE 29 1.286 -2.006 -0.501 240 2HG1 ILE 29 1HG1 ILE 29 0.003 -2.660 -1.520 241 1HG2 ILE 29 1HG2 ILE 29 -0.519 -1.624 2.536 242 2HG2 ILE 29 3HG2 ILE 29 0.999 -1.422 1.662 243 3HG2 ILE 29 2HG2 ILE 29 -0.295 -0.239 1.466 244 1HD1 ILE 29 3HD1 ILE 29 -1.054 -0.365 -1.514 245 2HD1 ILE 29 2HD1 ILE 29 0.396 0.231 -0.707 246 3HD1 ILE 29 1HD1 ILE 29 0.507 -0.443 -2.332 247 H ILE 30 H ILE 30 1.162 -4.941 -0.270 248 HA ILE 30 HA ILE 30 2.780 -5.303 2.175 249 HB ILE 30 HB ILE 30 2.741 -6.432 -0.597 250 1HG1 ILE 30 2HG1 ILE 30 2.659 -8.526 0.557 251 2HG1 ILE 30 1HG1 ILE 30 3.233 -7.798 2.057 252 1HG2 ILE 30 3HG2 ILE 30 5.181 -5.923 0.963 253 2HG2 ILE 30 2HG2 ILE 30 4.984 -7.602 0.464 254 3HG2 ILE 30 1HG2 ILE 30 4.995 -6.320 -0.747 255 1HD1 ILE 30 3HD1 ILE 30 0.680 -6.805 0.829 256 2HD1 ILE 30 2HD1 ILE 30 0.667 -8.307 1.753 257 3HD1 ILE 30 1HD1 ILE 30 1.176 -6.804 2.521 258 H VAL 31 H VAL 31 4.514 -3.972 2.609 259 HA VAL 31 HA VAL 31 5.172 -1.994 0.523 260 HB VAL 31 HB VAL 31 6.132 -2.118 3.390 261 1HG1 VAL 31 1HG1 VAL 31 6.858 -0.503 1.154 262 2HG1 VAL 31 3HG1 VAL 31 5.963 0.507 2.288 263 3HG1 VAL 31 2HG1 VAL 31 7.404 -0.358 2.824 264 1HG2 VAL 31 1HG2 VAL 31 3.701 -0.886 2.098 265 2HG2 VAL 31 3HG2 VAL 31 3.786 -1.880 3.552 266 3HG2 VAL 31 2HG2 VAL 31 4.377 -0.221 3.584 267 H LEU 32 H LEU 32 7.108 -1.909 -0.513 268 HA LEU 32 HA LEU 32 9.379 -3.546 0.442 269 1HB LEU 32 2HB LEU 32 9.645 -4.714 -1.651 270 2HB LEU 32 1HB LEU 32 7.987 -4.977 -1.116 271 HG LEU 32 HG LEU 32 7.998 -2.590 -2.647 272 1HD1 LEU 32 3HD1 LEU 32 10.205 -4.017 -3.396 273 2HD1 LEU 32 2HD1 LEU 32 8.986 -4.719 -4.457 274 3HD1 LEU 32 1HD1 LEU 32 9.293 -2.983 -4.493 275 1HD2 LEU 32 3HD2 LEU 32 6.334 -4.626 -2.291 276 2HD2 LEU 32 2HD2 LEU 32 6.287 -3.700 -3.790 277 3HD2 LEU 32 1HD2 LEU 32 7.125 -5.251 -3.737 278 HA PRO 33 HA PRO 33 11.612 -0.171 -1.264 279 1HB PRO 33 2HB PRO 33 14.063 -1.386 -1.498 280 2HB PRO 33 1HB PRO 33 13.361 -0.913 0.060 281 1HG PRO 33 2HG PRO 33 13.641 -3.636 -1.117 282 2HG PRO 33 1HG PRO 33 13.539 -3.154 0.585 283 1HD PRO 33 2HD PRO 33 11.431 -4.234 -0.989 284 2HD PRO 33 1HD PRO 33 11.277 -3.505 0.624 285 H VAL 34 H VAL 34 10.106 -0.993 -3.296 286 HA VAL 34 HA VAL 34 9.957 -1.505 -5.571 287 HB VAL 34 HB VAL 34 12.378 -0.524 -6.600 288 1HG1 VAL 34 3HG1 VAL 34 9.994 -0.095 -7.307 289 2HG1 VAL 34 2HG1 VAL 34 9.880 1.073 -5.990 290 3HG1 VAL 34 1HG1 VAL 34 11.024 1.337 -7.306 291 1HG2 VAL 34 2HG2 VAL 34 11.564 0.906 -4.055 292 2HG2 VAL 34 1HG2 VAL 34 13.161 0.295 -4.487 293 3HG2 VAL 34 3HG2 VAL 34 12.496 1.696 -5.328 294 H GLY 35 H GLY 35 13.477 -1.683 -5.712 295 1HA GLY 35 2HA GLY 35 14.789 -3.462 -6.547 296 2HA GLY 35 1HA GLY 35 14.034 -4.336 -5.213 297 H THR 36 H THR 36 13.949 -6.299 -6.458 298 HA THR 36 HA THR 36 12.276 -6.255 -8.911 299 HB THR 36 HB THR 36 13.298 -8.833 -7.842 300 HG1 THR 36 HG1 THR 36 15.237 -8.104 -7.620 301 1HG2 THR 36 3HG2 THR 36 12.575 -7.584 -10.368 302 2HG2 THR 36 2HG2 THR 36 14.148 -8.375 -10.466 303 3HG2 THR 36 1HG2 THR 36 12.728 -9.296 -9.971 304 H ILE 37 H ILE 37 11.433 -9.082 -8.356 305 HA ILE 37 HA ILE 37 8.879 -8.539 -7.223 306 HB ILE 37 HB ILE 37 9.730 -10.555 -8.672 307 1HG1 ILE 37 2HG1 ILE 37 7.928 -11.748 -6.732 308 2HG1 ILE 37 1HG1 ILE 37 7.460 -10.086 -7.090 309 1HG2 ILE 37 2HG2 ILE 37 11.166 -11.100 -6.391 310 2HG2 ILE 37 1HG2 ILE 37 9.768 -12.158 -6.205 311 3HG2 ILE 37 3HG2 ILE 37 10.780 -12.282 -7.643 312 1HD1 ILE 37 2HD1 ILE 37 8.095 -11.066 -9.588 313 2HD1 ILE 37 1HD1 ILE 37 7.360 -12.467 -8.811 314 3HD1 ILE 37 3HD1 ILE 37 6.461 -10.953 -8.932 315 H VAL 38 H VAL 38 8.295 -10.287 -5.227 316 HA VAL 38 HA VAL 38 8.982 -9.059 -2.856 317 HB VAL 38 HB VAL 38 7.323 -10.870 -2.985 318 1HG1 VAL 38 1HG1 VAL 38 9.043 -12.238 -4.473 319 2HG1 VAL 38 3HG1 VAL 38 9.510 -12.915 -2.912 320 3HG1 VAL 38 2HG1 VAL 38 7.849 -13.075 -3.481 321 1HG2 VAL 38 2HG2 VAL 38 8.500 -10.271 -0.809 322 2HG2 VAL 38 1HG2 VAL 38 7.794 -11.887 -0.858 323 3HG2 VAL 38 3HG2 VAL 38 9.531 -11.677 -1.076 324 H THR 39 H THR 39 10.870 -11.545 -4.545 325 HA THR 39 HA THR 39 13.002 -12.431 -4.044 326 HB THR 39 HB THR 39 13.500 -10.223 -5.081 327 HG1 THR 39 HG1 THR 39 15.588 -9.996 -3.914 328 1HG2 THR 39 2HG2 THR 39 13.367 -9.328 -2.198 329 2HG2 THR 39 1HG2 THR 39 14.221 -8.404 -3.434 330 3HG2 THR 39 3HG2 THR 39 12.485 -8.676 -3.578 331 1H GLU 41 2H GLU 41 -13.377 -10.819 -10.522 332 2H GLU 41 1H GLU 41 -12.363 -9.728 -11.340 333 3H GLU 41 3H GLU 41 -12.132 -11.398 -11.525 334 HA GLU 41 HA GLU 41 -11.018 -11.622 -9.603 335 1HB GLU 41 2HB GLU 41 -10.798 -8.609 -9.782 336 2HB GLU 41 1HB GLU 41 -9.579 -9.755 -9.220 337 1HG GLU 41 2HG GLU 41 -9.076 -10.487 -11.377 338 2HG GLU 41 1HG GLU 41 -10.641 -9.988 -12.019 339 H TYR 42 H TYR 42 -10.604 -10.407 -7.309 340 HA TYR 42 HA TYR 42 -13.288 -9.651 -6.234 341 1HB TYR 42 2HB TYR 42 -12.830 -10.964 -4.233 342 2HB TYR 42 1HB TYR 42 -12.660 -12.002 -5.648 343 HD1 TYR 42 HD1 TYR 42 -10.234 -12.114 -6.691 344 HD2 TYR 42 HD2 TYR 42 -11.103 -10.900 -2.664 345 HE1 TYR 42 HE1 TYR 42 -7.904 -12.619 -6.036 346 HE2 TYR 42 HE2 TYR 42 -8.772 -11.408 -2.009 347 HH TYR 42 HH TYR 42 -6.739 -11.968 -2.735 348 H ARG 43 H ARG 43 -12.406 -9.148 -3.589 349 HA ARG 43 HA ARG 43 -10.891 -6.647 -4.070 350 1HB ARG 43 2HB ARG 43 -11.657 -5.953 -1.897 351 2HB ARG 43 1HB ARG 43 -13.033 -6.682 -2.724 352 1HG ARG 43 2HG ARG 43 -12.102 -8.889 -1.539 353 2HG ARG 43 1HG ARG 43 -11.453 -7.705 -0.401 354 1HD ARG 43 2HD ARG 43 -13.904 -6.700 -0.565 355 2HD ARG 43 1HD ARG 43 -14.307 -8.350 -1.042 356 HE ARG 43 HE ARG 43 -12.871 -8.823 1.200 357 1HH1 ARG 43 2HH1 ARG 43 -12.921 -6.864 2.927 358 2HH1 ARG 43 1HH1 ARG 43 -14.542 -6.595 3.475 359 1HH2 ARG 43 1HH2 ARG 43 -15.999 -8.325 0.847 360 2HH2 ARG 43 2HH2 ARG 43 -16.285 -7.420 2.295 361 H ILE 44 H ILE 44 -8.986 -8.327 -4.467 362 HA ILE 44 HA ILE 44 -7.736 -9.768 -2.442 363 HB ILE 44 HB ILE 44 -6.711 -9.715 -4.628 364 1HG1 ILE 44 2HG1 ILE 44 -4.539 -8.238 -3.375 365 2HG1 ILE 44 1HG1 ILE 44 -5.316 -9.323 -2.222 366 1HG2 ILE 44 3HG2 ILE 44 -7.426 -7.371 -5.160 367 2HG2 ILE 44 2HG2 ILE 44 -6.142 -6.780 -4.104 368 3HG2 ILE 44 1HG2 ILE 44 -5.738 -7.684 -5.564 369 1HD1 ILE 44 2HD1 ILE 44 -5.173 -10.955 -4.385 370 2HD1 ILE 44 1HD1 ILE 44 -3.738 -9.964 -4.650 371 3HD1 ILE 44 3HD1 ILE 44 -3.919 -10.873 -3.149 372 H ASP 45 H ASP 45 -6.361 -9.231 -0.698 373 HA ASP 45 HA ASP 45 -6.509 -6.365 0.075 374 1HB ASP 45 2HB ASP 45 -6.769 -6.999 2.299 375 2HB ASP 45 1HB ASP 45 -7.599 -8.311 1.462 376 H ARG 46 H ARG 46 -4.496 -7.213 -1.687 377 HA ARG 46 HA ARG 46 -2.130 -6.522 -0.067 378 1HB ARG 46 2HB ARG 46 -2.197 -9.022 -0.091 379 2HB ARG 46 1HB ARG 46 -2.151 -8.978 -1.855 380 1HG ARG 46 2HG ARG 46 -0.060 -7.293 -0.884 381 2HG ARG 46 1HG ARG 46 0.046 -8.833 -0.031 382 1HD ARG 46 2HD ARG 46 -0.476 -9.018 -2.942 383 2HD ARG 46 1HD ARG 46 1.119 -8.417 -2.490 384 HE ARG 46 HE ARG 46 0.029 -11.089 -1.731 385 1HH1 ARG 46 2HH1 ARG 46 2.485 -8.765 -1.279 386 2HH1 ARG 46 1HH1 ARG 46 3.781 -9.914 -1.282 387 1HH2 ARG 46 1HH2 ARG 46 1.743 -12.610 -2.054 388 2HH2 ARG 46 2HH2 ARG 46 3.360 -12.091 -1.714 389 H VAL 47 H VAL 47 -0.571 -5.418 -1.322 390 HA VAL 47 HA VAL 47 -0.880 -5.331 -4.251 391 HB VAL 47 HB VAL 47 -0.710 -2.591 -3.364 392 1HG1 VAL 47 3HG1 VAL 47 -2.803 -4.174 -4.878 393 2HG1 VAL 47 2HG1 VAL 47 -2.747 -2.412 -4.789 394 3HG1 VAL 47 1HG1 VAL 47 -1.440 -3.298 -5.579 395 1HG2 VAL 47 1HG2 VAL 47 -3.056 -4.189 -2.292 396 2HG2 VAL 47 3HG2 VAL 47 -1.905 -3.239 -1.352 397 3HG2 VAL 47 2HG2 VAL 47 -3.041 -2.432 -2.430 398 H ARG 48 H ARG 48 0.967 -3.997 -5.227 399 HA ARG 48 HA ARG 48 3.384 -4.514 -3.602 400 1HB ARG 48 2HB ARG 48 2.792 -4.585 -6.392 401 2HB ARG 48 1HB ARG 48 4.035 -3.353 -6.135 402 1HG ARG 48 2HG ARG 48 4.879 -5.745 -6.505 403 2HG ARG 48 1HG ARG 48 5.501 -4.912 -5.082 404 1HD ARG 48 2HD ARG 48 4.645 -6.496 -3.731 405 2HD ARG 48 1HD ARG 48 3.036 -6.236 -4.405 406 HE ARG 48 HE ARG 48 3.477 -7.988 -6.029 407 1HH1 ARG 48 1HH2 ARG 48 6.451 -7.132 -4.693 408 2HH1 ARG 48 2HH2 ARG 48 7.049 -8.752 -4.559 409 1HH2 ARG 48 2HH1 ARG 48 4.034 -10.220 -5.437 410 2HH2 ARG 48 1HH1 ARG 48 5.682 -10.498 -4.980 411 H LEU 49 H LEU 49 3.269 -2.792 -2.102 412 HA LEU 49 HA LEU 49 3.146 -0.034 -3.053 413 1HB LEU 49 2HB LEU 49 2.277 -0.302 -0.867 414 2HB LEU 49 1HB LEU 49 3.634 -1.308 -0.358 415 HG LEU 49 HG LEU 49 5.131 0.561 -0.339 416 1HD1 LEU 49 3HD1 LEU 49 2.874 2.149 -1.610 417 2HD1 LEU 49 2HD1 LEU 49 4.431 2.810 -1.114 418 3HD1 LEU 49 1HD1 LEU 49 4.352 1.632 -2.426 419 1HD2 LEU 49 2HD2 LEU 49 2.526 0.767 1.023 420 2HD2 LEU 49 1HD2 LEU 49 4.156 0.880 1.689 421 3HD2 LEU 49 3HD2 LEU 49 3.412 2.288 0.928 422 H PHE 50 H PHE 50 4.897 0.131 -4.473 423 HA PHE 50 HA PHE 50 7.613 -0.592 -3.672 424 1HB PHE 50 2HB PHE 50 6.263 0.750 -5.984 425 2HB PHE 50 1HB PHE 50 8.005 0.978 -5.792 426 HD1 PHE 50 HD2 PHE 50 7.109 -2.147 -4.377 427 HD2 PHE 50 HD1 PHE 50 7.741 -0.213 -8.161 428 HE1 PHE 50 HE2 PHE 50 7.461 -4.348 -5.446 429 HE2 PHE 50 HE1 PHE 50 8.092 -2.420 -9.226 430 HZ PHE 50 HZ PHE 50 7.953 -4.490 -7.869 431 H VAL 51 H VAL 51 9.272 1.418 -4.019 432 HA VAL 51 HA VAL 51 8.182 3.904 -2.836 433 HB VAL 51 HB VAL 51 10.481 3.613 -1.346 434 1HG1 VAL 51 3HG1 VAL 51 8.050 4.341 -0.778 435 2HG1 VAL 51 2HG1 VAL 51 7.818 2.655 -0.312 436 3HG1 VAL 51 1HG1 VAL 51 9.035 3.639 0.507 437 1HG2 VAL 51 3HG2 VAL 51 10.253 1.108 -2.207 438 2HG2 VAL 51 2HG2 VAL 51 10.717 1.446 -0.539 439 3HG2 VAL 51 1HG2 VAL 51 9.051 1.012 -0.919 440 H ASP 52 H ASP 52 10.408 5.327 -2.392 441 HA ASP 52 HA ASP 52 11.911 5.130 -4.965 442 1HB ASP 52 2HB ASP 52 11.907 7.461 -5.193 443 2HB ASP 52 1HB ASP 52 10.302 7.145 -4.548 444 H LYS 53 H LYS 53 13.642 7.367 -3.917 445 HA LYS 53 HA LYS 53 15.747 5.790 -2.865 446 1HB LYS 53 2HB LYS 53 15.349 8.774 -2.593 447 2HB LYS 53 1HB LYS 53 16.887 7.904 -2.587 448 1HG LYS 53 2HG LYS 53 14.938 7.975 -4.918 449 2HG LYS 53 1HG LYS 53 16.399 8.958 -4.796 450 1HD LYS 53 2HD LYS 53 17.748 6.866 -4.603 451 2HD LYS 53 1HD LYS 53 16.274 5.931 -4.856 452 1HE LYS 53 2HE LYS 53 16.662 6.102 -7.069 453 2HE LYS 53 1HE LYS 53 16.275 7.816 -6.925 454 1HZ LYS 53 2HZ LYS 53 18.865 7.529 -6.012 455 2HZ LYS 53 1HZ LYS 53 18.777 6.595 -7.429 456 3HZ LYS 53 3HZ LYS 53 18.364 8.239 -7.472 457 H LEU 54 H LEU 54 13.719 8.245 -1.170 458 HA LEU 54 HA LEU 54 14.580 7.007 1.397 459 1HB LEU 54 2HB LEU 54 13.074 9.599 1.008 460 2HB LEU 54 1HB LEU 54 13.925 9.057 2.456 461 HG LEU 54 HG LEU 54 15.927 8.914 0.606 462 1HD1 LEU 54 1HD1 LEU 54 13.838 10.531 -0.551 463 2HD1 LEU 54 3HD1 LEU 54 15.248 11.539 -0.221 464 3HD1 LEU 54 2HD1 LEU 54 15.407 10.105 -1.235 465 1HD2 LEU 54 2HD2 LEU 54 15.014 11.179 2.391 466 2HD2 LEU 54 1HD2 LEU 54 16.266 9.979 2.711 467 3HD2 LEU 54 3HD2 LEU 54 16.543 11.243 1.514 468 H ASP 55 H ASP 55 12.243 6.167 -0.544 469 HA ASP 55 HA ASP 55 10.346 4.858 -0.007 470 1HB ASP 55 2HB ASP 55 9.644 4.512 2.140 471 2HB ASP 55 1HB ASP 55 11.238 5.168 2.485 472 H ASN 56 H ASN 56 10.254 6.979 -1.618 473 HA ASN 56 HA ASN 56 7.792 8.488 -0.874 474 1HB ASN 56 2HB ASN 56 10.084 9.575 -1.747 475 2HB ASN 56 1HB ASN 56 9.366 9.182 -3.313 476 1HD2 ASN 56 2HD2 ASN 56 7.448 11.922 -0.909 477 2HD2 ASN 56 1HD2 ASN 56 8.461 10.763 -0.194 478 H ILE 57 H ILE 57 6.257 7.035 -1.415 479 HA ILE 57 HA ILE 57 6.047 5.119 -3.320 480 HB ILE 57 HB ILE 57 3.852 7.146 -2.853 481 1HG1 ILE 57 2HG1 ILE 57 4.584 4.649 -1.301 482 2HG1 ILE 57 1HG1 ILE 57 4.758 6.303 -0.720 483 1HG2 ILE 57 2HG2 ILE 57 4.055 4.493 -4.157 484 2HG2 ILE 57 1HG2 ILE 57 2.668 4.717 -3.091 485 3HG2 ILE 57 3HG2 ILE 57 2.918 5.809 -4.452 486 1HD1 ILE 57 3HD1 ILE 57 2.087 5.440 -1.731 487 2HD1 ILE 57 2HD1 ILE 57 2.602 4.878 -0.144 488 3HD1 ILE 57 1HD1 ILE 57 2.483 6.605 -0.468 489 H ALA 58 H ALA 58 7.336 5.644 -5.140 490 HA ALA 58 HA ALA 58 6.438 7.841 -6.903 491 1HB ALA 58 3HB ALA 58 8.902 6.603 -6.470 492 2HB ALA 58 2HB ALA 58 8.385 5.976 -8.035 493 3HB ALA 58 1HB ALA 58 8.525 7.717 -7.785 494 H GLN 59 H GLN 59 6.306 4.354 -6.602 495 HA GLN 59 HA GLN 59 4.863 4.142 -9.199 496 1HB GLN 59 2HB GLN 59 6.727 2.470 -7.926 497 2HB GLN 59 1HB GLN 59 5.177 1.650 -7.725 498 1HG GLN 59 2HG GLN 59 6.196 0.944 -9.828 499 2HG GLN 59 1HG GLN 59 4.762 1.914 -10.171 500 1HE2 GLN 59 2HE2 GLN 59 7.002 3.599 -12.404 501 2HE2 GLN 59 1HE2 GLN 59 5.808 2.397 -12.319 502 H VAL 60 H VAL 60 2.652 3.766 -9.200 503 HA VAL 60 HA VAL 60 1.311 3.921 -6.586 504 HB VAL 60 HB VAL 60 0.169 3.882 -9.387 505 1HG1 VAL 60 1HG1 VAL 60 -1.178 3.220 -7.149 506 2HG1 VAL 60 3HG1 VAL 60 -1.289 4.975 -7.039 507 3HG1 VAL 60 2HG1 VAL 60 -1.920 4.143 -8.458 508 1HG2 VAL 60 2HG2 VAL 60 1.697 5.832 -8.412 509 2HG2 VAL 60 1HG2 VAL 60 0.247 6.194 -9.349 510 3HG2 VAL 60 3HG2 VAL 60 0.201 6.269 -7.588 511 HA PRO 61 HA PRO 61 0.484 -0.461 -6.647 512 1HB PRO 61 2HB PRO 61 -0.802 -0.487 -4.219 513 2HB PRO 61 1HB PRO 61 0.962 -0.449 -4.381 514 1HG PRO 61 2HG PRO 61 -0.890 1.733 -3.564 515 2HG PRO 61 1HG PRO 61 0.833 1.529 -3.204 516 1HD PRO 61 2HD PRO 61 -0.289 3.257 -5.169 517 2HD PRO 61 1HD PRO 61 1.431 2.864 -4.960 518 H ARG 62 H ARG 62 -1.597 -1.771 -6.636 519 HA ARG 62 HA ARG 62 -4.084 -0.179 -6.712 520 1HB ARG 62 2HB ARG 62 -2.642 -0.864 -9.076 521 2HB ARG 62 1HB ARG 62 -4.140 -1.796 -9.054 522 1HG ARG 62 2HG ARG 62 -4.806 0.221 -10.056 523 2HG ARG 62 1HG ARG 62 -5.246 0.464 -8.365 524 1HD ARG 62 2HD ARG 62 -3.763 2.150 -8.127 525 2HD ARG 62 1HD ARG 62 -2.476 1.215 -8.888 526 HE ARG 62 HE ARG 62 -4.532 2.691 -10.484 527 1HH1 ARG 62 1HH2 ARG 62 -1.727 0.841 -10.587 528 2HH1 ARG 62 2HH2 ARG 62 -0.866 1.892 -11.660 529 1HH2 ARG 62 2HH1 ARG 62 -3.254 4.402 -11.541 530 2HH2 ARG 62 1HH1 ARG 62 -1.733 3.907 -12.205 531 H VAL 63 H VAL 63 -5.775 -1.352 -5.953 532 HA VAL 63 HA VAL 63 -5.389 -4.300 -5.647 533 HB VAL 63 HB VAL 63 -6.656 -2.184 -3.961 534 1HG1 VAL 63 2HG1 VAL 63 -8.534 -3.773 -4.501 535 2HG1 VAL 63 1HG1 VAL 63 -7.560 -5.080 -3.828 536 3HG1 VAL 63 3HG1 VAL 63 -8.099 -3.756 -2.791 537 1HG2 VAL 63 2HG2 VAL 63 -4.400 -3.412 -3.614 538 2HG2 VAL 63 1HG2 VAL 63 -5.472 -3.263 -2.223 539 3HG2 VAL 63 3HG2 VAL 63 -5.385 -4.785 -3.109 540 H GLY 64 H GLY 64 -6.799 -5.616 -6.740 541 1HA GLY 64 2HA GLY 64 -9.521 -5.254 -7.188 542 2HA GLY 64 1HA GLY 64 -8.743 -4.452 -8.552 No H/Q in entry = 542 Start of MODEL 12 Raw file had 552 H/Q atoms Start of MODEL 12 1 1H MET 1 2H MET 1 -11.977 8.100 -4.935 2 2H MET 1 1H MET 1 -11.791 7.303 -6.423 3 3H MET 1 3H MET 1 -13.336 7.493 -5.752 4 HA MET 1 HA MET 1 -12.771 6.047 -3.917 5 1HB MET 1 2HB MET 1 -12.115 4.924 -6.658 6 2HB MET 1 1HB MET 1 -12.485 3.948 -5.234 7 1HG MET 1 2HG MET 1 -14.650 4.106 -5.859 8 2HG MET 1 1HG MET 1 -14.571 5.783 -5.320 9 1HE MET 1 3HE MET 1 -15.375 3.447 -7.981 10 2HE MET 1 2HE MET 1 -14.759 4.078 -9.506 11 3HE MET 1 1HE MET 1 -13.638 3.425 -8.315 12 H LYS 2 H LYS 2 -11.159 5.212 -2.629 13 HA LYS 2 HA LYS 2 -8.385 5.838 -3.423 14 1HB LYS 2 2HB LYS 2 -9.624 6.125 -1.049 15 2HB LYS 2 1HB LYS 2 -8.948 4.512 -0.825 16 1HG LYS 2 2HG LYS 2 -7.074 5.647 -0.201 17 2HG LYS 2 1HG LYS 2 -6.825 5.795 -1.942 18 1HD LYS 2 2HD LYS 2 -6.615 7.989 -0.880 19 2HD LYS 2 1HD LYS 2 -8.040 7.953 -1.919 20 1HE LYS 2 2HE LYS 2 -8.627 7.050 0.798 21 2HE LYS 2 1HE LYS 2 -8.007 8.700 0.758 22 1HZ LYS 2 2HZ LYS 2 -10.037 7.940 -1.209 23 2HZ LYS 2 1HZ LYS 2 -10.538 8.188 0.396 24 3HZ LYS 2 3HZ LYS 2 -9.766 9.437 -0.453 25 H THR 3 H THR 3 -9.740 3.650 -4.803 26 HA THR 3 HA THR 3 -8.539 1.177 -3.691 27 HB THR 3 HB THR 3 -9.518 0.188 -5.838 28 HG1 THR 3 HG1 THR 3 -10.962 2.588 -5.994 29 1HG2 THR 3 3HG2 THR 3 -11.094 1.505 -3.660 30 2HG2 THR 3 2HG2 THR 3 -11.964 0.773 -5.008 31 3HG2 THR 3 1HG2 THR 3 -10.890 -0.210 -4.016 32 H GLU 4 H GLU 4 -7.843 3.687 -5.942 33 HA GLU 4 HA GLU 4 -5.658 2.088 -7.191 34 1HB GLU 4 2HB GLU 4 -7.146 4.593 -7.956 35 2HB GLU 4 1HB GLU 4 -5.537 4.300 -8.612 36 1HG GLU 4 2HG GLU 4 -6.598 3.079 -10.207 37 2HG GLU 4 1HG GLU 4 -6.774 1.849 -8.955 38 H TRP 5 H TRP 5 -6.361 4.848 -5.168 39 HA TRP 5 HA TRP 5 -4.933 6.307 -4.009 40 1HB TRP 5 2HB TRP 5 -2.976 4.015 -4.344 41 2HB TRP 5 1HB TRP 5 -2.857 5.323 -3.173 42 HD1 TRP 5 HD1 TRP 5 -4.981 5.429 -1.343 43 HE1 TRP 5 HE1 TRP 5 -6.171 3.465 -0.186 44 HE3 TRP 5 HE3 TRP 5 -3.735 1.619 -4.531 45 HZ2 TRP 5 HZ2 TRP 5 -6.543 0.660 -0.542 46 HZ3 TRP 5 HZ3 TRP 5 -4.522 -0.687 -4.082 47 HH2 TRP 5 HH2 TRP 5 -5.924 -1.169 -2.093 48 HA PRO 6 HA PRO 6 -2.455 6.832 -8.027 49 1HB PRO 6 2HB PRO 6 -4.116 8.526 -9.423 50 2HB PRO 6 1HB PRO 6 -4.137 6.764 -9.631 51 1HG PRO 6 2HG PRO 6 -6.068 8.507 -8.155 52 2HG PRO 6 1HG PRO 6 -6.352 6.964 -8.979 53 1HD PRO 6 2HD PRO 6 -6.088 7.279 -6.201 54 2HD PRO 6 1HD PRO 6 -5.914 5.757 -7.088 55 H GLU 7 H GLU 7 -4.588 8.884 -6.259 56 HA GLU 7 HA GLU 7 -3.048 11.333 -6.553 57 1HB GLU 7 2HB GLU 7 -5.394 10.428 -5.041 58 2HB GLU 7 1HB GLU 7 -4.367 11.532 -4.124 59 1HG GLU 7 2HG GLU 7 -5.106 13.283 -5.332 60 2HG GLU 7 1HG GLU 7 -4.621 12.490 -6.831 61 H LEU 8 H LEU 8 -2.579 8.406 -4.876 62 HA LEU 8 HA LEU 8 -1.102 9.557 -2.638 63 1HB LEU 8 2HB LEU 8 -2.332 7.382 -2.496 64 2HB LEU 8 1HB LEU 8 -1.174 6.697 -3.635 65 HG LEU 8 HG LEU 8 0.661 7.365 -2.024 66 1HD1 LEU 8 2HD1 LEU 8 -0.974 9.018 -0.853 67 2HD1 LEU 8 1HD1 LEU 8 -1.541 7.595 0.021 68 3HD1 LEU 8 3HD1 LEU 8 0.144 8.099 0.154 69 1HD2 LEU 8 1HD2 LEU 8 -0.256 5.055 -2.169 70 2HD2 LEU 8 3HD2 LEU 8 0.261 5.460 -0.533 71 3HD2 LEU 8 2HD2 LEU 8 -1.454 5.475 -0.945 72 H VAL 9 H VAL 9 -0.441 9.134 -5.891 73 HA VAL 9 HA VAL 9 2.194 8.132 -5.931 74 HB VAL 9 HB VAL 9 0.824 10.230 -7.624 75 1HG1 VAL 9 1HG1 VAL 9 3.332 10.667 -7.446 76 2HG1 VAL 9 3HG1 VAL 9 3.576 9.064 -8.148 77 3HG1 VAL 9 2HG1 VAL 9 2.751 10.314 -9.078 78 1HG2 VAL 9 1HG2 VAL 9 1.740 7.373 -8.076 79 2HG2 VAL 9 3HG2 VAL 9 0.075 7.948 -7.971 80 3HG2 VAL 9 2HG2 VAL 9 1.083 8.411 -9.343 81 H GLY 10 H GLY 10 4.228 9.210 -5.846 82 1HA GLY 10 2HA GLY 10 5.767 10.740 -4.992 83 2HA GLY 10 1HA GLY 10 4.524 11.966 -5.229 84 H LYS 11 H LYS 11 3.293 9.498 -3.270 85 HA LYS 11 HA LYS 11 3.648 11.230 -0.890 86 1HB LYS 11 2HB LYS 11 1.421 10.040 -1.783 87 2HB LYS 11 1HB LYS 11 2.028 8.727 -0.773 88 1HG LYS 11 2HG LYS 11 0.914 9.866 0.872 89 2HG LYS 11 1HG LYS 11 2.401 10.816 0.910 90 1HD LYS 11 2HD LYS 11 1.437 12.626 -0.117 91 2HD LYS 11 1HD LYS 11 0.374 11.625 -1.107 92 1HE LYS 11 2HE LYS 11 -1.055 11.178 0.834 93 2HE LYS 11 1HE LYS 11 0.024 12.119 1.864 94 1HZ LYS 11 2HZ LYS 11 -0.572 13.745 -0.274 95 2HZ LYS 11 1HZ LYS 11 -2.049 13.021 0.150 96 3HZ LYS 11 3HZ LYS 11 -1.167 13.887 1.311 97 H SER 12 H SER 12 3.119 8.663 0.766 98 HA SER 12 HA SER 12 5.729 7.308 0.474 99 1HB SER 12 2HB SER 12 4.937 8.943 2.885 100 2HB SER 12 1HB SER 12 6.204 7.717 2.936 101 HG SER 12 HG SER 12 6.804 9.088 0.860 102 H VAL 13 H VAL 13 5.920 5.501 2.098 103 HA VAL 13 HA VAL 13 3.772 3.712 1.979 104 HB VAL 13 HB VAL 13 5.921 3.918 4.107 105 1HG1 VAL 13 1HG1 VAL 13 3.636 2.149 3.807 106 2HG1 VAL 13 3HG1 VAL 13 5.151 1.249 3.730 107 3HG1 VAL 13 2HG1 VAL 13 4.795 2.257 5.132 108 1HG2 VAL 13 1HG2 VAL 13 5.741 2.697 1.369 109 2HG2 VAL 13 3HG2 VAL 13 7.077 3.578 2.112 110 3HG2 VAL 13 2HG2 VAL 13 6.743 1.914 2.592 111 H GLU 14 H GLU 14 4.429 6.214 4.389 112 HA GLU 14 HA GLU 14 2.732 5.513 6.470 113 1HB GLU 14 2HB GLU 14 3.344 8.178 5.204 114 2HB GLU 14 1HB GLU 14 2.200 8.069 6.540 115 1HG GLU 14 2HG GLU 14 3.830 7.307 8.046 116 2HG GLU 14 1HG GLU 14 4.907 6.771 6.756 117 H GLU 15 H GLU 15 1.549 7.887 4.105 118 HA GLU 15 HA GLU 15 -1.195 7.348 4.548 119 1HB GLU 15 2HB GLU 15 0.400 8.690 2.431 120 2HB GLU 15 1HB GLU 15 -1.225 8.179 1.969 121 1HG GLU 15 2HG GLU 15 -1.610 9.290 4.479 122 2HG GLU 15 1HG GLU 15 -0.397 10.346 3.757 123 H ALA 16 H ALA 16 1.148 5.749 2.462 124 HA ALA 16 HA ALA 16 -0.695 4.305 0.840 125 1HB ALA 16 2HB ALA 16 2.141 4.311 1.321 126 2HB ALA 16 1HB ALA 16 1.553 2.649 1.265 127 3HB ALA 16 3HB ALA 16 1.265 3.734 -0.095 128 H LYS 17 H LYS 17 1.313 2.451 3.102 129 HA LYS 17 HA LYS 17 -0.524 0.376 3.454 130 1HB LYS 17 2HB LYS 17 1.787 1.406 4.957 131 2HB LYS 17 1HB LYS 17 0.622 0.540 5.958 132 1HG LYS 17 2HG LYS 17 1.155 -0.786 3.394 133 2HG LYS 17 1HG LYS 17 2.583 -0.650 4.422 134 1HD LYS 17 2HD LYS 17 -0.090 -1.733 5.353 135 2HD LYS 17 1HD LYS 17 1.268 -2.738 4.846 136 1HE LYS 17 2HE LYS 17 1.693 -0.637 6.950 137 2HE LYS 17 1HE LYS 17 0.953 -2.175 7.396 138 1HZ LYS 17 1HZ LYS 17 3.289 -2.415 5.721 139 2HZ LYS 17 3HZ LYS 17 3.602 -1.734 7.242 140 3HZ LYS 17 2HZ LYS 17 2.870 -3.264 7.131 141 H LYS 18 H LYS 18 -0.483 3.539 4.912 142 HA LYS 18 HA LYS 18 -2.249 3.174 7.081 143 1HB LYS 18 2HB LYS 18 -1.030 5.246 6.763 144 2HB LYS 18 1HB LYS 18 -1.875 5.552 5.240 145 1HG LYS 18 2HG LYS 18 -3.072 6.874 6.772 146 2HG LYS 18 1HG LYS 18 -4.036 5.400 6.711 147 1HD LYS 18 2HD LYS 18 -1.957 5.072 8.667 148 2HD LYS 18 1HD LYS 18 -2.816 6.578 8.989 149 1HE LYS 18 2HE LYS 18 -4.784 5.512 9.478 150 2HE LYS 18 1HE LYS 18 -4.501 4.229 8.301 151 1HZ LYS 18 3HZ LYS 18 -2.523 3.872 10.125 152 2HZ LYS 18 2HZ LYS 18 -3.846 4.323 11.091 153 3HZ LYS 18 1HZ LYS 18 -3.966 2.986 10.050 154 H VAL 19 H VAL 19 -3.387 5.004 4.277 155 HA VAL 19 HA VAL 19 -6.119 4.265 4.713 156 HB VAL 19 HB VAL 19 -5.117 5.155 2.024 157 1HG1 VAL 19 1HG1 VAL 19 -7.584 5.351 3.685 158 2HG1 VAL 19 3HG1 VAL 19 -7.211 6.721 2.640 159 3HG1 VAL 19 2HG1 VAL 19 -7.416 5.114 1.946 160 1HG2 VAL 19 2HG2 VAL 19 -4.991 6.640 4.638 161 2HG2 VAL 19 1HG2 VAL 19 -3.827 6.629 3.313 162 3HG2 VAL 19 3HG2 VAL 19 -5.339 7.525 3.153 163 H ILE 20 H ILE 20 -3.680 3.023 2.468 164 HA ILE 20 HA ILE 20 -5.268 1.358 0.878 165 HB ILE 20 HB ILE 20 -2.494 0.813 1.976 166 1HG1 ILE 20 2HG1 ILE 20 -3.359 1.951 -0.699 167 2HG1 ILE 20 1HG1 ILE 20 -2.836 2.942 0.664 168 1HG2 ILE 20 2HG2 ILE 20 -4.230 -0.585 -0.019 169 2HG2 ILE 20 1HG2 ILE 20 -2.502 -0.477 -0.354 170 3HG2 ILE 20 3HG2 ILE 20 -3.067 -1.260 1.122 171 1HD1 ILE 20 3HD1 ILE 20 -0.816 1.092 0.524 172 2HD1 ILE 20 2HD1 ILE 20 -1.235 1.288 -1.178 173 3HD1 ILE 20 1HD1 ILE 20 -0.759 2.689 -0.219 174 H LEU 21 H LEU 21 -3.605 0.389 3.913 175 HA LEU 21 HA LEU 21 -4.426 -2.190 4.264 176 1HB LEU 21 2HB LEU 21 -3.182 -1.088 6.005 177 2HB LEU 21 1HB LEU 21 -4.510 0.038 6.312 178 HG LEU 21 HG LEU 21 -5.554 -2.610 6.508 179 1HD1 LEU 21 3HD1 LEU 21 -2.870 -2.747 7.031 180 2HD1 LEU 21 2HD1 LEU 21 -3.514 -2.383 8.631 181 3HD1 LEU 21 1HD1 LEU 21 -4.076 -3.809 7.758 182 1HD2 LEU 21 2HD2 LEU 21 -4.997 -0.350 8.440 183 2HD2 LEU 21 1HD2 LEU 21 -6.538 -0.800 7.711 184 3HD2 LEU 21 3HD2 LEU 21 -5.811 -1.831 8.943 185 H GLN 22 H GLN 22 -6.568 0.591 4.345 186 HA GLN 22 HA GLN 22 -8.843 -1.291 4.269 187 1HB GLN 22 2HB GLN 22 -8.123 0.243 6.612 188 2HB GLN 22 1HB GLN 22 -9.699 0.756 6.006 189 1HG GLN 22 2HG GLN 22 -10.595 -1.442 6.162 190 2HG GLN 22 1HG GLN 22 -8.996 -2.166 6.347 191 1HE2 GLN 22 2HE2 GLN 22 -10.936 -1.353 9.664 192 2HE2 GLN 22 1HE2 GLN 22 -11.624 -1.734 8.159 193 H ASP 23 H ASP 23 -8.038 0.112 2.086 194 HA ASP 23 HA ASP 23 -8.971 2.755 1.791 195 1HB ASP 23 2HB ASP 23 -7.777 1.960 -0.064 196 2HB ASP 23 1HB ASP 23 -8.701 0.454 -0.134 197 H LYS 24 H LYS 24 -10.821 -0.202 0.832 198 HA LYS 24 HA LYS 24 -13.236 1.365 1.604 199 1HB LYS 24 2HB LYS 24 -13.726 -0.863 -0.274 200 2HB LYS 24 1HB LYS 24 -14.381 0.759 -0.247 201 1HG LYS 24 2HG LYS 24 -13.073 0.894 -2.148 202 2HG LYS 24 1HG LYS 24 -11.932 1.454 -0.931 203 1HD LYS 24 2HD LYS 24 -10.694 -0.130 -2.174 204 2HD LYS 24 1HD LYS 24 -11.203 -1.029 -0.758 205 1HE LYS 24 2HE LYS 24 -12.812 -2.249 -1.945 206 2HE LYS 24 1HE LYS 24 -12.945 -1.023 -3.205 207 1HZ LYS 24 2HZ LYS 24 -10.297 -2.024 -3.041 208 2HZ LYS 24 1HZ LYS 24 -11.397 -3.300 -3.265 209 3HZ LYS 24 3HZ LYS 24 -11.358 -2.012 -4.367 210 HA PRO 25 HA PRO 25 -14.090 -2.835 3.458 211 1HB PRO 25 2HB PRO 25 -12.954 -5.120 2.461 212 2HB PRO 25 1HB PRO 25 -14.404 -4.390 1.746 213 1HG PRO 25 2HG PRO 25 -11.656 -4.492 0.664 214 2HG PRO 25 1HG PRO 25 -13.175 -4.157 -0.179 215 1HD PRO 25 2HD PRO 25 -11.193 -2.249 0.741 216 2HD PRO 25 1HD PRO 25 -12.685 -1.942 -0.149 217 H GLU 26 H GLU 26 -11.088 -4.310 2.400 218 HA GLU 26 HA GLU 26 -9.419 -3.271 4.544 219 1HB GLU 26 2HB GLU 26 -9.846 -6.250 4.597 220 2HB GLU 26 1HB GLU 26 -9.206 -5.198 5.856 221 1HG GLU 26 2HG GLU 26 -11.444 -4.231 6.201 222 2HG GLU 26 1HG GLU 26 -12.091 -5.255 4.914 223 H ALA 27 H ALA 27 -8.672 -2.866 2.130 224 HA ALA 27 HA ALA 27 -7.358 -5.225 0.967 225 1HB ALA 27 3HB ALA 27 -7.995 -2.471 0.068 226 2HB ALA 27 2HB ALA 27 -6.482 -3.131 -0.550 227 3HB ALA 27 1HB ALA 27 -7.999 -3.980 -0.846 228 H GLN 28 H GLN 28 -5.418 -5.826 1.775 229 HA GLN 28 HA GLN 28 -3.758 -3.871 3.224 230 1HB GLN 28 2HB GLN 28 -4.201 -6.564 3.571 231 2HB GLN 28 1HB GLN 28 -2.651 -6.558 2.725 232 1HG GLN 28 2HG GLN 28 -1.863 -4.821 4.401 233 2HG GLN 28 1HG GLN 28 -3.339 -5.140 5.313 234 1HE2 GLN 28 2HE2 GLN 28 -2.279 -8.610 5.980 235 2HE2 GLN 28 1HE2 GLN 28 -3.655 -7.813 5.386 236 H ILE 29 H ILE 29 -1.313 -3.969 2.686 237 HA ILE 29 HA ILE 29 -0.890 -4.410 -0.207 238 HB ILE 29 HB ILE 29 -1.526 -2.068 -0.051 239 1HG1 ILE 29 2HG1 ILE 29 1.479 -2.154 -0.306 240 2HG1 ILE 29 1HG1 ILE 29 0.425 -2.907 -1.504 241 1HG2 ILE 29 2HG2 ILE 29 0.569 -2.039 2.123 242 2HG2 ILE 29 1HG2 ILE 29 0.121 -0.562 1.268 243 3HG2 ILE 29 3HG2 ILE 29 -1.094 -1.451 2.189 244 1HD1 ILE 29 2HD1 ILE 29 -0.724 -0.750 -1.855 245 2HD1 ILE 29 1HD1 ILE 29 0.332 0.007 -0.662 246 3HD1 ILE 29 3HD1 ILE 29 1.004 -0.602 -2.175 247 H ILE 30 H ILE 30 1.059 -5.254 -0.639 248 HA ILE 30 HA ILE 30 2.940 -5.729 1.583 249 HB ILE 30 HB ILE 30 2.730 -6.670 -1.283 250 1HG1 ILE 30 2HG1 ILE 30 1.321 -7.765 0.443 251 2HG1 ILE 30 1HG1 ILE 30 2.528 -8.873 -0.210 252 1HG2 ILE 30 2HG2 ILE 30 5.097 -6.585 0.480 253 2HG2 ILE 30 1HG2 ILE 30 4.763 -8.162 -0.242 254 3HG2 ILE 30 3HG2 ILE 30 4.999 -6.751 -1.276 255 1HD1 ILE 30 3HD1 ILE 30 3.998 -7.987 1.790 256 2HD1 ILE 30 2HD1 ILE 30 2.437 -7.550 2.482 257 3HD1 ILE 30 1HD1 ILE 30 2.781 -9.232 2.078 258 H VAL 31 H VAL 31 4.224 -3.941 1.973 259 HA VAL 31 HA VAL 31 5.029 -2.258 -0.294 260 HB VAL 31 HB VAL 31 5.786 -1.957 2.620 261 1HG1 VAL 31 1HG1 VAL 31 5.941 -0.236 0.156 262 2HG1 VAL 31 3HG1 VAL 31 5.805 0.511 1.748 263 3HG1 VAL 31 2HG1 VAL 31 7.177 -0.534 1.379 264 1HG2 VAL 31 2HG2 VAL 31 3.329 -2.030 2.335 265 2HG2 VAL 31 1HG2 VAL 31 3.867 -0.403 2.751 266 3HG2 VAL 31 3HG2 VAL 31 3.438 -0.793 1.084 267 H LEU 32 H LEU 32 7.130 -1.901 -0.954 268 HA LEU 32 HA LEU 32 9.337 -3.451 0.250 269 1HB LEU 32 2HB LEU 32 9.886 -4.551 -1.884 270 2HB LEU 32 1HB LEU 32 8.262 -4.994 -1.381 271 HG LEU 32 HG LEU 32 8.108 -2.598 -2.931 272 1HD1 LEU 32 3HD1 LEU 32 10.341 -4.028 -3.688 273 2HD1 LEU 32 2HD1 LEU 32 9.098 -4.701 -4.741 274 3HD1 LEU 32 1HD1 LEU 32 9.420 -2.968 -4.755 275 1HD2 LEU 32 2HD2 LEU 32 6.555 -4.719 -2.470 276 2HD2 LEU 32 1HD2 LEU 32 6.396 -3.792 -3.959 277 3HD2 LEU 32 3HD2 LEU 32 7.307 -5.301 -3.954 278 HA PRO 33 HA PRO 33 11.610 0.007 -1.136 279 1HB PRO 33 2HB PRO 33 14.068 -1.115 -1.612 280 2HB PRO 33 1HB PRO 33 13.403 -0.845 0.006 281 1HG PRO 33 2HG PRO 33 13.685 -3.399 -1.498 282 2HG PRO 33 1HG PRO 33 13.644 -3.124 0.251 283 1HD PRO 33 2HD PRO 33 11.501 -4.064 -1.335 284 2HD PRO 33 1HD PRO 33 11.383 -3.486 0.340 285 H VAL 34 H VAL 34 10.227 -1.668 -3.337 286 HA VAL 34 HA VAL 34 10.023 -1.316 -5.644 287 HB VAL 34 HB VAL 34 11.641 0.798 -4.831 288 1HG1 VAL 34 3HG1 VAL 34 13.622 -0.565 -5.635 289 2HG1 VAL 34 2HG1 VAL 34 12.944 -0.453 -7.260 290 3HG1 VAL 34 1HG1 VAL 34 13.439 1.010 -6.406 291 1HG2 VAL 34 1HG2 VAL 34 9.884 0.075 -6.991 292 2HG2 VAL 34 3HG2 VAL 34 10.213 1.675 -6.325 293 3HG2 VAL 34 2HG2 VAL 34 11.224 1.033 -7.622 294 H GLY 35 H GLY 35 12.614 -2.845 -4.055 295 1HA GLY 35 2HA GLY 35 14.208 -3.807 -6.177 296 2HA GLY 35 1HA GLY 35 13.914 -4.694 -4.680 297 H THR 36 H THR 36 14.077 -6.408 -6.619 298 HA THR 36 HA THR 36 12.052 -6.857 -8.466 299 HB THR 36 HB THR 36 12.408 -9.335 -7.981 300 HG1 THR 36 HG1 THR 36 13.585 -8.177 -5.798 301 1HG2 THR 36 2HG2 THR 36 14.504 -7.335 -8.678 302 2HG2 THR 36 1HG2 THR 36 15.029 -8.999 -8.419 303 3HG2 THR 36 3HG2 THR 36 13.821 -8.636 -9.654 304 H ILE 37 H ILE 37 10.208 -8.528 -8.223 305 HA ILE 37 HA ILE 37 8.538 -7.660 -5.956 306 HB ILE 37 HB ILE 37 6.728 -8.819 -7.118 307 1HG1 ILE 37 2HG1 ILE 37 7.903 -9.673 -9.523 308 2HG1 ILE 37 1HG1 ILE 37 8.972 -10.276 -8.255 309 1HG2 ILE 37 1HG2 ILE 37 8.490 -6.877 -8.445 310 2HG2 ILE 37 3HG2 ILE 37 7.477 -7.784 -9.568 311 3HG2 ILE 37 2HG2 ILE 37 6.737 -6.860 -8.261 312 1HD1 ILE 37 3HD1 ILE 37 5.966 -10.617 -8.155 313 2HD1 ILE 37 2HD1 ILE 37 7.038 -11.814 -8.883 314 3HD1 ILE 37 1HD1 ILE 37 7.180 -11.432 -7.168 315 H VAL 38 H VAL 38 10.721 -10.156 -6.557 316 HA VAL 38 HA VAL 38 9.288 -12.147 -4.907 317 HB VAL 38 HB VAL 38 11.139 -13.630 -5.434 318 1HG1 VAL 38 3HG1 VAL 38 9.373 -13.087 -7.191 319 2HG1 VAL 38 2HG1 VAL 38 10.561 -12.012 -7.926 320 3HG1 VAL 38 1HG1 VAL 38 10.886 -13.742 -7.813 321 1HG2 VAL 38 3HG2 VAL 38 12.450 -11.040 -6.141 322 2HG2 VAL 38 2HG2 VAL 38 13.129 -12.458 -5.344 323 3HG2 VAL 38 1HG2 VAL 38 12.891 -12.459 -7.092 324 H THR 39 H THR 39 9.401 -11.867 -2.729 325 HA THR 39 HA THR 39 11.926 -10.729 -1.599 326 HB THR 39 HB THR 39 9.241 -10.855 -0.210 327 HG1 THR 39 HG1 THR 39 9.449 -8.475 -0.858 328 1HG2 THR 39 2HG2 THR 39 11.914 -9.986 0.475 329 2HG2 THR 39 1HG2 THR 39 10.780 -8.639 0.579 330 3HG2 THR 39 3HG2 THR 39 10.489 -10.111 1.506 331 1H GLU 41 1H GLU 41 -9.338 -9.436 -9.095 332 2H GLU 41 3H GLU 41 -9.933 -10.983 -9.456 333 3H GLU 41 2H GLU 41 -9.149 -10.074 -10.658 334 HA GLU 41 HA GLU 41 -10.912 -8.516 -10.775 335 1HB GLU 41 2HB GLU 41 -11.136 -11.059 -11.633 336 2HB GLU 41 1HB GLU 41 -12.503 -11.020 -10.520 337 1HG GLU 41 2HG GLU 41 -13.691 -9.982 -12.126 338 2HG GLU 41 1HG GLU 41 -12.623 -8.591 -11.939 339 H TYR 42 H TYR 42 -10.564 -9.937 -7.786 340 HA TYR 42 HA TYR 42 -13.187 -8.869 -6.845 341 1HB TYR 42 2HB TYR 42 -12.755 -10.336 -4.824 342 2HB TYR 42 1HB TYR 42 -12.981 -11.211 -6.333 343 HD1 TYR 42 HD1 TYR 42 -11.058 -12.184 -7.538 344 HD2 TYR 42 HD2 TYR 42 -10.605 -10.299 -3.706 345 HE1 TYR 42 HE1 TYR 42 -8.839 -13.247 -7.279 346 HE2 TYR 42 HE2 TYR 42 -8.385 -11.360 -3.446 347 HH TYR 42 HH TYR 42 -6.602 -12.492 -5.747 348 H ARG 43 H ARG 43 -12.067 -8.941 -4.024 349 HA ARG 43 HA ARG 43 -10.592 -6.356 -4.223 350 1HB ARG 43 2HB ARG 43 -11.485 -5.806 -2.079 351 2HB ARG 43 1HB ARG 43 -12.826 -6.508 -2.984 352 1HG ARG 43 2HG ARG 43 -11.422 -8.646 -1.708 353 2HG ARG 43 1HG ARG 43 -11.712 -7.397 -0.496 354 1HD ARG 43 2HD ARG 43 -14.032 -7.836 -2.228 355 2HD ARG 43 1HD ARG 43 -13.558 -9.295 -1.358 356 HE ARG 43 HE ARG 43 -13.560 -7.175 0.516 357 1HH1 ARG 43 1HH2 ARG 43 -15.919 -7.643 -1.803 358 2HH1 ARG 43 2HH2 ARG 43 -17.210 -7.965 -0.693 359 1HH2 ARG 43 2HH1 ARG 43 -15.139 -8.127 2.083 360 2HH2 ARG 43 1HH1 ARG 43 -16.767 -8.239 1.506 361 H ILE 44 H ILE 44 -8.828 -8.360 -4.656 362 HA ILE 44 HA ILE 44 -7.771 -9.814 -2.525 363 HB ILE 44 HB ILE 44 -6.695 -9.991 -4.682 364 1HG1 ILE 44 2HG1 ILE 44 -4.369 -8.754 -3.527 365 2HG1 ILE 44 1HG1 ILE 44 -5.316 -9.497 -2.233 366 1HG2 ILE 44 1HG2 ILE 44 -7.153 -7.467 -5.144 367 2HG2 ILE 44 3HG2 ILE 44 -5.595 -7.201 -4.363 368 3HG2 ILE 44 2HG2 ILE 44 -5.693 -8.185 -5.823 369 1HD1 ILE 44 1HD1 ILE 44 -5.088 -11.158 -4.659 370 2HD1 ILE 44 3HD1 ILE 44 -3.549 -10.851 -3.853 371 3HD1 ILE 44 2HD1 ILE 44 -4.875 -11.603 -2.966 372 H ASP 45 H ASP 45 -6.593 -9.307 -0.693 373 HA ASP 45 HA ASP 45 -6.490 -6.418 -0.049 374 1HB ASP 45 2HB ASP 45 -6.737 -7.026 2.191 375 2HB ASP 45 1HB ASP 45 -7.606 -8.324 1.373 376 H ARG 46 H ARG 46 -4.549 -7.223 -1.841 377 HA ARG 46 HA ARG 46 -2.113 -6.672 -0.274 378 1HB ARG 46 2HB ARG 46 -1.443 -8.843 -0.303 379 2HB ARG 46 1HB ARG 46 -2.742 -9.301 -1.396 380 1HG ARG 46 2HG ARG 46 -1.450 -8.754 -3.326 381 2HG ARG 46 1HG ARG 46 -0.252 -7.883 -2.369 382 1HD ARG 46 2HD ARG 46 0.701 -9.850 -1.529 383 2HD ARG 46 1HD ARG 46 -0.751 -10.803 -1.846 384 HE ARG 46 HE ARG 46 0.169 -9.947 -4.359 385 1HH1 ARG 46 1HH2 ARG 46 2.446 -10.734 -2.135 386 2HH1 ARG 46 2HH2 ARG 46 2.967 -12.212 -2.873 387 1HH2 ARG 46 2HH1 ARG 46 0.345 -12.319 -5.137 388 2HH2 ARG 46 1HH1 ARG 46 1.779 -13.107 -4.570 389 H VAL 47 H VAL 47 -0.548 -5.581 -1.536 390 HA VAL 47 HA VAL 47 -0.995 -5.280 -4.432 391 HB VAL 47 HB VAL 47 -1.132 -2.908 -2.544 392 1HG1 VAL 47 1HG1 VAL 47 -1.047 -3.211 -5.544 393 2HG1 VAL 47 3HG1 VAL 47 -1.777 -1.801 -4.781 394 3HG1 VAL 47 2HG1 VAL 47 -0.070 -2.155 -4.522 395 1HG2 VAL 47 2HG2 VAL 47 -3.198 -4.272 -4.289 396 2HG2 VAL 47 1HG2 VAL 47 -3.206 -4.170 -2.528 397 3HG2 VAL 47 3HG2 VAL 47 -3.439 -2.714 -3.497 398 H ARG 48 H ARG 48 0.810 -3.807 -5.370 399 HA ARG 48 HA ARG 48 3.322 -4.477 -3.920 400 1HB ARG 48 2HB ARG 48 2.608 -4.661 -6.615 401 2HB ARG 48 1HB ARG 48 3.670 -3.249 -6.539 402 1HG ARG 48 2HG ARG 48 4.979 -5.307 -6.904 403 2HG ARG 48 1HG ARG 48 5.363 -4.586 -5.341 404 1HD ARG 48 2HD ARG 48 4.551 -6.366 -4.193 405 2HD ARG 48 1HD ARG 48 3.123 -6.481 -5.225 406 HE ARG 48 HE ARG 48 5.664 -7.426 -6.402 407 1HH1 ARG 48 1HH1 ARG 48 2.729 -9.785 -6.739 408 2HH1 ARG 48 2HH1 ARG 48 2.867 -8.163 -7.332 409 1HH2 ARG 48 1HH2 ARG 48 5.408 -9.500 -4.558 410 2HH2 ARG 48 2HH2 ARG 48 4.167 -10.542 -5.172 411 H LEU 49 H LEU 49 3.487 -2.764 -2.409 412 HA LEU 49 HA LEU 49 3.249 -0.005 -3.423 413 1HB LEU 49 2HB LEU 49 2.555 -0.885 -1.044 414 2HB LEU 49 1HB LEU 49 4.259 -0.653 -0.677 415 HG LEU 49 HG LEU 49 2.216 1.404 -1.489 416 1HD1 LEU 49 2HD1 LEU 49 4.303 1.148 0.690 417 2HD1 LEU 49 1HD1 LEU 49 3.345 2.604 0.420 418 3HD1 LEU 49 3HD1 LEU 49 2.551 1.098 0.882 419 1HD2 LEU 49 2HD2 LEU 49 4.198 1.630 -3.017 420 2HD2 LEU 49 1HD2 LEU 49 4.025 3.001 -1.915 421 3HD2 LEU 49 3HD2 LEU 49 5.234 1.757 -1.594 422 H PHE 50 H PHE 50 5.020 -0.111 -4.906 423 HA PHE 50 HA PHE 50 7.730 -0.674 -4.028 424 1HB PHE 50 2HB PHE 50 6.395 0.525 -6.433 425 2HB PHE 50 1HB PHE 50 8.135 0.767 -6.230 426 HD1 PHE 50 HD1 PHE 50 7.122 -2.283 -4.691 427 HD2 PHE 50 HD2 PHE 50 8.011 -0.527 -8.506 428 HE1 PHE 50 HE1 PHE 50 7.474 -4.541 -5.655 429 HE2 PHE 50 HE2 PHE 50 8.380 -2.781 -9.461 430 HZ PHE 50 HZ PHE 50 8.110 -4.791 -8.035 431 H VAL 51 H VAL 51 9.215 0.855 -3.175 432 HA VAL 51 HA VAL 51 8.184 3.654 -2.959 433 HB VAL 51 HB VAL 51 9.605 3.688 -0.786 434 1HG1 VAL 51 3HG1 VAL 51 6.944 3.313 -1.292 435 2HG1 VAL 51 2HG1 VAL 51 7.312 1.883 -0.330 436 3HG1 VAL 51 1HG1 VAL 51 7.627 3.491 0.323 437 1HG2 VAL 51 3HG2 VAL 51 10.193 1.103 -1.628 438 2HG2 VAL 51 2HG2 VAL 51 10.472 1.746 -0.012 439 3HG2 VAL 51 1HG2 VAL 51 8.988 0.860 -0.363 440 H ASP 52 H ASP 52 10.351 4.950 -1.976 441 HA ASP 52 HA ASP 52 12.537 4.302 -3.899 442 1HB ASP 52 2HB ASP 52 12.300 6.278 -4.972 443 2HB ASP 52 1HB ASP 52 10.770 6.454 -4.122 444 H LYS 53 H LYS 53 14.284 6.271 -3.234 445 HA LYS 53 HA LYS 53 15.775 5.374 -1.117 446 1HB LYS 53 2HB LYS 53 15.442 8.287 -1.808 447 2HB LYS 53 1HB LYS 53 16.909 7.481 -1.245 448 1HG LYS 53 2HG LYS 53 16.618 6.030 -3.399 449 2HG LYS 53 1HG LYS 53 15.563 7.342 -3.940 450 1HD LYS 53 2HD LYS 53 17.457 8.945 -3.413 451 2HD LYS 53 1HD LYS 53 18.490 7.537 -3.162 452 1HE LYS 53 2HE LYS 53 17.020 7.288 -5.647 453 2HE LYS 53 1HE LYS 53 17.933 8.797 -5.612 454 1HZ LYS 53 3HZ LYS 53 19.453 6.635 -4.561 455 2HZ LYS 53 2HZ LYS 53 18.924 6.294 -6.137 456 3HZ LYS 53 1HZ LYS 53 19.830 7.697 -5.829 457 H LEU 54 H LEU 54 13.852 8.383 -0.822 458 HA LEU 54 HA LEU 54 13.686 7.944 2.093 459 1HB LEU 54 2HB LEU 54 14.236 10.195 1.208 460 2HB LEU 54 1HB LEU 54 12.670 10.245 0.398 461 HG LEU 54 HG LEU 54 12.139 9.526 3.078 462 1HD1 LEU 54 3HD1 LEU 54 14.550 10.531 3.316 463 2HD1 LEU 54 2HD1 LEU 54 13.733 12.075 3.072 464 3HD1 LEU 54 1HD1 LEU 54 13.287 11.047 4.434 465 1HD2 LEU 54 2HD2 LEU 54 11.200 11.270 1.143 466 2HD2 LEU 54 1HD2 LEU 54 10.573 11.141 2.785 467 3HD2 LEU 54 3HD2 LEU 54 11.786 12.360 2.399 468 H ASP 55 H ASP 55 12.249 5.996 0.763 469 HA ASP 55 HA ASP 55 10.100 5.081 0.505 470 1HB ASP 55 2HB ASP 55 8.663 6.519 2.494 471 2HB ASP 55 1HB ASP 55 9.362 4.905 2.622 472 H ASN 56 H ASN 56 10.301 6.820 -1.470 473 HA ASN 56 HA ASN 56 7.945 8.641 -1.260 474 1HB ASN 56 2HB ASN 56 9.829 9.912 -1.958 475 2HB ASN 56 1HB ASN 56 10.368 8.643 -3.058 476 1HD2 ASN 56 2HD2 ASN 56 8.763 10.359 -5.681 477 2HD2 ASN 56 1HD2 ASN 56 10.199 9.678 -5.083 478 H ILE 57 H ILE 57 6.296 7.250 -1.677 479 HA ILE 57 HA ILE 57 6.102 5.090 -3.371 480 HB ILE 57 HB ILE 57 3.952 7.222 -3.251 481 1HG1 ILE 57 2HG1 ILE 57 4.697 5.058 -1.254 482 2HG1 ILE 57 1HG1 ILE 57 4.662 6.798 -0.970 483 1HG2 ILE 57 3HG2 ILE 57 4.024 4.246 -3.770 484 2HG2 ILE 57 2HG2 ILE 57 2.539 5.065 -3.286 485 3HG2 ILE 57 1HG2 ILE 57 3.346 5.518 -4.787 486 1HD1 ILE 57 1HD1 ILE 57 2.208 5.243 -1.803 487 2HD1 ILE 57 3HD1 ILE 57 2.639 5.503 -0.113 488 3HD1 ILE 57 2HD1 ILE 57 2.280 6.881 -1.155 489 H ALA 58 H ALA 58 7.421 5.341 -5.204 490 HA ALA 58 HA ALA 58 6.823 7.503 -7.123 491 1HB ALA 58 3HB ALA 58 8.985 5.565 -6.693 492 2HB ALA 58 2HB ALA 58 8.538 5.726 -8.391 493 3HB ALA 58 1HB ALA 58 9.037 7.146 -7.471 494 H GLN 59 H GLN 59 5.861 4.282 -6.471 495 HA GLN 59 HA GLN 59 4.413 4.203 -9.082 496 1HB GLN 59 2HB GLN 59 6.394 2.364 -8.158 497 2HB GLN 59 1HB GLN 59 4.834 1.542 -8.098 498 1HG GLN 59 2HG GLN 59 4.454 2.507 -10.467 499 2HG GLN 59 1HG GLN 59 6.193 2.813 -10.474 500 1HE2 GLN 59 2HE2 GLN 59 5.264 -0.712 -11.716 501 2HE2 GLN 59 1HE2 GLN 59 4.523 0.783 -12.039 502 H VAL 60 H VAL 60 2.451 4.885 -8.201 503 HA VAL 60 HA VAL 60 1.409 4.173 -5.686 504 HB VAL 60 HB VAL 60 0.299 5.242 -8.223 505 1HG1 VAL 60 3HG1 VAL 60 -1.374 3.773 -6.183 506 2HG1 VAL 60 2HG1 VAL 60 -2.042 5.119 -7.106 507 3HG1 VAL 60 1HG1 VAL 60 -1.455 3.684 -7.942 508 1HG2 VAL 60 1HG2 VAL 60 0.017 5.932 -5.284 509 2HG2 VAL 60 3HG2 VAL 60 1.109 6.701 -6.436 510 3HG2 VAL 60 2HG2 VAL 60 -0.635 6.893 -6.610 511 HA PRO 61 HA PRO 61 0.354 -0.084 -6.334 512 1HB PRO 61 2HB PRO 61 -0.943 -0.401 -3.929 513 2HB PRO 61 1HB PRO 61 0.821 -0.368 -4.088 514 1HG PRO 61 2HG PRO 61 -1.010 1.713 -3.006 515 2HG PRO 61 1HG PRO 61 0.708 1.445 -2.667 516 1HD PRO 61 2HD PRO 61 -0.379 3.424 -4.394 517 2HD PRO 61 1HD PRO 61 1.334 2.977 -4.244 518 H ARG 62 H ARG 62 -1.648 -1.385 -6.559 519 HA ARG 62 HA ARG 62 -4.190 0.154 -6.519 520 1HB ARG 62 2HB ARG 62 -2.745 -0.357 -8.871 521 2HB ARG 62 1HB ARG 62 -4.053 -1.540 -8.865 522 1HG ARG 62 2HG ARG 62 -5.103 0.282 -9.863 523 2HG ARG 62 1HG ARG 62 -5.521 0.536 -8.168 524 1HD ARG 62 2HD ARG 62 -4.689 2.625 -9.194 525 2HD ARG 62 1HD ARG 62 -3.602 2.069 -7.921 526 HE ARG 62 HE ARG 62 -2.521 0.942 -10.188 527 1HH1 ARG 62 2HH1 ARG 62 -3.283 4.079 -9.001 528 2HH1 ARG 62 1HH1 ARG 62 -2.263 4.904 -10.131 529 1HH2 ARG 62 1HH2 ARG 62 -1.292 2.012 -11.775 530 2HH2 ARG 62 2HH2 ARG 62 -1.135 3.736 -11.699 531 H VAL 63 H VAL 63 -5.883 -1.102 -5.800 532 HA VAL 63 HA VAL 63 -5.334 -4.023 -5.481 533 HB VAL 63 HB VAL 63 -6.269 -2.015 -3.651 534 1HG1 VAL 63 3HG1 VAL 63 -8.195 -4.327 -4.032 535 2HG1 VAL 63 2HG1 VAL 63 -8.230 -3.169 -2.700 536 3HG1 VAL 63 1HG1 VAL 63 -8.556 -2.629 -4.348 537 1HG2 VAL 63 3HG2 VAL 63 -5.071 -4.632 -3.686 538 2HG2 VAL 63 2HG2 VAL 63 -5.029 -3.417 -2.409 539 3HG2 VAL 63 1HG2 VAL 63 -6.348 -4.586 -2.470 540 H GLY 64 H GLY 64 -6.983 -5.503 -6.090 541 1HA GLY 64 2HA GLY 64 -9.327 -5.876 -6.831 542 2HA GLY 64 1HA GLY 64 -9.246 -4.309 -7.640 No H/Q in entry = 542 Start of MODEL 13 Raw file had 552 H/Q atoms Start of MODEL 13 1 1H MET 1 2H MET 1 -12.702 7.090 -4.332 2 2H MET 1 1H MET 1 -13.553 6.370 -5.614 3 3H MET 1 3H MET 1 -14.293 6.542 -4.098 4 HA MET 1 HA MET 1 -13.305 4.741 -3.229 5 1HB MET 1 2HB MET 1 -12.736 4.198 -6.159 6 2HB MET 1 1HB MET 1 -12.970 2.995 -4.890 7 1HG MET 1 2HG MET 1 -15.134 5.009 -5.266 8 2HG MET 1 1HG MET 1 -14.971 3.763 -6.503 9 1HE MET 1 3HE MET 1 -16.304 4.943 -3.526 10 2HE MET 1 2HE MET 1 -17.625 4.066 -4.293 11 3HE MET 1 1HE MET 1 -17.082 3.595 -2.684 12 H LYS 2 H LYS 2 -11.403 4.417 -2.181 13 HA LYS 2 HA LYS 2 -8.935 5.552 -3.338 14 1HB LYS 2 2HB LYS 2 -9.786 4.577 -0.636 15 2HB LYS 2 1HB LYS 2 -8.063 4.621 -1.014 16 1HG LYS 2 2HG LYS 2 -9.970 6.965 -1.285 17 2HG LYS 2 1HG LYS 2 -8.818 6.739 0.031 18 1HD LYS 2 2HD LYS 2 -7.126 6.466 -2.035 19 2HD LYS 2 1HD LYS 2 -8.327 7.503 -2.807 20 1HE LYS 2 2HE LYS 2 -7.122 8.130 -0.104 21 2HE LYS 2 1HE LYS 2 -6.436 8.724 -1.617 22 1HZ LYS 2 3HZ LYS 2 -9.149 9.233 -1.740 23 2HZ LYS 2 2HZ LYS 2 -8.671 9.689 -0.174 24 3HZ LYS 2 1HZ LYS 2 -7.902 10.364 -1.531 25 H THR 3 H THR 3 -9.874 3.321 -4.771 26 HA THR 3 HA THR 3 -8.294 0.991 -3.857 27 HB THR 3 HB THR 3 -9.457 0.832 -6.539 28 HG1 THR 3 HG1 THR 3 -11.412 1.450 -6.100 29 1HG2 THR 3 2HG2 THR 3 -9.581 -0.684 -3.941 30 2HG2 THR 3 1HG2 THR 3 -10.644 -1.106 -5.284 31 3HG2 THR 3 3HG2 THR 3 -8.895 -1.192 -5.485 32 H GLU 4 H GLU 4 -7.948 3.729 -5.894 33 HA GLU 4 HA GLU 4 -5.775 2.443 -7.465 34 1HB GLU 4 2HB GLU 4 -7.269 5.060 -7.718 35 2HB GLU 4 1HB GLU 4 -5.801 4.736 -8.638 36 1HG GLU 4 2HG GLU 4 -6.803 3.088 -9.930 37 2HG GLU 4 1HG GLU 4 -7.976 2.674 -8.678 38 H TRP 5 H TRP 5 -6.351 5.211 -5.323 39 HA TRP 5 HA TRP 5 -4.818 6.439 -4.029 40 1HB TRP 5 2HB TRP 5 -2.969 4.114 -4.628 41 2HB TRP 5 1HB TRP 5 -2.760 5.315 -3.356 42 HD1 TRP 5 HD1 TRP 5 -4.908 5.385 -1.532 43 HE1 TRP 5 HE1 TRP 5 -6.077 3.359 -0.451 44 HE3 TRP 5 HE3 TRP 5 -3.686 1.751 -4.920 45 HZ2 TRP 5 HZ2 TRP 5 -6.420 0.561 -0.943 46 HZ3 TRP 5 HZ3 TRP 5 -4.427 -0.582 -4.572 47 HH2 TRP 5 HH2 TRP 5 -5.783 -1.182 -2.591 48 HA PRO 6 HA PRO 6 -2.445 7.217 -8.069 49 1HB PRO 6 2HB PRO 6 -4.091 9.091 -9.242 50 2HB PRO 6 1HB PRO 6 -4.173 7.361 -9.619 51 1HG PRO 6 2HG PRO 6 -6.004 9.007 -7.919 52 2HG PRO 6 1HG PRO 6 -6.360 7.558 -8.876 53 1HD PRO 6 2HD PRO 6 -6.006 7.593 -6.093 54 2HD PRO 6 1HD PRO 6 -5.892 6.159 -7.126 55 H GLU 7 H GLU 7 -4.442 9.131 -6.023 56 HA GLU 7 HA GLU 7 -2.835 11.555 -6.092 57 1HB GLU 7 2HB GLU 7 -4.685 10.525 -3.915 58 2HB GLU 7 1HB GLU 7 -4.087 12.177 -4.069 59 1HG GLU 7 2HG GLU 7 -5.852 10.732 -6.069 60 2HG GLU 7 1HG GLU 7 -6.359 12.033 -4.989 61 H LEU 8 H LEU 8 -2.436 8.437 -4.788 62 HA LEU 8 HA LEU 8 -0.877 9.195 -2.471 63 1HB LEU 8 2HB LEU 8 -2.116 6.985 -2.808 64 2HB LEU 8 1HB LEU 8 -0.812 6.530 -3.904 65 HG LEU 8 HG LEU 8 0.824 6.937 -2.078 66 1HD1 LEU 8 2HD1 LEU 8 -1.572 8.026 -0.822 67 2HD1 LEU 8 1HD1 LEU 8 -0.771 6.844 0.212 68 3HD1 LEU 8 3HD1 LEU 8 0.118 8.246 -0.377 69 1HD2 LEU 8 1HD2 LEU 8 -0.707 4.743 -2.505 70 2HD2 LEU 8 3HD2 LEU 8 0.545 4.809 -1.269 71 3HD2 LEU 8 2HD2 LEU 8 -1.139 5.086 -0.830 72 H VAL 9 H VAL 9 -0.259 9.332 -5.771 73 HA VAL 9 HA VAL 9 2.429 8.394 -5.914 74 HB VAL 9 HB VAL 9 0.940 10.553 -7.430 75 1HG1 VAL 9 1HG1 VAL 9 3.437 11.097 -7.185 76 2HG1 VAL 9 3HG1 VAL 9 3.748 9.598 -8.068 77 3HG1 VAL 9 2HG1 VAL 9 2.854 10.904 -8.843 78 1HG2 VAL 9 2HG2 VAL 9 1.848 7.727 -7.927 79 2HG2 VAL 9 1HG2 VAL 9 0.254 8.440 -8.177 80 3HG2 VAL 9 3HG2 VAL 9 1.571 8.814 -9.288 81 H GLY 10 H GLY 10 4.399 9.523 -5.625 82 1HA GLY 10 2HA GLY 10 5.832 11.055 -4.602 83 2HA GLY 10 1HA GLY 10 4.558 12.247 -4.848 84 H LYS 11 H LYS 11 3.315 9.637 -3.085 85 HA LYS 11 HA LYS 11 3.573 11.229 -0.580 86 1HB LYS 11 2HB LYS 11 1.421 9.783 -1.782 87 2HB LYS 11 1HB LYS 11 1.811 8.995 -0.256 88 1HG LYS 11 2HG LYS 11 1.648 11.986 -0.330 89 2HG LYS 11 1HG LYS 11 0.147 11.058 -0.324 90 1HD LYS 11 2HD LYS 11 0.468 11.218 1.949 91 2HD LYS 11 1HD LYS 11 1.418 9.763 1.647 92 1HE LYS 11 2HE LYS 11 3.454 10.903 1.788 93 2HE LYS 11 1HE LYS 11 2.718 12.461 1.412 94 1HZ LYS 11 2HZ LYS 11 1.901 11.056 3.854 95 2HZ LYS 11 1HZ LYS 11 3.391 11.872 3.841 96 3HZ LYS 11 3HZ LYS 11 1.957 12.724 3.535 97 H SER 12 H SER 12 2.988 8.895 1.139 98 HA SER 12 HA SER 12 5.487 7.310 0.735 99 1HB SER 12 2HB SER 12 4.956 9.256 2.787 100 2HB SER 12 1HB SER 12 5.159 7.662 3.516 101 HG SER 12 HG SER 12 7.028 9.277 2.597 102 H VAL 13 H VAL 13 5.530 5.303 1.996 103 HA VAL 13 HA VAL 13 3.214 3.725 1.740 104 HB VAL 13 HB VAL 13 5.407 3.331 3.797 105 1HG1 VAL 13 3HG1 VAL 13 3.100 1.780 2.926 106 2HG1 VAL 13 2HG1 VAL 13 4.603 0.892 2.682 107 3HG1 VAL 13 1HG1 VAL 13 4.186 1.493 4.287 108 1HG2 VAL 13 2HG2 VAL 13 5.397 3.195 0.855 109 2HG2 VAL 13 1HG2 VAL 13 6.759 3.304 1.969 110 3HG2 VAL 13 3HG2 VAL 13 6.015 1.740 1.636 111 H GLU 14 H GLU 14 4.267 5.774 4.415 112 HA GLU 14 HA GLU 14 2.645 4.900 6.499 113 1HB GLU 14 2HB GLU 14 3.050 7.788 5.653 114 2HB GLU 14 1HB GLU 14 2.538 7.244 7.252 115 1HG GLU 14 2HG GLU 14 5.205 6.772 5.904 116 2HG GLU 14 1HG GLU 14 4.893 7.634 7.411 117 H GLU 15 H GLU 15 1.611 7.510 4.284 118 HA GLU 15 HA GLU 15 -1.172 7.277 4.906 119 1HB GLU 15 2HB GLU 15 0.124 9.170 3.675 120 2HB GLU 15 1HB GLU 15 -0.131 8.195 2.228 121 1HG GLU 15 2HG GLU 15 -2.020 9.578 2.223 122 2HG GLU 15 1HG GLU 15 -2.624 8.126 3.023 123 H ALA 16 H ALA 16 0.889 5.596 2.591 124 HA ALA 16 HA ALA 16 -1.265 4.476 1.053 125 1HB ALA 16 1HB ALA 16 1.205 4.592 0.417 126 2HB ALA 16 3HB ALA 16 1.448 3.194 1.456 127 3HB ALA 16 2HB ALA 16 0.391 3.076 0.051 128 H LYS 17 H LYS 17 0.899 2.371 2.967 129 HA LYS 17 HA LYS 17 -0.899 0.304 3.397 130 1HB LYS 17 2HB LYS 17 1.607 0.931 4.366 131 2HB LYS 17 1HB LYS 17 0.623 0.973 5.829 132 1HG LYS 17 2HG LYS 17 0.339 -1.315 3.898 133 2HG LYS 17 1HG LYS 17 1.661 -1.306 5.065 134 1HD LYS 17 2HD LYS 17 -0.651 -0.565 6.509 135 2HD LYS 17 1HD LYS 17 -1.124 -1.930 5.497 136 1HE LYS 17 2HE LYS 17 1.345 -1.898 7.256 137 2HE LYS 17 1HE LYS 17 -0.195 -2.620 7.724 138 1HZ LYS 17 2HZ LYS 17 0.270 -3.658 5.260 139 2HZ LYS 17 1HZ LYS 17 1.823 -3.618 5.948 140 3HZ LYS 17 3HZ LYS 17 0.571 -4.446 6.736 141 H LYS 18 H LYS 18 -0.608 3.313 5.226 142 HA LYS 18 HA LYS 18 -2.370 2.878 7.345 143 1HB LYS 18 2HB LYS 18 -1.153 4.949 7.171 144 2HB LYS 18 1HB LYS 18 -1.943 5.343 5.639 145 1HG LYS 18 2HG LYS 18 -4.089 5.586 6.752 146 2HG LYS 18 1HG LYS 18 -3.408 5.016 8.277 147 1HD LYS 18 2HD LYS 18 -1.702 7.035 7.799 148 2HD LYS 18 1HD LYS 18 -3.109 7.663 6.940 149 1HE LYS 18 2HE LYS 18 -2.841 6.975 9.861 150 2HE LYS 18 1HE LYS 18 -3.407 8.476 9.129 151 1HZ LYS 18 2HZ LYS 18 -5.161 6.736 8.139 152 2HZ LYS 18 1HZ LYS 18 -4.841 6.009 9.641 153 3HZ LYS 18 3HZ LYS 18 -5.413 7.604 9.578 154 H VAL 19 H VAL 19 -3.414 4.689 4.468 155 HA VAL 19 HA VAL 19 -6.203 4.085 4.960 156 HB VAL 19 HB VAL 19 -5.088 5.072 2.332 157 1HG1 VAL 19 1HG1 VAL 19 -7.651 4.639 3.256 158 2HG1 VAL 19 3HG1 VAL 19 -7.416 6.355 3.588 159 3HG1 VAL 19 2HG1 VAL 19 -7.221 5.741 1.947 160 1HG2 VAL 19 2HG2 VAL 19 -5.381 6.594 4.941 161 2HG2 VAL 19 1HG2 VAL 19 -3.906 6.392 3.995 162 3HG2 VAL 19 3HG2 VAL 19 -5.229 7.379 3.371 163 H ILE 20 H ILE 20 -4.054 3.155 2.236 164 HA ILE 20 HA ILE 20 -5.595 1.455 0.779 165 HB ILE 20 HB ILE 20 -2.758 1.053 1.738 166 1HG1 ILE 20 2HG1 ILE 20 -3.478 1.318 -1.119 167 2HG1 ILE 20 1HG1 ILE 20 -3.796 2.742 -0.126 168 1HG2 ILE 20 1HG2 ILE 20 -4.545 -0.864 0.393 169 2HG2 ILE 20 3HG2 ILE 20 -3.022 -0.587 -0.452 170 3HG2 ILE 20 2HG2 ILE 20 -3.015 -1.144 1.223 171 1HD1 ILE 20 2HD1 ILE 20 -1.254 1.750 0.640 172 2HD1 ILE 20 1HD1 ILE 20 -1.286 1.763 -1.123 173 3HD1 ILE 20 3HD1 ILE 20 -1.610 3.243 -0.227 174 H LEU 21 H LEU 21 -3.928 0.370 3.769 175 HA LEU 21 HA LEU 21 -4.730 -2.230 4.014 176 1HB LEU 21 2HB LEU 21 -3.520 -0.827 5.756 177 2HB LEU 21 1HB LEU 21 -5.110 -0.275 6.294 178 HG LEU 21 HG LEU 21 -5.002 -3.176 6.000 179 1HD1 LEU 21 3HD1 LEU 21 -2.996 -1.770 7.768 180 2HD1 LEU 21 2HD1 LEU 21 -3.591 -3.386 8.148 181 3HD1 LEU 21 1HD1 LEU 21 -2.717 -3.099 6.644 182 1HD2 LEU 21 3HD2 LEU 21 -5.791 -1.125 8.052 183 2HD2 LEU 21 2HD2 LEU 21 -6.792 -2.336 7.251 184 3HD2 LEU 21 1HD2 LEU 21 -5.670 -2.820 8.523 185 H GLN 22 H GLN 22 -6.818 0.509 4.988 186 HA GLN 22 HA GLN 22 -9.144 -1.296 4.480 187 1HB GLN 22 2HB GLN 22 -8.403 0.194 6.900 188 2HB GLN 22 1HB GLN 22 -10.060 0.481 6.371 189 1HG GLN 22 2HG GLN 22 -10.720 -1.670 6.800 190 2HG GLN 22 1HG GLN 22 -9.172 -2.356 6.302 191 1HE2 GLN 22 2HE2 GLN 22 -9.036 -0.682 10.047 192 2HE2 GLN 22 1HE2 GLN 22 -9.636 0.223 8.742 193 H ASP 23 H ASP 23 -7.900 0.719 2.705 194 HA ASP 23 HA ASP 23 -9.220 3.198 2.665 195 1HB ASP 23 2HB ASP 23 -8.932 3.135 0.194 196 2HB ASP 23 1HB ASP 23 -7.468 2.631 1.038 197 H LYS 24 H LYS 24 -10.301 0.095 1.267 198 HA LYS 24 HA LYS 24 -13.037 1.252 1.156 199 1HB LYS 24 2HB LYS 24 -11.813 -1.034 -0.415 200 2HB LYS 24 1HB LYS 24 -13.503 -0.539 -0.524 201 1HG LYS 24 2HG LYS 24 -12.998 1.304 -1.755 202 2HG LYS 24 1HG LYS 24 -11.529 1.635 -0.836 203 1HD LYS 24 2HD LYS 24 -11.113 0.949 -3.229 204 2HD LYS 24 1HD LYS 24 -10.308 -0.073 -2.039 205 1HE LYS 24 2HE LYS 24 -11.324 -1.567 -3.611 206 2HE LYS 24 1HE LYS 24 -12.338 -1.611 -2.171 207 1HZ LYS 24 1HZ LYS 24 -13.607 0.276 -3.359 208 2HZ LYS 24 3HZ LYS 24 -12.856 -0.311 -4.762 209 3HZ LYS 24 2HZ LYS 24 -13.866 -1.329 -3.850 210 HA PRO 25 HA PRO 25 -14.193 -2.368 3.720 211 1HB PRO 25 2HB PRO 25 -13.612 -4.952 3.004 212 2HB PRO 25 1HB PRO 25 -14.987 -4.053 2.338 213 1HG PRO 25 2HG PRO 25 -12.399 -4.748 1.045 214 2HG PRO 25 1HG PRO 25 -13.976 -4.433 0.304 215 1HD PRO 25 2HD PRO 25 -11.805 -2.625 0.415 216 2HD PRO 25 1HD PRO 25 -13.482 -2.242 -0.029 217 H GLU 26 H GLU 26 -11.371 -4.161 2.489 218 HA GLU 26 HA GLU 26 -9.638 -3.297 4.668 219 1HB GLU 26 2HB GLU 26 -10.385 -6.232 4.585 220 2HB GLU 26 1HB GLU 26 -9.380 -5.405 5.772 221 1HG GLU 26 2HG GLU 26 -11.359 -4.077 6.487 222 2HG GLU 26 1HG GLU 26 -12.352 -4.978 5.338 223 H ALA 27 H ALA 27 -8.892 -2.844 2.241 224 HA ALA 27 HA ALA 27 -7.613 -5.208 1.049 225 1HB ALA 27 1HB ALA 27 -8.389 -2.553 0.134 226 2HB ALA 27 3HB ALA 27 -6.734 -2.938 -0.337 227 3HB ALA 27 2HB ALA 27 -8.058 -4.002 -0.812 228 H GLN 28 H GLN 28 -5.644 -5.824 1.817 229 HA GLN 28 HA GLN 28 -3.992 -3.869 3.287 230 1HB GLN 28 2HB GLN 28 -2.969 -6.610 2.743 231 2HB GLN 28 1HB GLN 28 -2.937 -5.674 4.239 232 1HG GLN 28 2HG GLN 28 -5.610 -6.038 3.985 233 2HG GLN 28 1HG GLN 28 -5.030 -7.506 3.200 234 1HE2 GLN 28 2HE2 GLN 28 -5.140 -7.555 7.127 235 2HE2 GLN 28 1HE2 GLN 28 -6.140 -6.642 6.104 236 H ILE 29 H ILE 29 -1.597 -3.803 2.751 237 HA ILE 29 HA ILE 29 -1.086 -4.292 -0.132 238 HB ILE 29 HB ILE 29 -1.807 -1.958 0.057 239 1HG1 ILE 29 2HG1 ILE 29 1.128 -1.667 -0.280 240 2HG1 ILE 29 1HG1 ILE 29 0.333 -2.879 -1.289 241 1HG2 ILE 29 2HG2 ILE 29 -1.012 -1.767 2.485 242 2HG2 ILE 29 1HG2 ILE 29 0.602 -1.506 1.827 243 3HG2 ILE 29 3HG2 ILE 29 -0.696 -0.371 1.453 244 1HD1 ILE 29 2HD1 ILE 29 -1.419 -0.914 -1.663 245 2HD1 ILE 29 1HD1 ILE 29 -0.032 0.093 -1.248 246 3HD1 ILE 29 3HD1 ILE 29 0.056 -1.007 -2.625 247 H ILE 30 H ILE 30 0.894 -5.116 -0.481 248 HA ILE 30 HA ILE 30 2.722 -5.450 1.809 249 HB ILE 30 HB ILE 30 2.628 -6.546 -1.008 250 1HG1 ILE 30 2HG1 ILE 30 1.195 -7.495 0.875 251 2HG1 ILE 30 1HG1 ILE 30 2.272 -8.653 0.092 252 1HG2 ILE 30 1HG2 ILE 30 4.945 -6.182 0.704 253 2HG2 ILE 30 3HG2 ILE 30 4.645 -7.892 0.395 254 3HG2 ILE 30 2HG2 ILE 30 4.865 -6.778 -0.956 255 1HD1 ILE 30 3HD1 ILE 30 3.326 -7.153 2.453 256 2HD1 ILE 30 2HD1 ILE 30 2.159 -8.441 2.752 257 3HD1 ILE 30 1HD1 ILE 30 3.673 -8.799 1.922 258 H VAL 31 H VAL 31 4.245 -3.898 2.154 259 HA VAL 31 HA VAL 31 5.025 -2.159 -0.115 260 HB VAL 31 HB VAL 31 4.432 -0.937 1.867 261 1HG1 VAL 31 3HG1 VAL 31 5.726 -3.195 3.169 262 2HG1 VAL 31 2HG1 VAL 31 6.308 -1.663 3.821 263 3HG1 VAL 31 1HG1 VAL 31 4.583 -2.029 3.837 264 1HG2 VAL 31 3HG2 VAL 31 7.451 -1.139 1.620 265 2HG2 VAL 31 2HG2 VAL 31 6.398 -0.053 0.711 266 3HG2 VAL 31 1HG2 VAL 31 6.597 0.161 2.451 267 H LEU 32 H LEU 32 7.074 -2.190 -0.991 268 HA LEU 32 HA LEU 32 9.186 -3.711 0.421 269 1HB LEU 32 2HB LEU 32 9.769 -4.833 -1.810 270 2HB LEU 32 1HB LEU 32 8.377 -5.458 -0.954 271 HG LEU 32 HG LEU 32 8.252 -3.484 -3.237 272 1HD1 LEU 32 3HD1 LEU 32 7.862 -6.477 -3.025 273 2HD1 LEU 32 2HD1 LEU 32 7.178 -5.546 -4.352 274 3HD1 LEU 32 1HD1 LEU 32 8.927 -5.606 -4.123 275 1HD2 LEU 32 2HD2 LEU 32 6.284 -4.503 -1.292 276 2HD2 LEU 32 1HD2 LEU 32 6.181 -3.102 -2.359 277 3HD2 LEU 32 3HD2 LEU 32 5.787 -4.709 -2.971 278 HA PRO 33 HA PRO 33 11.664 -0.449 -1.060 279 1HB PRO 33 2HB PRO 33 14.116 -1.632 -0.748 280 2HB PRO 33 1HB PRO 33 13.137 -1.048 0.609 281 1HG PRO 33 2HG PRO 33 13.602 -3.853 -0.305 282 2HG PRO 33 1HG PRO 33 13.251 -3.247 1.324 283 1HD PRO 33 2HD PRO 33 11.389 -4.472 -0.408 284 2HD PRO 33 1HD PRO 33 10.989 -3.525 1.043 285 H VAL 34 H VAL 34 10.679 -1.186 -3.346 286 HA VAL 34 HA VAL 34 11.073 -1.837 -5.597 287 HB VAL 34 HB VAL 34 13.614 -0.373 -4.835 288 1HG1 VAL 34 1HG1 VAL 34 12.601 -1.509 -7.394 289 2HG1 VAL 34 3HG1 VAL 34 13.283 0.116 -7.467 290 3HG1 VAL 34 2HG1 VAL 34 14.261 -1.225 -6.870 291 1HG2 VAL 34 3HG2 VAL 34 10.855 0.402 -5.235 292 2HG2 VAL 34 2HG2 VAL 34 12.225 1.404 -4.748 293 3HG2 VAL 34 1HG2 VAL 34 11.878 1.159 -6.460 294 H GLY 35 H GLY 35 14.507 -2.012 -5.046 295 1HA GLY 35 2HA GLY 35 15.948 -3.833 -5.496 296 2HA GLY 35 1HA GLY 35 15.024 -4.561 -4.179 297 H THR 36 H THR 36 15.498 -4.473 -7.624 298 HA THR 36 HA THR 36 13.359 -5.671 -8.810 299 HB THR 36 HB THR 36 15.144 -7.186 -10.005 300 HG1 THR 36 HG1 THR 36 16.616 -6.781 -8.172 301 1HG2 THR 36 3HG2 THR 36 14.291 -4.514 -10.274 302 2HG2 THR 36 2HG2 THR 36 16.041 -4.484 -10.488 303 3HG2 THR 36 1HG2 THR 36 15.047 -5.521 -11.509 304 H ILE 37 H ILE 37 12.156 -6.870 -7.211 305 HA ILE 37 HA ILE 37 11.689 -8.720 -5.798 306 HB ILE 37 HB ILE 37 12.227 -10.846 -7.472 307 1HG1 ILE 37 2HG1 ILE 37 11.739 -8.381 -9.178 308 2HG1 ILE 37 1HG1 ILE 37 13.236 -9.314 -9.144 309 1HG2 ILE 37 2HG2 ILE 37 9.935 -8.899 -7.261 310 2HG2 ILE 37 1HG2 ILE 37 9.855 -10.282 -8.352 311 3HG2 ILE 37 3HG2 ILE 37 10.051 -10.536 -6.618 312 1HD1 ILE 37 3HD1 ILE 37 11.346 -11.270 -9.573 313 2HD1 ILE 37 2HD1 ILE 37 10.689 -9.910 -10.487 314 3HD1 ILE 37 1HD1 ILE 37 12.314 -10.507 -10.836 315 H VAL 38 H VAL 38 13.653 -8.291 -4.409 316 HA VAL 38 HA VAL 38 15.889 -10.186 -4.883 317 HB VAL 38 HB VAL 38 15.472 -7.913 -2.928 318 1HG1 VAL 38 3HG1 VAL 38 17.432 -10.173 -2.909 319 2HG1 VAL 38 2HG1 VAL 38 18.019 -8.568 -2.478 320 3HG1 VAL 38 1HG1 VAL 38 16.709 -9.305 -1.555 321 1HG2 VAL 38 3HG2 VAL 38 17.320 -8.452 -5.265 322 2HG2 VAL 38 2HG2 VAL 38 16.154 -7.140 -5.087 323 3HG2 VAL 38 1HG2 VAL 38 17.618 -7.159 -4.104 324 H THR 39 H THR 39 14.077 -9.215 -1.949 325 HA THR 39 HA THR 39 13.210 -11.931 -1.409 326 HB THR 39 HB THR 39 15.269 -10.832 0.511 327 HG1 THR 39 HG1 THR 39 16.744 -11.481 -0.805 328 1HG2 THR 39 1HG2 THR 39 13.458 -13.067 0.446 329 2HG2 THR 39 3HG2 THR 39 15.120 -13.659 0.460 330 3HG2 THR 39 2HG2 THR 39 14.558 -12.577 1.734 331 1H GLU 41 3H GLU 41 -12.478 -6.171 -10.191 332 2H GLU 41 2H GLU 41 -10.941 -6.897 -10.197 333 3H GLU 41 1H GLU 41 -11.992 -7.114 -11.514 334 HA GLU 41 HA GLU 41 -13.396 -8.530 -10.354 335 1HB GLU 41 2HB GLU 41 -10.806 -9.204 -10.697 336 2HB GLU 41 1HB GLU 41 -10.908 -9.348 -8.941 337 1HG GLU 41 2HG GLU 41 -11.735 -11.422 -9.356 338 2HG GLU 41 1HG GLU 41 -13.234 -10.578 -9.744 339 H TYR 42 H TYR 42 -12.681 -9.791 -7.823 340 HA TYR 42 HA TYR 42 -14.236 -8.238 -6.041 341 1HB TYR 42 2HB TYR 42 -13.583 -9.784 -4.323 342 2HB TYR 42 1HB TYR 42 -13.701 -10.701 -5.823 343 HD1 TYR 42 HD1 TYR 42 -11.527 -11.061 -7.182 344 HD2 TYR 42 HD2 TYR 42 -11.584 -9.769 -3.087 345 HE1 TYR 42 HE1 TYR 42 -9.176 -11.781 -6.924 346 HE2 TYR 42 HE2 TYR 42 -9.235 -10.493 -2.827 347 HH TYR 42 HH TYR 42 -7.484 -12.060 -5.509 348 H ARG 43 H ARG 43 -12.630 -8.173 -3.647 349 HA ARG 43 HA ARG 43 -10.925 -5.818 -4.339 350 1HB ARG 43 2HB ARG 43 -11.321 -5.051 -2.061 351 2HB ARG 43 1HB ARG 43 -12.868 -5.420 -2.825 352 1HG ARG 43 2HG ARG 43 -11.893 -7.825 -1.634 353 2HG ARG 43 1HG ARG 43 -11.771 -6.542 -0.429 354 1HD ARG 43 2HD ARG 43 -14.079 -6.094 -0.498 355 2HD ARG 43 1HD ARG 43 -14.276 -6.860 -2.073 356 HE ARG 43 HE ARG 43 -13.986 -9.052 -0.924 357 1HH1 ARG 43 2HH1 ARG 43 -12.958 -7.350 1.562 358 2HH1 ARG 43 1HH1 ARG 43 -14.235 -7.712 2.675 359 1HH2 ARG 43 1HH2 ARG 43 -16.328 -9.043 0.251 360 2HH2 ARG 43 2HH2 ARG 43 -16.142 -8.673 1.933 361 H ILE 44 H ILE 44 -9.071 -7.293 -4.825 362 HA ILE 44 HA ILE 44 -7.974 -9.159 -3.043 363 HB ILE 44 HB ILE 44 -6.959 -8.714 -5.248 364 1HG1 ILE 44 2HG1 ILE 44 -4.542 -8.131 -3.980 365 2HG1 ILE 44 1HG1 ILE 44 -5.526 -8.843 -2.699 366 1HG2 ILE 44 3HG2 ILE 44 -6.811 -6.015 -4.105 367 2HG2 ILE 44 2HG2 ILE 44 -5.288 -6.538 -4.827 368 3HG2 ILE 44 1HG2 ILE 44 -6.762 -6.519 -5.795 369 1HD1 ILE 44 1HD1 ILE 44 -5.602 -10.201 -5.348 370 2HD1 ILE 44 3HD1 ILE 44 -4.105 -10.344 -4.426 371 3HD1 ILE 44 2HD1 ILE 44 -5.628 -10.891 -3.726 372 H ASP 45 H ASP 45 -6.632 -8.964 -1.201 373 HA ASP 45 HA ASP 45 -6.662 -6.244 -0.002 374 1HB ASP 45 2HB ASP 45 -6.945 -7.216 2.097 375 2HB ASP 45 1HB ASP 45 -7.819 -8.345 1.060 376 H ARG 46 H ARG 46 -4.649 -7.152 -1.900 377 HA ARG 46 HA ARG 46 -2.287 -6.566 -0.235 378 1HB ARG 46 2HB ARG 46 -2.516 -9.092 -0.340 379 2HB ARG 46 1HB ARG 46 -2.287 -8.971 -2.086 380 1HG ARG 46 2HG ARG 46 -0.234 -7.412 -0.949 381 2HG ARG 46 1HG ARG 46 -0.299 -8.888 0.016 382 1HD ARG 46 2HD ARG 46 -0.552 -9.369 -2.873 383 2HD ARG 46 1HD ARG 46 0.990 -8.644 -2.411 384 HE ARG 46 HE ARG 46 1.342 -10.571 -0.898 385 1HH1 ARG 46 1HH2 ARG 46 -1.803 -10.842 -2.001 386 2HH1 ARG 46 2HH2 ARG 46 -1.687 -12.506 -2.471 387 1HH2 ARG 46 2HH1 ARG 46 1.745 -12.675 -2.005 388 2HH2 ARG 46 1HH1 ARG 46 0.320 -13.543 -2.473 389 H VAL 47 H VAL 47 -0.685 -5.486 -1.445 390 HA VAL 47 HA VAL 47 -0.973 -5.353 -4.381 391 HB VAL 47 HB VAL 47 -0.863 -2.742 -2.894 392 1HG1 VAL 47 3HG1 VAL 47 -1.752 -3.731 -5.596 393 2HG1 VAL 47 2HG1 VAL 47 -2.229 -2.145 -4.991 394 3HG1 VAL 47 1HG1 VAL 47 -0.521 -2.524 -5.221 395 1HG2 VAL 47 2HG2 VAL 47 -3.298 -4.448 -3.392 396 2HG2 VAL 47 1HG2 VAL 47 -2.786 -3.703 -1.879 397 3HG2 VAL 47 3HG2 VAL 47 -3.395 -2.700 -3.195 398 H ARG 48 H ARG 48 0.913 -4.044 -5.333 399 HA ARG 48 HA ARG 48 3.343 -4.653 -3.739 400 1HB ARG 48 2HB ARG 48 2.706 -4.818 -6.495 401 2HB ARG 48 1HB ARG 48 3.939 -3.564 -6.328 402 1HG ARG 48 2HG ARG 48 4.878 -5.883 -6.629 403 2HG ARG 48 1HG ARG 48 5.413 -5.078 -5.155 404 1HD ARG 48 2HD ARG 48 4.605 -7.542 -4.979 405 2HD ARG 48 1HD ARG 48 4.015 -6.387 -3.783 406 HE ARG 48 HE ARG 48 1.948 -6.211 -5.309 407 1HH1 ARG 48 1HH2 ARG 48 1.967 -7.775 -7.491 408 2HH1 ARG 48 2HH2 ARG 48 1.661 -9.408 -7.000 409 1HH2 ARG 48 2HH1 ARG 48 2.426 -8.826 -3.666 410 2HH2 ARG 48 1HH1 ARG 48 1.918 -10.002 -4.832 411 H LEU 49 H LEU 49 2.832 -2.734 -2.288 412 HA LEU 49 HA LEU 49 3.119 -0.091 -3.499 413 1HB LEU 49 2HB LEU 49 1.855 -0.146 -1.461 414 2HB LEU 49 1HB LEU 49 3.136 -1.013 -0.616 415 HG LEU 49 HG LEU 49 4.555 0.880 -0.580 416 1HD1 LEU 49 1HD1 LEU 49 2.678 2.151 -2.604 417 2HD1 LEU 49 3HD1 LEU 49 4.080 2.942 -1.885 418 3HD1 LEU 49 2HD1 LEU 49 4.302 1.547 -2.941 419 1HD2 LEU 49 1HD2 LEU 49 1.666 1.619 -0.141 420 2HD2 LEU 49 3HD2 LEU 49 2.906 1.268 1.062 421 3HD2 LEU 49 2HD2 LEU 49 2.957 2.782 0.159 422 H PHE 50 H PHE 50 5.068 -0.127 -4.574 423 HA PHE 50 HA PHE 50 7.535 -0.948 -3.228 424 1HB PHE 50 2HB PHE 50 6.724 0.110 -5.912 425 2HB PHE 50 1HB PHE 50 8.428 0.222 -5.440 426 HD1 PHE 50 HD1 PHE 50 9.602 -1.863 -4.658 427 HD2 PHE 50 HD2 PHE 50 5.779 -1.973 -6.597 428 HE1 PHE 50 HE1 PHE 50 9.939 -4.266 -5.172 429 HE2 PHE 50 HE2 PHE 50 6.118 -4.370 -7.132 430 HZ PHE 50 HZ PHE 50 8.198 -5.516 -6.423 431 H VAL 51 H VAL 51 9.407 0.940 -3.646 432 HA VAL 51 HA VAL 51 8.286 3.560 -2.819 433 HB VAL 51 HB VAL 51 10.075 3.649 -0.985 434 1HG1 VAL 51 2HG1 VAL 51 7.432 2.665 -1.009 435 2HG1 VAL 51 1HG1 VAL 51 8.346 1.553 0.010 436 3HG1 VAL 51 3HG1 VAL 51 8.325 3.277 0.383 437 1HG2 VAL 51 1HG2 VAL 51 10.568 1.040 -2.101 438 2HG2 VAL 51 3HG2 VAL 51 11.467 1.885 -0.841 439 3HG2 VAL 51 2HG2 VAL 51 10.089 0.870 -0.413 440 H ASP 52 H ASP 52 10.431 5.041 -2.359 441 HA ASP 52 HA ASP 52 12.177 4.610 -4.744 442 1HB ASP 52 2HB ASP 52 11.959 6.816 -5.372 443 2HB ASP 52 1HB ASP 52 10.399 6.603 -4.587 444 H LYS 53 H LYS 53 13.828 6.891 -4.053 445 HA LYS 53 HA LYS 53 15.783 5.642 -2.405 446 1HB LYS 53 2HB LYS 53 15.531 8.599 -2.890 447 2HB LYS 53 1HB LYS 53 17.008 7.637 -2.767 448 1HG LYS 53 2HG LYS 53 15.868 6.391 -4.853 449 2HG LYS 53 1HG LYS 53 15.125 7.978 -5.060 450 1HD LYS 53 2HD LYS 53 17.164 8.023 -6.323 451 2HD LYS 53 1HD LYS 53 17.474 8.957 -4.858 452 1HE LYS 53 2HE LYS 53 18.716 7.210 -3.863 453 2HE LYS 53 1HE LYS 53 18.082 6.007 -4.987 454 1HZ LYS 53 1HZ LYS 53 19.225 7.325 -6.776 455 2HZ LYS 53 3HZ LYS 53 20.023 8.171 -5.542 456 3HZ LYS 53 2HZ LYS 53 20.249 6.494 -5.704 457 H LEU 54 H LEU 54 13.733 8.514 -1.761 458 HA LEU 54 HA LEU 54 14.232 8.168 1.150 459 1HB LEU 54 2HB LEU 54 14.283 10.424 -0.282 460 2HB LEU 54 1HB LEU 54 12.553 10.388 0.061 461 HG LEU 54 HG LEU 54 14.611 10.010 2.241 462 1HD1 LEU 54 3HD1 LEU 54 14.284 12.350 0.720 463 2HD1 LEU 54 2HD1 LEU 54 13.365 12.631 2.198 464 3HD1 LEU 54 1HD1 LEU 54 15.076 12.216 2.289 465 1HD2 LEU 54 2HD2 LEU 54 11.679 10.765 2.127 466 2HD2 LEU 54 1HD2 LEU 54 12.393 9.334 2.872 467 3HD2 LEU 54 3HD2 LEU 54 12.653 10.925 3.588 468 H ASP 55 H ASP 55 12.584 6.197 -0.063 469 HA ASP 55 HA ASP 55 10.449 5.229 0.088 470 1HB ASP 55 2HB ASP 55 9.405 6.554 2.386 471 2HB ASP 55 1HB ASP 55 10.107 4.938 2.292 472 H ASN 56 H ASN 56 10.104 6.841 -1.829 473 HA ASN 56 HA ASN 56 7.771 8.559 -1.128 474 1HB ASN 56 2HB ASN 56 9.595 10.031 -1.755 475 2HB ASN 56 1HB ASN 56 9.916 9.071 -3.203 476 1HD2 ASN 56 2HD2 ASN 56 6.925 11.825 -3.234 477 2HD2 ASN 56 1HD2 ASN 56 7.838 11.542 -1.831 478 H ILE 57 H ILE 57 6.243 7.101 -1.620 479 HA ILE 57 HA ILE 57 6.024 5.141 -3.482 480 HB ILE 57 HB ILE 57 3.800 7.159 -3.134 481 1HG1 ILE 57 2HG1 ILE 57 4.907 5.066 -1.247 482 2HG1 ILE 57 1HG1 ILE 57 4.578 6.764 -0.912 483 1HG2 ILE 57 2HG2 ILE 57 3.951 4.181 -3.677 484 2HG2 ILE 57 1HG2 ILE 57 2.460 4.996 -3.210 485 3HG2 ILE 57 3HG2 ILE 57 3.266 5.430 -4.716 486 1HD1 ILE 57 2HD1 ILE 57 2.411 4.776 -1.624 487 2HD1 ILE 57 1HD1 ILE 57 2.889 5.141 0.033 488 3HD1 ILE 57 3HD1 ILE 57 2.209 6.408 -0.984 489 H ALA 58 H ALA 58 7.273 5.590 -5.333 490 HA ALA 58 HA ALA 58 6.433 7.785 -7.124 491 1HB ALA 58 2HB ALA 58 8.867 6.691 -6.693 492 2HB ALA 58 1HB ALA 58 8.345 5.697 -8.052 493 3HB ALA 58 3HB ALA 58 8.427 7.451 -8.223 494 H GLN 59 H GLN 59 5.869 4.406 -6.638 495 HA GLN 59 HA GLN 59 4.486 4.243 -9.287 496 1HB GLN 59 2HB GLN 59 6.352 2.560 -8.699 497 2HB GLN 59 1HB GLN 59 5.209 1.888 -7.536 498 1HG GLN 59 2HG GLN 59 3.690 2.157 -9.848 499 2HG GLN 59 1HG GLN 59 5.260 1.621 -10.447 500 1HE2 GLN 59 2HE2 GLN 59 3.430 -0.847 -7.702 501 2HE2 GLN 59 1HE2 GLN 59 3.309 0.834 -7.504 502 H VAL 60 H VAL 60 2.266 3.969 -9.244 503 HA VAL 60 HA VAL 60 0.995 4.027 -6.588 504 HB VAL 60 HB VAL 60 -0.183 4.228 -9.368 505 1HG1 VAL 60 3HG1 VAL 60 -1.564 3.336 -7.251 506 2HG1 VAL 60 2HG1 VAL 60 -1.633 5.060 -6.891 507 3HG1 VAL 60 1HG1 VAL 60 -2.280 4.455 -8.415 508 1HG2 VAL 60 2HG2 VAL 60 1.249 6.131 -8.688 509 2HG2 VAL 60 1HG2 VAL 60 -0.447 6.608 -8.768 510 3HG2 VAL 60 3HG2 VAL 60 0.311 6.303 -7.205 511 HA PRO 61 HA PRO 61 0.082 -0.331 -6.901 512 1HB PRO 61 2HB PRO 61 -1.053 -0.501 -4.413 513 2HB PRO 61 1HB PRO 61 0.699 -0.471 -4.673 514 1HG PRO 61 2HG PRO 61 -1.072 1.661 -3.598 515 2HG PRO 61 1HG PRO 61 0.669 1.428 -3.366 516 1HD PRO 61 2HD PRO 61 -0.576 3.279 -5.144 517 2HD PRO 61 1HD PRO 61 1.154 2.890 -5.055 518 H ARG 62 H ARG 62 -2.006 -1.620 -6.750 519 HA ARG 62 HA ARG 62 -4.485 -0.017 -6.613 520 1HB ARG 62 2HB ARG 62 -3.251 -0.850 -9.090 521 2HB ARG 62 1HB ARG 62 -4.829 -1.615 -8.901 522 1HG ARG 62 2HG ARG 62 -5.414 0.413 -9.891 523 2HG ARG 62 1HG ARG 62 -5.590 0.791 -8.177 524 1HD ARG 62 2HD ARG 62 -4.141 2.496 -8.520 525 2HD ARG 62 1HD ARG 62 -2.888 1.268 -8.707 526 HE ARG 62 HE ARG 62 -3.967 1.364 -11.220 527 1HH1 ARG 62 1HH2 ARG 62 -4.932 3.925 -11.429 528 2HH1 ARG 62 2HH2 ARG 62 -3.562 4.974 -11.581 529 1HH2 ARG 62 2HH1 ARG 62 -1.307 2.640 -10.358 530 2HH2 ARG 62 1HH1 ARG 62 -1.509 4.245 -10.975 531 H VAL 63 H VAL 63 -6.243 -1.256 -5.943 532 HA VAL 63 HA VAL 63 -5.680 -4.155 -5.464 533 HB VAL 63 HB VAL 63 -6.824 -2.013 -3.793 534 1HG1 VAL 63 2HG1 VAL 63 -8.151 -4.741 -3.815 535 2HG1 VAL 63 1HG1 VAL 63 -8.396 -3.502 -2.582 536 3HG1 VAL 63 3HG1 VAL 63 -8.920 -3.214 -4.243 537 1HG2 VAL 63 2HG2 VAL 63 -5.125 -4.383 -3.600 538 2HG2 VAL 63 1HG2 VAL 63 -5.128 -2.926 -2.608 539 3HG2 VAL 63 3HG2 VAL 63 -6.237 -4.245 -2.240 540 H GLY 64 H GLY 64 -7.723 -1.886 -7.051 541 1HA GLY 64 2HA GLY 64 -10.024 -3.663 -7.316 542 2HA GLY 64 1HA GLY 64 -9.779 -2.149 -8.190 No H/Q in entry = 542 Start of MODEL 14 Raw file had 552 H/Q atoms Start of MODEL 14 1 1H MET 1 1H MET 1 -13.294 6.225 -4.632 2 2H MET 1 3H MET 1 -14.457 4.991 -4.675 3 3H MET 1 2H MET 1 -14.516 6.171 -3.453 4 HA MET 1 HA MET 1 -13.100 5.075 -2.163 5 1HB MET 1 2HB MET 1 -13.285 2.932 -4.302 6 2HB MET 1 1HB MET 1 -12.899 2.687 -2.598 7 1HG MET 1 2HG MET 1 -15.389 4.174 -2.977 8 2HG MET 1 1HG MET 1 -15.442 2.572 -3.714 9 1HE MET 1 1HE MET 1 -15.283 4.774 -0.801 10 2HE MET 1 3HE MET 1 -16.883 4.022 -0.791 11 3HE MET 1 2HE MET 1 -15.780 3.773 0.560 12 H LYS 2 H LYS 2 -10.900 4.872 -1.776 13 HA LYS 2 HA LYS 2 -9.118 5.675 -3.971 14 1HB LYS 2 2HB LYS 2 -8.881 5.362 -1.000 15 2HB LYS 2 1HB LYS 2 -7.409 5.370 -1.971 16 1HG LYS 2 2HG LYS 2 -9.424 7.486 -2.560 17 2HG LYS 2 1HG LYS 2 -8.519 7.637 -1.053 18 1HD LYS 2 2HD LYS 2 -6.633 6.901 -3.020 19 2HD LYS 2 1HD LYS 2 -7.634 8.155 -3.752 20 1HE LYS 2 2HE LYS 2 -5.826 9.257 -2.596 21 2HE LYS 2 1HE LYS 2 -7.295 9.526 -1.659 22 1HZ LYS 2 3HZ LYS 2 -6.390 7.219 -0.630 23 2HZ LYS 2 2HZ LYS 2 -4.931 8.010 -0.990 24 3HZ LYS 2 1HZ LYS 2 -6.071 8.750 0.026 25 H THR 3 H THR 3 -9.630 3.539 -5.107 26 HA THR 3 HA THR 3 -8.293 1.163 -3.958 27 HB THR 3 HB THR 3 -9.156 0.004 -5.934 28 HG1 THR 3 HG1 THR 3 -9.344 2.606 -6.834 29 1HG2 THR 3 1HG2 THR 3 -10.738 1.350 -4.011 30 2HG2 THR 3 3HG2 THR 3 -11.580 1.512 -5.551 31 3HG2 THR 3 2HG2 THR 3 -11.167 -0.089 -4.935 32 H GLU 4 H GLU 4 -7.719 3.683 -6.329 33 HA GLU 4 HA GLU 4 -5.366 2.244 -7.414 34 1HB GLU 4 2HB GLU 4 -6.739 4.850 -8.115 35 2HB GLU 4 1HB GLU 4 -5.172 4.420 -8.793 36 1HG GLU 4 2HG GLU 4 -6.053 2.485 -9.878 37 2HG GLU 4 1HG GLU 4 -7.555 2.564 -8.955 38 H TRP 5 H TRP 5 -6.148 5.054 -5.424 39 HA TRP 5 HA TRP 5 -4.724 6.359 -4.082 40 1HB TRP 5 2HB TRP 5 -2.886 3.975 -4.466 41 2HB TRP 5 1HB TRP 5 -2.697 5.229 -3.238 42 HD1 TRP 5 HD1 TRP 5 -4.995 5.497 -1.597 43 HE1 TRP 5 HE1 TRP 5 -6.320 3.585 -0.487 44 HE3 TRP 5 HE3 TRP 5 -3.614 1.590 -4.610 45 HZ2 TRP 5 HZ2 TRP 5 -6.729 0.772 -0.814 46 HZ3 TRP 5 HZ3 TRP 5 -4.470 -0.685 -4.155 47 HH2 TRP 5 HH2 TRP 5 -6.031 -1.105 -2.284 48 HA PRO 6 HA PRO 6 -1.981 7.033 -7.917 49 1HB PRO 6 2HB PRO 6 -3.531 8.794 -9.352 50 2HB PRO 6 1HB PRO 6 -3.543 7.044 -9.640 51 1HG PRO 6 2HG PRO 6 -5.569 8.733 -8.229 52 2HG PRO 6 1HG PRO 6 -5.799 7.232 -9.143 53 1HD PRO 6 2HD PRO 6 -5.739 7.414 -6.345 54 2HD PRO 6 1HD PRO 6 -5.498 5.934 -7.284 55 H GLU 7 H GLU 7 -4.247 9.004 -6.224 56 HA GLU 7 HA GLU 7 -2.677 11.455 -6.263 57 1HB GLU 7 2HB GLU 7 -5.072 10.443 -4.811 58 2HB GLU 7 1HB GLU 7 -4.150 11.722 -4.022 59 1HG GLU 7 2HG GLU 7 -4.445 12.356 -6.815 60 2HG GLU 7 1HG GLU 7 -6.031 12.001 -6.130 61 H LEU 8 H LEU 8 -2.362 8.436 -4.723 62 HA LEU 8 HA LEU 8 -1.108 9.425 -2.289 63 1HB LEU 8 2HB LEU 8 -2.297 7.209 -2.477 64 2HB LEU 8 1HB LEU 8 -0.974 6.648 -3.499 65 HG LEU 8 HG LEU 8 0.626 7.038 -1.691 66 1HD1 LEU 8 1HD1 LEU 8 -1.823 8.081 -0.250 67 2HD1 LEU 8 3HD1 LEU 8 -0.348 7.610 0.596 68 3HD1 LEU 8 2HD1 LEU 8 -0.312 8.933 -0.570 69 1HD2 LEU 8 2HD2 LEU 8 -1.297 5.043 -1.779 70 2HD2 LEU 8 1HD2 LEU 8 0.139 5.030 -0.755 71 3HD2 LEU 8 3HD2 LEU 8 -1.396 5.612 -0.111 72 H VAL 9 H VAL 9 -0.140 9.219 -5.503 73 HA VAL 9 HA VAL 9 2.520 8.306 -5.345 74 HB VAL 9 HB VAL 9 1.233 10.438 -7.056 75 1HG1 VAL 9 2HG1 VAL 9 3.665 11.000 -6.642 76 2HG1 VAL 9 1HG1 VAL 9 4.084 9.416 -7.302 77 3HG1 VAL 9 3HG1 VAL 9 3.301 10.618 -8.329 78 1HG2 VAL 9 2HG2 VAL 9 1.531 7.591 -7.133 79 2HG2 VAL 9 1HG2 VAL 9 0.715 8.632 -8.298 80 3HG2 VAL 9 3HG2 VAL 9 2.434 8.279 -8.482 81 H GLY 10 H GLY 10 4.501 9.470 -5.069 82 1HA GLY 10 2HA GLY 10 5.892 11.083 -4.099 83 2HA GLY 10 1HA GLY 10 4.531 12.199 -4.183 84 H LYS 11 H LYS 11 3.356 9.549 -2.547 85 HA LYS 11 HA LYS 11 3.845 10.926 0.038 86 1HB LYS 11 2HB LYS 11 1.565 9.765 -1.071 87 2HB LYS 11 1HB LYS 11 2.087 8.600 0.147 88 1HG LYS 11 2HG LYS 11 1.331 9.938 1.791 89 2HG LYS 11 1HG LYS 11 2.347 11.260 1.214 90 1HD LYS 11 2HD LYS 11 0.453 11.438 -0.647 91 2HD LYS 11 1HD LYS 11 -0.524 10.673 0.608 92 1HE LYS 11 2HE LYS 11 1.199 12.977 1.410 93 2HE LYS 11 1HE LYS 11 -0.255 13.329 0.475 94 1HZ LYS 11 2HZ LYS 11 -1.206 11.597 2.261 95 2HZ LYS 11 1HZ LYS 11 0.008 12.342 3.188 96 3HZ LYS 11 3HZ LYS 11 -1.218 13.280 2.486 97 H SER 12 H SER 12 3.279 8.453 1.574 98 HA SER 12 HA SER 12 5.733 6.874 0.983 99 1HB SER 12 2HB SER 12 5.180 8.549 3.373 100 2HB SER 12 1HB SER 12 5.905 6.968 3.667 101 HG SER 12 HG SER 12 7.458 7.589 1.999 102 H VAL 13 H VAL 13 5.827 4.938 2.547 103 HA VAL 13 HA VAL 13 3.589 3.275 2.158 104 HB VAL 13 HB VAL 13 5.725 3.131 4.304 105 1HG1 VAL 13 3HG1 VAL 13 3.339 1.628 3.995 106 2HG1 VAL 13 2HG1 VAL 13 4.663 0.593 3.456 107 3HG1 VAL 13 1HG1 VAL 13 4.690 1.289 5.076 108 1HG2 VAL 13 3HG2 VAL 13 5.514 2.267 1.439 109 2HG2 VAL 13 2HG2 VAL 13 6.890 2.963 2.296 110 3HG2 VAL 13 1HG2 VAL 13 6.450 1.275 2.557 111 H GLU 14 H GLU 14 4.401 5.356 4.923 112 HA GLU 14 HA GLU 14 2.582 4.526 6.839 113 1HB GLU 14 2HB GLU 14 2.215 7.166 7.120 114 2HB GLU 14 1HB GLU 14 3.730 6.387 7.576 115 1HG GLU 14 2HG GLU 14 3.553 7.154 4.729 116 2HG GLU 14 1HG GLU 14 3.556 8.510 5.858 117 H GLU 15 H GLU 15 1.677 7.242 4.712 118 HA GLU 15 HA GLU 15 -1.121 6.964 5.033 119 1HB GLU 15 2HB GLU 15 0.663 8.201 2.978 120 2HB GLU 15 1HB GLU 15 -1.043 7.999 2.573 121 1HG GLU 15 2HG GLU 15 -1.159 10.050 3.617 122 2HG GLU 15 1HG GLU 15 -1.354 9.004 5.024 123 H ALA 16 H ALA 16 1.057 5.397 2.703 124 HA ALA 16 HA ALA 16 -0.941 4.225 1.063 125 1HB ALA 16 1HB ALA 16 1.895 4.003 1.384 126 2HB ALA 16 3HB ALA 16 1.220 2.375 1.326 127 3HB ALA 16 2HB ALA 16 0.911 3.504 0.008 128 H LYS 17 H LYS 17 0.983 2.078 3.155 129 HA LYS 17 HA LYS 17 -0.928 0.070 3.391 130 1HB LYS 17 2HB LYS 17 1.355 -0.164 4.268 131 2HB LYS 17 1HB LYS 17 0.994 1.002 5.542 132 1HG LYS 17 2HG LYS 17 0.356 -0.770 6.793 133 2HG LYS 17 1HG LYS 17 -1.067 -0.855 5.754 134 1HD LYS 17 2HD LYS 17 -0.341 -2.941 5.247 135 2HD LYS 17 1HD LYS 17 0.837 -2.121 4.222 136 1HE LYS 17 2HE LYS 17 2.165 -1.948 6.536 137 2HE LYS 17 1HE LYS 17 1.209 -3.384 6.901 138 1HZ LYS 17 2HZ LYS 17 2.836 -3.054 4.441 139 2HZ LYS 17 1HZ LYS 17 3.378 -3.857 5.837 140 3HZ LYS 17 3HZ LYS 17 2.053 -4.466 4.971 141 H LYS 18 H LYS 18 -0.849 3.147 5.003 142 HA LYS 18 HA LYS 18 -2.685 2.619 7.119 143 1HB LYS 18 2HB LYS 18 -1.693 5.031 5.674 144 2HB LYS 18 1HB LYS 18 -3.162 5.209 6.636 145 1HG LYS 18 2HG LYS 18 -1.909 4.078 8.548 146 2HG LYS 18 1HG LYS 18 -0.442 4.284 7.594 147 1HD LYS 18 2HD LYS 18 -0.299 6.468 8.146 148 2HD LYS 18 1HD LYS 18 -1.984 6.751 7.706 149 1HE LYS 18 2HE LYS 18 -2.747 5.991 9.868 150 2HE LYS 18 1HE LYS 18 -1.126 5.454 10.305 151 1HZ LYS 18 2HZ LYS 18 -1.195 8.198 9.495 152 2HZ LYS 18 1HZ LYS 18 -2.195 7.901 10.837 153 3HZ LYS 18 3HZ LYS 18 -0.549 7.500 10.904 154 H VAL 19 H VAL 19 -3.595 4.845 4.559 155 HA VAL 19 HA VAL 19 -6.377 4.306 4.737 156 HB VAL 19 HB VAL 19 -5.117 5.200 2.151 157 1HG1 VAL 19 2HG1 VAL 19 -7.681 5.469 3.589 158 2HG1 VAL 19 1HG1 VAL 19 -7.103 6.953 2.831 159 3HG1 VAL 19 3HG1 VAL 19 -7.352 5.504 1.856 160 1HG2 VAL 19 2HG2 VAL 19 -5.086 6.628 4.813 161 2HG2 VAL 19 1HG2 VAL 19 -3.771 6.455 3.649 162 3HG2 VAL 19 3HG2 VAL 19 -5.122 7.537 3.302 163 H ILE 20 H ILE 20 -3.930 2.962 2.542 164 HA ILE 20 HA ILE 20 -5.562 1.443 0.852 165 HB ILE 20 HB ILE 20 -2.850 0.806 2.047 166 1HG1 ILE 20 2HG1 ILE 20 -3.601 1.569 -0.785 167 2HG1 ILE 20 1HG1 ILE 20 -3.185 2.767 0.441 168 1HG2 ILE 20 1HG2 ILE 20 -4.680 -0.912 0.585 169 2HG2 ILE 20 3HG2 ILE 20 -3.195 -0.652 -0.330 170 3HG2 ILE 20 2HG2 ILE 20 -3.120 -1.307 1.306 171 1HD1 ILE 20 1HD1 ILE 20 -1.266 0.562 0.329 172 2HD1 ILE 20 3HD1 ILE 20 -1.378 1.441 -1.196 173 3HD1 ILE 20 2HD1 ILE 20 -0.980 2.300 0.290 174 H LEU 21 H LEU 21 -4.138 0.400 3.969 175 HA LEU 21 HA LEU 21 -5.071 -2.120 4.334 176 1HB LEU 21 2HB LEU 21 -3.955 -0.749 6.094 177 2HB LEU 21 1HB LEU 21 -5.496 0.067 6.388 178 HG LEU 21 HG LEU 21 -5.554 -2.904 6.410 179 1HD1 LEU 21 1HD1 LEU 21 -3.437 -1.954 7.689 180 2HD1 LEU 21 3HD1 LEU 21 -4.636 -1.522 8.907 181 3HD1 LEU 21 2HD1 LEU 21 -4.436 -3.207 8.425 182 1HD2 LEU 21 3HD2 LEU 21 -7.492 -1.301 6.856 183 2HD2 LEU 21 2HD2 LEU 21 -7.222 -2.528 8.093 184 3HD2 LEU 21 1HD2 LEU 21 -6.674 -0.873 8.358 185 H GLN 22 H GLN 22 -7.138 0.761 4.385 186 HA GLN 22 HA GLN 22 -9.475 -1.020 4.006 187 1HB GLN 22 2HB GLN 22 -8.866 0.419 6.460 188 2HB GLN 22 1HB GLN 22 -10.414 0.922 5.781 189 1HG GLN 22 2HG GLN 22 -11.361 -1.184 5.993 190 2HG GLN 22 1HG GLN 22 -9.806 -2.013 5.862 191 1HE2 GLN 22 2HE2 GLN 22 -10.689 -2.299 9.425 192 2HE2 GLN 22 1HE2 GLN 22 -11.198 -2.956 7.945 193 H ASP 23 H ASP 23 -8.210 0.720 2.129 194 HA ASP 23 HA ASP 23 -9.371 3.302 1.983 195 1HB ASP 23 2HB ASP 23 -8.318 3.429 -0.035 196 2HB ASP 23 1HB ASP 23 -7.591 1.902 0.449 197 H LYS 24 H LYS 24 -10.534 0.166 0.750 198 HA LYS 24 HA LYS 24 -13.223 1.428 0.581 199 1HB LYS 24 2HB LYS 24 -13.463 -0.649 -1.185 200 2HB LYS 24 1HB LYS 24 -13.119 1.008 -1.630 201 1HG LYS 24 2HG LYS 24 -10.913 0.605 -2.082 202 2HG LYS 24 1HG LYS 24 -10.762 -0.635 -0.851 203 1HD LYS 24 2HD LYS 24 -10.663 -1.288 -3.390 204 2HD LYS 24 1HD LYS 24 -11.556 -2.314 -2.273 205 1HE LYS 24 2HE LYS 24 -13.659 -1.304 -2.924 206 2HE LYS 24 1HE LYS 24 -12.826 -0.091 -3.896 207 1HZ LYS 24 3HZ LYS 24 -11.840 -2.286 -4.976 208 2HZ LYS 24 2HZ LYS 24 -13.338 -2.902 -4.463 209 3HZ LYS 24 1HZ LYS 24 -13.281 -1.573 -5.518 210 HA PRO 25 HA PRO 25 -14.298 -2.614 2.565 211 1HB PRO 25 2HB PRO 25 -13.181 -5.001 1.815 212 2HB PRO 25 1HB PRO 25 -14.538 -4.270 0.941 213 1HG PRO 25 2HG PRO 25 -11.683 -4.465 0.130 214 2HG PRO 25 1HG PRO 25 -13.127 -4.293 -0.877 215 1HD PRO 25 2HD PRO 25 -11.303 -2.225 -0.175 216 2HD PRO 25 1HD PRO 25 -12.868 -2.060 -0.985 217 H GLU 26 H GLU 26 -11.264 -4.242 1.868 218 HA GLU 26 HA GLU 26 -9.833 -3.133 4.149 219 1HB GLU 26 2HB GLU 26 -10.320 -6.106 4.201 220 2HB GLU 26 1HB GLU 26 -9.734 -5.060 5.493 221 1HG GLU 26 2HG GLU 26 -11.949 -3.991 5.644 222 2HG GLU 26 1HG GLU 26 -12.537 -5.014 4.331 223 H ALA 27 H ALA 27 -8.976 -2.877 1.658 224 HA ALA 27 HA ALA 27 -7.407 -5.222 0.849 225 1HB ALA 27 3HB ALA 27 -8.279 -2.714 -0.391 226 2HB ALA 27 2HB ALA 27 -6.602 -3.112 -0.762 227 3HB ALA 27 1HB ALA 27 -7.887 -4.260 -1.148 228 H GLN 28 H GLN 28 -5.462 -5.578 1.782 229 HA GLN 28 HA GLN 28 -4.057 -3.377 3.143 230 1HB GLN 28 2HB GLN 28 -4.339 -5.978 3.801 231 2HB GLN 28 1HB GLN 28 -2.821 -6.071 2.898 232 1HG GLN 28 2HG GLN 28 -1.752 -5.310 4.726 233 2HG GLN 28 1HG GLN 28 -2.610 -3.780 4.537 234 1HE2 GLN 28 2HE2 GLN 28 -4.582 -6.475 6.929 235 2HE2 GLN 28 1HE2 GLN 28 -4.003 -6.974 5.413 236 H ILE 29 H ILE 29 -1.450 -3.794 2.820 237 HA ILE 29 HA ILE 29 -0.886 -4.127 -0.052 238 HB ILE 29 HB ILE 29 -1.447 -1.740 0.193 239 1HG1 ILE 29 2HG1 ILE 29 1.545 -1.977 -0.110 240 2HG1 ILE 29 1HG1 ILE 29 0.451 -2.686 -1.296 241 1HG2 ILE 29 3HG2 ILE 29 -0.713 -1.652 2.622 242 2HG2 ILE 29 2HG2 ILE 29 0.950 -1.590 2.037 243 3HG2 ILE 29 1HG2 ILE 29 -0.178 -0.294 1.631 244 1HD1 ILE 29 1HD1 ILE 29 0.410 0.223 -0.448 245 2HD1 ILE 29 3HD1 ILE 29 1.164 -0.383 -1.923 246 3HD1 ILE 29 2HD1 ILE 29 -0.581 -0.517 -1.707 247 H ILE 30 H ILE 30 1.167 -4.832 -0.439 248 HA ILE 30 HA ILE 30 2.809 -5.614 1.879 249 HB ILE 30 HB ILE 30 2.751 -6.222 -1.061 250 1HG1 ILE 30 2HG1 ILE 30 1.518 -7.523 0.776 251 2HG1 ILE 30 1HG1 ILE 30 2.514 -8.474 -0.326 252 1HG2 ILE 30 1HG2 ILE 30 5.176 -6.069 0.563 253 2HG2 ILE 30 3HG2 ILE 30 4.918 -7.673 -0.121 254 3HG2 ILE 30 2HG2 ILE 30 5.000 -6.266 -1.184 255 1HD1 ILE 30 3HD1 ILE 30 3.991 -7.454 2.002 256 2HD1 ILE 30 2HD1 ILE 30 2.683 -8.560 2.427 257 3HD1 ILE 30 1HD1 ILE 30 3.953 -9.079 1.318 258 H VAL 31 H VAL 31 4.945 -4.790 2.203 259 HA VAL 31 HA VAL 31 5.433 -2.244 0.753 260 HB VAL 31 HB VAL 31 5.346 -2.095 3.214 261 1HG1 VAL 31 2HG1 VAL 31 6.863 -4.521 2.999 262 2HG1 VAL 31 1HG1 VAL 31 7.813 -3.341 3.901 263 3HG1 VAL 31 3HG1 VAL 31 6.194 -3.774 4.450 264 1HG2 VAL 31 1HG2 VAL 31 8.074 -1.723 1.942 265 2HG2 VAL 31 3HG2 VAL 31 6.806 -0.511 2.125 266 3HG2 VAL 31 2HG2 VAL 31 7.663 -1.113 3.545 267 H LEU 32 H LEU 32 7.184 -2.022 -0.575 268 HA LEU 32 HA LEU 32 9.405 -3.974 -0.363 269 1HB LEU 32 2HB LEU 32 9.238 -4.045 -3.004 270 2HB LEU 32 1HB LEU 32 8.303 -5.170 -2.037 271 HG LEU 32 HG LEU 32 7.251 -2.517 -3.029 272 1HD1 LEU 32 2HD1 LEU 32 7.867 -4.254 -4.781 273 2HD1 LEU 32 1HD1 LEU 32 6.663 -5.308 -4.050 274 3HD1 LEU 32 3HD1 LEU 32 6.167 -3.782 -4.775 275 1HD2 LEU 32 2HD2 LEU 32 6.234 -4.660 -1.269 276 2HD2 LEU 32 1HD2 LEU 32 5.657 -3.004 -1.461 277 3HD2 LEU 32 3HD2 LEU 32 5.136 -4.256 -2.589 278 HA PRO 33 HA PRO 33 11.616 -0.359 -1.304 279 1HB PRO 33 2HB PRO 33 14.024 -1.517 -1.951 280 2HB PRO 33 1HB PRO 33 13.414 -1.374 -0.293 281 1HG PRO 33 2HG PRO 33 13.561 -3.787 -2.031 282 2HG PRO 33 1HG PRO 33 13.543 -3.676 -0.263 283 1HD PRO 33 2HD PRO 33 11.340 -4.360 -1.926 284 2HD PRO 33 1HD PRO 33 11.274 -3.982 -0.192 285 H VAL 34 H VAL 34 10.181 -1.855 -3.648 286 HA VAL 34 HA VAL 34 9.980 -1.297 -5.925 287 HB VAL 34 HB VAL 34 11.455 0.798 -4.914 288 1HG1 VAL 34 1HG1 VAL 34 13.500 -0.607 -5.814 289 2HG1 VAL 34 3HG1 VAL 34 12.988 0.027 -7.376 290 3HG1 VAL 34 2HG1 VAL 34 13.441 1.135 -6.082 291 1HG2 VAL 34 1HG2 VAL 34 10.480 0.185 -7.705 292 2HG2 VAL 34 3HG2 VAL 34 9.680 1.141 -6.457 293 3HG2 VAL 34 2HG2 VAL 34 11.122 1.765 -7.259 294 H GLY 35 H GLY 35 12.470 -2.999 -4.462 295 1HA GLY 35 2HA GLY 35 13.365 -4.069 -7.111 296 2HA GLY 35 1HA GLY 35 14.441 -3.961 -5.716 297 H THR 36 H THR 36 12.349 -4.796 -3.819 298 HA THR 36 HA THR 36 12.759 -7.647 -3.992 299 HB THR 36 HB THR 36 10.672 -6.304 -2.271 300 HG1 THR 36 HG1 THR 36 12.362 -5.888 -0.817 301 1HG2 THR 36 2HG2 THR 36 10.861 -8.789 -2.285 302 2HG2 THR 36 1HG2 THR 36 12.546 -8.636 -1.788 303 3HG2 THR 36 3HG2 THR 36 11.256 -8.091 -0.716 304 H ILE 37 H ILE 37 11.826 -8.414 -5.925 305 HA ILE 37 HA ILE 37 8.925 -8.820 -5.823 306 HB ILE 37 HB ILE 37 8.946 -8.007 -8.379 307 1HG1 ILE 37 2HG1 ILE 37 10.515 -5.742 -7.329 308 2HG1 ILE 37 1HG1 ILE 37 11.461 -7.204 -7.600 309 1HG2 ILE 37 3HG2 ILE 37 7.426 -7.248 -6.559 310 2HG2 ILE 37 2HG2 ILE 37 8.671 -6.121 -6.020 311 3HG2 ILE 37 1HG2 ILE 37 7.928 -5.920 -7.605 312 1HD1 ILE 37 3HD1 ILE 37 10.217 -7.292 -9.893 313 2HD1 ILE 37 2HD1 ILE 37 9.877 -5.589 -9.584 314 3HD1 ILE 37 1HD1 ILE 37 11.546 -6.148 -9.694 315 H VAL 38 H VAL 38 11.563 -10.323 -5.928 316 HA VAL 38 HA VAL 38 10.827 -12.078 -8.238 317 HB VAL 38 HB VAL 38 13.608 -11.399 -7.235 318 1HG1 VAL 38 3HG1 VAL 38 13.318 -13.788 -7.919 319 2HG1 VAL 38 2HG1 VAL 38 12.764 -13.232 -9.499 320 3HG1 VAL 38 1HG1 VAL 38 14.414 -12.898 -8.976 321 1HG2 VAL 38 1HG2 VAL 38 12.556 -9.661 -8.655 322 2HG2 VAL 38 3HG2 VAL 38 13.896 -10.448 -9.490 323 3HG2 VAL 38 2HG2 VAL 38 12.233 -10.877 -9.891 324 H THR 39 H THR 39 9.988 -13.892 -7.326 325 HA THR 39 HA THR 39 11.530 -15.159 -5.113 326 HB THR 39 HB THR 39 9.161 -15.859 -4.246 327 HG1 THR 39 HG1 THR 39 7.551 -14.816 -5.084 328 1HG2 THR 39 3HG2 THR 39 10.275 -13.059 -3.947 329 2HG2 THR 39 2HG2 THR 39 9.066 -13.772 -2.877 330 3HG2 THR 39 1HG2 THR 39 10.686 -14.465 -2.964 331 1H GLU 41 1H GLU 41 -14.652 -10.331 -10.140 332 2H GLU 41 3H GLU 41 -13.716 -11.013 -11.379 333 3H GLU 41 2H GLU 41 -14.287 -11.990 -10.111 334 HA GLU 41 HA GLU 41 -12.079 -11.648 -9.542 335 1HB GLU 41 2HB GLU 41 -12.506 -8.733 -10.270 336 2HB GLU 41 1HB GLU 41 -10.990 -9.456 -9.731 337 1HG GLU 41 2HG GLU 41 -11.702 -11.112 -11.809 338 2HG GLU 41 1HG GLU 41 -12.270 -9.545 -12.382 339 H TYR 42 H TYR 42 -11.239 -10.704 -7.484 340 HA TYR 42 HA TYR 42 -13.483 -9.721 -5.769 341 1HB TYR 42 2HB TYR 42 -12.323 -10.907 -3.895 342 2HB TYR 42 1HB TYR 42 -12.858 -11.999 -5.169 343 HD1 TYR 42 HD1 TYR 42 -11.213 -12.786 -6.907 344 HD2 TYR 42 HD2 TYR 42 -10.000 -10.673 -3.369 345 HE1 TYR 42 HE1 TYR 42 -8.891 -13.570 -7.236 346 HE2 TYR 42 HE2 TYR 42 -7.677 -11.460 -3.697 347 HH TYR 42 HH TYR 42 -6.428 -12.451 -6.344 348 H ARG 43 H ARG 43 -11.669 -9.268 -3.509 349 HA ARG 43 HA ARG 43 -10.114 -6.945 -4.582 350 1HB ARG 43 2HB ARG 43 -10.718 -5.694 -2.589 351 2HB ARG 43 1HB ARG 43 -12.196 -6.299 -3.337 352 1HG ARG 43 2HG ARG 43 -11.468 -8.372 -1.652 353 2HG ARG 43 1HG ARG 43 -11.038 -6.938 -0.718 354 1HD ARG 43 2HD ARG 43 -13.230 -6.842 -0.153 355 2HD ARG 43 1HD ARG 43 -13.501 -6.266 -1.798 356 HE ARG 43 HE ARG 43 -13.549 -8.974 -2.143 357 1HH1 ARG 43 1HH2 ARG 43 -14.297 -8.421 0.933 358 2HH1 ARG 43 2HH2 ARG 43 -16.001 -8.717 0.832 359 1HH2 ARG 43 2HH1 ARG 43 -16.068 -8.689 -2.637 360 2HH2 ARG 43 1HH1 ARG 43 -17.004 -8.871 -1.189 361 H ILE 44 H ILE 44 -8.288 -8.592 -4.586 362 HA ILE 44 HA ILE 44 -7.340 -9.932 -2.321 363 HB ILE 44 HB ILE 44 -6.124 -10.195 -4.386 364 1HG1 ILE 44 2HG1 ILE 44 -3.942 -8.750 -3.139 365 2HG1 ILE 44 1HG1 ILE 44 -4.915 -9.563 -1.908 366 1HG2 ILE 44 3HG2 ILE 44 -5.588 -7.219 -4.140 367 2HG2 ILE 44 2HG2 ILE 44 -4.800 -8.272 -5.314 368 3HG2 ILE 44 1HG2 ILE 44 -6.544 -8.017 -5.388 369 1HD1 ILE 44 1HD1 ILE 44 -4.727 -11.682 -3.180 370 2HD1 ILE 44 3HD1 ILE 44 -3.735 -10.864 -4.388 371 3HD1 ILE 44 2HD1 ILE 44 -3.138 -11.057 -2.740 372 H ASP 45 H ASP 45 -6.299 -9.292 -0.454 373 HA ASP 45 HA ASP 45 -6.327 -6.380 0.047 374 1HB ASP 45 2HB ASP 45 -6.622 -6.889 2.306 375 2HB ASP 45 1HB ASP 45 -7.404 -8.263 1.528 376 H ARG 46 H ARG 46 -4.310 -7.151 -1.645 377 HA ARG 46 HA ARG 46 -1.931 -6.469 -0.035 378 1HB ARG 46 2HB ARG 46 -1.671 -8.813 0.059 379 2HB ARG 46 1HB ARG 46 -2.301 -9.042 -1.570 380 1HG ARG 46 2HG ARG 46 -0.259 -7.823 -2.433 381 2HG ARG 46 1HG ARG 46 0.386 -7.882 -0.793 382 1HD ARG 46 2HD ARG 46 1.283 -9.849 -1.588 383 2HD ARG 46 1HD ARG 46 -0.280 -10.464 -1.051 384 HE ARG 46 HE ARG 46 -0.699 -9.646 -3.685 385 1HH1 ARG 46 2HH1 ARG 46 0.043 -12.387 -1.987 386 2HH1 ARG 46 1HH1 ARG 46 0.802 -13.234 -3.294 387 1HH2 ARG 46 1HH2 ARG 46 0.872 -10.472 -5.390 388 2HH2 ARG 46 2HH2 ARG 46 1.273 -12.148 -5.220 389 H VAL 47 H VAL 47 -0.412 -5.302 -1.303 390 HA VAL 47 HA VAL 47 -0.722 -5.204 -4.236 391 HB VAL 47 HB VAL 47 -1.216 -2.808 -2.457 392 1HG1 VAL 47 3HG1 VAL 47 -0.400 -3.061 -5.344 393 2HG1 VAL 47 2HG1 VAL 47 -1.416 -1.721 -4.826 394 3HG1 VAL 47 1HG1 VAL 47 0.186 -1.934 -4.124 395 1HG2 VAL 47 1HG2 VAL 47 -3.106 -4.392 -3.084 396 2HG2 VAL 47 3HG2 VAL 47 -3.333 -2.717 -3.581 397 3HG2 VAL 47 2HG2 VAL 47 -2.830 -3.927 -4.763 398 H ARG 48 H ARG 48 1.177 -4.466 -5.286 399 HA ARG 48 HA ARG 48 3.610 -4.656 -3.725 400 1HB ARG 48 2HB ARG 48 3.073 -3.862 -6.589 401 2HB ARG 48 1HB ARG 48 4.697 -3.942 -5.909 402 1HG ARG 48 2HG ARG 48 2.724 -6.248 -5.912 403 2HG ARG 48 1HG ARG 48 4.017 -6.047 -7.092 404 1HD ARG 48 2HD ARG 48 5.692 -6.497 -5.536 405 2HD ARG 48 1HD ARG 48 4.701 -6.008 -4.162 406 HE ARG 48 HE ARG 48 3.336 -8.170 -4.850 407 1HH1 ARG 48 2HH1 ARG 48 6.403 -7.781 -3.634 408 2HH1 ARG 48 1HH1 ARG 48 6.960 -9.378 -4.003 409 1HH2 ARG 48 1HH2 ARG 48 4.187 -10.189 -5.921 410 2HH2 ARG 48 2HH2 ARG 48 5.706 -10.742 -5.298 411 H LEU 49 H LEU 49 3.786 -2.984 -2.214 412 HA LEU 49 HA LEU 49 3.387 -0.203 -3.096 413 1HB LEU 49 2HB LEU 49 2.717 -0.730 -0.816 414 2HB LEU 49 1HB LEU 49 4.322 -1.356 -0.452 415 HG LEU 49 HG LEU 49 5.302 0.766 -0.445 416 1HD1 LEU 49 2HD1 LEU 49 2.901 1.680 -2.057 417 2HD1 LEU 49 1HD1 LEU 49 4.114 2.783 -1.410 418 3HD1 LEU 49 3HD1 LEU 49 4.574 1.570 -2.606 419 1HD2 LEU 49 2HD2 LEU 49 2.576 0.671 0.725 420 2HD2 LEU 49 1HD2 LEU 49 4.123 1.011 1.501 421 3HD2 LEU 49 3HD2 LEU 49 3.296 2.275 0.591 422 H PHE 50 H PHE 50 5.010 -0.031 -4.686 423 HA PHE 50 HA PHE 50 7.786 -0.655 -4.204 424 1HB PHE 50 2HB PHE 50 6.154 0.682 -6.283 425 2HB PHE 50 1HB PHE 50 7.840 1.211 -6.193 426 HD1 PHE 50 HD2 PHE 50 6.547 -2.127 -5.293 427 HD2 PHE 50 HD1 PHE 50 8.675 0.186 -8.205 428 HE1 PHE 50 HE2 PHE 50 7.203 -4.216 -6.459 429 HE2 PHE 50 HE1 PHE 50 9.333 -1.894 -9.382 430 HZ PHE 50 HZ PHE 50 8.599 -4.098 -8.510 431 H VAL 51 H VAL 51 9.397 1.366 -4.546 432 HA VAL 51 HA VAL 51 8.453 3.676 -2.932 433 HB VAL 51 HB VAL 51 10.700 3.575 -1.702 434 1HG1 VAL 51 3HG1 VAL 51 8.477 2.942 -0.713 435 2HG1 VAL 51 2HG1 VAL 51 8.779 1.278 -1.212 436 3HG1 VAL 51 1HG1 VAL 51 9.831 2.047 -0.023 437 1HG2 VAL 51 1HG2 VAL 51 11.583 1.850 -3.382 438 2HG2 VAL 51 3HG2 VAL 51 11.883 1.502 -1.680 439 3HG2 VAL 51 2HG2 VAL 51 10.584 0.670 -2.534 440 H ASP 52 H ASP 52 10.641 5.229 -2.834 441 HA ASP 52 HA ASP 52 11.788 5.209 -5.576 442 1HB ASP 52 2HB ASP 52 10.986 7.268 -6.166 443 2HB ASP 52 1HB ASP 52 9.712 6.848 -5.030 444 H LYS 53 H LYS 53 13.121 7.705 -5.254 445 HA LYS 53 HA LYS 53 15.594 7.069 -4.262 446 1HB LYS 53 2HB LYS 53 14.259 9.753 -3.946 447 2HB LYS 53 1HB LYS 53 15.984 9.451 -4.157 448 1HG LYS 53 2HG LYS 53 15.332 8.357 -6.396 449 2HG LYS 53 1HG LYS 53 13.748 9.105 -6.167 450 1HD LYS 53 2HD LYS 53 15.037 10.635 -7.491 451 2HD LYS 53 1HD LYS 53 14.959 11.316 -5.865 452 1HE LYS 53 2HE LYS 53 17.185 10.093 -5.437 453 2HE LYS 53 1HE LYS 53 17.274 9.902 -7.188 454 1HZ LYS 53 1HZ LYS 53 16.585 12.535 -6.742 455 2HZ LYS 53 3HZ LYS 53 17.806 12.197 -5.615 456 3HZ LYS 53 2HZ LYS 53 18.088 11.944 -7.270 457 H LEU 54 H LEU 54 13.429 9.198 -2.371 458 HA LEU 54 HA LEU 54 14.723 8.192 0.102 459 1HB LEU 54 2HB LEU 54 13.675 10.723 -0.767 460 2HB LEU 54 1HB LEU 54 12.821 10.214 0.690 461 HG LEU 54 HG LEU 54 14.931 11.530 1.131 462 1HD1 LEU 54 2HD1 LEU 54 13.982 9.114 2.323 463 2HD1 LEU 54 1HD1 LEU 54 15.745 9.093 2.391 464 3HD1 LEU 54 3HD1 LEU 54 14.851 10.440 3.098 465 1HD2 LEU 54 1HD2 LEU 54 16.068 10.190 -0.852 466 2HD2 LEU 54 3HD2 LEU 54 17.027 10.707 0.535 467 3HD2 LEU 54 2HD2 LEU 54 16.457 9.042 0.429 468 H ASP 55 H ASP 55 13.140 6.239 -0.865 469 HA ASP 55 HA ASP 55 11.218 4.939 -0.456 470 1HB ASP 55 2HB ASP 55 10.503 5.666 2.161 471 2HB ASP 55 1HB ASP 55 11.557 4.332 1.690 472 H ASN 56 H ASN 56 10.385 6.879 -1.949 473 HA ASN 56 HA ASN 56 7.963 7.995 -0.592 474 1HB ASN 56 2HB ASN 56 9.483 9.815 -1.195 475 2HB ASN 56 1HB ASN 56 9.594 9.201 -2.844 476 1HD2 ASN 56 2HD2 ASN 56 6.977 11.898 -2.728 477 2HD2 ASN 56 1HD2 ASN 56 8.626 11.843 -2.330 478 H ILE 57 H ILE 57 6.281 6.868 -1.245 479 HA ILE 57 HA ILE 57 5.947 4.973 -3.138 480 HB ILE 57 HB ILE 57 3.915 7.159 -2.637 481 1HG1 ILE 57 2HG1 ILE 57 4.554 4.588 -1.160 482 2HG1 ILE 57 1HG1 ILE 57 4.684 6.229 -0.530 483 1HG2 ILE 57 1HG2 ILE 57 3.897 4.573 -4.073 484 2HG2 ILE 57 3HG2 ILE 57 2.551 4.814 -2.961 485 3HG2 ILE 57 2HG2 ILE 57 2.838 5.970 -4.259 486 1HD1 ILE 57 3HD1 ILE 57 2.037 5.846 -1.568 487 2HD1 ILE 57 2HD1 ILE 57 2.414 4.524 -0.466 488 3HD1 ILE 57 1HD1 ILE 57 2.526 6.194 0.090 489 H ALA 58 H ALA 58 7.262 5.382 -4.967 490 HA ALA 58 HA ALA 58 6.536 7.627 -6.748 491 1HB ALA 58 1HB ALA 58 8.762 5.679 -6.539 492 2HB ALA 58 3HB ALA 58 8.304 6.128 -8.182 493 3HB ALA 58 2HB ALA 58 8.794 7.372 -7.033 494 H GLN 59 H GLN 59 5.846 4.278 -6.282 495 HA GLN 59 HA GLN 59 4.543 4.138 -8.970 496 1HB GLN 59 2HB GLN 59 6.199 2.297 -7.577 497 2HB GLN 59 1HB GLN 59 4.575 1.611 -7.593 498 1HG GLN 59 2HG GLN 59 4.691 2.461 -10.141 499 2HG GLN 59 1HG GLN 59 6.412 2.193 -9.864 500 1HE2 GLN 59 2HE2 GLN 59 4.336 -0.982 -10.803 501 2HE2 GLN 59 1HE2 GLN 59 4.058 0.614 -11.309 502 H VAL 60 H VAL 60 2.315 3.830 -9.036 503 HA VAL 60 HA VAL 60 0.903 4.150 -6.472 504 HB VAL 60 HB VAL 60 -0.031 4.173 -9.346 505 1HG1 VAL 60 1HG1 VAL 60 -1.545 3.570 -7.044 506 2HG1 VAL 60 3HG1 VAL 60 -1.898 5.255 -7.419 507 3HG1 VAL 60 2HG1 VAL 60 -2.163 4.009 -8.637 508 1HG2 VAL 60 1HG2 VAL 60 1.344 6.093 -8.212 509 2HG2 VAL 60 3HG2 VAL 60 -0.108 6.504 -9.125 510 3HG2 VAL 60 2HG2 VAL 60 -0.164 6.430 -7.363 511 HA PRO 61 HA PRO 61 -0.151 -0.201 -6.431 512 1HB PRO 61 2HB PRO 61 -1.453 -0.099 -4.015 513 2HB PRO 61 1HB PRO 61 0.312 -0.131 -4.157 514 1HG PRO 61 2HG PRO 61 -1.464 2.140 -3.428 515 2HG PRO 61 1HG PRO 61 0.247 1.887 -3.045 516 1HD PRO 61 2HD PRO 61 -0.810 3.583 -5.083 517 2HD PRO 61 1HD PRO 61 0.899 3.165 -4.828 518 H ARG 62 H ARG 62 -2.346 -1.394 -6.364 519 HA ARG 62 HA ARG 62 -4.635 0.459 -6.722 520 1HB ARG 62 2HB ARG 62 -3.364 -1.119 -8.787 521 2HB ARG 62 1HB ARG 62 -5.072 -1.520 -8.622 522 1HG ARG 62 2HG ARG 62 -4.885 0.310 -10.198 523 2HG ARG 62 1HG ARG 62 -5.586 0.942 -8.708 524 1HD ARG 62 2HD ARG 62 -3.857 2.379 -8.457 525 2HD ARG 62 1HD ARG 62 -2.706 1.049 -8.554 526 HE ARG 62 HE ARG 62 -3.808 2.319 -11.022 527 1HH1 ARG 62 1HH2 ARG 62 -1.809 -0.106 -10.648 528 2HH1 ARG 62 2HH2 ARG 62 -0.342 0.672 -11.138 529 1HH2 ARG 62 2HH1 ARG 62 -1.668 3.871 -10.973 530 2HH2 ARG 62 1HH1 ARG 62 -0.261 2.923 -11.319 531 H VAL 63 H VAL 63 -3.646 -2.910 -6.424 532 HA VAL 63 HA VAL 63 -4.574 -4.590 -5.048 533 HB VAL 63 HB VAL 63 -5.502 -2.186 -3.896 534 1HG1 VAL 63 1HG1 VAL 63 -7.756 -4.196 -4.161 535 2HG1 VAL 63 3HG1 VAL 63 -7.763 -2.790 -3.096 536 3HG1 VAL 63 2HG1 VAL 63 -7.736 -2.572 -4.847 537 1HG2 VAL 63 2HG2 VAL 63 -4.895 -4.919 -3.161 538 2HG2 VAL 63 1HG2 VAL 63 -4.694 -3.441 -2.221 539 3HG2 VAL 63 3HG2 VAL 63 -6.236 -4.295 -2.203 540 H GLY 64 H GLY 64 -6.005 -3.066 -7.652 541 1HA GLY 64 2HA GLY 64 -7.291 -4.249 -9.307 542 2HA GLY 64 1HA GLY 64 -7.810 -5.382 -8.057 No H/Q in entry = 542 Start of MODEL 15 Raw file had 552 H/Q atoms Start of MODEL 15 1 1H MET 1 2H MET 1 -13.574 5.065 -3.906 2 2H MET 1 1H MET 1 -15.007 4.235 -4.291 3 3H MET 1 3H MET 1 -14.297 4.034 -2.765 4 HA MET 1 HA MET 1 -13.306 2.235 -3.579 5 1HB MET 1 2HB MET 1 -13.288 1.779 -6.042 6 2HB MET 1 1HB MET 1 -14.900 2.132 -5.417 7 1HG MET 1 2HG MET 1 -14.018 4.643 -6.042 8 2HG MET 1 1HG MET 1 -13.229 3.684 -7.294 9 1HE MET 1 1HE MET 1 -15.904 5.186 -5.720 10 2HE MET 1 3HE MET 1 -17.059 5.451 -7.034 11 3HE MET 1 2HE MET 1 -17.313 4.141 -5.883 12 H LYS 2 H LYS 2 -11.488 3.646 -2.610 13 HA LYS 2 HA LYS 2 -9.643 4.823 -4.573 14 1HB LYS 2 2HB LYS 2 -9.982 4.867 -1.675 15 2HB LYS 2 1HB LYS 2 -8.297 4.623 -2.137 16 1HG LYS 2 2HG LYS 2 -10.054 6.804 -3.295 17 2HG LYS 2 1HG LYS 2 -8.962 7.047 -1.932 18 1HD LYS 2 2HD LYS 2 -7.071 6.899 -3.237 19 2HD LYS 2 1HD LYS 2 -7.818 5.773 -4.372 20 1HE LYS 2 2HE LYS 2 -7.880 7.620 -5.723 21 2HE LYS 2 1HE LYS 2 -9.355 7.956 -4.818 22 1HZ LYS 2 2HZ LYS 2 -7.137 8.876 -3.354 23 2HZ LYS 2 1HZ LYS 2 -7.040 9.493 -4.934 24 3HZ LYS 2 3HZ LYS 2 -8.428 9.773 -4.000 25 H THR 3 H THR 3 -9.677 2.467 -5.579 26 HA THR 3 HA THR 3 -7.809 0.632 -4.206 27 HB THR 3 HB THR 3 -8.590 -1.005 -5.615 28 HG1 THR 3 HG1 THR 3 -8.075 -0.635 -7.604 29 1HG2 THR 3 2HG2 THR 3 -10.563 0.631 -4.771 30 2HG2 THR 3 1HG2 THR 3 -10.810 0.750 -6.513 31 3HG2 THR 3 3HG2 THR 3 -10.868 -0.824 -5.720 32 H GLU 4 H GLU 4 -7.692 3.215 -6.413 33 HA GLU 4 HA GLU 4 -5.245 2.246 -7.762 34 1HB GLU 4 2HB GLU 4 -7.065 4.620 -8.073 35 2HB GLU 4 1HB GLU 4 -5.434 4.691 -8.737 36 1HG GLU 4 2HG GLU 4 -6.302 2.198 -9.568 37 2HG GLU 4 1HG GLU 4 -7.773 3.165 -9.673 38 H TRP 5 H TRP 5 -6.238 4.955 -5.680 39 HA TRP 5 HA TRP 5 -4.943 6.292 -4.249 40 1HB TRP 5 2HB TRP 5 -2.954 4.028 -4.600 41 2HB TRP 5 1HB TRP 5 -2.808 5.333 -3.427 42 HD1 TRP 5 HD1 TRP 5 -4.926 5.519 -1.635 43 HE1 TRP 5 HE1 TRP 5 -6.187 3.597 -0.471 44 HE3 TRP 5 HE3 TRP 5 -3.777 1.661 -4.800 45 HZ2 TRP 5 HZ2 TRP 5 -6.636 0.799 -0.820 46 HZ3 TRP 5 HZ3 TRP 5 -4.625 -0.619 -4.336 47 HH2 TRP 5 HH2 TRP 5 -6.053 -1.051 -2.354 48 HA PRO 6 HA PRO 6 -2.350 7.257 -8.093 49 1HB PRO 6 2HB PRO 6 -4.032 9.075 -9.303 50 2HB PRO 6 1HB PRO 6 -4.009 7.351 -9.719 51 1HG PRO 6 2HG PRO 6 -5.995 8.862 -8.067 52 2HG PRO 6 1HG PRO 6 -6.238 7.428 -9.081 53 1HD PRO 6 2HD PRO 6 -6.021 7.388 -6.288 54 2HD PRO 6 1HD PRO 6 -5.770 5.993 -7.353 55 H GLU 7 H GLU 7 -4.480 8.974 -6.018 56 HA GLU 7 HA GLU 7 -3.043 11.509 -6.006 57 1HB GLU 7 2HB GLU 7 -5.362 10.371 -4.700 58 2HB GLU 7 1HB GLU 7 -4.316 11.148 -3.509 59 1HG GLU 7 2HG GLU 7 -4.233 13.037 -5.418 60 2HG GLU 7 1HG GLU 7 -5.817 12.350 -5.788 61 H LEU 8 H LEU 8 -2.504 8.394 -4.721 62 HA LEU 8 HA LEU 8 -0.909 9.235 -2.433 63 1HB LEU 8 2HB LEU 8 -2.175 7.056 -2.570 64 2HB LEU 8 1HB LEU 8 -1.023 6.529 -3.796 65 HG LEU 8 HG LEU 8 0.788 7.139 -2.027 66 1HD1 LEU 8 2HD1 LEU 8 -1.756 7.040 -0.399 67 2HD1 LEU 8 1HD1 LEU 8 -0.181 6.691 0.315 68 3HD1 LEU 8 3HD1 LEU 8 -0.498 8.279 -0.385 69 1HD2 LEU 8 1HD2 LEU 8 -0.689 4.794 -2.626 70 2HD2 LEU 8 3HD2 LEU 8 0.927 4.891 -1.926 71 3HD2 LEU 8 2HD2 LEU 8 -0.489 4.826 -0.876 72 H VAL 9 H VAL 9 -0.405 9.241 -5.743 73 HA VAL 9 HA VAL 9 2.176 8.225 -6.100 74 HB VAL 9 HB VAL 9 0.844 10.655 -7.308 75 1HG1 VAL 9 3HG1 VAL 9 3.368 10.897 -7.263 76 2HG1 VAL 9 2HG1 VAL 9 3.461 9.398 -8.195 77 3HG1 VAL 9 1HG1 VAL 9 2.677 10.818 -8.888 78 1HG2 VAL 9 3HG2 VAL 9 0.053 8.285 -7.807 79 2HG2 VAL 9 2HG2 VAL 9 0.533 9.230 -9.214 80 3HG2 VAL 9 1HG2 VAL 9 1.624 8.010 -8.559 81 H GLY 10 H GLY 10 4.259 9.189 -5.963 82 1HA GLY 10 2HA GLY 10 5.908 10.322 -4.739 83 2HA GLY 10 1HA GLY 10 4.933 11.736 -5.139 84 H LYS 11 H LYS 11 3.424 9.274 -3.189 85 HA LYS 11 HA LYS 11 3.481 11.176 -0.906 86 1HB LYS 11 2HB LYS 11 1.347 9.964 -1.909 87 2HB LYS 11 1HB LYS 11 1.883 8.638 -0.876 88 1HG LYS 11 2HG LYS 11 0.422 9.904 0.497 89 2HG LYS 11 1HG LYS 11 2.039 10.396 0.999 90 1HD LYS 11 2HD LYS 11 0.978 12.461 0.733 91 2HD LYS 11 1HD LYS 11 1.750 12.249 -0.838 92 1HE LYS 11 2HE LYS 11 -0.584 10.984 -1.324 93 2HE LYS 11 1HE LYS 11 -1.131 12.143 -0.113 94 1HZ LYS 11 1HZ LYS 11 0.461 13.627 -1.726 95 2HZ LYS 11 3HZ LYS 11 -0.305 12.588 -2.826 96 3HZ LYS 11 2HZ LYS 11 -1.235 13.572 -1.798 97 H SER 12 H SER 12 2.836 8.711 0.852 98 HA SER 12 HA SER 12 5.501 7.418 0.902 99 1HB SER 12 2HB SER 12 4.625 9.494 2.759 100 2HB SER 12 1HB SER 12 5.052 7.997 3.588 101 HG SER 12 HG SER 12 6.614 9.657 1.931 102 H VAL 13 H VAL 13 5.538 5.540 2.350 103 HA VAL 13 HA VAL 13 3.388 3.791 2.081 104 HB VAL 13 HB VAL 13 5.295 3.856 4.434 105 1HG1 VAL 13 2HG1 VAL 13 3.148 2.163 3.839 106 2HG1 VAL 13 1HG1 VAL 13 4.571 1.275 3.293 107 3HG1 VAL 13 3HG1 VAL 13 4.463 1.824 4.966 108 1HG2 VAL 13 2HG2 VAL 13 5.663 3.257 1.552 109 2HG2 VAL 13 1HG2 VAL 13 6.848 3.767 2.754 110 3HG2 VAL 13 3HG2 VAL 13 6.350 2.076 2.668 111 H GLU 14 H GLU 14 3.965 6.162 4.648 112 HA GLU 14 HA GLU 14 2.092 5.442 6.565 113 1HB GLU 14 2HB GLU 14 3.085 8.056 5.527 114 2HB GLU 14 1HB GLU 14 1.651 8.092 6.552 115 1HG GLU 14 2HG GLU 14 2.870 7.681 8.402 116 2HG GLU 14 1HG GLU 14 3.671 6.307 7.638 117 H GLU 15 H GLU 15 1.200 7.935 4.177 118 HA GLU 15 HA GLU 15 -1.594 7.587 4.410 119 1HB GLU 15 2HB GLU 15 0.243 8.914 2.579 120 2HB GLU 15 1HB GLU 15 -1.155 8.257 1.727 121 1HG GLU 15 2HG GLU 15 -2.455 9.329 3.796 122 2HG GLU 15 1HG GLU 15 -1.035 10.378 3.826 123 H ALA 16 H ALA 16 0.776 5.819 2.492 124 HA ALA 16 HA ALA 16 -1.088 4.425 0.827 125 1HB ALA 16 1HB ALA 16 1.755 4.321 1.406 126 2HB ALA 16 3HB ALA 16 1.085 2.701 1.220 127 3HB ALA 16 2HB ALA 16 0.907 3.885 -0.075 128 H LYS 17 H LYS 17 0.866 2.500 3.063 129 HA LYS 17 HA LYS 17 -0.958 0.460 3.474 130 1HB LYS 17 2HB LYS 17 1.425 0.769 4.459 131 2HB LYS 17 1HB LYS 17 0.606 1.547 5.813 132 1HG LYS 17 2HG LYS 17 0.367 -0.546 6.646 133 2HG LYS 17 1HG LYS 17 -0.904 -0.733 5.436 134 1HD LYS 17 2HD LYS 17 0.314 -2.373 4.493 135 2HD LYS 17 1HD LYS 17 1.526 -1.163 4.069 136 1HE LYS 17 2HE LYS 17 2.879 -2.463 5.372 137 2HE LYS 17 1HE LYS 17 2.139 -1.542 6.682 138 1HZ LYS 17 3HZ LYS 17 0.340 -3.363 6.558 139 2HZ LYS 17 2HZ LYS 17 1.536 -4.272 5.764 140 3HZ LYS 17 1HZ LYS 17 1.804 -3.706 7.343 141 H LYS 18 H LYS 18 -1.027 3.668 4.821 142 HA LYS 18 HA LYS 18 -2.912 3.288 6.920 143 1HB LYS 18 2HB LYS 18 -1.645 5.352 6.727 144 2HB LYS 18 1HB LYS 18 -2.366 5.689 5.152 145 1HG LYS 18 2HG LYS 18 -4.465 6.182 6.078 146 2HG LYS 18 1HG LYS 18 -4.121 5.302 7.568 147 1HD LYS 18 2HD LYS 18 -2.132 7.217 7.539 148 2HD LYS 18 1HD LYS 18 -3.508 8.088 6.862 149 1HE LYS 18 2HE LYS 18 -4.667 8.040 8.823 150 2HE LYS 18 1HE LYS 18 -4.138 6.402 9.206 151 1HZ LYS 18 1HZ LYS 18 -2.144 8.540 9.279 152 2HZ LYS 18 3HZ LYS 18 -3.269 8.469 10.545 153 3HZ LYS 18 2HZ LYS 18 -2.265 7.136 10.228 154 H VAL 19 H VAL 19 -3.820 5.188 4.081 155 HA VAL 19 HA VAL 19 -6.579 4.499 4.245 156 HB VAL 19 HB VAL 19 -5.201 5.271 1.670 157 1HG1 VAL 19 1HG1 VAL 19 -7.930 5.311 2.795 158 2HG1 VAL 19 3HG1 VAL 19 -7.456 6.799 1.975 159 3HG1 VAL 19 2HG1 VAL 19 -7.406 5.262 1.111 160 1HG2 VAL 19 3HG2 VAL 19 -5.681 6.924 4.155 161 2HG2 VAL 19 2HG2 VAL 19 -4.200 6.787 3.207 162 3HG2 VAL 19 1HG2 VAL 19 -5.586 7.669 2.560 163 H ILE 20 H ILE 20 -4.035 3.244 2.091 164 HA ILE 20 HA ILE 20 -5.492 1.438 0.563 165 HB ILE 20 HB ILE 20 -2.766 0.948 1.802 166 1HG1 ILE 20 2HG1 ILE 20 -3.488 2.168 -0.880 167 2HG1 ILE 20 1HG1 ILE 20 -3.000 3.106 0.530 168 1HG2 ILE 20 2HG2 ILE 20 -4.363 -0.382 -0.359 169 2HG2 ILE 20 1HG2 ILE 20 -2.610 -0.298 -0.529 170 3HG2 ILE 20 3HG2 ILE 20 -3.322 -1.105 0.868 171 1HD1 ILE 20 2HD1 ILE 20 -0.899 1.624 0.575 172 2HD1 ILE 20 1HD1 ILE 20 -1.373 1.109 -1.043 173 3HD1 ILE 20 3HD1 ILE 20 -1.006 2.805 -0.731 174 H LEU 21 H LEU 21 -3.836 0.566 3.632 175 HA LEU 21 HA LEU 21 -4.670 -2.004 4.038 176 1HB LEU 21 2HB LEU 21 -3.372 -0.845 5.724 177 2HB LEU 21 1HB LEU 21 -4.722 0.238 6.075 178 HG LEU 21 HG LEU 21 -5.560 -2.529 6.266 179 1HD1 LEU 21 3HD1 LEU 21 -3.226 -1.652 7.996 180 2HD1 LEU 21 2HD1 LEU 21 -4.217 -3.081 8.293 181 3HD1 LEU 21 1HD1 LEU 21 -3.226 -2.982 6.837 182 1HD2 LEU 21 3HD2 LEU 21 -5.559 -0.029 7.911 183 2HD2 LEU 21 2HD2 LEU 21 -6.915 -1.038 7.411 184 3HD2 LEU 21 1HD2 LEU 21 -5.872 -1.558 8.733 185 H GLN 22 H GLN 22 -6.762 0.825 4.246 186 HA GLN 22 HA GLN 22 -9.088 -0.993 4.135 187 1HB GLN 22 2HB GLN 22 -8.255 0.287 6.557 188 2HB GLN 22 1HB GLN 22 -9.761 1.035 6.023 189 1HG GLN 22 2HG GLN 22 -10.804 -1.190 5.814 190 2HG GLN 22 1HG GLN 22 -9.299 -1.952 6.333 191 1HE2 GLN 22 2HE2 GLN 22 -10.118 -1.585 9.731 192 2HE2 GLN 22 1HE2 GLN 22 -9.253 -2.422 8.534 193 H ASP 23 H ASP 23 -8.238 0.547 2.044 194 HA ASP 23 HA ASP 23 -9.340 3.202 2.034 195 1HB ASP 23 2HB ASP 23 -8.428 3.327 -0.040 196 2HB ASP 23 1HB ASP 23 -7.714 1.766 0.341 197 H LYS 24 H LYS 24 -10.619 0.028 1.072 198 HA LYS 24 HA LYS 24 -13.298 1.311 1.100 199 1HB LYS 24 2HB LYS 24 -13.790 -0.737 -0.610 200 2HB LYS 24 1HB LYS 24 -13.386 0.889 -1.116 201 1HG LYS 24 2HG LYS 24 -10.895 -0.364 -0.684 202 2HG LYS 24 1HG LYS 24 -11.870 -1.547 -1.536 203 1HD LYS 24 2HD LYS 24 -11.793 1.306 -2.463 204 2HD LYS 24 1HD LYS 24 -10.538 0.157 -2.947 205 1HE LYS 24 2HE LYS 24 -13.521 -0.265 -3.318 206 2HE LYS 24 1HE LYS 24 -12.416 0.259 -4.586 207 1HZ LYS 24 2HZ LYS 24 -11.118 -1.864 -3.807 208 2HZ LYS 24 1HZ LYS 24 -12.661 -2.354 -3.291 209 3HZ LYS 24 3HZ LYS 24 -12.394 -1.978 -4.923 210 HA PRO 25 HA PRO 25 -14.229 -2.713 3.203 211 1HB PRO 25 2HB PRO 25 -13.097 -5.094 2.444 212 2HB PRO 25 1HB PRO 25 -14.536 -4.422 1.656 213 1HG PRO 25 2HG PRO 25 -11.735 -4.546 0.648 214 2HG PRO 25 1HG PRO 25 -13.254 -4.476 -0.257 215 1HD PRO 25 2HD PRO 25 -11.494 -2.302 0.193 216 2HD PRO 25 1HD PRO 25 -13.151 -2.229 -0.432 217 H GLU 26 H GLU 26 -11.180 -4.237 2.334 218 HA GLU 26 HA GLU 26 -9.633 -3.075 4.516 219 1HB GLU 26 2HB GLU 26 -10.059 -6.057 4.649 220 2HB GLU 26 1HB GLU 26 -9.415 -4.980 5.884 221 1HG GLU 26 2HG GLU 26 -11.639 -3.962 6.173 222 2HG GLU 26 1HG GLU 26 -12.287 -5.009 4.909 223 H ALA 27 H ALA 27 -8.745 -2.747 2.140 224 HA ALA 27 HA ALA 27 -7.336 -5.120 1.147 225 1HB ALA 27 3HB ALA 27 -8.141 -2.561 0.068 226 2HB ALA 27 2HB ALA 27 -6.426 -2.838 -0.234 227 3HB ALA 27 1HB ALA 27 -7.621 -4.010 -0.793 228 H GLN 28 H GLN 28 -5.447 -5.673 2.070 229 HA GLN 28 HA GLN 28 -3.886 -3.671 3.569 230 1HB GLN 28 2HB GLN 28 -4.345 -6.388 3.892 231 2HB GLN 28 1HB GLN 28 -2.706 -6.337 3.239 232 1HG GLN 28 2HG GLN 28 -1.915 -5.668 5.236 233 2HG GLN 28 1HG GLN 28 -2.973 -4.257 5.195 234 1HE2 GLN 28 2HE2 GLN 28 -3.781 -7.068 7.863 235 2HE2 GLN 28 1HE2 GLN 28 -2.268 -6.819 7.136 236 H ILE 29 H ILE 29 -1.513 -3.483 3.134 237 HA ILE 29 HA ILE 29 -0.809 -4.176 0.335 238 HB ILE 29 HB ILE 29 -1.591 -1.836 0.334 239 1HG1 ILE 29 2HG1 ILE 29 1.416 -1.833 0.084 240 2HG1 ILE 29 1HG1 ILE 29 0.413 -2.766 -1.027 241 1HG2 ILE 29 2HG2 ILE 29 0.607 -1.523 2.398 242 2HG2 ILE 29 1HG2 ILE 29 -0.132 -0.163 1.553 243 3HG2 ILE 29 3HG2 ILE 29 -1.111 -1.181 2.609 244 1HD1 ILE 29 2HD1 ILE 29 0.166 0.211 -0.511 245 2HD1 ILE 29 1HD1 ILE 29 0.894 -0.524 -1.939 246 3HD1 ILE 29 3HD1 ILE 29 -0.831 -0.725 -1.628 247 H ILE 30 H ILE 30 1.253 -4.839 0.081 248 HA ILE 30 HA ILE 30 2.948 -5.077 2.496 249 HB ILE 30 HB ILE 30 2.943 -6.261 -0.272 250 1HG1 ILE 30 2HG1 ILE 30 1.712 -7.382 1.538 251 2HG1 ILE 30 1HG1 ILE 30 3.091 -8.362 1.031 252 1HG2 ILE 30 1HG2 ILE 30 5.325 -5.815 1.456 253 2HG2 ILE 30 3HG2 ILE 30 5.159 -7.408 0.720 254 3HG2 ILE 30 2HG2 ILE 30 5.214 -5.969 -0.299 255 1HD1 ILE 30 2HD1 ILE 30 4.182 -6.745 2.991 256 2HD1 ILE 30 1HD1 ILE 30 2.565 -7.074 3.614 257 3HD1 ILE 30 3HD1 ILE 30 3.649 -8.410 3.225 258 H VAL 31 H VAL 31 5.196 -4.258 2.455 259 HA VAL 31 HA VAL 31 5.492 -1.975 0.548 260 HB VAL 31 HB VAL 31 5.213 -1.292 2.925 261 1HG1 VAL 31 1HG1 VAL 31 7.765 -2.891 3.282 262 2HG1 VAL 31 3HG1 VAL 31 7.074 -1.817 4.498 263 3HG1 VAL 31 2HG1 VAL 31 6.195 -3.261 3.994 264 1HG2 VAL 31 3HG2 VAL 31 6.755 -0.119 1.192 265 2HG2 VAL 31 2HG2 VAL 31 6.947 0.309 2.892 266 3HG2 VAL 31 1HG2 VAL 31 8.082 -0.805 2.129 267 H LEU 32 H LEU 32 7.388 -1.852 -0.636 268 HA LEU 32 HA LEU 32 9.682 -3.548 0.147 269 1HB LEU 32 2HB LEU 32 9.758 -4.756 -1.939 270 2HB LEU 32 1HB LEU 32 8.149 -4.971 -1.256 271 HG LEU 32 HG LEU 32 8.046 -2.620 -2.813 272 1HD1 LEU 32 3HD1 LEU 32 10.187 -4.103 -3.715 273 2HD1 LEU 32 2HD1 LEU 32 8.868 -4.715 -4.715 274 3HD1 LEU 32 1HD1 LEU 32 9.245 -2.994 -4.708 275 1HD2 LEU 32 2HD2 LEU 32 6.467 -4.726 -2.322 276 2HD2 LEU 32 1HD2 LEU 32 6.240 -3.726 -3.755 277 3HD2 LEU 32 3HD2 LEU 32 7.114 -5.253 -3.874 278 HA PRO 33 HA PRO 33 11.956 -0.327 -1.761 279 1HB PRO 33 2HB PRO 33 14.272 -1.693 -2.306 280 2HB PRO 33 1HB PRO 33 13.784 -1.213 -0.672 281 1HG PRO 33 2HG PRO 33 13.751 -3.918 -1.915 282 2HG PRO 33 1HG PRO 33 13.860 -3.469 -0.205 283 1HD PRO 33 2HD PRO 33 11.534 -4.374 -1.562 284 2HD PRO 33 1HD PRO 33 11.600 -3.681 0.072 285 H VAL 34 H VAL 34 10.135 -1.463 -3.629 286 HA VAL 34 HA VAL 34 9.797 -1.664 -5.930 287 HB VAL 34 HB VAL 34 12.513 -0.314 -5.957 288 1HG1 VAL 34 3HG1 VAL 34 12.001 -1.580 -8.061 289 2HG1 VAL 34 2HG1 VAL 34 10.519 -0.636 -8.219 290 3HG1 VAL 34 1HG1 VAL 34 12.088 0.164 -8.304 291 1HG2 VAL 34 1HG2 VAL 34 10.271 0.761 -5.019 292 2HG2 VAL 34 3HG2 VAL 34 11.357 1.703 -6.041 293 3HG2 VAL 34 2HG2 VAL 34 9.913 0.963 -6.733 294 H GLY 35 H GLY 35 13.275 -1.999 -6.342 295 1HA GLY 35 2HA GLY 35 14.516 -3.822 -7.157 296 2HA GLY 35 1HA GLY 35 13.561 -4.784 -6.027 297 H THR 36 H THR 36 14.229 -6.010 -8.362 298 HA THR 36 HA THR 36 11.888 -5.704 -10.175 299 HB THR 36 HB THR 36 14.143 -5.746 -11.210 300 HG1 THR 36 HG1 THR 36 12.630 -6.554 -12.534 301 1HG2 THR 36 1HG2 THR 36 14.736 -7.600 -9.285 302 2HG2 THR 36 3HG2 THR 36 14.521 -8.625 -10.703 303 3HG2 THR 36 2HG2 THR 36 15.707 -7.320 -10.730 304 H ILE 37 H ILE 37 10.631 -6.694 -8.271 305 HA ILE 37 HA ILE 37 9.611 -8.546 -7.238 306 HB ILE 37 HB ILE 37 10.191 -9.610 -10.019 307 1HG1 ILE 37 2HG1 ILE 37 7.702 -8.448 -8.722 308 2HG1 ILE 37 1HG1 ILE 37 8.700 -7.652 -9.939 309 1HG2 ILE 37 2HG2 ILE 37 9.010 -10.874 -7.628 310 2HG2 ILE 37 1HG2 ILE 37 8.023 -11.002 -9.084 311 3HG2 ILE 37 3HG2 ILE 37 9.675 -11.618 -9.082 312 1HD1 ILE 37 3HD1 ILE 37 8.201 -9.976 -11.225 313 2HD1 ILE 37 2HD1 ILE 37 6.736 -9.863 -10.251 314 3HD1 ILE 37 1HD1 ILE 37 7.154 -8.563 -11.368 315 H VAL 38 H VAL 38 11.940 -8.487 -6.100 316 HA VAL 38 HA VAL 38 13.426 -10.999 -6.662 317 HB VAL 38 HB VAL 38 15.136 -10.117 -5.195 318 1HG1 VAL 38 3HG1 VAL 38 14.040 -8.562 -7.409 319 2HG1 VAL 38 2HG1 VAL 38 14.933 -7.553 -6.272 320 3HG1 VAL 38 1HG1 VAL 38 15.721 -8.937 -7.030 321 1HG2 VAL 38 1HG2 VAL 38 13.476 -9.199 -3.527 322 2HG2 VAL 38 3HG2 VAL 38 14.824 -8.116 -3.876 323 3HG2 VAL 38 2HG2 VAL 38 13.246 -7.822 -4.606 324 H THR 39 H THR 39 14.349 -11.241 -3.892 325 HA THR 39 HA THR 39 13.721 -12.578 -2.055 326 HB THR 39 HB THR 39 11.711 -11.673 -0.843 327 HG1 THR 39 HG1 THR 39 10.784 -9.793 -1.809 328 1HG2 THR 39 1HG2 THR 39 14.087 -10.158 -1.695 329 2HG2 THR 39 3HG2 THR 39 12.767 -9.152 -1.096 330 3HG2 THR 39 2HG2 THR 39 13.441 -10.424 -0.076 331 1H GLU 41 2H GLU 41 -8.763 -8.853 -8.790 332 2H GLU 41 1H GLU 41 -8.218 -9.153 -10.372 333 3H GLU 41 3H GLU 41 -8.773 -7.608 -9.946 334 HA GLU 41 HA GLU 41 -10.557 -8.499 -11.094 335 1HB GLU 41 2HB GLU 41 -9.686 -11.026 -9.746 336 2HB GLU 41 1HB GLU 41 -11.360 -10.872 -10.282 337 1HG GLU 41 2HG GLU 41 -9.193 -10.099 -12.195 338 2HG GLU 41 1HG GLU 41 -9.480 -11.817 -11.914 339 H TYR 42 H TYR 42 -10.283 -9.743 -7.799 340 HA TYR 42 HA TYR 42 -12.892 -8.474 -7.173 341 1HB TYR 42 2HB TYR 42 -12.496 -9.859 -4.967 342 2HB TYR 42 1HB TYR 42 -12.986 -10.679 -6.440 343 HD1 TYR 42 HD1 TYR 42 -9.640 -9.349 -5.343 344 HD2 TYR 42 HD2 TYR 42 -11.976 -12.754 -6.511 345 HE1 TYR 42 HE1 TYR 42 -7.611 -10.756 -5.284 346 HE2 TYR 42 HE2 TYR 42 -9.945 -14.165 -6.455 347 HH TYR 42 HH TYR 42 -7.455 -13.747 -4.970 348 H ARG 43 H ARG 43 -11.341 -8.812 -4.251 349 HA ARG 43 HA ARG 43 -10.110 -6.104 -4.435 350 1HB ARG 43 2HB ARG 43 -11.182 -5.397 -2.425 351 2HB ARG 43 1HB ARG 43 -12.459 -6.137 -3.390 352 1HG ARG 43 2HG ARG 43 -11.522 -8.314 -2.034 353 2HG ARG 43 1HG ARG 43 -11.252 -7.044 -0.837 354 1HD ARG 43 2HD ARG 43 -13.441 -7.391 -0.312 355 2HD ARG 43 1HD ARG 43 -13.763 -6.414 -1.745 356 HE ARG 43 HE ARG 43 -13.423 -9.266 -2.311 357 1HH1 ARG 43 1HH2 ARG 43 -15.121 -7.729 -4.080 358 2HH1 ARG 43 2HH2 ARG 43 -16.725 -8.067 -3.521 359 1HH2 ARG 43 2HH1 ARG 43 -15.686 -9.270 -0.440 360 2HH2 ARG 43 1HH1 ARG 43 -17.045 -8.938 -1.461 361 H ILE 44 H ILE 44 -8.401 -8.162 -4.623 362 HA ILE 44 HA ILE 44 -7.564 -9.622 -2.427 363 HB ILE 44 HB ILE 44 -6.299 -9.747 -4.495 364 1HG1 ILE 44 2HG1 ILE 44 -4.093 -8.643 -2.990 365 2HG1 ILE 44 1HG1 ILE 44 -5.196 -9.497 -1.907 366 1HG2 ILE 44 3HG2 ILE 44 -5.790 -6.834 -3.909 367 2HG2 ILE 44 2HG2 ILE 44 -4.677 -7.756 -4.921 368 3HG2 ILE 44 1HG2 ILE 44 -6.364 -7.572 -5.404 369 1HD1 ILE 44 3HD1 ILE 44 -4.334 -10.742 -4.516 370 2HD1 ILE 44 2HD1 ILE 44 -3.317 -10.868 -3.080 371 3HD1 ILE 44 1HD1 ILE 44 -4.950 -11.533 -3.064 372 H ASP 45 H ASP 45 -6.443 -9.181 -0.509 373 HA ASP 45 HA ASP 45 -6.425 -6.310 0.216 374 1HB ASP 45 2HB ASP 45 -6.745 -6.967 2.447 375 2HB ASP 45 1HB ASP 45 -7.661 -8.170 1.535 376 H ARG 46 H ARG 46 -4.346 -7.237 -1.437 377 HA ARG 46 HA ARG 46 -2.048 -6.532 0.265 378 1HB ARG 46 2HB ARG 46 -2.310 -9.114 0.176 379 2HB ARG 46 1HB ARG 46 -1.818 -8.968 -1.513 380 1HG ARG 46 2HG ARG 46 -0.170 -7.558 0.543 381 2HG ARG 46 1HG ARG 46 -0.021 -9.313 0.429 382 1HD ARG 46 2HD ARG 46 0.058 -8.598 -2.213 383 2HD ARG 46 1HD ARG 46 0.864 -7.222 -1.457 384 HE ARG 46 HE ARG 46 2.675 -8.644 -0.946 385 1HH1 ARG 46 1HH2 ARG 46 -0.180 -10.413 -1.748 386 2HH1 ARG 46 2HH2 ARG 46 0.608 -11.954 -1.710 387 1HH2 ARG 46 2HH1 ARG 46 3.708 -10.650 -0.870 388 2HH2 ARG 46 1HH1 ARG 46 2.807 -12.089 -1.214 389 H VAL 47 H VAL 47 -0.504 -5.389 -0.949 390 HA VAL 47 HA VAL 47 -0.665 -5.462 -3.888 391 HB VAL 47 HB VAL 47 -1.247 -2.941 -2.304 392 1HG1 VAL 47 2HG1 VAL 47 -0.924 -3.444 -5.277 393 2HG1 VAL 47 1HG1 VAL 47 -1.531 -1.952 -4.563 394 3HG1 VAL 47 3HG1 VAL 47 0.131 -2.455 -4.266 395 1HG2 VAL 47 3HG2 VAL 47 -2.895 -4.650 -4.184 396 2HG2 VAL 47 2HG2 VAL 47 -3.158 -4.435 -2.452 397 3HG2 VAL 47 1HG2 VAL 47 -3.396 -3.079 -3.557 398 H ARG 48 H ARG 48 1.191 -4.518 -4.906 399 HA ARG 48 HA ARG 48 3.581 -4.603 -3.233 400 1HB ARG 48 2HB ARG 48 2.953 -4.615 -6.087 401 2HB ARG 48 1HB ARG 48 4.333 -3.578 -5.717 402 1HG ARG 48 2HG ARG 48 4.681 -6.167 -6.181 403 2HG ARG 48 1HG ARG 48 5.624 -5.347 -4.944 404 1HD ARG 48 2HD ARG 48 4.499 -6.380 -3.202 405 2HD ARG 48 1HD ARG 48 3.002 -6.530 -4.126 406 HE ARG 48 HE ARG 48 5.256 -8.197 -5.047 407 1HH1 ARG 48 1HH2 ARG 48 1.973 -8.085 -4.661 408 2HH1 ARG 48 2HH2 ARG 48 1.795 -9.676 -3.999 409 1HH2 ARG 48 2HH1 ARG 48 5.202 -10.167 -3.569 410 2HH2 ARG 48 1HH1 ARG 48 3.623 -10.855 -3.380 411 H LEU 49 H LEU 49 3.859 -2.860 -1.898 412 HA LEU 49 HA LEU 49 3.324 -0.160 -2.991 413 1HB LEU 49 2HB LEU 49 2.497 -0.472 -0.741 414 2HB LEU 49 1HB LEU 49 4.059 -1.080 -0.201 415 HG LEU 49 HG LEU 49 5.074 1.028 -0.308 416 1HD1 LEU 49 1HD1 LEU 49 2.931 1.598 -2.326 417 2HD1 LEU 49 3HD1 LEU 49 3.648 2.954 -1.458 418 3HD1 LEU 49 2HD1 LEU 49 4.669 1.891 -2.430 419 1HD2 LEU 49 3HD2 LEU 49 2.200 1.222 0.558 420 2HD2 LEU 49 2HD2 LEU 49 3.661 1.241 1.545 421 3HD2 LEU 49 1HD2 LEU 49 3.222 2.659 0.593 422 H PHE 50 H PHE 50 5.032 -0.134 -4.483 423 HA PHE 50 HA PHE 50 7.789 -0.606 -3.784 424 1HB PHE 50 2HB PHE 50 6.296 0.697 -6.040 425 2HB PHE 50 1HB PHE 50 8.049 0.899 -5.941 426 HD1 PHE 50 HD1 PHE 50 6.971 -2.190 -4.481 427 HD2 PHE 50 HD2 PHE 50 7.846 -0.294 -8.237 428 HE1 PHE 50 HE1 PHE 50 7.207 -4.413 -5.556 429 HE2 PHE 50 HE2 PHE 50 8.094 -2.514 -9.301 430 HZ PHE 50 HZ PHE 50 7.773 -4.577 -7.963 431 H VAL 51 H VAL 51 9.227 0.846 -2.825 432 HA VAL 51 HA VAL 51 8.157 3.567 -2.226 433 HB VAL 51 HB VAL 51 10.437 3.416 -0.750 434 1HG1 VAL 51 1HG1 VAL 51 7.790 3.671 -0.250 435 2HG1 VAL 51 3HG1 VAL 51 8.081 2.092 0.479 436 3HG1 VAL 51 2HG1 VAL 51 8.997 3.499 1.026 437 1HG2 VAL 51 1HG2 VAL 51 10.611 0.976 -1.621 438 2HG2 VAL 51 3HG2 VAL 51 10.810 1.253 0.108 439 3HG2 VAL 51 2HG2 VAL 51 9.277 0.643 -0.514 440 H ASP 52 H ASP 52 10.420 4.993 -1.782 441 HA ASP 52 HA ASP 52 11.945 4.795 -4.339 442 1HB ASP 52 2HB ASP 52 11.704 7.066 -4.793 443 2HB ASP 52 1HB ASP 52 10.134 6.697 -4.089 444 H LYS 53 H LYS 53 13.493 7.196 -3.495 445 HA LYS 53 HA LYS 53 15.671 5.958 -2.227 446 1HB LYS 53 2HB LYS 53 14.937 8.880 -2.076 447 2HB LYS 53 1HB LYS 53 16.561 8.184 -2.069 448 1HG LYS 53 2HG LYS 53 15.895 7.200 -4.382 449 2HG LYS 53 1HG LYS 53 14.595 8.396 -4.349 450 1HD LYS 53 2HD LYS 53 16.282 10.188 -3.991 451 2HD LYS 53 1HD LYS 53 17.565 8.982 -4.098 452 1HE LYS 53 2HE LYS 53 15.649 9.856 -6.266 453 2HE LYS 53 1HE LYS 53 17.411 9.922 -6.280 454 1HZ LYS 53 1HZ LYS 53 17.230 7.386 -5.990 455 2HZ LYS 53 3HZ LYS 53 15.644 7.583 -6.560 456 3HZ LYS 53 2HZ LYS 53 16.957 8.055 -7.527 457 H LEU 54 H LEU 54 13.402 8.329 -0.750 458 HA LEU 54 HA LEU 54 14.229 7.327 1.924 459 1HB LEU 54 2HB LEU 54 14.072 9.852 1.091 460 2HB LEU 54 1HB LEU 54 12.392 9.653 1.593 461 HG LEU 54 HG LEU 54 14.460 8.643 3.476 462 1HD1 LEU 54 3HD1 LEU 54 14.081 11.548 2.761 463 2HD1 LEU 54 2HD1 LEU 54 14.553 11.076 4.393 464 3HD1 LEU 54 1HD1 LEU 54 15.585 10.665 3.022 465 1HD2 LEU 54 2HD2 LEU 54 11.693 9.639 3.458 466 2HD2 LEU 54 1HD2 LEU 54 12.476 8.519 4.575 467 3HD2 LEU 54 3HD2 LEU 54 12.650 10.259 4.802 468 H ASP 55 H ASP 55 12.052 6.178 -0.062 469 HA ASP 55 HA ASP 55 10.247 4.740 0.481 470 1HB ASP 55 2HB ASP 55 9.479 4.465 2.618 471 2HB ASP 55 1HB ASP 55 10.993 5.278 2.988 472 H ASN 56 H ASN 56 10.058 6.723 -1.278 473 HA ASN 56 HA ASN 56 7.499 8.135 -0.700 474 1HB ASN 56 2HB ASN 56 9.763 9.248 -1.626 475 2HB ASN 56 1HB ASN 56 9.064 8.732 -3.164 476 1HD2 ASN 56 2HD2 ASN 56 7.262 11.722 -1.024 477 2HD2 ASN 56 1HD2 ASN 56 8.474 10.778 -0.303 478 H ILE 57 H ILE 57 5.728 7.313 -1.600 479 HA ILE 57 HA ILE 57 5.652 4.999 -3.201 480 HB ILE 57 HB ILE 57 3.531 7.141 -3.352 481 1HG1 ILE 57 2HG1 ILE 57 3.952 7.082 -1.021 482 2HG1 ILE 57 1HG1 ILE 57 2.628 5.944 -1.246 483 1HG2 ILE 57 1HG2 ILE 57 3.773 4.417 -4.173 484 2HG2 ILE 57 3HG2 ILE 57 2.579 4.491 -2.876 485 3HG2 ILE 57 2HG2 ILE 57 2.374 5.480 -4.322 486 1HD1 ILE 57 3HD1 ILE 57 4.861 4.359 -1.629 487 2HD1 ILE 57 2HD1 ILE 57 5.379 5.456 -0.351 488 3HD1 ILE 57 1HD1 ILE 57 3.936 4.467 -0.130 489 H ALA 58 H ALA 58 7.173 5.258 -4.895 490 HA ALA 58 HA ALA 58 6.728 7.397 -6.885 491 1HB ALA 58 2HB ALA 58 8.956 5.881 -6.067 492 2HB ALA 58 1HB ALA 58 8.596 5.330 -7.703 493 3HB ALA 58 3HB ALA 58 8.900 7.040 -7.395 494 H GLN 59 H GLN 59 5.898 4.093 -6.322 495 HA GLN 59 HA GLN 59 4.682 3.959 -9.052 496 1HB GLN 59 2HB GLN 59 6.330 1.976 -7.556 497 2HB GLN 59 1HB GLN 59 4.937 1.343 -8.436 498 1HG GLN 59 2HG GLN 59 6.802 1.292 -9.955 499 2HG GLN 59 1HG GLN 59 5.764 2.625 -10.461 500 1HE2 GLN 59 2HE2 GLN 59 8.397 4.931 -10.169 501 2HE2 GLN 59 1HE2 GLN 59 6.961 4.464 -10.945 502 H VAL 60 H VAL 60 2.740 4.831 -8.079 503 HA VAL 60 HA VAL 60 1.418 4.099 -5.802 504 HB VAL 60 HB VAL 60 0.371 4.726 -8.546 505 1HG1 VAL 60 1HG1 VAL 60 -1.091 3.505 -6.293 506 2HG1 VAL 60 3HG1 VAL 60 -1.813 4.997 -6.899 507 3HG1 VAL 60 2HG1 VAL 60 -1.550 3.641 -7.992 508 1HG2 VAL 60 3HG2 VAL 60 0.543 6.089 -5.856 509 2HG2 VAL 60 2HG2 VAL 60 1.210 6.623 -7.398 510 3HG2 VAL 60 1HG2 VAL 60 -0.531 6.684 -7.120 511 HA PRO 61 HA PRO 61 0.649 -0.262 -6.342 512 1HB PRO 61 2HB PRO 61 -0.530 -0.581 -3.882 513 2HB PRO 61 1HB PRO 61 1.221 -0.474 -4.112 514 1HG PRO 61 2HG PRO 61 -0.651 1.538 -2.983 515 2HG PRO 61 1HG PRO 61 1.093 1.368 -2.731 516 1HD PRO 61 2HD PRO 61 -0.201 3.238 -4.450 517 2HD PRO 61 1HD PRO 61 1.543 2.915 -4.348 518 H ARG 62 H ARG 62 -1.328 -1.664 -6.389 519 HA ARG 62 HA ARG 62 -3.913 -0.189 -6.331 520 1HB ARG 62 2HB ARG 62 -2.547 -1.212 -8.695 521 2HB ARG 62 1HB ARG 62 -4.154 -1.915 -8.508 522 1HG ARG 62 2HG ARG 62 -4.429 0.105 -9.777 523 2HG ARG 62 1HG ARG 62 -5.021 0.444 -8.150 524 1HD ARG 62 2HD ARG 62 -3.318 1.897 -7.691 525 2HD ARG 62 1HD ARG 62 -2.133 0.944 -8.585 526 HE ARG 62 HE ARG 62 -4.108 2.751 -9.923 527 1HH1 ARG 62 1HH2 ARG 62 -1.642 0.556 -10.487 528 2HH1 ARG 62 2HH2 ARG 62 -0.701 1.598 -11.501 529 1HH2 ARG 62 2HH1 ARG 62 -2.632 4.405 -10.863 530 2HH2 ARG 62 1HH1 ARG 62 -1.263 3.775 -11.715 531 H VAL 63 H VAL 63 -5.751 -1.608 -5.996 532 HA VAL 63 HA VAL 63 -4.982 -4.357 -5.093 533 HB VAL 63 HB VAL 63 -6.309 -2.207 -3.688 534 1HG1 VAL 63 1HG1 VAL 63 -7.887 -4.773 -3.972 535 2HG1 VAL 63 3HG1 VAL 63 -8.130 -3.617 -2.658 536 3HG1 VAL 63 2HG1 VAL 63 -8.440 -3.136 -4.329 537 1HG2 VAL 63 3HG2 VAL 63 -4.983 -4.790 -3.157 538 2HG2 VAL 63 2HG2 VAL 63 -4.816 -3.247 -2.323 539 3HG2 VAL 63 1HG2 VAL 63 -6.175 -4.308 -1.950 540 H GLY 64 H GLY 64 -5.932 -5.933 -6.271 541 1HA GLY 64 2HA GLY 64 -8.348 -6.678 -6.921 542 2HA GLY 64 1HA GLY 64 -8.314 -5.222 -7.919 No H/Q in entry = 542 Start of MODEL 16 Raw file had 552 H/Q atoms Start of MODEL 16 1 1H MET 1 2H MET 1 -15.101 4.522 -3.956 2 2H MET 1 1H MET 1 -15.831 3.682 -5.239 3 3H MET 1 3H MET 1 -16.401 3.468 -3.658 4 HA MET 1 HA MET 1 -14.706 2.106 -3.047 5 1HB MET 1 2HB MET 1 -14.910 1.824 -6.060 6 2HB MET 1 1HB MET 1 -14.132 0.643 -5.008 7 1HG MET 1 2HG MET 1 -16.601 1.119 -3.792 8 2HG MET 1 1HG MET 1 -16.969 1.067 -5.515 9 1HE MET 1 2HE MET 1 -18.491 -0.985 -4.531 10 2HE MET 1 1HE MET 1 -17.985 -0.987 -6.218 11 3HE MET 1 3HE MET 1 -17.931 -2.481 -5.273 12 H LYS 2 H LYS 2 -12.711 2.685 -2.336 13 HA LYS 2 HA LYS 2 -10.933 4.275 -4.068 14 1HB LYS 2 2HB LYS 2 -11.347 4.136 -1.313 15 2HB LYS 2 1HB LYS 2 -9.783 3.356 -1.547 16 1HG LYS 2 2HG LYS 2 -10.581 6.104 -2.552 17 2HG LYS 2 1HG LYS 2 -9.463 5.762 -1.234 18 1HD LYS 2 2HD LYS 2 -7.753 5.436 -2.666 19 2HD LYS 2 1HD LYS 2 -8.709 4.309 -3.633 20 1HE LYS 2 2HE LYS 2 -8.427 5.993 -5.190 21 2HE LYS 2 1HE LYS 2 -9.908 6.558 -4.415 22 1HZ LYS 2 3HZ LYS 2 -8.106 7.637 -2.811 23 2HZ LYS 2 2HZ LYS 2 -7.202 7.615 -4.249 24 3HZ LYS 2 1HZ LYS 2 -8.693 8.427 -4.192 25 H THR 3 H THR 3 -10.650 2.467 -5.651 26 HA THR 3 HA THR 3 -9.006 0.194 -4.674 27 HB THR 3 HB THR 3 -9.354 -0.779 -6.845 28 HG1 THR 3 HG1 THR 3 -8.984 1.000 -8.130 29 1HG2 THR 3 2HG2 THR 3 -11.718 0.579 -5.609 30 2HG2 THR 3 1HG2 THR 3 -11.934 -0.258 -7.146 31 3HG2 THR 3 3HG2 THR 3 -11.354 -1.143 -5.736 32 H GLU 4 H GLU 4 -8.641 3.297 -6.054 33 HA GLU 4 HA GLU 4 -5.922 2.640 -7.106 34 1HB GLU 4 2HB GLU 4 -8.004 4.431 -7.941 35 2HB GLU 4 1HB GLU 4 -6.586 5.380 -7.510 36 1HG GLU 4 2HG GLU 4 -5.529 3.219 -8.919 37 2HG GLU 4 1HG GLU 4 -7.001 3.613 -9.806 38 H TRP 5 H TRP 5 -4.489 4.763 -6.837 39 HA TRP 5 HA TRP 5 -4.830 6.096 -4.281 40 1HB TRP 5 2HB TRP 5 -2.730 3.955 -4.647 41 2HB TRP 5 1HB TRP 5 -2.627 5.184 -3.393 42 HD1 TRP 5 HD1 TRP 5 -4.874 5.303 -1.726 43 HE1 TRP 5 HE1 TRP 5 -6.160 3.313 -0.718 44 HE3 TRP 5 HE3 TRP 5 -3.508 1.625 -4.992 45 HZ2 TRP 5 HZ2 TRP 5 -6.538 0.538 -1.235 46 HZ3 TRP 5 HZ3 TRP 5 -4.345 -0.683 -4.697 47 HH2 TRP 5 HH2 TRP 5 -5.873 -1.230 -2.827 48 HA PRO 6 HA PRO 6 -1.964 7.925 -7.573 49 1HB PRO 6 2HB PRO 6 -3.699 9.857 -8.503 50 2HB PRO 6 1HB PRO 6 -3.505 8.269 -9.269 51 1HG PRO 6 2HG PRO 6 -5.702 9.240 -7.474 52 2HG PRO 6 1HG PRO 6 -5.776 8.085 -8.818 53 1HD PRO 6 2HD PRO 6 -5.755 7.335 -6.139 54 2HD PRO 6 1HD PRO 6 -5.224 6.298 -7.476 55 H GLU 7 H GLU 7 -4.248 8.961 -5.225 56 HA GLU 7 HA GLU 7 -3.109 11.579 -4.670 57 1HB GLU 7 2HB GLU 7 -5.345 10.247 -3.808 58 2HB GLU 7 1HB GLU 7 -4.282 10.069 -2.410 59 1HG GLU 7 2HG GLU 7 -4.440 12.770 -3.667 60 2HG GLU 7 1HG GLU 7 -5.836 12.230 -2.732 61 H LEU 8 H LEU 8 -2.340 8.298 -3.907 62 HA LEU 8 HA LEU 8 -0.580 8.805 -1.665 63 1HB LEU 8 2HB LEU 8 -1.618 6.568 -3.092 64 2HB LEU 8 1HB LEU 8 0.133 6.420 -3.078 65 HG LEU 8 HG LEU 8 -1.098 5.368 -1.106 66 1HD1 LEU 8 2HD1 LEU 8 1.099 7.406 -0.861 67 2HD1 LEU 8 1HD1 LEU 8 0.546 6.509 0.554 68 3HD1 LEU 8 3HD1 LEU 8 1.212 5.649 -0.835 69 1HD2 LEU 8 1HD2 LEU 8 -2.168 8.023 -0.986 70 2HD2 LEU 8 3HD2 LEU 8 -2.543 6.646 0.049 71 3HD2 LEU 8 2HD2 LEU 8 -1.227 7.739 0.479 72 H VAL 9 H VAL 9 -0.318 9.142 -5.063 73 HA VAL 9 HA VAL 9 2.348 8.550 -5.587 74 HB VAL 9 HB VAL 9 0.621 10.813 -6.601 75 1HG1 VAL 9 1HG1 VAL 9 3.091 11.408 -6.671 76 2HG1 VAL 9 3HG1 VAL 9 3.330 9.986 -7.693 77 3HG1 VAL 9 2HG1 VAL 9 2.315 11.314 -8.257 78 1HG2 VAL 9 2HG2 VAL 9 1.617 8.202 -7.786 79 2HG2 VAL 9 1HG2 VAL 9 -0.036 8.562 -7.289 80 3HG2 VAL 9 3HG2 VAL 9 0.674 9.403 -8.667 81 H GLY 10 H GLY 10 4.287 9.713 -5.455 82 1HA GLY 10 2HA GLY 10 5.844 11.070 -4.368 83 2HA GLY 10 1HA GLY 10 4.619 12.327 -4.522 84 H LYS 11 H LYS 11 3.648 9.550 -2.723 85 HA LYS 11 HA LYS 11 3.942 11.156 -0.222 86 1HB LYS 11 2HB LYS 11 1.661 10.102 -1.244 87 2HB LYS 11 1HB LYS 11 2.195 8.758 -0.235 88 1HG LYS 11 2HG LYS 11 0.897 10.064 1.240 89 2HG LYS 11 1HG LYS 11 2.553 10.552 1.604 90 1HD LYS 11 2HD LYS 11 1.938 12.275 -0.424 91 2HD LYS 11 1HD LYS 11 0.366 12.099 0.356 92 1HE LYS 11 2HE LYS 11 1.018 13.355 2.110 93 2HE LYS 11 1HE LYS 11 2.473 12.382 2.333 94 1HZ LYS 11 3HZ LYS 11 2.306 14.341 0.137 95 2HZ LYS 11 2HZ LYS 11 2.714 14.846 1.706 96 3HZ LYS 11 1HZ LYS 11 3.682 13.706 0.900 97 H SER 12 H SER 12 3.283 8.563 1.265 98 HA SER 12 HA SER 12 5.807 7.069 0.845 99 1HB SER 12 2HB SER 12 5.204 8.856 3.124 100 2HB SER 12 1HB SER 12 5.848 7.270 3.554 101 HG SER 12 HG SER 12 7.026 9.390 2.205 102 H VAL 13 H VAL 13 5.869 5.130 2.351 103 HA VAL 13 HA VAL 13 3.578 3.521 2.024 104 HB VAL 13 HB VAL 13 5.806 3.303 4.067 105 1HG1 VAL 13 1HG1 VAL 13 3.406 1.660 3.504 106 2HG1 VAL 13 3HG1 VAL 13 4.921 0.766 3.635 107 3HG1 VAL 13 2HG1 VAL 13 4.372 1.775 4.975 108 1HG2 VAL 13 1HG2 VAL 13 6.261 3.257 1.506 109 2HG2 VAL 13 3HG2 VAL 13 6.916 1.946 2.487 110 3HG2 VAL 13 2HG2 VAL 13 5.449 1.691 1.542 111 H GLU 14 H GLU 14 4.475 5.690 4.664 112 HA GLU 14 HA GLU 14 2.788 4.868 6.710 113 1HB GLU 14 2HB GLU 14 3.410 7.657 5.715 114 2HB GLU 14 1HB GLU 14 2.444 7.372 7.164 115 1HG GLU 14 2HG GLU 14 4.753 5.698 7.312 116 2HG GLU 14 1HG GLU 14 5.293 7.329 6.909 117 H GLU 15 H GLU 15 1.722 7.415 4.440 118 HA GLU 15 HA GLU 15 -1.066 7.051 4.950 119 1HB GLU 15 2HB GLU 15 0.569 8.695 3.296 120 2HB GLU 15 1HB GLU 15 -0.644 7.947 2.256 121 1HG GLU 15 2HG GLU 15 -2.024 9.588 2.993 122 2HG GLU 15 1HG GLU 15 -2.128 8.635 4.473 123 H ALA 16 H ALA 16 1.094 5.573 2.531 124 HA ALA 16 HA ALA 16 -0.917 4.339 0.959 125 1HB ALA 16 1HB ALA 16 1.591 4.437 0.493 126 2HB ALA 16 3HB ALA 16 1.758 3.073 1.593 127 3HB ALA 16 2HB ALA 16 0.803 2.905 0.121 128 H LYS 17 H LYS 17 1.101 2.323 3.119 129 HA LYS 17 HA LYS 17 -0.760 0.249 3.398 130 1HB LYS 17 2HB LYS 17 1.559 0.078 4.201 131 2HB LYS 17 1HB LYS 17 1.218 1.263 5.463 132 1HG LYS 17 2HG LYS 17 0.654 -0.485 6.775 133 2HG LYS 17 1HG LYS 17 -0.796 -0.631 5.780 134 1HD LYS 17 2HD LYS 17 1.167 -1.873 4.251 135 2HD LYS 17 1HD LYS 17 1.547 -2.374 5.901 136 1HE LYS 17 2HE LYS 17 -1.315 -2.437 5.043 137 2HE LYS 17 1HE LYS 17 -0.242 -3.697 4.434 138 1HZ LYS 17 2HZ LYS 17 0.251 -3.316 7.173 139 2HZ LYS 17 1HZ LYS 17 -1.420 -3.524 6.952 140 3HZ LYS 17 3HZ LYS 17 -0.339 -4.702 6.388 141 H LYS 18 H LYS 18 -0.583 3.311 5.059 142 HA LYS 18 HA LYS 18 -2.308 2.876 7.238 143 1HB LYS 18 2HB LYS 18 -1.100 4.927 7.093 144 2HB LYS 18 1HB LYS 18 -1.791 5.302 5.509 145 1HG LYS 18 2HG LYS 18 -3.491 6.385 6.512 146 2HG LYS 18 1HG LYS 18 -3.944 4.906 7.361 147 1HD LYS 18 2HD LYS 18 -1.567 6.195 8.496 148 2HD LYS 18 1HD LYS 18 -3.007 7.211 8.568 149 1HE LYS 18 2HE LYS 18 -4.259 5.379 9.638 150 2HE LYS 18 1HE LYS 18 -2.832 4.347 9.552 151 1HZ LYS 18 2HZ LYS 18 -2.308 6.894 10.759 152 2HZ LYS 18 1HZ LYS 18 -3.468 5.993 11.611 153 3HZ LYS 18 3HZ LYS 18 -1.935 5.333 11.316 154 H VAL 19 H VAL 19 -3.463 4.901 4.601 155 HA VAL 19 HA VAL 19 -6.210 4.276 5.061 156 HB VAL 19 HB VAL 19 -5.233 5.180 2.363 157 1HG1 VAL 19 2HG1 VAL 19 -7.666 4.922 2.891 158 2HG1 VAL 19 1HG1 VAL 19 -7.479 6.122 4.170 159 3HG1 VAL 19 3HG1 VAL 19 -7.222 6.580 2.487 160 1HG2 VAL 19 1HG2 VAL 19 -5.012 6.658 4.990 161 2HG2 VAL 19 3HG2 VAL 19 -3.797 6.503 3.718 162 3HG2 VAL 19 2HG2 VAL 19 -5.213 7.530 3.471 163 H ILE 20 H ILE 20 -3.855 2.836 2.856 164 HA ILE 20 HA ILE 20 -5.567 1.347 1.209 165 HB ILE 20 HB ILE 20 -2.843 0.697 2.350 166 1HG1 ILE 20 2HG1 ILE 20 -1.975 1.678 0.483 167 2HG1 ILE 20 1HG1 ILE 20 -3.277 1.112 -0.556 168 1HG2 ILE 20 1HG2 ILE 20 -4.719 -1.064 1.075 169 2HG2 ILE 20 3HG2 ILE 20 -3.357 -0.795 -0.010 170 3HG2 ILE 20 2HG2 ILE 20 -3.077 -1.411 1.618 171 1HD1 ILE 20 2HD1 ILE 20 -4.746 2.891 0.513 172 2HD1 ILE 20 1HD1 ILE 20 -3.292 3.520 1.286 173 3HD1 ILE 20 3HD1 ILE 20 -3.418 3.509 -0.468 174 H LEU 21 H LEU 21 -4.178 0.374 4.376 175 HA LEU 21 HA LEU 21 -5.118 -2.156 4.762 176 1HB LEU 21 2HB LEU 21 -4.059 -1.010 6.596 177 2HB LEU 21 1HB LEU 21 -5.373 0.169 6.687 178 HG LEU 21 HG LEU 21 -6.197 -2.669 6.904 179 1HD1 LEU 21 3HD1 LEU 21 -3.966 -2.288 8.243 180 2HD1 LEU 21 2HD1 LEU 21 -5.009 -1.397 9.352 181 3HD1 LEU 21 1HD1 LEU 21 -5.322 -3.101 9.024 182 1HD2 LEU 21 1HD2 LEU 21 -7.161 -0.055 7.539 183 2HD2 LEU 21 3HD2 LEU 21 -8.007 -1.594 7.702 184 3HD2 LEU 21 2HD2 LEU 21 -7.047 -0.968 9.043 185 H GLN 22 H GLN 22 -7.157 0.703 4.550 186 HA GLN 22 HA GLN 22 -9.489 -1.093 4.237 187 1HB GLN 22 2HB GLN 22 -8.989 0.360 6.625 188 2HB GLN 22 1HB GLN 22 -10.314 1.174 5.793 189 1HG GLN 22 2HG GLN 22 -11.640 -0.807 5.727 190 2HG GLN 22 1HG GLN 22 -10.266 -1.838 6.146 191 1HE2 GLN 22 2HE2 GLN 22 -11.823 -1.615 9.393 192 2HE2 GLN 22 1HE2 GLN 22 -11.804 -2.547 7.974 193 H ASP 23 H ASP 23 -8.433 0.022 2.133 194 HA ASP 23 HA ASP 23 -9.153 2.727 1.533 195 1HB ASP 23 2HB ASP 23 -9.035 1.767 -0.909 196 2HB ASP 23 1HB ASP 23 -7.564 1.861 0.055 197 H LYS 24 H LYS 24 -10.650 -0.282 0.310 198 HA LYS 24 HA LYS 24 -13.201 1.238 0.154 199 1HB LYS 24 2HB LYS 24 -13.513 -1.046 -1.444 200 2HB LYS 24 1HB LYS 24 -13.222 0.590 -2.000 201 1HG LYS 24 2HG LYS 24 -10.747 0.185 -1.700 202 2HG LYS 24 1HG LYS 24 -11.108 -1.512 -1.434 203 1HD LYS 24 2HD LYS 24 -12.051 -0.060 -3.898 204 2HD LYS 24 1HD LYS 24 -10.450 -0.805 -3.809 205 1HE LYS 24 2HE LYS 24 -11.309 -2.867 -4.104 206 2HE LYS 24 1HE LYS 24 -12.516 -2.615 -2.845 207 1HZ LYS 24 2HZ LYS 24 -13.408 -1.047 -4.843 208 2HZ LYS 24 1HZ LYS 24 -12.763 -2.362 -5.702 209 3HZ LYS 24 3HZ LYS 24 -13.960 -2.621 -4.528 210 HA PRO 25 HA PRO 25 -14.597 -2.528 2.477 211 1HB PRO 25 2HB PRO 25 -13.616 -5.042 1.989 212 2HB PRO 25 1HB PRO 25 -14.895 -4.315 1.000 213 1HG PRO 25 2HG PRO 25 -12.060 -4.808 0.302 214 2HG PRO 25 1HG PRO 25 -13.446 -4.549 -0.765 215 1HD PRO 25 2HD PRO 25 -11.429 -2.630 -0.038 216 2HD PRO 25 1HD PRO 25 -12.861 -2.389 -1.044 217 H GLU 26 H GLU 26 -11.496 -4.125 1.888 218 HA GLU 26 HA GLU 26 -10.094 -2.986 4.148 219 1HB GLU 26 2HB GLU 26 -10.652 -5.950 4.340 220 2HB GLU 26 1HB GLU 26 -9.971 -4.878 5.561 221 1HG GLU 26 2HG GLU 26 -12.156 -3.724 5.749 222 2HG GLU 26 1HG GLU 26 -12.831 -4.831 4.549 223 H ALA 27 H ALA 27 -9.154 -2.815 1.728 224 HA ALA 27 HA ALA 27 -7.732 -5.256 0.942 225 1HB ALA 27 2HB ALA 27 -8.065 -2.511 -0.244 226 2HB ALA 27 1HB ALA 27 -6.773 -3.563 -0.822 227 3HB ALA 27 3HB ALA 27 -8.456 -4.078 -0.951 228 H GLN 28 H GLN 28 -5.791 -5.748 1.788 229 HA GLN 28 HA GLN 28 -4.281 -3.701 3.271 230 1HB GLN 28 2HB GLN 28 -4.662 -6.418 3.625 231 2HB GLN 28 1HB GLN 28 -3.036 -6.341 2.939 232 1HG GLN 28 2HG GLN 28 -2.200 -5.091 4.718 233 2HG GLN 28 1HG GLN 28 -3.784 -4.433 5.134 234 1HE2 GLN 28 2HE2 GLN 28 -4.773 -7.604 6.737 235 2HE2 GLN 28 1HE2 GLN 28 -5.405 -6.546 5.571 236 H ILE 29 H ILE 29 -1.770 -3.866 2.898 237 HA ILE 29 HA ILE 29 -1.150 -4.304 0.047 238 HB ILE 29 HB ILE 29 -1.870 -1.946 0.232 239 1HG1 ILE 29 2HG1 ILE 29 1.121 -2.190 -0.175 240 2HG1 ILE 29 1HG1 ILE 29 -0.080 -2.702 -1.363 241 1HG2 ILE 29 3HG2 ILE 29 -0.773 -1.960 2.690 242 2HG2 ILE 29 2HG2 ILE 29 0.576 -1.270 1.785 243 3HG2 ILE 29 1HG2 ILE 29 -1.000 -0.478 1.760 244 1HD1 ILE 29 1HD1 ILE 29 -1.037 -0.292 -1.084 245 2HD1 ILE 29 3HD1 ILE 29 0.544 0.081 -0.395 246 3HD1 ILE 29 2HD1 ILE 29 0.420 -0.511 -2.052 247 H ILE 30 H ILE 30 0.871 -5.076 -0.241 248 HA ILE 30 HA ILE 30 2.577 -5.454 2.136 249 HB ILE 30 HB ILE 30 2.477 -6.546 -0.662 250 1HG1 ILE 30 2HG1 ILE 30 2.756 -7.759 2.104 251 2HG1 ILE 30 1HG1 ILE 30 1.288 -7.714 1.126 252 1HG2 ILE 30 1HG2 ILE 30 4.925 -6.089 0.922 253 2HG2 ILE 30 3HG2 ILE 30 4.721 -7.743 0.343 254 3HG2 ILE 30 2HG2 ILE 30 4.742 -6.402 -0.807 255 1HD1 ILE 30 2HD1 ILE 30 2.736 -8.942 -0.666 256 2HD1 ILE 30 1HD1 ILE 30 3.798 -9.320 0.691 257 3HD1 ILE 30 3HD1 ILE 30 2.121 -9.868 0.703 258 H VAL 31 H VAL 31 4.727 -4.549 2.234 259 HA VAL 31 HA VAL 31 5.118 -2.330 0.274 260 HB VAL 31 HB VAL 31 4.676 -1.450 2.491 261 1HG1 VAL 31 3HG1 VAL 31 6.930 -3.291 3.342 262 2HG1 VAL 31 2HG1 VAL 31 6.221 -2.048 4.372 263 3HG1 VAL 31 1HG1 VAL 31 5.237 -3.405 3.823 264 1HG2 VAL 31 1HG2 VAL 31 6.609 -0.558 0.986 265 2HG2 VAL 31 3HG2 VAL 31 6.545 -0.021 2.666 266 3HG2 VAL 31 2HG2 VAL 31 7.673 -1.290 2.186 267 H LEU 32 H LEU 32 6.981 -2.262 -0.831 268 HA LEU 32 HA LEU 32 9.376 -3.652 0.163 269 1HB LEU 32 2HB LEU 32 9.691 -4.780 -2.095 270 2HB LEU 32 1HB LEU 32 8.442 -5.471 -1.091 271 HG LEU 32 HG LEU 32 8.017 -3.592 -3.413 272 1HD1 LEU 32 1HD1 LEU 32 8.195 -6.507 -3.028 273 2HD1 LEU 32 3HD1 LEU 32 6.734 -5.999 -3.872 274 3HD1 LEU 32 2HD1 LEU 32 8.322 -5.568 -4.512 275 1HD2 LEU 32 2HD2 LEU 32 6.253 -4.605 -1.238 276 2HD2 LEU 32 1HD2 LEU 32 6.086 -3.157 -2.231 277 3HD2 LEU 32 3HD2 LEU 32 5.599 -4.726 -2.871 278 HA PRO 33 HA PRO 33 11.300 -0.249 -1.652 279 1HB PRO 33 2HB PRO 33 13.684 -1.292 -2.525 280 2HB PRO 33 1HB PRO 33 13.298 -1.014 -0.818 281 1HG PRO 33 2HG PRO 33 13.349 -3.589 -2.343 282 2HG PRO 33 1HG PRO 33 13.701 -3.287 -0.629 283 1HD PRO 33 2HD PRO 33 11.300 -4.338 -1.600 284 2HD PRO 33 1HD PRO 33 11.503 -3.587 -0.005 285 H VAL 34 H VAL 34 12.818 -2.496 -3.858 286 HA VAL 34 HA VAL 34 11.035 -2.150 -6.077 287 HB VAL 34 HB VAL 34 12.938 -0.706 -7.316 288 1HG1 VAL 34 3HG1 VAL 34 10.348 -0.271 -6.357 289 2HG1 VAL 34 2HG1 VAL 34 11.270 1.108 -5.761 290 3HG1 VAL 34 1HG1 VAL 34 11.227 0.756 -7.488 291 1HG2 VAL 34 1HG2 VAL 34 14.229 -0.605 -5.111 292 2HG2 VAL 34 3HG2 VAL 34 13.922 0.949 -5.888 293 3HG2 VAL 34 2HG2 VAL 34 12.941 0.441 -4.513 294 H GLY 35 H GLY 35 14.310 -2.665 -4.885 295 1HA GLY 35 2HA GLY 35 15.018 -4.357 -7.190 296 2HA GLY 35 1HA GLY 35 16.067 -3.951 -5.830 297 H THR 36 H THR 36 15.918 -5.176 -3.905 298 HA THR 36 HA THR 36 15.502 -7.925 -4.100 299 HB THR 36 HB THR 36 16.611 -7.272 -2.150 300 HG1 THR 36 HG1 THR 36 15.214 -7.857 -0.436 301 1HG2 THR 36 2HG2 THR 36 14.420 -5.212 -1.933 302 2HG2 THR 36 1HG2 THR 36 15.462 -5.583 -0.558 303 3HG2 THR 36 3HG2 THR 36 16.161 -4.956 -2.051 304 H ILE 37 H ILE 37 13.693 -9.138 -4.374 305 HA ILE 37 HA ILE 37 11.053 -7.871 -4.202 306 HB ILE 37 HB ILE 37 11.585 -9.498 -6.001 307 1HG1 ILE 37 2HG1 ILE 37 9.521 -10.734 -4.175 308 2HG1 ILE 37 1HG1 ILE 37 9.241 -9.176 -4.951 309 1HG2 ILE 37 1HG2 ILE 37 12.766 -10.933 -3.919 310 2HG2 ILE 37 3HG2 ILE 37 11.328 -11.871 -4.318 311 3HG2 ILE 37 2HG2 ILE 37 12.520 -11.511 -5.567 312 1HD1 ILE 37 3HD1 ILE 37 10.187 -10.747 -7.028 313 2HD1 ILE 37 2HD1 ILE 37 9.182 -11.865 -6.106 314 3HD1 ILE 37 1HD1 ILE 37 8.492 -10.364 -6.723 315 H VAL 38 H VAL 38 9.289 -8.970 -2.916 316 HA VAL 38 HA VAL 38 10.215 -9.384 -0.183 317 HB VAL 38 HB VAL 38 7.993 -8.277 -1.024 318 1HG1 VAL 38 1HG1 VAL 38 7.547 -10.776 -2.058 319 2HG1 VAL 38 3HG1 VAL 38 6.685 -10.877 -0.524 320 3HG1 VAL 38 2HG1 VAL 38 6.274 -9.614 -1.685 321 1HG2 VAL 38 3HG2 VAL 38 8.839 -9.441 1.386 322 2HG2 VAL 38 2HG2 VAL 38 7.528 -8.280 1.181 323 3HG2 VAL 38 1HG2 VAL 38 7.185 -10.009 1.163 324 H THR 39 H THR 39 9.165 -11.362 1.031 325 HA THR 39 HA THR 39 10.075 -13.765 -0.428 326 HB THR 39 HB THR 39 9.853 -14.878 1.782 327 HG1 THR 39 HG1 THR 39 9.084 -12.299 2.672 328 1HG2 THR 39 3HG2 THR 39 11.883 -13.482 1.073 329 2HG2 THR 39 2HG2 THR 39 11.252 -12.226 2.138 330 3HG2 THR 39 1HG2 THR 39 11.709 -13.797 2.799 331 1H GLU 41 2H GLU 41 -11.721 -9.842 -11.508 332 2H GLU 41 1H GLU 41 -10.206 -9.204 -11.933 333 3H GLU 41 3H GLU 41 -10.493 -10.869 -12.078 334 HA GLU 41 HA GLU 41 -10.113 -11.279 -9.922 335 1HB GLU 41 2HB GLU 41 -8.941 -8.505 -10.273 336 2HB GLU 41 1HB GLU 41 -8.591 -9.546 -8.893 337 1HG GLU 41 2HG GLU 41 -7.036 -10.637 -10.095 338 2HG GLU 41 1HG GLU 41 -8.261 -11.088 -11.282 339 H TYR 42 H TYR 42 -10.489 -10.638 -7.612 340 HA TYR 42 HA TYR 42 -13.001 -9.067 -7.430 341 1HB TYR 42 2HB TYR 42 -12.974 -10.150 -5.046 342 2HB TYR 42 1HB TYR 42 -13.357 -11.149 -6.437 343 HD1 TYR 42 HD1 TYR 42 -9.996 -9.900 -5.321 344 HD2 TYR 42 HD2 TYR 42 -12.593 -13.269 -5.887 345 HE1 TYR 42 HE1 TYR 42 -8.124 -11.425 -4.799 346 HE2 TYR 42 HE2 TYR 42 -10.719 -14.799 -5.370 347 HH TYR 42 HH TYR 42 -7.657 -13.610 -4.162 348 H ARG 43 H ARG 43 -11.747 -9.142 -4.346 349 HA ARG 43 HA ARG 43 -10.387 -6.509 -4.739 350 1HB ARG 43 2HB ARG 43 -11.429 -5.663 -2.764 351 2HB ARG 43 1HB ARG 43 -12.721 -6.432 -3.687 352 1HG ARG 43 2HG ARG 43 -11.847 -8.548 -2.215 353 2HG ARG 43 1HG ARG 43 -11.519 -7.226 -1.093 354 1HD ARG 43 2HD ARG 43 -14.064 -6.682 -2.182 355 2HD ARG 43 1HD ARG 43 -14.061 -8.407 -1.819 356 HE ARG 43 HE ARG 43 -12.965 -6.920 0.390 357 1HH1 ARG 43 1HH2 ARG 43 -15.912 -7.093 -1.341 358 2HH1 ARG 43 2HH2 ARG 43 -16.906 -7.192 0.074 359 1HH2 ARG 43 2HH1 ARG 43 -14.227 -7.317 2.272 360 2HH2 ARG 43 1HH1 ARG 43 -15.953 -7.319 2.118 361 H ILE 44 H ILE 44 -8.688 -8.573 -4.798 362 HA ILE 44 HA ILE 44 -7.855 -9.879 -2.500 363 HB ILE 44 HB ILE 44 -6.603 -10.201 -4.546 364 1HG1 ILE 44 2HG1 ILE 44 -4.338 -9.012 -3.256 365 2HG1 ILE 44 1HG1 ILE 44 -5.435 -9.604 -2.003 366 1HG2 ILE 44 1HG2 ILE 44 -5.758 -7.305 -4.202 367 2HG2 ILE 44 3HG2 ILE 44 -5.158 -8.404 -5.445 368 3HG2 ILE 44 2HG2 ILE 44 -6.852 -7.914 -5.444 369 1HD1 ILE 44 3HD1 ILE 44 -5.165 -11.483 -4.232 370 2HD1 ILE 44 2HD1 ILE 44 -3.625 -11.153 -3.438 371 3HD1 ILE 44 1HD1 ILE 44 -4.988 -11.764 -2.500 372 H ASP 45 H ASP 45 -6.911 -9.282 -0.580 373 HA ASP 45 HA ASP 45 -6.811 -6.382 -0.080 374 1HB ASP 45 2HB ASP 45 -7.179 -6.892 2.167 375 2HB ASP 45 1HB ASP 45 -7.956 -8.259 1.370 376 H ARG 46 H ARG 46 -4.775 -7.195 -1.737 377 HA ARG 46 HA ARG 46 -2.422 -6.579 -0.057 378 1HB ARG 46 2HB ARG 46 -2.444 -9.047 -0.167 379 2HB ARG 46 1HB ARG 46 -2.525 -8.972 -1.926 380 1HG ARG 46 2HG ARG 46 -0.354 -7.735 -1.931 381 2HG ARG 46 1HG ARG 46 -0.265 -7.954 -0.182 382 1HD ARG 46 2HD ARG 46 0.819 -9.887 -0.669 383 2HD ARG 46 1HD ARG 46 -0.788 -10.510 -1.053 384 HE ARG 46 HE ARG 46 0.720 -9.172 -3.230 385 1HH1 ARG 46 2HH1 ARG 46 0.203 -12.123 -1.591 386 2HH1 ARG 46 1HH1 ARG 46 0.064 -13.072 -3.033 387 1HH2 ARG 46 1HH2 ARG 46 0.234 -10.342 -5.164 388 2HH2 ARG 46 2HH2 ARG 46 0.084 -12.063 -5.056 389 H VAL 47 H VAL 47 -0.831 -5.443 -1.231 390 HA VAL 47 HA VAL 47 -1.099 -5.152 -4.152 391 HB VAL 47 HB VAL 47 -0.931 -2.490 -3.007 392 1HG1 VAL 47 3HG1 VAL 47 -1.523 -3.199 -5.351 393 2HG1 VAL 47 2HG1 VAL 47 -3.081 -3.738 -4.726 394 3HG1 VAL 47 1HG1 VAL 47 -2.635 -2.034 -4.634 395 1HG2 VAL 47 1HG2 VAL 47 -3.353 -4.157 -2.266 396 2HG2 VAL 47 3HG2 VAL 47 -2.270 -3.312 -1.162 397 3HG2 VAL 47 2HG2 VAL 47 -3.325 -2.395 -2.236 398 H ARG 48 H ARG 48 0.863 -4.471 -5.106 399 HA ARG 48 HA ARG 48 3.207 -4.683 -3.381 400 1HB ARG 48 2HB ARG 48 2.918 -3.989 -6.314 401 2HB ARG 48 1HB ARG 48 4.473 -4.165 -5.501 402 1HG ARG 48 2HG ARG 48 2.339 -6.306 -5.815 403 2HG ARG 48 1HG ARG 48 3.897 -6.256 -6.632 404 1HD ARG 48 2HD ARG 48 4.904 -7.255 -4.885 405 2HD ARG 48 1HD ARG 48 4.282 -6.044 -3.767 406 HE ARG 48 HE ARG 48 2.408 -7.476 -3.314 407 1HH1 ARG 48 1HH2 ARG 48 2.635 -8.437 -6.346 408 2HH1 ARG 48 2HH2 ARG 48 2.815 -10.136 -6.066 409 1HH2 ARG 48 2HH1 ARG 48 3.466 -9.781 -2.681 410 2HH2 ARG 48 1HH1 ARG 48 3.288 -10.895 -3.995 411 H LEU 49 H LEU 49 3.875 -2.970 -2.167 412 HA LEU 49 HA LEU 49 3.424 -0.256 -3.317 413 1HB LEU 49 2HB LEU 49 2.375 -0.413 -1.149 414 2HB LEU 49 1HB LEU 49 3.834 -1.110 -0.440 415 HG LEU 49 HG LEU 49 4.998 0.916 -0.499 416 1HD1 LEU 49 1HD1 LEU 49 3.144 1.588 -2.774 417 2HD1 LEU 49 3HD1 LEU 49 3.977 2.883 -1.917 418 3HD1 LEU 49 2HD1 LEU 49 4.907 1.626 -2.736 419 1HD2 LEU 49 3HD2 LEU 49 2.121 1.215 0.137 420 2HD2 LEU 49 2HD2 LEU 49 3.537 1.566 1.128 421 3HD2 LEU 49 1HD2 LEU 49 3.008 2.722 -0.095 422 H PHE 50 H PHE 50 5.307 -0.564 -4.654 423 HA PHE 50 HA PHE 50 7.921 -1.087 -3.594 424 1HB PHE 50 2HB PHE 50 6.805 0.127 -6.104 425 2HB PHE 50 1HB PHE 50 8.553 0.168 -5.817 426 HD1 PHE 50 HD1 PHE 50 6.458 -2.542 -4.496 427 HD2 PHE 50 HD2 PHE 50 9.011 -1.311 -7.720 428 HE1 PHE 50 HE1 PHE 50 6.568 -4.869 -5.297 429 HE2 PHE 50 HE2 PHE 50 9.137 -3.654 -8.514 430 HZ PHE 50 HZ PHE 50 7.914 -5.440 -7.302 431 H VAL 51 H VAL 51 9.409 1.197 -4.575 432 HA VAL 51 HA VAL 51 8.339 3.535 -3.130 433 HB VAL 51 HB VAL 51 10.319 3.781 -1.711 434 1HG1 VAL 51 2HG1 VAL 51 8.273 2.282 -1.093 435 2HG1 VAL 51 1HG1 VAL 51 9.409 0.948 -1.288 436 3HG1 VAL 51 3HG1 VAL 51 9.722 2.204 -0.090 437 1HG2 VAL 51 1HG2 VAL 51 11.191 1.394 -3.288 438 2HG2 VAL 51 3HG2 VAL 51 12.125 2.799 -2.776 439 3HG2 VAL 51 2HG2 VAL 51 11.733 1.533 -1.615 440 H ASP 52 H ASP 52 10.496 5.184 -3.137 441 HA ASP 52 HA ASP 52 11.461 5.085 -5.962 442 1HB ASP 52 2HB ASP 52 10.990 7.330 -6.303 443 2HB ASP 52 1HB ASP 52 9.669 6.897 -5.226 444 H LYS 53 H LYS 53 13.055 7.492 -5.522 445 HA LYS 53 HA LYS 53 15.499 6.336 -4.670 446 1HB LYS 53 2HB LYS 53 14.775 9.263 -4.640 447 2HB LYS 53 1HB LYS 53 16.365 8.556 -4.940 448 1HG LYS 53 2HG LYS 53 15.260 7.398 -6.961 449 2HG LYS 53 1HG LYS 53 13.919 8.522 -6.723 450 1HD LYS 53 2HD LYS 53 15.415 9.516 -8.337 451 2HD LYS 53 1HD LYS 53 15.598 10.409 -6.828 452 1HE LYS 53 2HE LYS 53 17.671 9.399 -6.339 453 2HE LYS 53 1HE LYS 53 17.393 8.073 -7.467 454 1HZ LYS 53 1HZ LYS 53 17.240 10.249 -9.055 455 2HZ LYS 53 3HZ LYS 53 18.445 10.708 -7.954 456 3HZ LYS 53 2HZ LYS 53 18.624 9.283 -8.859 457 H LEU 54 H LEU 54 13.612 8.915 -3.047 458 HA LEU 54 HA LEU 54 14.912 8.188 -0.481 459 1HB LEU 54 2HB LEU 54 14.625 10.603 -1.402 460 2HB LEU 54 1HB LEU 54 12.949 10.435 -0.876 461 HG LEU 54 HG LEU 54 14.155 9.549 1.351 462 1HD1 LEU 54 2HD1 LEU 54 16.231 10.963 -0.208 463 2HD1 LEU 54 1HD1 LEU 54 16.075 11.492 1.465 464 3HD1 LEU 54 3HD1 LEU 54 16.407 9.799 1.105 465 1HD2 LEU 54 1HD2 LEU 54 13.591 12.381 0.460 466 2HD2 LEU 54 3HD2 LEU 54 12.604 11.337 1.481 467 3HD2 LEU 54 2HD2 LEU 54 14.103 12.019 2.108 468 H ASP 55 H ASP 55 13.152 6.215 -1.296 469 HA ASP 55 HA ASP 55 11.151 5.109 -0.721 470 1HB ASP 55 2HB ASP 55 10.780 6.135 1.922 471 2HB ASP 55 1HB ASP 55 11.440 4.568 1.440 472 H ASN 56 H ASN 56 10.221 6.860 -2.258 473 HA ASN 56 HA ASN 56 8.003 8.225 -0.817 474 1HB ASN 56 2HB ASN 56 9.330 10.090 -1.337 475 2HB ASN 56 1HB ASN 56 9.918 9.372 -2.835 476 1HD2 ASN 56 2HD2 ASN 56 7.598 11.618 -4.346 477 2HD2 ASN 56 1HD2 ASN 56 9.234 11.362 -3.981 478 H ILE 57 H ILE 57 6.317 7.052 -1.420 479 HA ILE 57 HA ILE 57 5.865 5.245 -3.348 480 HB ILE 57 HB ILE 57 3.813 7.414 -2.917 481 1HG1 ILE 57 2HG1 ILE 57 4.615 6.896 -0.714 482 2HG1 ILE 57 1HG1 ILE 57 3.124 5.982 -0.935 483 1HG2 ILE 57 2HG2 ILE 57 3.836 4.567 -3.804 484 2HG2 ILE 57 1HG2 ILE 57 2.460 5.120 -2.849 485 3HG2 ILE 57 3HG2 ILE 57 2.850 5.913 -4.375 486 1HD1 ILE 57 3HD1 ILE 57 5.156 4.322 -1.938 487 2HD1 ILE 57 2HD1 ILE 57 5.803 4.998 -0.444 488 3HD1 ILE 57 1HD1 ILE 57 4.274 4.120 -0.426 489 H ALA 58 H ALA 58 7.164 5.681 -5.189 490 HA ALA 58 HA ALA 58 6.357 7.919 -6.953 491 1HB ALA 58 3HB ALA 58 8.654 6.041 -6.786 492 2HB ALA 58 2HB ALA 58 8.165 6.510 -8.414 493 3HB ALA 58 1HB ALA 58 8.628 7.745 -7.243 494 H GLN 59 H GLN 59 5.888 4.519 -6.502 495 HA GLN 59 HA GLN 59 4.338 4.402 -9.060 496 1HB GLN 59 2HB GLN 59 6.498 2.815 -8.386 497 2HB GLN 59 1HB GLN 59 5.126 1.824 -7.882 498 1HG GLN 59 2HG GLN 59 4.251 2.758 -10.301 499 2HG GLN 59 1HG GLN 59 5.983 2.607 -10.596 500 1HE2 GLN 59 2HE2 GLN 59 5.988 -0.964 -10.260 501 2HE2 GLN 59 1HE2 GLN 59 6.966 0.418 -10.131 502 H VAL 60 H VAL 60 2.343 4.946 -8.172 503 HA VAL 60 HA VAL 60 1.314 4.123 -5.677 504 HB VAL 60 HB VAL 60 0.100 5.041 -8.264 505 1HG1 VAL 60 1HG1 VAL 60 -1.389 3.901 -5.894 506 2HG1 VAL 60 3HG1 VAL 60 -2.132 5.051 -7.004 507 3HG1 VAL 60 2HG1 VAL 60 -1.578 3.483 -7.594 508 1HG2 VAL 60 2HG2 VAL 60 0.112 6.060 -5.406 509 2HG2 VAL 60 1HG2 VAL 60 1.080 6.683 -6.742 510 3HG2 VAL 60 3HG2 VAL 60 -0.672 6.872 -6.761 511 HA PRO 61 HA PRO 61 0.496 -0.174 -6.446 512 1HB PRO 61 2HB PRO 61 -0.957 -0.614 -4.152 513 2HB PRO 61 1HB PRO 61 0.811 -0.500 -4.181 514 1HG PRO 61 2HG PRO 61 -1.184 1.503 -3.220 515 2HG PRO 61 1HG PRO 61 0.494 1.255 -2.709 516 1HD PRO 61 2HD PRO 61 -0.411 3.285 -4.447 517 2HD PRO 61 1HD PRO 61 1.281 2.792 -4.219 518 H ARG 62 H ARG 62 -1.610 -1.618 -6.450 519 HA ARG 62 HA ARG 62 -4.092 -0.053 -6.811 520 1HB ARG 62 2HB ARG 62 -2.454 -0.711 -9.020 521 2HB ARG 62 1HB ARG 62 -3.838 -1.805 -9.083 522 1HG ARG 62 2HG ARG 62 -4.662 0.062 -10.221 523 2HG ARG 62 1HG ARG 62 -5.226 0.367 -8.577 524 1HD ARG 62 2HD ARG 62 -3.918 2.199 -8.364 525 2HD ARG 62 1HD ARG 62 -2.514 1.366 -9.034 526 HE ARG 62 HE ARG 62 -4.603 2.740 -10.664 527 1HH1 ARG 62 2HH1 ARG 62 -1.362 2.688 -9.956 528 2HH1 ARG 62 1HH1 ARG 62 -0.805 2.604 -11.594 529 1HH2 ARG 62 1HH2 ARG 62 -3.957 2.029 -12.917 530 2HH2 ARG 62 2HH2 ARG 62 -2.274 2.232 -13.269 531 H VAL 63 H VAL 63 -5.871 -1.235 -6.253 532 HA VAL 63 HA VAL 63 -5.540 -4.198 -5.974 533 HB VAL 63 HB VAL 63 -6.725 -2.157 -4.105 534 1HG1 VAL 63 2HG1 VAL 63 -8.506 -3.846 -4.531 535 2HG1 VAL 63 1HG1 VAL 63 -7.375 -5.122 -4.084 536 3HG1 VAL 63 3HG1 VAL 63 -7.887 -3.936 -2.880 537 1HG2 VAL 63 1HG2 VAL 63 -4.930 -4.582 -3.780 538 2HG2 VAL 63 3HG2 VAL 63 -4.433 -2.892 -3.703 539 3HG2 VAL 63 2HG2 VAL 63 -5.476 -3.562 -2.450 540 H GLY 64 H GLY 64 -6.796 -5.072 -7.563 541 1HA GLY 64 2HA GLY 64 -8.913 -3.747 -8.913 542 2HA GLY 64 1HA GLY 64 -8.677 -5.495 -8.903 No H/Q in entry = 542 Start of MODEL 17 Raw file had 552 H/Q atoms Start of MODEL 17 1 1H MET 1 1H MET 1 -12.896 6.219 -4.355 2 2H MET 1 3H MET 1 -13.864 6.176 -5.747 3 3H MET 1 2H MET 1 -14.415 5.458 -4.309 4 HA MET 1 HA MET 1 -13.272 3.579 -4.628 5 1HB MET 1 2HB MET 1 -14.425 3.819 -6.754 6 2HB MET 1 1HB MET 1 -13.135 4.848 -7.378 7 1HG MET 1 2HG MET 1 -11.757 3.084 -7.801 8 2HG MET 1 1HG MET 1 -12.244 2.227 -6.339 9 1HE MET 1 1HE MET 1 -13.660 3.900 -9.191 10 2HE MET 1 3HE MET 1 -13.972 2.632 -10.384 11 3HE MET 1 2HE MET 1 -15.256 3.162 -9.301 12 H LYS 2 H LYS 2 -11.409 4.140 -3.268 13 HA LYS 2 HA LYS 2 -9.007 5.146 -4.660 14 1HB LYS 2 2HB LYS 2 -9.813 4.701 -1.829 15 2HB LYS 2 1HB LYS 2 -8.095 4.548 -2.198 16 1HG LYS 2 2HG LYS 2 -9.256 6.867 -3.518 17 2HG LYS 2 1HG LYS 2 -9.499 6.937 -1.772 18 1HD LYS 2 2HD LYS 2 -6.799 6.139 -2.783 19 2HD LYS 2 1HD LYS 2 -7.253 7.839 -2.886 20 1HE LYS 2 2HE LYS 2 -8.009 6.795 -0.307 21 2HE LYS 2 1HE LYS 2 -6.305 6.457 -0.607 22 1HZ LYS 2 3HZ LYS 2 -7.341 9.121 -1.256 23 2HZ LYS 2 2HZ LYS 2 -7.064 8.738 0.377 24 3HZ LYS 2 1HZ LYS 2 -5.790 8.659 -0.746 25 H THR 3 H THR 3 -9.771 2.752 -5.783 26 HA THR 3 HA THR 3 -8.197 0.580 -4.512 27 HB THR 3 HB THR 3 -9.317 0.268 -7.258 28 HG1 THR 3 HG1 THR 3 -10.789 0.997 -5.019 29 1HG2 THR 3 2HG2 THR 3 -8.263 -1.425 -5.432 30 2HG2 THR 3 1HG2 THR 3 -9.969 -1.546 -5.002 31 3HG2 THR 3 3HG2 THR 3 -9.443 -1.930 -6.642 32 H GLU 4 H GLU 4 -7.142 3.182 -5.819 33 HA GLU 4 HA GLU 4 -5.062 1.818 -7.461 34 1HB GLU 4 2HB GLU 4 -6.630 4.325 -8.114 35 2HB GLU 4 1HB GLU 4 -5.062 3.995 -8.848 36 1HG GLU 4 2HG GLU 4 -6.036 1.704 -9.510 37 2HG GLU 4 1HG GLU 4 -7.610 2.386 -9.095 38 H TRP 5 H TRP 5 -6.011 4.675 -5.599 39 HA TRP 5 HA TRP 5 -4.726 6.080 -4.230 40 1HB TRP 5 2HB TRP 5 -2.645 3.891 -4.515 41 2HB TRP 5 1HB TRP 5 -2.650 5.171 -3.300 42 HD1 TRP 5 HD1 TRP 5 -4.960 5.178 -1.685 43 HE1 TRP 5 HE1 TRP 5 -6.153 3.144 -0.655 44 HE3 TRP 5 HE3 TRP 5 -3.187 1.470 -4.734 45 HZ2 TRP 5 HZ2 TRP 5 -6.336 0.332 -1.058 46 HZ3 TRP 5 HZ3 TRP 5 -3.888 -0.878 -4.372 47 HH2 TRP 5 HH2 TRP 5 -5.453 -1.447 -2.540 48 HA PRO 6 HA PRO 6 -2.023 6.913 -8.041 49 1HB PRO 6 2HB PRO 6 -3.709 8.504 -9.527 50 2HB PRO 6 1HB PRO 6 -3.558 6.755 -9.777 51 1HG PRO 6 2HG PRO 6 -5.747 8.277 -8.422 52 2HG PRO 6 1HG PRO 6 -5.826 6.742 -9.304 53 1HD PRO 6 2HD PRO 6 -5.811 6.991 -6.508 54 2HD PRO 6 1HD PRO 6 -5.426 5.519 -7.413 55 H GLU 7 H GLU 7 -4.437 8.713 -6.358 56 HA GLU 7 HA GLU 7 -3.084 11.292 -6.475 57 1HB GLU 7 2HB GLU 7 -4.820 10.552 -4.152 58 2HB GLU 7 1HB GLU 7 -4.761 12.061 -5.063 59 1HG GLU 7 2HG GLU 7 -5.600 10.415 -7.024 60 2HG GLU 7 1HG GLU 7 -6.278 9.568 -5.635 61 H LEU 8 H LEU 8 -2.457 8.346 -4.921 62 HA LEU 8 HA LEU 8 -1.225 9.473 -2.535 63 1HB LEU 8 2HB LEU 8 -2.296 7.125 -2.826 64 2HB LEU 8 1HB LEU 8 -0.774 6.686 -3.601 65 HG LEU 8 HG LEU 8 0.477 7.183 -1.613 66 1HD1 LEU 8 3HD1 LEU 8 -2.047 8.589 -0.845 67 2HD1 LEU 8 2HD1 LEU 8 -1.062 7.899 0.445 68 3HD1 LEU 8 1HD1 LEU 8 -0.375 9.104 -0.642 69 1HD2 LEU 8 1HD2 LEU 8 -1.844 5.407 -1.523 70 2HD2 LEU 8 3HD2 LEU 8 -0.193 5.118 -0.972 71 3HD2 LEU 8 2HD2 LEU 8 -1.346 5.936 0.083 72 H VAL 9 H VAL 9 -0.338 9.449 -5.726 73 HA VAL 9 HA VAL 9 2.352 8.606 -5.743 74 HB VAL 9 HB VAL 9 0.936 10.833 -7.232 75 1HG1 VAL 9 1HG1 VAL 9 3.429 11.326 -6.882 76 2HG1 VAL 9 3HG1 VAL 9 3.746 9.862 -7.820 77 3HG1 VAL 9 2HG1 VAL 9 2.896 11.215 -8.563 78 1HG2 VAL 9 2HG2 VAL 9 1.846 8.025 -7.841 79 2HG2 VAL 9 1HG2 VAL 9 0.253 8.746 -8.067 80 3HG2 VAL 9 3HG2 VAL 9 1.578 9.184 -9.144 81 H GLY 10 H GLY 10 4.310 9.744 -5.404 82 1HA GLY 10 2HA GLY 10 5.730 11.238 -4.312 83 2HA GLY 10 1HA GLY 10 4.451 12.434 -4.503 84 H LYS 11 H LYS 11 3.198 9.759 -2.863 85 HA LYS 11 HA LYS 11 3.376 11.266 -0.319 86 1HB LYS 11 2HB LYS 11 1.265 10.009 -1.469 87 2HB LYS 11 1HB LYS 11 1.864 8.717 -0.426 88 1HG LYS 11 2HG LYS 11 0.532 9.789 1.110 89 2HG LYS 11 1HG LYS 11 1.993 10.754 1.322 90 1HD LYS 11 2HD LYS 11 -0.303 11.442 -0.538 91 2HD LYS 11 1HD LYS 11 0.002 12.194 1.028 92 1HE LYS 11 2HE LYS 11 2.247 12.912 0.198 93 2HE LYS 11 1HE LYS 11 1.831 12.260 -1.387 94 1HZ LYS 11 2HZ LYS 11 -0.073 13.753 -1.455 95 2HZ LYS 11 1HZ LYS 11 0.359 14.395 0.057 96 3HZ LYS 11 3HZ LYS 11 1.378 14.621 -1.279 97 H SER 12 H SER 12 2.900 8.645 1.153 98 HA SER 12 HA SER 12 5.520 7.315 0.825 99 1HB SER 12 2HB SER 12 4.765 9.096 3.091 100 2HB SER 12 1HB SER 12 5.682 7.635 3.467 101 HG SER 12 HG SER 12 6.752 9.790 2.758 102 H VAL 13 H VAL 13 5.682 5.626 2.762 103 HA VAL 13 HA VAL 13 3.560 3.764 2.417 104 HB VAL 13 HB VAL 13 5.709 3.970 4.539 105 1HG1 VAL 13 3HG1 VAL 13 3.705 2.683 5.313 106 2HG1 VAL 13 2HG1 VAL 13 3.889 1.625 3.915 107 3HG1 VAL 13 1HG1 VAL 13 5.147 1.681 5.150 108 1HG2 VAL 13 1HG2 VAL 13 5.822 3.324 1.830 109 2HG2 VAL 13 3HG2 VAL 13 7.034 2.908 3.042 110 3HG2 VAL 13 2HG2 VAL 13 5.766 1.753 2.631 111 H GLU 14 H GLU 14 4.133 6.213 4.906 112 HA GLU 14 HA GLU 14 2.314 5.438 6.865 113 1HB GLU 14 2HB GLU 14 1.790 8.044 6.922 114 2HB GLU 14 1HB GLU 14 3.369 7.430 7.415 115 1HG GLU 14 2HG GLU 14 3.208 7.865 4.529 116 2HG GLU 14 1HG GLU 14 2.907 9.343 5.445 117 H GLU 15 H GLU 15 1.333 7.871 4.443 118 HA GLU 15 HA GLU 15 -1.448 7.414 4.735 119 1HB GLU 15 2HB GLU 15 -0.282 9.366 3.570 120 2HB GLU 15 1HB GLU 15 -0.120 8.308 2.169 121 1HG GLU 15 2HG GLU 15 -2.465 8.131 1.885 122 2HG GLU 15 1HG GLU 15 -2.790 8.736 3.510 123 H ALA 16 H ALA 16 0.947 5.743 2.724 124 HA ALA 16 HA ALA 16 -0.980 4.408 1.061 125 1HB ALA 16 1HB ALA 16 1.822 4.482 1.256 126 2HB ALA 16 3HB ALA 16 1.383 2.796 1.536 127 3HB ALA 16 2HB ALA 16 0.868 3.606 0.058 128 H LYS 17 H LYS 17 1.064 2.570 3.338 129 HA LYS 17 HA LYS 17 -0.671 0.426 3.685 130 1HB LYS 17 2HB LYS 17 1.693 1.231 4.873 131 2HB LYS 17 1HB LYS 17 0.556 1.266 6.222 132 1HG LYS 17 2HG LYS 17 0.801 -1.088 4.334 133 2HG LYS 17 1HG LYS 17 1.703 -0.967 5.845 134 1HD LYS 17 2HD LYS 17 -1.317 -0.919 5.565 135 2HD LYS 17 1HD LYS 17 -0.353 -2.251 6.207 136 1HE LYS 17 2HE LYS 17 0.567 -0.373 7.835 137 2HE LYS 17 1HE LYS 17 -0.960 0.413 7.438 138 1HZ LYS 17 2HZ LYS 17 -0.885 -2.422 8.255 139 2HZ LYS 17 1HZ LYS 17 -0.893 -1.183 9.420 140 3HZ LYS 17 3HZ LYS 17 -2.180 -1.325 8.326 141 H LYS 18 H LYS 18 -0.860 3.619 5.080 142 HA LYS 18 HA LYS 18 -2.780 3.118 7.128 143 1HB LYS 18 2HB LYS 18 -1.494 5.204 6.977 144 2HB LYS 18 1HB LYS 18 -2.323 5.620 5.474 145 1HG LYS 18 2HG LYS 18 -4.296 4.969 7.451 146 2HG LYS 18 1HG LYS 18 -3.169 6.127 8.156 147 1HD LYS 18 2HD LYS 18 -3.553 7.159 5.631 148 2HD LYS 18 1HD LYS 18 -5.146 6.508 6.020 149 1HE LYS 18 2HE LYS 18 -4.846 7.683 8.308 150 2HE LYS 18 1HE LYS 18 -3.561 8.593 7.512 151 1HZ LYS 18 3HZ LYS 18 -6.103 8.384 6.102 152 2HZ LYS 18 2HZ LYS 18 -6.079 9.368 7.485 153 3HZ LYS 18 1HZ LYS 18 -5.019 9.682 6.195 154 H VAL 19 H VAL 19 -3.649 5.098 4.315 155 HA VAL 19 HA VAL 19 -6.401 4.472 4.428 156 HB VAL 19 HB VAL 19 -4.970 5.105 1.842 157 1HG1 VAL 19 1HG1 VAL 19 -7.697 5.059 2.808 158 2HG1 VAL 19 3HG1 VAL 19 -7.269 6.684 2.273 159 3HG1 VAL 19 2HG1 VAL 19 -7.109 5.319 1.167 160 1HG2 VAL 19 1HG2 VAL 19 -5.467 6.878 4.242 161 2HG2 VAL 19 3HG2 VAL 19 -3.962 6.656 3.351 162 3HG2 VAL 19 2HG2 VAL 19 -5.299 7.544 2.619 163 H ILE 20 H ILE 20 -3.893 3.072 2.307 164 HA ILE 20 HA ILE 20 -5.417 1.262 0.861 165 HB ILE 20 HB ILE 20 -2.704 0.725 2.103 166 1HG1 ILE 20 2HG1 ILE 20 -3.284 1.697 -0.697 167 2HG1 ILE 20 1HG1 ILE 20 -3.065 2.829 0.638 168 1HG2 ILE 20 1HG2 ILE 20 -4.432 -0.726 0.173 169 2HG2 ILE 20 3HG2 ILE 20 -2.731 -0.587 -0.268 170 3HG2 ILE 20 2HG2 ILE 20 -3.187 -1.346 1.257 171 1HD1 ILE 20 1HD1 ILE 20 -0.926 1.190 1.023 172 2HD1 ILE 20 3HD1 ILE 20 -1.073 1.122 -0.734 173 3HD1 ILE 20 2HD1 ILE 20 -0.861 2.675 0.074 174 H LEU 21 H LEU 21 -3.804 0.457 3.968 175 HA LEU 21 HA LEU 21 -4.608 -2.037 4.577 176 1HB LEU 21 2HB LEU 21 -3.550 -0.764 6.297 177 2HB LEU 21 1HB LEU 21 -4.872 0.406 6.340 178 HG LEU 21 HG LEU 21 -6.389 -1.275 7.236 179 1HD1 LEU 21 2HD1 LEU 21 -5.335 -3.188 5.970 180 2HD1 LEU 21 1HD1 LEU 21 -4.042 -3.193 7.168 181 3HD1 LEU 21 3HD1 LEU 21 -5.697 -3.556 7.656 182 1HD2 LEU 21 1HD2 LEU 21 -4.196 -0.204 8.578 183 2HD2 LEU 21 3HD2 LEU 21 -5.596 -0.962 9.337 184 3HD2 LEU 21 2HD2 LEU 21 -4.148 -1.914 9.008 185 H GLN 22 H GLN 22 -6.880 0.688 4.474 186 HA GLN 22 HA GLN 22 -9.034 -1.359 4.417 187 1HB GLN 22 2HB GLN 22 -8.613 0.567 6.484 188 2HB GLN 22 1HB GLN 22 -10.073 1.019 5.603 189 1HG GLN 22 2HG GLN 22 -11.229 -0.772 6.378 190 2HG GLN 22 1HG GLN 22 -9.877 -1.874 6.098 191 1HE2 GLN 22 2HE2 GLN 22 -8.652 -1.646 9.423 192 2HE2 GLN 22 1HE2 GLN 22 -8.347 -2.202 7.848 193 H ASP 23 H ASP 23 -8.970 2.215 4.225 194 HA ASP 23 HA ASP 23 -10.048 3.584 2.622 195 1HB ASP 23 2HB ASP 23 -7.984 3.296 1.441 196 2HB ASP 23 1HB ASP 23 -8.394 1.641 0.989 197 H LYS 24 H LYS 24 -10.137 0.924 0.358 198 HA LYS 24 HA LYS 24 -12.991 1.154 0.056 199 1HB LYS 24 2HB LYS 24 -11.118 -1.019 -0.919 200 2HB LYS 24 1HB LYS 24 -12.712 -0.645 -1.574 201 1HG LYS 24 2HG LYS 24 -11.978 1.274 -2.610 202 2HG LYS 24 1HG LYS 24 -10.735 1.576 -1.396 203 1HD LYS 24 2HD LYS 24 -10.643 -0.408 -3.679 204 2HD LYS 24 1HD LYS 24 -9.575 0.961 -3.389 205 1HE LYS 24 2HE LYS 24 -8.196 -0.539 -2.410 206 2HE LYS 24 1HE LYS 24 -9.323 -0.486 -1.056 207 1HZ LYS 24 1HZ LYS 24 -10.602 -2.251 -2.346 208 2HZ LYS 24 3HZ LYS 24 -9.188 -2.447 -3.261 209 3HZ LYS 24 2HZ LYS 24 -9.160 -2.729 -1.586 210 HA PRO 25 HA PRO 25 -14.051 -2.340 2.774 211 1HB PRO 25 2HB PRO 25 -13.270 -4.910 2.197 212 2HB PRO 25 1HB PRO 25 -14.631 -4.109 1.393 213 1HG PRO 25 2HG PRO 25 -11.918 -4.708 0.334 214 2HG PRO 25 1HG PRO 25 -13.439 -4.476 -0.543 215 1HD PRO 25 2HD PRO 25 -11.351 -2.583 -0.268 216 2HD PRO 25 1HD PRO 25 -12.979 -2.270 -0.907 217 H GLU 26 H GLU 26 -11.139 -4.215 1.992 218 HA GLU 26 HA GLU 26 -9.612 -3.087 4.227 219 1HB GLU 26 2HB GLU 26 -9.972 -6.050 4.382 220 2HB GLU 26 1HB GLU 26 -9.619 -4.891 5.664 221 1HG GLU 26 2HG GLU 26 -11.945 -4.047 5.523 222 2HG GLU 26 1HG GLU 26 -12.292 -5.242 4.273 223 H ALA 27 H ALA 27 -8.749 -2.829 1.772 224 HA ALA 27 HA ALA 27 -7.226 -5.204 0.985 225 1HB ALA 27 3HB ALA 27 -7.827 -2.555 -0.257 226 2HB ALA 27 2HB ALA 27 -6.378 -3.408 -0.786 227 3HB ALA 27 1HB ALA 27 -7.958 -4.173 -0.954 228 H GLN 28 H GLN 28 -5.335 -5.582 2.039 229 HA GLN 28 HA GLN 28 -3.874 -3.328 3.264 230 1HB GLN 28 2HB GLN 28 -3.432 -6.323 3.256 231 2HB GLN 28 1HB GLN 28 -2.337 -5.189 4.042 232 1HG GLN 28 2HG GLN 28 -3.717 -4.943 5.813 233 2HG GLN 28 1HG GLN 28 -5.103 -4.642 4.764 234 1HE2 GLN 28 2HE2 GLN 28 -4.397 -8.447 6.121 235 2HE2 GLN 28 1HE2 GLN 28 -3.171 -7.277 6.225 236 H ILE 29 H ILE 29 -1.368 -3.427 2.932 237 HA ILE 29 HA ILE 29 -0.774 -4.154 0.116 238 HB ILE 29 HB ILE 29 -1.338 -1.747 0.190 239 1HG1 ILE 29 2HG1 ILE 29 1.631 -1.941 -0.194 240 2HG1 ILE 29 1HG1 ILE 29 0.563 -2.916 -1.205 241 1HG2 ILE 29 1HG2 ILE 29 0.451 -1.879 2.503 242 2HG2 ILE 29 3HG2 ILE 29 0.893 -0.592 1.382 243 3HG2 ILE 29 2HG2 ILE 29 -0.729 -0.641 2.073 244 1HD1 ILE 29 1HD1 ILE 29 -0.689 -0.833 -1.804 245 2HD1 ILE 29 3HD1 ILE 29 0.496 0.102 -0.892 246 3HD1 ILE 29 2HD1 ILE 29 0.995 -0.794 -2.327 247 H ILE 30 H ILE 30 1.281 -4.812 -0.276 248 HA ILE 30 HA ILE 30 2.955 -5.423 2.080 249 HB ILE 30 HB ILE 30 3.103 -6.196 -0.851 250 1HG1 ILE 30 2HG1 ILE 30 1.303 -7.224 0.563 251 2HG1 ILE 30 1HG1 ILE 30 2.465 -8.399 -0.054 252 1HG2 ILE 30 3HG2 ILE 30 5.154 -6.234 1.182 253 2HG2 ILE 30 2HG2 ILE 30 4.741 -7.881 0.704 254 3HG2 ILE 30 1HG2 ILE 30 5.260 -6.714 -0.514 255 1HD1 ILE 30 2HD1 ILE 30 3.500 -7.424 2.406 256 2HD1 ILE 30 1HD1 ILE 30 1.801 -7.811 2.678 257 3HD1 ILE 30 3HD1 ILE 30 2.897 -9.043 2.056 258 H VAL 31 H VAL 31 4.604 -4.016 2.622 259 HA VAL 31 HA VAL 31 5.424 -2.031 0.574 260 HB VAL 31 HB VAL 31 6.128 -2.101 3.516 261 1HG1 VAL 31 3HG1 VAL 31 7.657 -0.795 2.046 262 2HG1 VAL 31 2HG1 VAL 31 6.267 0.124 1.469 263 3HG1 VAL 31 1HG1 VAL 31 6.754 0.231 3.160 264 1HG2 VAL 31 3HG2 VAL 31 3.854 -0.867 1.978 265 2HG2 VAL 31 2HG2 VAL 31 3.787 -1.817 3.461 266 3HG2 VAL 31 1HG2 VAL 31 4.409 -0.167 3.499 267 H LEU 32 H LEU 32 7.380 -2.036 -0.335 268 HA LEU 32 HA LEU 32 9.617 -3.640 0.737 269 1HB LEU 32 2HB LEU 32 9.829 -4.422 -1.813 270 2HB LEU 32 1HB LEU 32 8.875 -5.346 -0.674 271 HG LEU 32 HG LEU 32 7.769 -3.198 -2.488 272 1HD1 LEU 32 1HD1 LEU 32 8.705 -5.319 -3.594 273 2HD1 LEU 32 3HD1 LEU 32 7.442 -6.200 -2.740 274 3HD1 LEU 32 2HD1 LEU 32 7.006 -4.966 -3.918 275 1HD2 LEU 32 2HD2 LEU 32 6.663 -4.897 -0.326 276 2HD2 LEU 32 1HD2 LEU 32 6.052 -3.378 -0.986 277 3HD2 LEU 32 3HD2 LEU 32 5.713 -4.899 -1.812 278 HA PRO 33 HA PRO 33 11.879 -0.391 -1.022 279 1HB PRO 33 2HB PRO 33 14.115 -1.612 -2.048 280 2HB PRO 33 1HB PRO 33 13.813 -1.435 -0.312 281 1HG PRO 33 2HG PRO 33 13.516 -3.876 -2.033 282 2HG PRO 33 1HG PRO 33 13.980 -3.749 -0.320 283 1HD PRO 33 2HD PRO 33 11.436 -4.448 -1.242 284 2HD PRO 33 1HD PRO 33 11.792 -3.861 0.393 285 H VAL 34 H VAL 34 13.265 -2.427 -3.447 286 HA VAL 34 HA VAL 34 11.322 -1.927 -5.533 287 HB VAL 34 HB VAL 34 13.904 -0.332 -5.498 288 1HG1 VAL 34 3HG1 VAL 34 12.552 -1.599 -7.672 289 2HG1 VAL 34 2HG1 VAL 34 12.282 0.141 -7.809 290 3HG1 VAL 34 1HG1 VAL 34 13.927 -0.491 -7.746 291 1HG2 VAL 34 1HG2 VAL 34 10.963 0.290 -5.395 292 2HG2 VAL 34 3HG2 VAL 34 12.283 1.008 -4.470 293 3HG2 VAL 34 2HG2 VAL 34 12.055 1.443 -6.163 294 H GLY 35 H GLY 35 11.527 -4.042 -6.185 295 1HA GLY 35 2HA GLY 35 14.135 -4.854 -7.294 296 2HA GLY 35 1HA GLY 35 13.511 -5.840 -5.970 297 H THR 36 H THR 36 12.339 -7.572 -6.610 298 HA THR 36 HA THR 36 11.590 -7.940 -9.379 299 HB THR 36 HB THR 36 10.732 -9.533 -6.944 300 HG1 THR 36 HG1 THR 36 12.511 -10.889 -7.848 301 1HG2 THR 36 3HG2 THR 36 9.399 -9.930 -8.999 302 2HG2 THR 36 2HG2 THR 36 10.886 -10.280 -9.878 303 3HG2 THR 36 1HG2 THR 36 10.370 -11.335 -8.563 304 H ILE 37 H ILE 37 10.075 -6.374 -9.999 305 HA ILE 37 HA ILE 37 7.592 -6.107 -8.393 306 HB ILE 37 HB ILE 37 7.064 -4.337 -10.151 307 1HG1 ILE 37 2HG1 ILE 37 9.985 -4.586 -10.875 308 2HG1 ILE 37 1HG1 ILE 37 8.749 -5.461 -11.779 309 1HG2 ILE 37 2HG2 ILE 37 9.038 -4.332 -8.021 310 2HG2 ILE 37 1HG2 ILE 37 9.445 -3.144 -9.260 311 3HG2 ILE 37 3HG2 ILE 37 7.874 -3.082 -8.461 312 1HD1 ILE 37 3HD1 ILE 37 8.242 -2.570 -11.285 313 2HD1 ILE 37 2HD1 ILE 37 9.515 -2.967 -12.438 314 3HD1 ILE 37 1HD1 ILE 37 7.873 -3.551 -12.704 315 H VAL 38 H VAL 38 5.504 -6.491 -9.397 316 HA VAL 38 HA VAL 38 4.006 -7.652 -10.788 317 HB VAL 38 HB VAL 38 6.262 -7.854 -12.791 318 1HG1 VAL 38 2HG1 VAL 38 4.059 -9.074 -13.129 319 2HG1 VAL 38 1HG1 VAL 38 3.282 -7.492 -13.190 320 3HG1 VAL 38 3HG1 VAL 38 4.483 -7.933 -14.404 321 1HG2 VAL 38 3HG2 VAL 38 5.572 -5.480 -11.670 322 2HG2 VAL 38 2HG2 VAL 38 6.066 -5.643 -13.354 323 3HG2 VAL 38 1HG2 VAL 38 4.353 -5.584 -12.940 324 H THR 39 H THR 39 6.490 -8.922 -9.227 325 HA THR 39 HA THR 39 5.594 -11.637 -9.478 326 HB THR 39 HB THR 39 8.285 -11.952 -10.336 327 HG1 THR 39 HG1 THR 39 8.070 -9.838 -11.186 328 1HG2 THR 39 3HG2 THR 39 5.989 -13.246 -10.704 329 2HG2 THR 39 2HG2 THR 39 5.979 -12.316 -12.203 330 3HG2 THR 39 1HG2 THR 39 7.321 -13.406 -11.851 331 1H GLU 41 2H GLU 41 -10.335 -7.981 -9.475 332 2H GLU 41 1H GLU 41 -9.034 -9.049 -9.248 333 3H GLU 41 3H GLU 41 -9.849 -9.012 -10.735 334 HA GLU 41 HA GLU 41 -11.826 -9.906 -9.768 335 1HB GLU 41 2HB GLU 41 -9.298 -11.374 -8.963 336 2HB GLU 41 1HB GLU 41 -10.907 -12.099 -8.959 337 1HG GLU 41 2HG GLU 41 -11.138 -11.581 -11.369 338 2HG GLU 41 1HG GLU 41 -9.513 -10.893 -11.367 339 H TYR 42 H TYR 42 -13.137 -10.001 -7.996 340 HA TYR 42 HA TYR 42 -13.839 -9.349 -5.838 341 1HB TYR 42 2HB TYR 42 -12.729 -10.732 -4.078 342 2HB TYR 42 1HB TYR 42 -13.179 -11.671 -5.497 343 HD1 TYR 42 HD2 TYR 42 -10.373 -10.204 -3.611 344 HD2 TYR 42 HD1 TYR 42 -11.508 -12.514 -7.049 345 HE1 TYR 42 HE2 TYR 42 -8.021 -10.900 -3.921 346 HE2 TYR 42 HE1 TYR 42 -9.156 -13.212 -7.358 347 HH TYR 42 HH TYR 42 -7.087 -13.447 -5.805 348 H ARG 43 H ARG 43 -12.014 -9.182 -3.491 349 HA ARG 43 HA ARG 43 -10.564 -6.673 -4.244 350 1HB ARG 43 2HB ARG 43 -11.204 -5.717 -2.108 351 2HB ARG 43 1HB ARG 43 -12.661 -6.264 -2.934 352 1HG ARG 43 2HG ARG 43 -11.752 -8.496 -1.483 353 2HG ARG 43 1HG ARG 43 -11.580 -7.125 -0.384 354 1HD ARG 43 2HD ARG 43 -13.887 -6.552 -0.580 355 2HD ARG 43 1HD ARG 43 -14.107 -7.607 -1.977 356 HE ARG 43 HE ARG 43 -13.272 -9.264 0.137 357 1HH1 ARG 43 1HH2 ARG 43 -14.943 -7.366 1.759 358 2HH1 ARG 43 2HH2 ARG 43 -16.511 -8.096 1.663 359 1HH2 ARG 43 2HH1 ARG 43 -15.695 -10.119 -1.032 360 2HH2 ARG 43 1HH1 ARG 43 -16.937 -9.658 0.083 361 H ILE 44 H ILE 44 -8.725 -8.351 -4.458 362 HA ILE 44 HA ILE 44 -7.691 -9.851 -2.336 363 HB ILE 44 HB ILE 44 -6.546 -9.852 -4.489 364 1HG1 ILE 44 2HG1 ILE 44 -4.298 -8.678 -3.132 365 2HG1 ILE 44 1HG1 ILE 44 -5.289 -9.535 -1.947 366 1HG2 ILE 44 3HG2 ILE 44 -6.826 -7.034 -4.239 367 2HG2 ILE 44 2HG2 ILE 44 -5.095 -7.371 -4.287 368 3HG2 ILE 44 1HG2 ILE 44 -6.139 -7.928 -5.595 369 1HD1 ILE 44 3HD1 ILE 44 -4.792 -10.913 -4.545 370 2HD1 ILE 44 2HD1 ILE 44 -3.429 -10.789 -3.432 371 3HD1 ILE 44 1HD1 ILE 44 -4.917 -11.588 -2.920 372 H ASP 45 H ASP 45 -6.446 -9.320 -0.489 373 HA ASP 45 HA ASP 45 -6.573 -6.440 0.182 374 1HB ASP 45 2HB ASP 45 -6.816 -7.030 2.441 375 2HB ASP 45 1HB ASP 45 -7.739 -8.265 1.584 376 H ARG 46 H ARG 46 -4.509 -7.133 -1.466 377 HA ARG 46 HA ARG 46 -2.207 -6.480 0.254 378 1HB ARG 46 2HB ARG 46 -1.794 -8.776 0.347 379 2HB ARG 46 1HB ARG 46 -2.547 -9.083 -1.215 380 1HG ARG 46 2HG ARG 46 -0.630 -8.049 -2.359 381 2HG ARG 46 1HG ARG 46 0.122 -7.699 -0.802 382 1HD ARG 46 2HD ARG 46 0.837 -9.836 -0.537 383 2HD ARG 46 1HD ARG 46 -0.693 -10.507 -1.110 384 HE ARG 46 HE ARG 46 1.686 -10.094 -2.716 385 1HH1 ARG 46 1HH2 ARG 46 -0.170 -8.403 -4.209 386 2HH1 ARG 46 2HH2 ARG 46 -1.012 -9.527 -5.223 387 1HH2 ARG 46 2HH1 ARG 46 -0.089 -12.302 -3.365 388 2HH2 ARG 46 1HH1 ARG 46 -0.967 -11.733 -4.746 389 H VAL 47 H VAL 47 -0.473 -5.543 -1.027 390 HA VAL 47 HA VAL 47 -0.905 -5.254 -3.925 391 HB VAL 47 HB VAL 47 -0.444 -2.617 -2.694 392 1HG1 VAL 47 3HG1 VAL 47 -0.968 -3.264 -5.124 393 2HG1 VAL 47 2HG1 VAL 47 -2.627 -3.489 -4.569 394 3HG1 VAL 47 1HG1 VAL 47 -1.864 -1.906 -4.444 395 1HG2 VAL 47 1HG2 VAL 47 -3.031 -4.108 -2.209 396 2HG2 VAL 47 3HG2 VAL 47 -1.994 -3.363 -1.000 397 3HG2 VAL 47 2HG2 VAL 47 -2.896 -2.354 -2.126 398 H ARG 48 H ARG 48 1.015 -3.396 -4.547 399 HA ARG 48 HA ARG 48 3.435 -4.484 -3.159 400 1HB ARG 48 2HB ARG 48 2.920 -3.914 -6.066 401 2HB ARG 48 1HB ARG 48 4.565 -3.941 -5.428 402 1HG ARG 48 2HG ARG 48 2.555 -6.199 -5.136 403 2HG ARG 48 1HG ARG 48 3.861 -6.164 -6.320 404 1HD ARG 48 2HD ARG 48 5.492 -5.948 -4.417 405 2HD ARG 48 1HD ARG 48 4.150 -6.182 -3.297 406 HE ARG 48 HE ARG 48 3.870 -8.454 -4.250 407 1HH1 ARG 48 2HH1 ARG 48 6.151 -6.898 -6.146 408 2HH1 ARG 48 1HH1 ARG 48 7.318 -8.178 -6.114 409 1HH2 ARG 48 1HH2 ARG 48 5.602 -10.030 -3.732 410 2HH2 ARG 48 2HH2 ARG 48 7.003 -9.958 -4.749 411 H LEU 49 H LEU 49 2.995 -2.511 -1.743 412 HA LEU 49 HA LEU 49 3.434 0.107 -2.891 413 1HB LEU 49 2HB LEU 49 2.389 0.206 -0.784 414 2HB LEU 49 1HB LEU 49 3.486 -0.985 -0.080 415 HG LEU 49 HG LEU 49 5.316 0.588 -0.086 416 1HD1 LEU 49 2HD1 LEU 49 3.428 2.326 -1.692 417 2HD1 LEU 49 1HD1 LEU 49 4.878 2.965 -0.921 418 3HD1 LEU 49 3HD1 LEU 49 5.020 1.727 -2.175 419 1HD2 LEU 49 1HD2 LEU 49 2.697 1.515 1.027 420 2HD2 LEU 49 3HD2 LEU 49 4.162 1.001 1.873 421 3HD2 LEU 49 2HD2 LEU 49 4.085 2.598 1.122 422 H PHE 50 H PHE 50 5.323 0.141 -4.088 423 HA PHE 50 HA PHE 50 7.826 -0.874 -2.882 424 1HB PHE 50 2HB PHE 50 6.940 0.155 -5.553 425 2HB PHE 50 1HB PHE 50 8.666 0.198 -5.164 426 HD1 PHE 50 HD2 PHE 50 9.830 -1.929 -4.504 427 HD2 PHE 50 HD1 PHE 50 5.842 -1.903 -6.095 428 HE1 PHE 50 HE2 PHE 50 10.032 -4.340 -5.041 429 HE2 PHE 50 HE1 PHE 50 6.049 -4.310 -6.649 430 HZ PHE 50 HZ PHE 50 8.144 -5.529 -6.126 431 H VAL 51 H VAL 51 9.612 1.126 -3.873 432 HA VAL 51 HA VAL 51 8.643 3.662 -2.678 433 HB VAL 51 HB VAL 51 10.719 3.894 -1.337 434 1HG1 VAL 51 3HG1 VAL 51 8.480 2.647 -0.603 435 2HG1 VAL 51 2HG1 VAL 51 9.571 1.265 -0.490 436 3HG1 VAL 51 1HG1 VAL 51 9.882 2.716 0.469 437 1HG2 VAL 51 2HG2 VAL 51 12.053 2.321 -2.780 438 2HG2 VAL 51 1HG2 VAL 51 12.210 2.009 -1.052 439 3HG2 VAL 51 3HG2 VAL 51 11.172 0.986 -2.041 440 H ASP 52 H ASP 52 10.510 5.389 -2.990 441 HA ASP 52 HA ASP 52 11.813 4.847 -5.620 442 1HB ASP 52 2HB ASP 52 10.534 6.432 -6.583 443 2HB ASP 52 1HB ASP 52 9.712 6.725 -5.046 444 H LYS 53 H LYS 53 11.848 7.585 -3.279 445 HA LYS 53 HA LYS 53 14.810 7.510 -3.389 446 1HB LYS 53 2HB LYS 53 12.867 9.489 -2.157 447 2HB LYS 53 1HB LYS 53 14.622 9.652 -2.095 448 1HG LYS 53 2HG LYS 53 13.679 9.118 -4.803 449 2HG LYS 53 1HG LYS 53 12.959 10.582 -4.134 450 1HD LYS 53 2HD LYS 53 15.089 11.561 -3.713 451 2HD LYS 53 1HD LYS 53 15.925 10.029 -3.968 452 1HE LYS 53 2HE LYS 53 15.477 10.068 -6.317 453 2HE LYS 53 1HE LYS 53 14.325 11.392 -6.144 454 1HZ LYS 53 2HZ LYS 53 17.025 11.870 -5.164 455 2HZ LYS 53 1HZ LYS 53 16.841 11.767 -6.850 456 3HZ LYS 53 3HZ LYS 53 15.959 12.917 -5.971 457 H LEU 54 H LEU 54 12.603 8.233 -0.709 458 HA LEU 54 HA LEU 54 13.909 6.081 0.895 459 1HB LEU 54 2HB LEU 54 14.278 8.839 1.288 460 2HB LEU 54 1HB LEU 54 13.100 8.361 2.509 461 HG LEU 54 HG LEU 54 15.316 6.454 2.204 462 1HD1 LEU 54 3HD1 LEU 54 15.815 9.318 3.050 463 2HD1 LEU 54 2HD1 LEU 54 16.864 7.985 3.533 464 3HD1 LEU 54 1HD1 LEU 54 16.679 8.387 1.827 465 1HD2 LEU 54 1HD2 LEU 54 13.579 6.452 4.012 466 2HD2 LEU 54 3HD2 LEU 54 15.225 6.527 4.641 467 3HD2 LEU 54 2HD2 LEU 54 14.234 7.983 4.593 468 H ASP 55 H ASP 55 11.598 5.591 -0.367 469 HA ASP 55 HA ASP 55 9.578 4.538 0.276 470 1HB ASP 55 2HB ASP 55 8.836 4.518 2.434 471 2HB ASP 55 1HB ASP 55 10.469 5.096 2.748 472 H ASN 56 H ASN 56 10.165 7.126 -1.164 473 HA ASN 56 HA ASN 56 7.644 8.620 -0.760 474 1HB ASN 56 2HB ASN 56 9.912 9.723 -1.298 475 2HB ASN 56 1HB ASN 56 9.696 9.093 -2.934 476 1HD2 ASN 56 2HD2 ASN 56 8.037 12.202 -3.495 477 2HD2 ASN 56 1HD2 ASN 56 9.481 11.341 -3.738 478 H ILE 57 H ILE 57 6.124 7.116 -1.382 479 HA ILE 57 HA ILE 57 6.026 5.289 -3.388 480 HB ILE 57 HB ILE 57 3.735 7.217 -2.983 481 1HG1 ILE 57 2HG1 ILE 57 4.677 4.886 -1.285 482 2HG1 ILE 57 1HG1 ILE 57 4.467 6.560 -0.773 483 1HG2 ILE 57 1HG2 ILE 57 4.145 4.694 -4.370 484 2HG2 ILE 57 3HG2 ILE 57 2.862 4.565 -3.168 485 3HG2 ILE 57 2HG2 ILE 57 2.765 5.791 -4.431 486 1HD1 ILE 57 2HD1 ILE 57 1.983 5.982 -1.775 487 2HD1 ILE 57 1HD1 ILE 57 2.457 4.430 -1.088 488 3HD1 ILE 57 3HD1 ILE 57 2.420 5.869 -0.071 489 H ALA 58 H ALA 58 7.345 5.899 -5.126 490 HA ALA 58 HA ALA 58 6.526 8.182 -6.820 491 1HB ALA 58 2HB ALA 58 8.763 6.150 -6.931 492 2HB ALA 58 1HB ALA 58 8.417 7.207 -8.299 493 3HB ALA 58 3HB ALA 58 8.889 7.900 -6.747 494 H GLN 59 H GLN 59 6.199 4.747 -6.547 495 HA GLN 59 HA GLN 59 4.667 4.686 -9.114 496 1HB GLN 59 2HB GLN 59 6.812 3.019 -8.210 497 2HB GLN 59 1HB GLN 59 5.340 2.045 -8.235 498 1HG GLN 59 2HG GLN 59 4.959 3.171 -10.576 499 2HG GLN 59 1HG GLN 59 6.693 3.481 -10.503 500 1HE2 GLN 59 2HE2 GLN 59 5.458 -0.157 -11.565 501 2HE2 GLN 59 1HE2 GLN 59 4.464 1.220 -11.557 502 H VAL 60 H VAL 60 2.595 4.984 -8.382 503 HA VAL 60 HA VAL 60 1.612 4.206 -5.838 504 HB VAL 60 HB VAL 60 0.178 4.747 -8.444 505 1HG1 VAL 60 2HG1 VAL 60 -1.143 3.298 -6.882 506 2HG1 VAL 60 1HG1 VAL 60 -0.997 4.557 -5.658 507 3HG1 VAL 60 3HG1 VAL 60 -1.871 4.879 -7.156 508 1HG2 VAL 60 1HG2 VAL 60 1.561 6.464 -6.847 509 2HG2 VAL 60 3HG2 VAL 60 0.152 6.933 -7.795 510 3HG2 VAL 60 2HG2 VAL 60 -0.030 6.536 -6.089 511 HA PRO 61 HA PRO 61 0.918 -0.132 -6.508 512 1HB PRO 61 2HB PRO 61 -0.409 -0.568 -4.139 513 2HB PRO 61 1HB PRO 61 1.351 -0.388 -4.248 514 1HG PRO 61 2HG PRO 61 -0.668 1.540 -3.214 515 2HG PRO 61 1HG PRO 61 1.054 1.402 -2.823 516 1HD PRO 61 2HD PRO 61 -0.123 3.306 -4.574 517 2HD PRO 61 1HD PRO 61 1.613 2.983 -4.379 518 H ARG 62 H ARG 62 -1.136 -1.617 -6.468 519 HA ARG 62 HA ARG 62 -3.673 -0.105 -6.673 520 1HB ARG 62 2HB ARG 62 -2.147 -0.613 -8.952 521 2HB ARG 62 1HB ARG 62 -3.393 -1.862 -8.971 522 1HG ARG 62 2HG ARG 62 -4.530 -0.141 -10.026 523 2HG ARG 62 1HG ARG 62 -4.969 0.182 -8.348 524 1HD ARG 62 2HD ARG 62 -4.229 2.257 -9.404 525 2HD ARG 62 1HD ARG 62 -3.051 1.769 -8.187 526 HE ARG 62 HE ARG 62 -1.622 0.944 -10.050 527 1HH1 ARG 62 2HH1 ARG 62 -3.363 0.662 -12.318 528 2HH1 ARG 62 1HH1 ARG 62 -3.194 2.154 -13.183 529 1HH2 ARG 62 1HH2 ARG 62 -1.820 3.862 -10.498 530 2HH2 ARG 62 2HH2 ARG 62 -2.319 3.963 -12.154 531 H VAL 63 H VAL 63 -5.451 -1.353 -6.199 532 HA VAL 63 HA VAL 63 -4.962 -4.269 -5.738 533 HB VAL 63 HB VAL 63 -6.188 -2.154 -4.055 534 1HG1 VAL 63 3HG1 VAL 63 -8.186 -3.526 -4.622 535 2HG1 VAL 63 2HG1 VAL 63 -7.330 -4.965 -4.071 536 3HG1 VAL 63 1HG1 VAL 63 -7.732 -3.684 -2.923 537 1HG2 VAL 63 2HG2 VAL 63 -4.276 -4.299 -3.897 538 2HG2 VAL 63 1HG2 VAL 63 -4.562 -2.998 -2.746 539 3HG2 VAL 63 3HG2 VAL 63 -5.485 -4.493 -2.628 540 H GLY 64 H GLY 64 -6.480 -5.677 -6.604 541 1HA GLY 64 2HA GLY 64 -8.491 -4.458 -8.411 542 2HA GLY 64 1HA GLY 64 -7.961 -6.141 -8.448 No H/Q in entry = 542 Start of MODEL 18 Raw file had 552 H/Q atoms Start of MODEL 18 1 1H MET 1 2H MET 1 -12.254 7.119 -3.815 2 2H MET 1 1H MET 1 -13.151 6.745 -5.208 3 3H MET 1 3H MET 1 -13.856 6.571 -3.675 4 HA MET 1 HA MET 1 -12.946 4.574 -3.315 5 1HB MET 1 2HB MET 1 -12.491 4.911 -6.293 6 2HB MET 1 1HB MET 1 -12.417 3.364 -5.447 7 1HG MET 1 2HG MET 1 -14.842 5.153 -5.250 8 2HG MET 1 1HG MET 1 -14.660 3.987 -6.562 9 1HE MET 1 2HE MET 1 -16.258 2.632 -6.436 10 2HE MET 1 1HE MET 1 -16.595 1.361 -5.264 11 3HE MET 1 3HE MET 1 -17.268 2.980 -5.036 12 H LYS 2 H LYS 2 -11.096 4.282 -2.165 13 HA LYS 2 HA LYS 2 -8.544 5.367 -3.186 14 1HB LYS 2 2HB LYS 2 -9.453 4.173 -0.573 15 2HB LYS 2 1HB LYS 2 -7.733 4.334 -0.931 16 1HG LYS 2 2HG LYS 2 -9.704 6.627 -1.112 17 2HG LYS 2 1HG LYS 2 -8.709 6.301 0.308 18 1HD LYS 2 2HD LYS 2 -6.677 6.442 -1.160 19 2HD LYS 2 1HD LYS 2 -7.727 6.945 -2.486 20 1HE LYS 2 2HE LYS 2 -7.505 8.380 0.177 21 2HE LYS 2 1HE LYS 2 -6.699 8.886 -1.308 22 1HZ LYS 2 3HZ LYS 2 -8.921 8.996 -2.358 23 2HZ LYS 2 2HZ LYS 2 -9.623 8.686 -0.842 24 3HZ LYS 2 1HZ LYS 2 -8.719 10.104 -1.090 25 H THR 3 H THR 3 -9.489 3.325 -4.820 26 HA THR 3 HA THR 3 -8.103 0.839 -4.000 27 HB THR 3 HB THR 3 -9.481 1.361 -6.639 28 HG1 THR 3 HG1 THR 3 -11.052 1.789 -5.202 29 1HG2 THR 3 1HG2 THR 3 -8.947 -1.132 -5.001 30 2HG2 THR 3 3HG2 THR 3 -9.841 -1.093 -6.521 31 3HG2 THR 3 2HG2 THR 3 -8.130 -0.670 -6.493 32 H GLU 4 H GLU 4 -7.591 3.635 -6.019 33 HA GLU 4 HA GLU 4 -5.289 2.264 -7.320 34 1HB GLU 4 2HB GLU 4 -6.286 5.010 -8.070 35 2HB GLU 4 1HB GLU 4 -5.402 3.849 -9.057 36 1HG GLU 4 2HG GLU 4 -8.141 3.176 -7.997 37 2HG GLU 4 1HG GLU 4 -7.954 4.117 -9.477 38 H TRP 5 H TRP 5 -6.095 4.796 -5.071 39 HA TRP 5 HA TRP 5 -4.686 6.316 -3.938 40 1HB TRP 5 2HB TRP 5 -2.677 4.097 -4.430 41 2HB TRP 5 1HB TRP 5 -2.575 5.341 -3.184 42 HD1 TRP 5 HD1 TRP 5 -4.743 5.345 -1.412 43 HE1 TRP 5 HE1 TRP 5 -5.876 3.303 -0.329 44 HE3 TRP 5 HE3 TRP 5 -3.313 1.677 -4.695 45 HZ2 TRP 5 HZ2 TRP 5 -6.123 0.504 -0.767 46 HZ3 TRP 5 HZ3 TRP 5 -4.022 -0.668 -4.319 47 HH2 TRP 5 HH2 TRP 5 -5.429 -1.251 -2.363 48 HA PRO 6 HA PRO 6 -2.400 7.130 -7.980 49 1HB PRO 6 2HB PRO 6 -4.145 8.934 -9.129 50 2HB PRO 6 1HB PRO 6 -4.178 7.196 -9.479 51 1HG PRO 6 2HG PRO 6 -6.033 8.804 -7.783 52 2HG PRO 6 1HG PRO 6 -6.338 7.296 -8.663 53 1HD PRO 6 2HD PRO 6 -5.875 7.515 -5.884 54 2HD PRO 6 1HD PRO 6 -5.817 6.024 -6.831 55 H GLU 7 H GLU 7 -4.421 9.014 -5.941 56 HA GLU 7 HA GLU 7 -2.872 11.476 -6.050 57 1HB GLU 7 2HB GLU 7 -5.128 10.397 -4.477 58 2HB GLU 7 1HB GLU 7 -4.081 11.506 -3.592 59 1HG GLU 7 2HG GLU 7 -4.612 13.305 -4.939 60 2HG GLU 7 1HG GLU 7 -4.900 12.293 -6.355 61 H LEU 8 H LEU 8 -2.385 8.385 -4.705 62 HA LEU 8 HA LEU 8 -0.825 9.249 -2.404 63 1HB LEU 8 2HB LEU 8 -2.063 7.056 -2.551 64 2HB LEU 8 1HB LEU 8 -0.878 6.533 -3.747 65 HG LEU 8 HG LEU 8 0.906 7.119 -2.001 66 1HD1 LEU 8 1HD1 LEU 8 -1.537 7.819 -0.586 67 2HD1 LEU 8 3HD1 LEU 8 -0.593 6.631 0.313 68 3HD1 LEU 8 2HD1 LEU 8 0.138 8.166 -0.157 69 1HD2 LEU 8 2HD2 LEU 8 -1.057 4.854 -1.868 70 2HD2 LEU 8 1HD2 LEU 8 0.648 4.826 -2.319 71 3HD2 LEU 8 3HD2 LEU 8 0.185 4.974 -0.624 72 H VAL 9 H VAL 9 -0.257 9.205 -5.715 73 HA VAL 9 HA VAL 9 2.386 8.235 -5.921 74 HB VAL 9 HB VAL 9 0.923 10.452 -7.364 75 1HG1 VAL 9 2HG1 VAL 9 3.466 10.897 -7.188 76 2HG1 VAL 9 1HG1 VAL 9 3.662 9.440 -8.167 77 3HG1 VAL 9 3HG1 VAL 9 2.779 10.822 -8.813 78 1HG2 VAL 9 2HG2 VAL 9 0.360 8.044 -7.778 79 2HG2 VAL 9 1HG2 VAL 9 0.973 8.867 -9.212 80 3HG2 VAL 9 3HG2 VAL 9 2.025 7.785 -8.299 81 H GLY 10 H GLY 10 4.414 9.314 -5.762 82 1HA GLY 10 2HA GLY 10 5.962 10.696 -4.691 83 2HA GLY 10 1HA GLY 10 4.792 11.984 -4.975 84 H LYS 11 H LYS 11 3.504 9.397 -3.128 85 HA LYS 11 HA LYS 11 3.602 11.127 -0.722 86 1HB LYS 11 2HB LYS 11 1.484 9.890 -1.724 87 2HB LYS 11 1HB LYS 11 2.112 8.530 -0.790 88 1HG LYS 11 2HG LYS 11 0.952 9.471 0.929 89 2HG LYS 11 1HG LYS 11 2.334 10.562 1.026 90 1HD LYS 11 2HD LYS 11 0.266 11.291 -0.971 91 2HD LYS 11 1HD LYS 11 -0.221 11.428 0.720 92 1HE LYS 11 2HE LYS 11 2.469 12.488 0.204 93 2HE LYS 11 1HE LYS 11 1.204 13.336 -0.685 94 1HZ LYS 11 1HZ LYS 11 0.023 13.189 1.644 95 2HZ LYS 11 3HZ LYS 11 1.623 13.115 2.201 96 3HZ LYS 11 2HZ LYS 11 1.107 14.445 1.277 97 H SER 12 H SER 12 3.124 8.582 0.928 98 HA SER 12 HA SER 12 5.797 7.322 0.781 99 1HB SER 12 2HB SER 12 5.130 9.439 2.619 100 2HB SER 12 1HB SER 12 5.450 7.953 3.514 101 HG SER 12 HG SER 12 7.466 8.437 3.161 102 H VAL 13 H VAL 13 5.964 5.591 2.556 103 HA VAL 13 HA VAL 13 3.871 3.729 2.334 104 HB VAL 13 HB VAL 13 5.923 4.038 4.543 105 1HG1 VAL 13 2HG1 VAL 13 3.758 2.060 4.037 106 2HG1 VAL 13 1HG1 VAL 13 5.327 1.407 4.510 107 3HG1 VAL 13 3HG1 VAL 13 4.496 2.554 5.561 108 1HG2 VAL 13 3HG2 VAL 13 6.010 3.135 1.792 109 2HG2 VAL 13 2HG2 VAL 13 7.338 3.326 2.937 110 3HG2 VAL 13 1HG2 VAL 13 6.429 1.815 2.885 111 H GLU 14 H GLU 14 4.471 6.129 4.886 112 HA GLU 14 HA GLU 14 2.609 5.493 6.807 113 1HB GLU 14 2HB GLU 14 3.347 8.160 5.613 114 2HB GLU 14 1HB GLU 14 2.165 8.051 6.917 115 1HG GLU 14 2HG GLU 14 4.995 6.962 7.021 116 2HG GLU 14 1HG GLU 14 4.440 8.439 7.808 117 H GLU 15 H GLU 15 1.686 7.809 4.247 118 HA GLU 15 HA GLU 15 -1.115 7.497 4.567 119 1HB GLU 15 2HB GLU 15 0.325 9.179 3.115 120 2HB GLU 15 1HB GLU 15 0.046 7.987 1.845 121 1HG GLU 15 2HG GLU 15 -2.015 8.830 1.529 122 2HG GLU 15 1HG GLU 15 -2.434 8.370 3.179 123 H ALA 16 H ALA 16 1.177 5.690 2.533 124 HA ALA 16 HA ALA 16 -0.732 4.202 1.057 125 1HB ALA 16 1HB ALA 16 2.129 3.915 1.746 126 2HB ALA 16 3HB ALA 16 1.307 2.411 1.337 127 3HB ALA 16 2HB ALA 16 1.327 3.747 0.187 128 H LYS 17 H LYS 17 1.219 2.467 3.481 129 HA LYS 17 HA LYS 17 -0.622 0.451 4.005 130 1HB LYS 17 2HB LYS 17 1.608 0.419 4.992 131 2HB LYS 17 1HB LYS 17 1.220 1.823 5.988 132 1HG LYS 17 2HG LYS 17 0.748 0.201 7.542 133 2HG LYS 17 1HG LYS 17 -0.812 0.203 6.718 134 1HD LYS 17 2HD LYS 17 -0.507 -1.922 6.052 135 2HD LYS 17 1HD LYS 17 1.016 -1.488 5.277 136 1HE LYS 17 2HE LYS 17 1.345 -3.219 7.020 137 2HE LYS 17 1HE LYS 17 2.198 -1.728 7.418 138 1HZ LYS 17 2HZ LYS 17 0.290 -1.095 8.805 139 2HZ LYS 17 1HZ LYS 17 -0.429 -2.601 8.489 140 3HZ LYS 17 3HZ LYS 17 1.035 -2.524 9.341 141 H LYS 18 H LYS 18 -0.679 3.749 5.140 142 HA LYS 18 HA LYS 18 -2.573 3.531 7.245 143 1HB LYS 18 2HB LYS 18 -1.653 5.708 5.416 144 2HB LYS 18 1HB LYS 18 -3.114 5.981 6.367 145 1HG LYS 18 2HG LYS 18 -0.937 4.782 7.930 146 2HG LYS 18 1HG LYS 18 -0.536 6.375 7.286 147 1HD LYS 18 2HD LYS 18 -2.882 7.076 8.157 148 2HD LYS 18 1HD LYS 18 -2.793 5.606 9.129 149 1HE LYS 18 2HE LYS 18 -0.330 6.666 9.603 150 2HE LYS 18 1HE LYS 18 -1.281 8.138 9.394 151 1HZ LYS 18 3HZ LYS 18 -2.867 7.273 11.021 152 2HZ LYS 18 2HZ LYS 18 -1.890 5.902 11.253 153 3HZ LYS 18 1HZ LYS 18 -1.316 7.440 11.688 154 H VAL 19 H VAL 19 -3.513 5.315 4.386 155 HA VAL 19 HA VAL 19 -6.267 4.684 4.597 156 HB VAL 19 HB VAL 19 -4.967 5.305 1.949 157 1HG1 VAL 19 2HG1 VAL 19 -7.606 5.632 3.262 158 2HG1 VAL 19 1HG1 VAL 19 -7.071 6.993 2.274 159 3HG1 VAL 19 3HG1 VAL 19 -7.216 5.387 1.558 160 1HG2 VAL 19 3HG2 VAL 19 -5.158 7.058 4.403 161 2HG2 VAL 19 2HG2 VAL 19 -3.770 6.817 3.336 162 3HG2 VAL 19 1HG2 VAL 19 -5.159 7.757 2.783 163 H ILE 20 H ILE 20 -3.708 3.127 2.726 164 HA ILE 20 HA ILE 20 -5.213 1.383 1.133 165 HB ILE 20 HB ILE 20 -2.556 0.973 2.526 166 1HG1 ILE 20 2HG1 ILE 20 -1.545 1.771 0.615 167 2HG1 ILE 20 1HG1 ILE 20 -2.857 1.259 -0.432 168 1HG2 ILE 20 2HG2 ILE 20 -4.224 -0.961 1.269 169 2HG2 ILE 20 1HG2 ILE 20 -2.859 -0.656 0.197 170 3HG2 ILE 20 3HG2 ILE 20 -2.576 -1.168 1.861 171 1HD1 ILE 20 2HD1 ILE 20 -4.228 3.144 0.654 172 2HD1 ILE 20 1HD1 ILE 20 -2.699 3.723 1.303 173 3HD1 ILE 20 3HD1 ILE 20 -2.935 3.627 -0.437 174 H LEU 21 H LEU 21 -3.932 0.772 4.419 175 HA LEU 21 HA LEU 21 -4.771 -1.773 4.931 176 1HB LEU 21 2HB LEU 21 -3.701 -0.507 6.667 177 2HB LEU 21 1HB LEU 21 -5.048 0.636 6.738 178 HG LEU 21 HG LEU 21 -6.546 -1.189 7.475 179 1HD1 LEU 21 2HD1 LEU 21 -4.022 -2.789 7.101 180 2HD1 LEU 21 1HD1 LEU 21 -5.244 -3.315 8.259 181 3HD1 LEU 21 3HD1 LEU 21 -5.657 -3.158 6.552 182 1HD2 LEU 21 3HD2 LEU 21 -5.285 0.187 9.139 183 2HD2 LEU 21 2HD2 LEU 21 -5.627 -1.440 9.726 184 3HD2 LEU 21 1HD2 LEU 21 -4.014 -1.036 9.142 185 H GLN 22 H GLN 22 -7.022 0.879 4.318 186 HA GLN 22 HA GLN 22 -9.134 -1.175 4.638 187 1HB GLN 22 2HB GLN 22 -8.726 0.950 6.475 188 2HB GLN 22 1HB GLN 22 -10.224 1.274 5.601 189 1HG GLN 22 2HG GLN 22 -11.227 -0.722 6.300 190 2HG GLN 22 1HG GLN 22 -9.679 -1.507 6.626 191 1HE2 GLN 22 2HE2 GLN 22 -10.036 -0.717 10.039 192 2HE2 GLN 22 1HE2 GLN 22 -9.675 -1.885 8.862 193 H ASP 23 H ASP 23 -7.853 0.713 2.396 194 HA ASP 23 HA ASP 23 -9.891 2.364 1.359 195 1HB ASP 23 2HB ASP 23 -8.803 2.219 -0.716 196 2HB ASP 23 1HB ASP 23 -7.507 1.745 0.381 197 H LYS 24 H LYS 24 -11.767 1.823 -0.047 198 HA LYS 24 HA LYS 24 -13.642 0.450 -0.461 199 1HB LYS 24 2HB LYS 24 -11.450 -1.622 -0.842 200 2HB LYS 24 1HB LYS 24 -13.067 -1.668 -1.549 201 1HG LYS 24 2HG LYS 24 -12.625 0.168 -2.963 202 2HG LYS 24 1HG LYS 24 -11.194 0.638 -2.047 203 1HD LYS 24 2HD LYS 24 -10.051 -0.500 -3.647 204 2HD LYS 24 1HD LYS 24 -10.568 -1.935 -2.763 205 1HE LYS 24 2HE LYS 24 -12.760 -1.239 -4.381 206 2HE LYS 24 1HE LYS 24 -11.342 -1.057 -5.413 207 1HZ LYS 24 1HZ LYS 24 -10.750 -3.338 -4.219 208 2HZ LYS 24 3HZ LYS 24 -12.442 -3.449 -4.174 209 3HZ LYS 24 2HZ LYS 24 -11.645 -3.264 -5.662 210 HA PRO 25 HA PRO 25 -14.257 -2.214 3.152 211 1HB PRO 25 2HB PRO 25 -13.526 -4.855 3.038 212 2HB PRO 25 1HB PRO 25 -14.988 -4.217 2.264 213 1HG PRO 25 2HG PRO 25 -12.404 -5.033 1.020 214 2HG PRO 25 1HG PRO 25 -14.034 -5.036 0.325 215 1HD PRO 25 2HD PRO 25 -12.042 -3.108 -0.169 216 2HD PRO 25 1HD PRO 25 -13.772 -2.932 -0.538 217 H GLU 26 H GLU 26 -11.556 -4.422 2.598 218 HA GLU 26 HA GLU 26 -9.775 -2.835 4.368 219 1HB GLU 26 2HB GLU 26 -10.184 -5.769 4.916 220 2HB GLU 26 1HB GLU 26 -9.438 -4.545 5.944 221 1HG GLU 26 2HG GLU 26 -11.912 -3.475 5.671 222 2HG GLU 26 1HG GLU 26 -12.309 -5.188 5.544 223 H ALA 27 H ALA 27 -8.914 -2.722 2.048 224 HA ALA 27 HA ALA 27 -7.584 -5.190 1.166 225 1HB ALA 27 2HB ALA 27 -8.544 -2.854 -0.107 226 2HB ALA 27 1HB ALA 27 -6.792 -2.848 -0.320 227 3HB ALA 27 3HB ALA 27 -7.746 -4.230 -0.870 228 H GLN 28 H GLN 28 -5.613 -5.692 1.988 229 HA GLN 28 HA GLN 28 -4.029 -3.615 3.352 230 1HB GLN 28 2HB GLN 28 -4.403 -6.341 3.760 231 2HB GLN 28 1HB GLN 28 -2.778 -6.242 3.077 232 1HG GLN 28 2HG GLN 28 -2.608 -4.198 4.807 233 2HG GLN 28 1HG GLN 28 -3.818 -5.163 5.654 234 1HE2 GLN 28 2HE2 GLN 28 -1.474 -8.026 5.841 235 2HE2 GLN 28 1HE2 GLN 28 -3.056 -7.758 5.283 236 H ILE 29 H ILE 29 -1.467 -4.043 2.902 237 HA ILE 29 HA ILE 29 -1.009 -4.401 0.014 238 HB ILE 29 HB ILE 29 -1.625 -2.028 0.251 239 1HG1 ILE 29 2HG1 ILE 29 1.348 -2.184 -0.179 240 2HG1 ILE 29 1HG1 ILE 29 0.236 -2.969 -1.294 241 1HG2 ILE 29 3HG2 ILE 29 -0.345 -2.184 2.677 242 2HG2 ILE 29 2HG2 ILE 29 0.854 -1.342 1.697 243 3HG2 ILE 29 1HG2 ILE 29 -0.770 -0.673 1.872 244 1HD1 ILE 29 3HD1 ILE 29 -0.496 -0.195 -0.602 245 2HD1 ILE 29 2HD1 ILE 29 1.015 -0.347 -1.497 246 3HD1 ILE 29 1HD1 ILE 29 -0.479 -0.992 -2.174 247 H ILE 30 H ILE 30 1.198 -4.708 -0.537 248 HA ILE 30 HA ILE 30 2.978 -5.299 1.798 249 HB ILE 30 HB ILE 30 2.748 -6.517 -0.959 250 1HG1 ILE 30 2HG1 ILE 30 1.289 -7.373 0.874 251 2HG1 ILE 30 1HG1 ILE 30 2.441 -8.587 0.314 252 1HG2 ILE 30 2HG2 ILE 30 5.113 -6.218 0.729 253 2HG2 ILE 30 1HG2 ILE 30 4.737 -7.909 0.398 254 3HG2 ILE 30 3HG2 ILE 30 4.988 -6.785 -0.939 255 1HD1 ILE 30 2HD1 ILE 30 3.978 -7.694 2.203 256 2HD1 ILE 30 1HD1 ILE 30 2.513 -6.957 2.851 257 3HD1 ILE 30 3HD1 ILE 30 2.611 -8.708 2.664 258 H VAL 31 H VAL 31 4.821 -4.042 1.923 259 HA VAL 31 HA VAL 31 5.304 -2.178 -0.302 260 HB VAL 31 HB VAL 31 6.897 -2.303 2.255 261 1HG1 VAL 31 1HG1 VAL 31 6.480 -0.414 0.011 262 2HG1 VAL 31 3HG1 VAL 31 6.524 0.310 1.619 263 3HG1 VAL 31 2HG1 VAL 31 7.892 -0.642 1.042 264 1HG2 VAL 31 3HG2 VAL 31 4.112 -1.263 1.760 265 2HG2 VAL 31 2HG2 VAL 31 4.706 -2.219 3.118 266 3HG2 VAL 31 1HG2 VAL 31 5.144 -0.516 2.979 267 H LEU 32 H LEU 32 7.287 -1.988 -1.383 268 HA LEU 32 HA LEU 32 9.122 -4.343 -1.157 269 1HB LEU 32 2HB LEU 32 8.476 -4.986 -3.245 270 2HB LEU 32 1HB LEU 32 7.286 -3.721 -3.248 271 HG LEU 32 HG LEU 32 10.115 -3.089 -3.991 272 1HD1 LEU 32 1HD1 LEU 32 8.042 -4.517 -5.641 273 2HD1 LEU 32 3HD1 LEU 32 9.303 -3.532 -6.384 274 3HD1 LEU 32 2HD1 LEU 32 9.740 -4.943 -5.420 275 1HD2 LEU 32 1HD2 LEU 32 7.380 -2.013 -4.286 276 2HD2 LEU 32 3HD2 LEU 32 8.873 -1.144 -3.984 277 3HD2 LEU 32 2HD2 LEU 32 8.511 -1.717 -5.605 278 HA PRO 33 HA PRO 33 12.368 -1.353 -1.463 279 1HB PRO 33 2HB PRO 33 14.284 -2.857 -2.725 280 2HB PRO 33 1HB PRO 33 13.803 -3.121 -1.040 281 1HG PRO 33 2HG PRO 33 13.162 -4.760 -3.444 282 2HG PRO 33 1HG PRO 33 13.264 -5.249 -1.745 283 1HD PRO 33 2HD PRO 33 10.881 -4.736 -3.203 284 2HD PRO 33 1HD PRO 33 11.014 -4.959 -1.446 285 H VAL 34 H VAL 34 10.399 -1.344 -3.582 286 HA VAL 34 HA VAL 34 9.907 -0.515 -5.659 287 HB VAL 34 HB VAL 34 11.565 1.251 -4.552 288 1HG1 VAL 34 1HG1 VAL 34 13.399 -0.259 -6.000 289 2HG1 VAL 34 3HG1 VAL 34 13.089 1.126 -7.049 290 3HG1 VAL 34 2HG1 VAL 34 13.661 1.379 -5.401 291 1HG2 VAL 34 3HG2 VAL 34 10.749 1.225 -7.473 292 2HG2 VAL 34 2HG2 VAL 34 9.744 1.750 -6.122 293 3HG2 VAL 34 1HG2 VAL 34 11.189 2.665 -6.556 294 H GLY 35 H GLY 35 12.108 -2.913 -5.310 295 1HA GLY 35 2HA GLY 35 12.144 -3.402 -8.209 296 2HA GLY 35 1HA GLY 35 13.723 -3.268 -7.435 297 H THR 36 H THR 36 14.119 -5.520 -7.979 298 HA THR 36 HA THR 36 12.512 -7.722 -7.327 299 HB THR 36 HB THR 36 15.124 -8.529 -6.684 300 HG1 THR 36 HG1 THR 36 15.348 -6.974 -8.979 301 1HG2 THR 36 3HG2 THR 36 13.331 -8.607 -9.074 302 2HG2 THR 36 2HG2 THR 36 15.004 -9.124 -9.270 303 3HG2 THR 36 1HG2 THR 36 13.962 -9.936 -8.102 304 H ILE 37 H ILE 37 11.833 -8.593 -5.423 305 HA ILE 37 HA ILE 37 12.237 -7.305 -2.929 306 HB ILE 37 HB ILE 37 10.368 -8.866 -3.410 307 1HG1 ILE 37 2HG1 ILE 37 11.289 -8.336 -1.051 308 2HG1 ILE 37 1HG1 ILE 37 10.212 -9.719 -1.212 309 1HG2 ILE 37 1HG2 ILE 37 12.588 -10.646 -3.985 310 2HG2 ILE 37 3HG2 ILE 37 11.488 -11.365 -2.809 311 3HG2 ILE 37 2HG2 ILE 37 10.878 -10.833 -4.375 312 1HD1 ILE 37 1HD1 ILE 37 12.892 -10.618 -1.698 313 2HD1 ILE 37 3HD1 ILE 37 12.884 -9.677 -0.208 314 3HD1 ILE 37 2HD1 ILE 37 11.811 -11.066 -0.382 315 H VAL 38 H VAL 38 14.213 -9.572 -4.647 316 HA VAL 38 HA VAL 38 15.705 -10.532 -2.353 317 HB VAL 38 HB VAL 38 16.526 -10.435 -5.272 318 1HG1 VAL 38 1HG1 VAL 38 17.745 -11.476 -2.802 319 2HG1 VAL 38 3HG1 VAL 38 17.649 -12.664 -4.104 320 3HG1 VAL 38 2HG1 VAL 38 18.487 -11.134 -4.365 321 1HG2 VAL 38 3HG2 VAL 38 14.315 -11.642 -4.540 322 2HG2 VAL 38 2HG2 VAL 38 15.457 -12.501 -5.573 323 3HG2 VAL 38 1HG2 VAL 38 15.409 -12.837 -3.842 324 H THR 39 H THR 39 16.189 -8.504 -1.260 325 HA THR 39 HA THR 39 17.450 -6.552 -0.859 326 HB THR 39 HB THR 39 19.889 -6.871 -1.496 327 HG1 THR 39 HG1 THR 39 20.347 -8.378 -2.867 328 1HG2 THR 39 2HG2 THR 39 18.734 -7.756 0.616 329 2HG2 THR 39 1HG2 THR 39 18.704 -9.325 -0.191 330 3HG2 THR 39 3HG2 THR 39 20.245 -8.543 0.160 331 1H GLU 41 2H GLU 41 -10.381 -10.252 -9.391 332 2H GLU 41 1H GLU 41 -10.189 -9.506 -10.905 333 3H GLU 41 3H GLU 41 -10.294 -8.559 -9.501 334 HA GLU 41 HA GLU 41 -12.377 -8.468 -10.673 335 1HB GLU 41 2HB GLU 41 -11.991 -10.735 -11.766 336 2HB GLU 41 1HB GLU 41 -12.529 -11.460 -10.251 337 1HG GLU 41 2HG GLU 41 -14.698 -10.512 -10.439 338 2HG GLU 41 1HG GLU 41 -14.184 -9.395 -11.704 339 H TYR 42 H TYR 42 -11.033 -9.483 -7.810 340 HA TYR 42 HA TYR 42 -13.644 -9.173 -6.401 341 1HB TYR 42 2HB TYR 42 -12.703 -10.691 -4.639 342 2HB TYR 42 1HB TYR 42 -12.929 -11.472 -6.198 343 HD1 TYR 42 HD1 TYR 42 -10.902 -11.546 -7.804 344 HD2 TYR 42 HD2 TYR 42 -10.589 -10.728 -3.601 345 HE1 TYR 42 HE1 TYR 42 -8.511 -12.170 -7.864 346 HE2 TYR 42 HE2 TYR 42 -8.196 -11.350 -3.659 347 HH TYR 42 HH TYR 42 -6.345 -11.363 -5.600 348 H ARG 43 H ARG 43 -11.862 -9.327 -3.841 349 HA ARG 43 HA ARG 43 -10.704 -6.581 -4.075 350 1HB ARG 43 2HB ARG 43 -11.692 -5.911 -2.015 351 2HB ARG 43 1HB ARG 43 -12.991 -6.685 -2.921 352 1HG ARG 43 2HG ARG 43 -11.923 -8.834 -1.614 353 2HG ARG 43 1HG ARG 43 -11.648 -7.556 -0.427 354 1HD ARG 43 2HD ARG 43 -13.877 -7.300 -0.008 355 2HD ARG 43 1HD ARG 43 -14.323 -7.533 -1.698 356 HE ARG 43 HE ARG 43 -13.666 -10.053 -1.066 357 1HH1 ARG 43 1HH2 ARG 43 -16.235 -8.091 -0.290 358 2HH1 ARG 43 2HH2 ARG 43 -16.810 -9.046 1.036 359 1HH2 ARG 43 2HH1 ARG 43 -14.029 -11.114 1.103 360 2HH2 ARG 43 1HH1 ARG 43 -15.563 -10.756 1.824 361 H ILE 44 H ILE 44 -8.937 -8.607 -4.329 362 HA ILE 44 HA ILE 44 -7.947 -9.940 -2.091 363 HB ILE 44 HB ILE 44 -6.802 -10.225 -4.195 364 1HG1 ILE 44 2HG1 ILE 44 -4.519 -8.896 -3.062 365 2HG1 ILE 44 1HG1 ILE 44 -5.490 -9.574 -1.749 366 1HG2 ILE 44 2HG2 ILE 44 -7.133 -7.454 -4.412 367 2HG2 ILE 44 1HG2 ILE 44 -5.388 -7.682 -4.293 368 3HG2 ILE 44 3HG2 ILE 44 -6.301 -8.500 -5.563 369 1HD1 ILE 44 1HD1 ILE 44 -5.370 -11.472 -3.908 370 2HD1 ILE 44 3HD1 ILE 44 -3.732 -10.959 -3.506 371 3HD1 ILE 44 2HD1 ILE 44 -4.771 -11.646 -2.259 372 H ASP 45 H ASP 45 -6.808 -9.320 -0.249 373 HA ASP 45 HA ASP 45 -6.741 -6.399 0.212 374 1HB ASP 45 2HB ASP 45 -6.987 -6.854 2.495 375 2HB ASP 45 1HB ASP 45 -7.874 -8.185 1.749 376 H ARG 46 H ARG 46 -4.788 -7.174 -1.488 377 HA ARG 46 HA ARG 46 -2.353 -6.621 0.092 378 1HB ARG 46 2HB ARG 46 -2.678 -9.170 -0.190 379 2HB ARG 46 1HB ARG 46 -2.339 -8.896 -1.898 380 1HG ARG 46 2HG ARG 46 -0.223 -7.678 -1.133 381 2HG ARG 46 1HG ARG 46 -0.526 -8.369 0.461 382 1HD ARG 46 2HD ARG 46 -0.484 -10.110 -1.998 383 2HD ARG 46 1HD ARG 46 1.009 -9.694 -1.157 384 HE ARG 46 HE ARG 46 -0.740 -10.628 0.827 385 1HH1 ARG 46 1HH2 ARG 46 1.646 -11.680 -1.268 386 2HH1 ARG 46 2HH2 ARG 46 1.264 -13.364 -1.149 387 1HH2 ARG 46 2HH1 ARG 46 -1.668 -12.848 0.630 388 2HH2 ARG 46 1HH1 ARG 46 -0.612 -14.025 -0.075 389 H VAL 47 H VAL 47 -0.703 -5.654 -1.225 390 HA VAL 47 HA VAL 47 -1.226 -5.308 -4.104 391 HB VAL 47 HB VAL 47 -0.676 -2.711 -2.860 392 1HG1 VAL 47 1HG1 VAL 47 -2.710 -3.791 -4.823 393 2HG1 VAL 47 3HG1 VAL 47 -2.562 -2.085 -4.400 394 3HG1 VAL 47 2HG1 VAL 47 -1.226 -2.915 -5.198 395 1HG2 VAL 47 3HG2 VAL 47 -3.271 -4.156 -2.246 396 2HG2 VAL 47 2HG2 VAL 47 -2.148 -3.440 -1.090 397 3HG2 VAL 47 1HG2 VAL 47 -3.094 -2.405 -2.158 398 H ARG 48 H ARG 48 0.618 -3.430 -4.759 399 HA ARG 48 HA ARG 48 3.138 -4.480 -3.528 400 1HB ARG 48 2HB ARG 48 2.329 -4.059 -6.350 401 2HB ARG 48 1HB ARG 48 3.974 -3.570 -5.938 402 1HG ARG 48 2HG ARG 48 2.768 -6.286 -5.319 403 2HG ARG 48 1HG ARG 48 3.851 -5.950 -6.670 404 1HD ARG 48 2HD ARG 48 5.494 -5.041 -4.902 405 2HD ARG 48 1HD ARG 48 4.465 -5.846 -3.711 406 HE ARG 48 HE ARG 48 5.404 -7.885 -4.410 407 1HH1 ARG 48 1HH2 ARG 48 4.430 -7.763 -7.217 408 2HH1 ARG 48 2HH2 ARG 48 5.905 -7.745 -8.127 409 1HH2 ARG 48 2HH1 ARG 48 7.875 -6.870 -5.411 410 2HH2 ARG 48 1HH1 ARG 48 7.854 -7.239 -7.103 411 H LEU 49 H LEU 49 2.658 -2.540 -2.033 412 HA LEU 49 HA LEU 49 2.774 0.141 -2.906 413 1HB LEU 49 2HB LEU 49 2.493 -0.850 -0.495 414 2HB LEU 49 1HB LEU 49 4.244 -0.737 -0.433 415 HG LEU 49 HG LEU 49 2.223 1.475 -0.697 416 1HD1 LEU 49 1HD1 LEU 49 4.556 0.775 1.089 417 2HD1 LEU 49 3HD1 LEU 49 3.919 2.421 1.020 418 3HD1 LEU 49 2HD1 LEU 49 2.878 1.096 1.539 419 1HD2 LEU 49 3HD2 LEU 49 3.900 1.753 -2.533 420 2HD2 LEU 49 2HD2 LEU 49 4.035 3.014 -1.306 421 3HD2 LEU 49 1HD2 LEU 49 5.190 1.680 -1.332 422 H PHE 50 H PHE 50 4.276 0.673 -4.464 423 HA PHE 50 HA PHE 50 7.068 -0.229 -4.141 424 1HB PHE 50 2HB PHE 50 5.431 0.889 -6.343 425 2HB PHE 50 1HB PHE 50 7.127 1.373 -6.325 426 HD1 PHE 50 HD2 PHE 50 5.549 -1.921 -5.355 427 HD2 PHE 50 HD1 PHE 50 8.161 0.203 -8.021 428 HE1 PHE 50 HE2 PHE 50 6.151 -4.042 -6.456 429 HE2 PHE 50 HE1 PHE 50 8.772 -1.930 -9.115 430 HZ PHE 50 HZ PHE 50 7.768 -4.056 -8.334 431 H VAL 51 H VAL 51 8.445 1.025 -2.970 432 HA VAL 51 HA VAL 51 7.809 3.937 -2.745 433 HB VAL 51 HB VAL 51 9.519 3.715 -0.776 434 1HG1 VAL 51 1HG1 VAL 51 6.690 3.358 -1.012 435 2HG1 VAL 51 3HG1 VAL 51 7.281 2.261 0.236 436 3HG1 VAL 51 2HG1 VAL 51 7.599 3.991 0.362 437 1HG2 VAL 51 2HG2 VAL 51 9.886 1.228 -1.713 438 2HG2 VAL 51 1HG2 VAL 51 10.028 1.605 0.004 439 3HG2 VAL 51 3HG2 VAL 51 8.539 0.900 -0.625 440 H ASP 52 H ASP 52 10.135 5.074 -2.111 441 HA ASP 52 HA ASP 52 12.068 4.188 -4.200 442 1HB ASP 52 2HB ASP 52 12.015 6.188 -5.287 443 2HB ASP 52 1HB ASP 52 10.467 6.400 -4.481 444 H LYS 53 H LYS 53 13.950 6.219 -3.696 445 HA LYS 53 HA LYS 53 15.550 5.179 -1.678 446 1HB LYS 53 2HB LYS 53 15.427 8.098 -2.400 447 2HB LYS 53 1HB LYS 53 16.856 7.150 -1.977 448 1HG LYS 53 2HG LYS 53 15.828 5.762 -4.122 449 2HG LYS 53 1HG LYS 53 15.462 7.430 -4.556 450 1HD LYS 53 2HD LYS 53 18.065 7.565 -3.563 451 2HD LYS 53 1HD LYS 53 18.047 6.060 -4.482 452 1HE LYS 53 2HE LYS 53 18.493 7.495 -6.218 453 2HE LYS 53 1HE LYS 53 16.735 7.623 -6.229 454 1HZ LYS 53 3HZ LYS 53 17.159 9.481 -4.506 455 2HZ LYS 53 2HZ LYS 53 18.727 9.506 -5.162 456 3HZ LYS 53 1HZ LYS 53 17.382 9.812 -6.153 457 H LEU 54 H LEU 54 13.688 8.235 -1.398 458 HA LEU 54 HA LEU 54 13.840 8.029 1.543 459 1HB LEU 54 2HB LEU 54 13.167 10.144 -0.435 460 2HB LEU 54 1HB LEU 54 12.322 10.227 1.111 461 HG LEU 54 HG LEU 54 14.516 10.079 2.280 462 1HD1 LEU 54 1HD1 LEU 54 15.391 9.275 -0.284 463 2HD1 LEU 54 3HD1 LEU 54 16.158 10.831 0.027 464 3HD1 LEU 54 2HD1 LEU 54 16.381 9.498 1.159 465 1HD2 LEU 54 3HD2 LEU 54 13.443 12.277 1.694 466 2HD2 LEU 54 2HD2 LEU 54 15.201 12.365 1.807 467 3HD2 LEU 54 1HD2 LEU 54 14.421 12.312 0.226 468 H ASP 55 H ASP 55 12.364 5.931 0.578 469 HA ASP 55 HA ASP 55 10.216 4.954 0.561 470 1HB ASP 55 2HB ASP 55 8.985 6.505 2.624 471 2HB ASP 55 1HB ASP 55 9.677 4.885 2.746 472 H ASN 56 H ASN 56 10.321 6.801 -1.436 473 HA ASN 56 HA ASN 56 7.817 8.396 -1.150 474 1HB ASN 56 2HB ASN 56 9.572 9.860 -1.810 475 2HB ASN 56 1HB ASN 56 10.207 8.695 -2.970 476 1HD2 ASN 56 2HD2 ASN 56 8.015 9.675 -5.562 477 2HD2 ASN 56 1HD2 ASN 56 9.241 8.610 -5.070 478 H ILE 57 H ILE 57 6.143 7.290 -1.852 479 HA ILE 57 HA ILE 57 6.214 5.026 -3.552 480 HB ILE 57 HB ILE 57 3.877 6.926 -3.218 481 1HG1 ILE 57 2HG1 ILE 57 4.922 4.694 -1.446 482 2HG1 ILE 57 1HG1 ILE 57 4.708 6.388 -1.010 483 1HG2 ILE 57 1HG2 ILE 57 4.220 4.560 -4.703 484 2HG2 ILE 57 3HG2 ILE 57 3.323 4.079 -3.262 485 3HG2 ILE 57 2HG2 ILE 57 2.693 5.352 -4.310 486 1HD1 ILE 57 3HD1 ILE 57 2.439 4.562 -1.842 487 2HD1 ILE 57 2HD1 ILE 57 2.877 4.888 -0.165 488 3HD1 ILE 57 1HD1 ILE 57 2.305 6.197 -1.196 489 H ALA 58 H ALA 58 7.463 5.534 -5.400 490 HA ALA 58 HA ALA 58 6.527 7.690 -7.189 491 1HB ALA 58 3HB ALA 58 8.874 5.829 -7.115 492 2HB ALA 58 2HB ALA 58 8.393 6.501 -8.675 493 3HB ALA 58 1HB ALA 58 8.840 7.577 -7.351 494 H GLN 59 H GLN 59 6.085 4.317 -6.682 495 HA GLN 59 HA GLN 59 4.591 4.137 -9.267 496 1HB GLN 59 2HB GLN 59 6.296 2.076 -7.857 497 2HB GLN 59 1HB GLN 59 5.063 1.611 -9.031 498 1HG GLN 59 2HG GLN 59 6.570 3.762 -10.154 499 2HG GLN 59 1HG GLN 59 7.710 2.566 -9.540 500 1HE2 GLN 59 2HE2 GLN 59 6.583 -0.012 -11.793 501 2HE2 GLN 59 1HE2 GLN 59 7.242 0.225 -10.247 502 H VAL 60 H VAL 60 2.751 4.915 -8.026 503 HA VAL 60 HA VAL 60 1.727 3.913 -5.650 504 HB VAL 60 HB VAL 60 0.376 4.942 -8.138 505 1HG1 VAL 60 2HG1 VAL 60 -1.154 3.320 -6.987 506 2HG1 VAL 60 1HG1 VAL 60 -0.998 4.282 -5.516 507 3HG1 VAL 60 3HG1 VAL 60 -1.742 4.981 -6.953 508 1HG2 VAL 60 2HG2 VAL 60 0.948 5.985 -5.357 509 2HG2 VAL 60 1HG2 VAL 60 1.530 6.623 -6.894 510 3HG2 VAL 60 3HG2 VAL 60 -0.170 6.792 -6.457 511 HA PRO 61 HA PRO 61 0.635 -0.283 -6.648 512 1HB PRO 61 2HB PRO 61 -0.612 -0.811 -4.260 513 2HB PRO 61 1HB PRO 61 1.149 -0.762 -4.446 514 1HG PRO 61 2HG PRO 61 -0.655 1.222 -3.153 515 2HG PRO 61 1HG PRO 61 1.066 0.918 -2.865 516 1HD PRO 61 2HD PRO 61 -0.030 3.050 -4.393 517 2HD PRO 61 1HD PRO 61 1.681 2.576 -4.315 518 H ARG 62 H ARG 62 -1.494 -1.634 -6.524 519 HA ARG 62 HA ARG 62 -3.956 0.007 -6.514 520 1HB ARG 62 2HB ARG 62 -2.579 -0.707 -8.917 521 2HB ARG 62 1HB ARG 62 -4.089 -1.616 -8.852 522 1HG ARG 62 2HG ARG 62 -4.789 0.372 -9.846 523 2HG ARG 62 1HG ARG 62 -5.113 0.697 -8.145 524 1HD ARG 62 2HD ARG 62 -3.828 2.552 -8.419 525 2HD ARG 62 1HD ARG 62 -2.459 1.442 -8.425 526 HE ARG 62 HE ARG 62 -3.822 2.350 -10.927 527 1HH1 ARG 62 2HH1 ARG 62 -2.171 0.229 -11.721 528 2HH1 ARG 62 1HH1 ARG 62 -0.578 0.892 -11.864 529 1HH2 ARG 62 1HH2 ARG 62 -1.290 3.708 -9.975 530 2HH2 ARG 62 2HH2 ARG 62 -0.080 2.859 -10.877 531 H VAL 63 H VAL 63 -5.586 -1.174 -5.602 532 HA VAL 63 HA VAL 63 -5.158 -4.097 -5.256 533 HB VAL 63 HB VAL 63 -6.430 -1.970 -3.687 534 1HG1 VAL 63 3HG1 VAL 63 -8.506 -3.096 -4.449 535 2HG1 VAL 63 2HG1 VAL 63 -7.868 -4.635 -3.873 536 3HG1 VAL 63 1HG1 VAL 63 -8.227 -3.343 -2.724 537 1HG2 VAL 63 2HG2 VAL 63 -4.937 -4.480 -3.355 538 2HG2 VAL 63 1HG2 VAL 63 -4.874 -3.004 -2.393 539 3HG2 VAL 63 3HG2 VAL 63 -6.139 -4.196 -2.098 540 H GLY 64 H GLY 64 -6.167 -5.415 -6.684 541 1HA GLY 64 2HA GLY 64 -8.747 -4.472 -7.877 542 2HA GLY 64 1HA GLY 64 -7.549 -5.377 -8.806 No H/Q in entry = 542 Start of MODEL 19 Raw file had 552 H/Q atoms Start of MODEL 19 1 1H MET 1 2H MET 1 -14.071 4.635 -5.532 2 2H MET 1 1H MET 1 -14.400 3.360 -6.604 3 3H MET 1 3H MET 1 -15.385 3.596 -5.244 4 HA MET 1 HA MET 1 -13.891 2.707 -3.794 5 1HB MET 1 2HB MET 1 -12.919 1.348 -6.312 6 2HB MET 1 1HB MET 1 -13.152 0.647 -4.710 7 1HG MET 1 2HG MET 1 -15.592 1.002 -4.914 8 2HG MET 1 1HG MET 1 -15.352 1.674 -6.527 9 1HE MET 1 1HE MET 1 -14.302 -1.124 -4.240 10 2HE MET 1 3HE MET 1 -14.142 -2.564 -5.255 11 3HE MET 1 2HE MET 1 -12.954 -1.267 -5.365 12 H LYS 2 H LYS 2 -11.934 3.089 -2.848 13 HA LYS 2 HA LYS 2 -9.968 4.694 -4.338 14 1HB LYS 2 2HB LYS 2 -10.746 4.440 -1.622 15 2HB LYS 2 1HB LYS 2 -9.064 3.916 -1.716 16 1HG LYS 2 2HG LYS 2 -10.134 6.513 -2.860 17 2HG LYS 2 1HG LYS 2 -9.256 6.366 -1.336 18 1HD LYS 2 2HD LYS 2 -7.337 5.365 -2.596 19 2HD LYS 2 1HD LYS 2 -8.206 5.686 -4.098 20 1HE LYS 2 2HE LYS 2 -6.922 7.612 -3.951 21 2HE LYS 2 1HE LYS 2 -8.370 8.135 -3.088 22 1HZ LYS 2 2HZ LYS 2 -6.360 6.766 -1.499 23 2HZ LYS 2 1HZ LYS 2 -5.924 8.305 -2.073 24 3HZ LYS 2 3HZ LYS 2 -7.312 8.120 -1.117 25 H THR 3 H THR 3 -10.146 2.133 -5.424 26 HA THR 3 HA THR 3 -7.949 0.529 -4.277 27 HB THR 3 HB THR 3 -8.544 -1.121 -5.974 28 HG1 THR 3 HG1 THR 3 -10.592 0.513 -6.927 29 1HG2 THR 3 2HG2 THR 3 -10.928 0.192 -4.650 30 2HG2 THR 3 1HG2 THR 3 -10.981 -1.396 -5.414 31 3HG2 THR 3 3HG2 THR 3 -9.951 -1.128 -4.008 32 H GLU 4 H GLU 4 -7.315 3.182 -5.364 33 HA GLU 4 HA GLU 4 -5.386 2.297 -7.464 34 1HB GLU 4 2HB GLU 4 -7.364 4.546 -7.581 35 2HB GLU 4 1HB GLU 4 -5.776 4.800 -8.308 36 1HG GLU 4 2HG GLU 4 -6.399 3.603 -10.109 37 2HG GLU 4 1HG GLU 4 -6.710 2.202 -9.083 38 H TRP 5 H TRP 5 -6.269 4.935 -5.231 39 HA TRP 5 HA TRP 5 -4.876 6.312 -3.927 40 1HB TRP 5 2HB TRP 5 -2.886 4.074 -4.405 41 2HB TRP 5 1HB TRP 5 -2.758 5.326 -3.177 42 HD1 TRP 5 HD1 TRP 5 -4.849 5.356 -1.334 43 HE1 TRP 5 HE1 TRP 5 -6.018 3.336 -0.240 44 HE3 TRP 5 HE3 TRP 5 -3.614 1.699 -4.690 45 HZ2 TRP 5 HZ2 TRP 5 -6.369 0.538 -0.714 46 HZ3 TRP 5 HZ3 TRP 5 -4.367 -0.633 -4.327 47 HH2 TRP 5 HH2 TRP 5 -5.741 -1.215 -2.348 48 HA PRO 6 HA PRO 6 -2.456 7.172 -7.906 49 1HB PRO 6 2HB PRO 6 -4.159 8.971 -9.112 50 2HB PRO 6 1HB PRO 6 -4.172 7.234 -9.469 51 1HG PRO 6 2HG PRO 6 -6.086 8.827 -7.816 52 2HG PRO 6 1HG PRO 6 -6.369 7.347 -8.749 53 1HD PRO 6 2HD PRO 6 -6.037 7.463 -5.958 54 2HD PRO 6 1HD PRO 6 -5.887 6.006 -6.954 55 H GLU 7 H GLU 7 -4.495 9.014 -5.841 56 HA GLU 7 HA GLU 7 -3.024 11.514 -5.983 57 1HB GLU 7 2HB GLU 7 -5.331 10.523 -4.614 58 2HB GLU 7 1HB GLU 7 -4.217 11.163 -3.404 59 1HG GLU 7 2HG GLU 7 -4.615 12.797 -5.863 60 2HG GLU 7 1HG GLU 7 -5.959 12.735 -4.723 61 H LEU 8 H LEU 8 -2.372 8.442 -4.680 62 HA LEU 8 HA LEU 8 -0.758 9.318 -2.427 63 1HB LEU 8 2HB LEU 8 -1.845 6.899 -3.305 64 2HB LEU 8 1HB LEU 8 -0.104 6.682 -3.472 65 HG LEU 8 HG LEU 8 0.258 7.274 -1.157 66 1HD1 LEU 8 2HD1 LEU 8 -2.546 8.235 -1.400 67 2HD1 LEU 8 1HD1 LEU 8 -2.089 7.527 0.148 68 3HD1 LEU 8 3HD1 LEU 8 -1.200 8.912 -0.484 69 1HD2 LEU 8 1HD2 LEU 8 -1.323 5.058 -2.007 70 2HD2 LEU 8 3HD2 LEU 8 -0.259 5.153 -0.603 71 3HD2 LEU 8 2HD2 LEU 8 -1.960 5.596 -0.453 72 H VAL 9 H VAL 9 -0.303 9.491 -5.731 73 HA VAL 9 HA VAL 9 2.329 8.602 -6.137 74 HB VAL 9 HB VAL 9 0.846 10.989 -7.266 75 1HG1 VAL 9 3HG1 VAL 9 3.364 11.393 -7.184 76 2HG1 VAL 9 2HG1 VAL 9 3.542 9.969 -8.215 77 3HG1 VAL 9 1HG1 VAL 9 2.662 11.378 -8.807 78 1HG2 VAL 9 3HG2 VAL 9 1.275 8.155 -7.967 79 2HG2 VAL 9 2HG2 VAL 9 -0.038 9.239 -8.421 80 3HG2 VAL 9 1HG2 VAL 9 1.483 9.274 -9.311 81 H GLY 10 H GLY 10 4.363 9.681 -5.963 82 1HA GLY 10 2HA GLY 10 5.933 10.834 -4.650 83 2HA GLY 10 1HA GLY 10 4.905 12.217 -5.034 84 H LYS 11 H LYS 11 3.539 9.577 -3.197 85 HA LYS 11 HA LYS 11 3.396 11.408 -0.856 86 1HB LYS 11 2HB LYS 11 1.354 10.162 -1.982 87 2HB LYS 11 1HB LYS 11 1.905 8.810 -0.990 88 1HG LYS 11 2HG LYS 11 0.674 9.761 0.663 89 2HG LYS 11 1HG LYS 11 1.998 10.921 0.784 90 1HD LYS 11 2HD LYS 11 0.789 12.226 -1.083 91 2HD LYS 11 1HD LYS 11 -0.605 11.209 -0.717 92 1HE LYS 11 2HE LYS 11 0.703 12.404 1.646 93 2HE LYS 11 1HE LYS 11 -0.059 13.563 0.558 94 1HZ LYS 11 3HZ LYS 11 -1.927 11.673 0.667 95 2HZ LYS 11 2HZ LYS 11 -1.259 11.510 2.220 96 3HZ LYS 11 1HZ LYS 11 -1.887 13.006 1.715 97 H SER 12 H SER 12 2.784 8.769 0.726 98 HA SER 12 HA SER 12 5.513 7.641 0.837 99 1HB SER 12 2HB SER 12 4.654 9.704 2.592 100 2HB SER 12 1HB SER 12 4.755 8.216 3.532 101 HG SER 12 HG SER 12 6.758 9.399 3.364 102 H VAL 13 H VAL 13 5.631 5.680 2.074 103 HA VAL 13 HA VAL 13 3.460 3.924 1.820 104 HB VAL 13 HB VAL 13 5.800 3.882 3.738 105 1HG1 VAL 13 3HG1 VAL 13 3.515 1.979 3.346 106 2HG1 VAL 13 2HG1 VAL 13 5.115 1.330 3.701 107 3HG1 VAL 13 1HG1 VAL 13 4.342 2.437 4.835 108 1HG2 VAL 13 1HG2 VAL 13 5.248 2.970 0.966 109 2HG2 VAL 13 3HG2 VAL 13 6.773 3.462 1.707 110 3HG2 VAL 13 2HG2 VAL 13 6.141 1.840 1.984 111 H GLU 14 H GLU 14 4.229 6.204 4.369 112 HA GLU 14 HA GLU 14 2.668 5.297 6.504 113 1HB GLU 14 2HB GLU 14 3.240 8.068 5.459 114 2HB GLU 14 1HB GLU 14 2.201 7.835 6.866 115 1HG GLU 14 2HG GLU 14 4.240 6.237 7.587 116 2HG GLU 14 1HG GLU 14 5.129 7.376 6.575 117 H GLU 15 H GLU 15 1.401 7.844 4.334 118 HA GLU 15 HA GLU 15 -1.337 7.324 4.921 119 1HB GLU 15 2HB GLU 15 0.062 9.146 3.351 120 2HB GLU 15 1HB GLU 15 -0.862 8.213 2.170 121 1HG GLU 15 2HG GLU 15 -2.470 9.768 2.731 122 2HG GLU 15 1HG GLU 15 -2.803 8.564 3.978 123 H ALA 16 H ALA 16 0.908 5.798 2.699 124 HA ALA 16 HA ALA 16 -0.988 4.464 1.044 125 1HB ALA 16 1HB ALA 16 1.460 4.581 0.580 126 2HB ALA 16 3HB ALA 16 1.733 3.457 1.907 127 3HB ALA 16 2HB ALA 16 0.835 2.935 0.487 128 H LYS 17 H LYS 17 0.983 2.447 3.209 129 HA LYS 17 HA LYS 17 -0.920 0.436 3.551 130 1HB LYS 17 2HB LYS 17 1.558 0.737 4.490 131 2HB LYS 17 1HB LYS 17 0.690 1.214 5.950 132 1HG LYS 17 2HG LYS 17 0.056 -1.328 4.442 133 2HG LYS 17 1HG LYS 17 1.234 -1.271 5.752 134 1HD LYS 17 2HD LYS 17 -1.141 0.082 6.611 135 2HD LYS 17 1HD LYS 17 -1.598 -1.493 5.960 136 1HE LYS 17 2HE LYS 17 -0.750 -2.546 7.759 137 2HE LYS 17 1HE LYS 17 0.799 -1.725 7.564 138 1HZ LYS 17 1HZ LYS 17 -0.228 0.236 8.644 139 2HZ LYS 17 3HZ LYS 17 -1.603 -0.701 8.972 140 3HZ LYS 17 2HZ LYS 17 -0.107 -1.118 9.664 141 H LYS 18 H LYS 18 -0.631 3.493 5.225 142 HA LYS 18 HA LYS 18 -2.352 3.214 7.387 143 1HB LYS 18 2HB LYS 18 -1.153 5.271 7.045 144 2HB LYS 18 1HB LYS 18 -1.960 5.548 5.498 145 1HG LYS 18 2HG LYS 18 -3.685 6.563 6.529 146 2HG LYS 18 1HG LYS 18 -3.924 5.170 7.584 147 1HD LYS 18 2HD LYS 18 -1.630 7.011 8.147 148 2HD LYS 18 1HD LYS 18 -3.254 7.526 8.600 149 1HE LYS 18 2HE LYS 18 -3.488 5.869 10.189 150 2HE LYS 18 1HE LYS 18 -2.438 4.747 9.325 151 1HZ LYS 18 2HZ LYS 18 -1.134 7.153 10.249 152 2HZ LYS 18 1HZ LYS 18 -1.707 6.146 11.492 153 3HZ LYS 18 3HZ LYS 18 -0.622 5.537 10.339 154 H VAL 19 H VAL 19 -3.550 4.955 4.551 155 HA VAL 19 HA VAL 19 -6.292 4.190 5.137 156 HB VAL 19 HB VAL 19 -5.600 5.242 2.430 157 1HG1 VAL 19 1HG1 VAL 19 -7.796 5.232 4.307 158 2HG1 VAL 19 3HG1 VAL 19 -7.391 6.891 3.867 159 3HG1 VAL 19 2HG1 VAL 19 -7.791 5.719 2.612 160 1HG2 VAL 19 3HG2 VAL 19 -4.741 6.511 4.991 161 2HG2 VAL 19 2HG2 VAL 19 -4.050 6.671 3.378 162 3HG2 VAL 19 1HG2 VAL 19 -5.509 7.567 3.807 163 H ILE 20 H ILE 20 -3.970 3.261 2.608 164 HA ILE 20 HA ILE 20 -5.434 1.639 0.950 165 HB ILE 20 HB ILE 20 -2.736 1.060 2.205 166 1HG1 ILE 20 2HG1 ILE 20 -3.385 1.884 -0.628 167 2HG1 ILE 20 1HG1 ILE 20 -3.126 3.074 0.646 168 1HG2 ILE 20 3HG2 ILE 20 -4.457 -0.625 0.551 169 2HG2 ILE 20 2HG2 ILE 20 -2.896 -0.319 -0.211 170 3HG2 ILE 20 1HG2 ILE 20 -2.966 -1.039 1.398 171 1HD1 ILE 20 1HD1 ILE 20 -0.967 1.472 1.028 172 2HD1 ILE 20 3HD1 ILE 20 -1.185 1.296 -0.712 173 3HD1 ILE 20 2HD1 ILE 20 -0.948 2.896 -0.011 174 H LEU 21 H LEU 21 -4.079 0.550 4.085 175 HA LEU 21 HA LEU 21 -4.957 -2.035 4.263 176 1HB LEU 21 2HB LEU 21 -3.844 -0.973 6.138 177 2HB LEU 21 1HB LEU 21 -5.225 0.097 6.398 178 HG LEU 21 HG LEU 21 -6.175 -2.604 6.352 179 1HD1 LEU 21 2HD1 LEU 21 -3.530 -2.293 7.512 180 2HD1 LEU 21 1HD1 LEU 21 -4.704 -2.778 8.736 181 3HD1 LEU 21 3HD1 LEU 21 -4.483 -3.761 7.289 182 1HD2 LEU 21 1HD2 LEU 21 -7.208 -0.653 7.492 183 2HD2 LEU 21 3HD2 LEU 21 -6.955 -1.999 8.604 184 3HD2 LEU 21 2HD2 LEU 21 -5.858 -0.619 8.627 185 H GLN 22 H GLN 22 -7.065 0.783 4.947 186 HA GLN 22 HA GLN 22 -9.362 -0.995 4.273 187 1HB GLN 22 2HB GLN 22 -8.747 0.189 6.833 188 2HB GLN 22 1HB GLN 22 -10.271 0.830 6.221 189 1HG GLN 22 2HG GLN 22 -11.156 -1.413 5.896 190 2HG GLN 22 1HG GLN 22 -9.605 -2.132 6.331 191 1HE2 GLN 22 2HE2 GLN 22 -10.765 -2.357 9.655 192 2HE2 GLN 22 1HE2 GLN 22 -10.119 -3.162 8.306 193 H ASP 23 H ASP 23 -8.230 0.846 2.454 194 HA ASP 23 HA ASP 23 -9.540 3.413 2.559 195 1HB ASP 23 2HB ASP 23 -7.610 2.336 0.943 196 2HB ASP 23 1HB ASP 23 -9.012 2.300 -0.126 197 H LYS 24 H LYS 24 -10.385 0.284 1.121 198 HA LYS 24 HA LYS 24 -13.119 1.387 0.719 199 1HB LYS 24 2HB LYS 24 -13.195 -0.589 -1.060 200 2HB LYS 24 1HB LYS 24 -12.561 0.992 -1.461 201 1HG LYS 24 2HG LYS 24 -10.578 -0.855 -0.282 202 2HG LYS 24 1HG LYS 24 -11.175 -1.319 -1.873 203 1HD LYS 24 2HD LYS 24 -10.168 0.452 -2.900 204 2HD LYS 24 1HD LYS 24 -10.475 1.543 -1.550 205 1HE LYS 24 2HE LYS 24 -8.099 1.202 -1.629 206 2HE LYS 24 1HE LYS 24 -8.699 0.263 -0.261 207 1HZ LYS 24 1HZ LYS 24 -8.895 -1.588 -2.064 208 2HZ LYS 24 3HZ LYS 24 -7.721 -0.664 -2.866 209 3HZ LYS 24 2HZ LYS 24 -7.404 -1.274 -1.313 210 HA PRO 25 HA PRO 25 -14.310 -2.518 2.802 211 1HB PRO 25 2HB PRO 25 -13.386 -4.992 2.065 212 2HB PRO 25 1HB PRO 25 -14.720 -4.177 1.230 213 1HG PRO 25 2HG PRO 25 -11.922 -4.595 0.324 214 2HG PRO 25 1HG PRO 25 -13.384 -4.322 -0.635 215 1HD PRO 25 2HD PRO 25 -11.382 -2.410 -0.020 216 2HD PRO 25 1HD PRO 25 -12.949 -2.106 -0.787 217 H GLU 26 H GLU 26 -11.298 -4.222 2.023 218 HA GLU 26 HA GLU 26 -9.859 -3.210 4.348 219 1HB GLU 26 2HB GLU 26 -10.415 -6.177 4.358 220 2HB GLU 26 1HB GLU 26 -9.775 -5.168 5.655 221 1HG GLU 26 2HG GLU 26 -11.956 -4.040 5.865 222 2HG GLU 26 1HG GLU 26 -12.600 -5.039 4.559 223 H ALA 27 H ALA 27 -8.998 -2.959 1.839 224 HA ALA 27 HA ALA 27 -7.413 -5.315 1.089 225 1HB ALA 27 2HB ALA 27 -8.214 -2.770 -0.182 226 2HB ALA 27 1HB ALA 27 -6.602 -3.339 -0.610 227 3HB ALA 27 3HB ALA 27 -8.005 -4.368 -0.902 228 H GLN 28 H GLN 28 -5.433 -5.628 1.979 229 HA GLN 28 HA GLN 28 -4.074 -3.373 3.314 230 1HB GLN 28 2HB GLN 28 -3.011 -6.187 3.072 231 2HB GLN 28 1HB GLN 28 -2.707 -5.003 4.344 232 1HG GLN 28 2HG GLN 28 -5.297 -5.141 4.732 233 2HG GLN 28 1HG GLN 28 -5.158 -6.679 3.879 234 1HE2 GLN 28 2HE2 GLN 28 -4.442 -6.878 7.687 235 2HE2 GLN 28 1HE2 GLN 28 -5.583 -5.914 6.879 236 H ILE 29 H ILE 29 -1.474 -3.631 2.963 237 HA ILE 29 HA ILE 29 -0.926 -4.035 0.087 238 HB ILE 29 HB ILE 29 -1.562 -1.670 0.260 239 1HG1 ILE 29 2HG1 ILE 29 1.403 -1.536 0.030 240 2HG1 ILE 29 1HG1 ILE 29 0.575 -2.694 -1.014 241 1HG2 ILE 29 2HG2 ILE 29 -0.622 -1.696 2.756 242 2HG2 ILE 29 1HG2 ILE 29 0.835 -1.108 1.957 243 3HG2 ILE 29 3HG2 ILE 29 -0.673 -0.206 1.814 244 1HD1 ILE 29 2HD1 ILE 29 -1.038 -0.566 -1.375 245 2HD1 ILE 29 1HD1 ILE 29 0.471 0.280 -1.026 246 3HD1 ILE 29 3HD1 ILE 29 0.388 -0.857 -2.370 247 H ILE 30 H ILE 30 0.978 -5.036 -0.157 248 HA ILE 30 HA ILE 30 2.788 -5.354 2.147 249 HB ILE 30 HB ILE 30 2.567 -6.584 -0.602 250 1HG1 ILE 30 2HG1 ILE 30 2.702 -7.936 2.097 251 2HG1 ILE 30 1HG1 ILE 30 1.182 -7.336 1.434 252 1HG2 ILE 30 2HG2 ILE 30 4.920 -6.471 1.204 253 2HG2 ILE 30 1HG2 ILE 30 4.533 -8.046 0.506 254 3HG2 ILE 30 3HG2 ILE 30 4.846 -6.668 -0.548 255 1HD1 ILE 30 3HD1 ILE 30 2.164 -8.699 -0.714 256 2HD1 ILE 30 2HD1 ILE 30 2.809 -9.668 0.612 257 3HD1 ILE 30 1HD1 ILE 30 1.071 -9.404 0.476 258 H VAL 31 H VAL 31 4.250 -3.688 2.391 259 HA VAL 31 HA VAL 31 5.145 -2.220 -0.001 260 HB VAL 31 HB VAL 31 4.600 -0.900 1.979 261 1HG1 VAL 31 1HG1 VAL 31 6.740 -2.585 3.314 262 2HG1 VAL 31 3HG1 VAL 31 6.000 -1.156 4.035 263 3HG1 VAL 31 2HG1 VAL 31 5.019 -2.582 3.697 264 1HG2 VAL 31 3HG2 VAL 31 7.532 -1.068 1.256 265 2HG2 VAL 31 2HG2 VAL 31 6.335 0.084 0.667 266 3HG2 VAL 31 1HG2 VAL 31 6.903 0.178 2.333 267 H LEU 32 H LEU 32 7.302 -2.131 -0.703 268 HA LEU 32 HA LEU 32 9.323 -3.783 0.680 269 1HB LEU 32 2HB LEU 32 9.801 -5.131 -1.311 270 2HB LEU 32 1HB LEU 32 8.135 -5.378 -0.810 271 HG LEU 32 HG LEU 32 8.318 -3.153 -2.636 272 1HD1 LEU 32 1HD1 LEU 32 10.281 -5.067 -3.121 273 2HD1 LEU 32 3HD1 LEU 32 8.957 -5.566 -4.173 274 3HD1 LEU 32 2HD1 LEU 32 9.630 -3.942 -4.312 275 1HD2 LEU 32 1HD2 LEU 32 6.519 -5.094 -1.941 276 2HD2 LEU 32 3HD2 LEU 32 6.386 -4.121 -3.404 277 3HD2 LEU 32 2HD2 LEU 32 7.110 -5.727 -3.476 278 HA PRO 33 HA PRO 33 12.002 -0.761 -0.968 279 1HB PRO 33 2HB PRO 33 14.339 -2.193 -1.103 280 2HB PRO 33 1HB PRO 33 13.615 -1.635 0.414 281 1HG PRO 33 2HG PRO 33 13.688 -4.387 -0.728 282 2HG PRO 33 1HG PRO 33 13.579 -3.876 0.966 283 1HD PRO 33 2HD PRO 33 11.436 -4.788 -0.634 284 2HD PRO 33 1HD PRO 33 11.291 -3.977 0.939 285 H VAL 34 H VAL 34 10.493 -2.245 -3.068 286 HA VAL 34 HA VAL 34 10.526 -2.272 -5.412 287 HB VAL 34 HB VAL 34 13.403 -1.336 -5.270 288 1HG1 VAL 34 1HG1 VAL 34 11.241 -1.486 -7.309 289 2HG1 VAL 34 3HG1 VAL 34 12.263 -0.050 -7.340 290 3HG1 VAL 34 2HG1 VAL 34 12.986 -1.650 -7.506 291 1HG2 VAL 34 1HG2 VAL 34 11.659 -0.011 -3.842 292 2HG2 VAL 34 3HG2 VAL 34 12.703 0.881 -4.950 293 3HG2 VAL 34 2HG2 VAL 34 11.038 0.519 -5.406 294 H GLY 35 H GLY 35 13.989 -3.000 -4.862 295 1HA GLY 35 2HA GLY 35 15.201 -4.959 -5.284 296 2HA GLY 35 1HA GLY 35 13.730 -5.836 -4.860 297 H THR 36 H THR 36 15.282 -6.844 -6.897 298 HA THR 36 HA THR 36 14.169 -5.884 -9.459 299 HB THR 36 HB THR 36 16.449 -6.522 -9.641 300 HG1 THR 36 HG1 THR 36 16.329 -8.170 -11.090 301 1HG2 THR 36 2HG2 THR 36 15.611 -8.884 -7.963 302 2HG2 THR 36 1HG2 THR 36 17.120 -8.891 -8.873 303 3HG2 THR 36 3HG2 THR 36 16.853 -7.681 -7.618 304 H ILE 37 H ILE 37 12.256 -6.898 -7.598 305 HA ILE 37 HA ILE 37 10.401 -8.316 -7.601 306 HB ILE 37 HB ILE 37 11.185 -8.050 -10.316 307 1HG1 ILE 37 2HG1 ILE 37 8.730 -8.848 -10.609 308 2HG1 ILE 37 1HG1 ILE 37 8.707 -8.919 -8.846 309 1HG2 ILE 37 3HG2 ILE 37 11.945 -10.423 -10.221 310 2HG2 ILE 37 2HG2 ILE 37 10.328 -10.894 -9.697 311 3HG2 ILE 37 1HG2 ILE 37 10.567 -10.200 -11.300 312 1HD1 ILE 37 2HD1 ILE 37 9.860 -6.446 -9.991 313 2HD1 ILE 37 1HD1 ILE 37 8.133 -6.670 -10.269 314 3HD1 ILE 37 3HD1 ILE 37 8.765 -6.650 -8.623 315 H VAL 38 H VAL 38 9.988 -10.436 -6.867 316 HA VAL 38 HA VAL 38 12.261 -11.921 -5.935 317 HB VAL 38 HB VAL 38 9.441 -12.978 -6.233 318 1HG1 VAL 38 2HG1 VAL 38 11.876 -13.982 -5.112 319 2HG1 VAL 38 1HG1 VAL 38 10.743 -13.677 -3.795 320 3HG1 VAL 38 3HG1 VAL 38 10.284 -14.742 -5.124 321 1HG2 VAL 38 1HG2 VAL 38 10.149 -10.624 -4.938 322 2HG2 VAL 38 3HG2 VAL 38 8.712 -11.589 -4.598 323 3HG2 VAL 38 2HG2 VAL 38 10.179 -11.823 -3.645 324 H THR 39 H THR 39 13.299 -13.690 -6.824 325 HA THR 39 HA THR 39 12.128 -15.099 -9.124 326 HB THR 39 HB THR 39 13.123 -13.308 -10.354 327 HG1 THR 39 HG1 THR 39 13.850 -15.686 -10.681 328 1HG2 THR 39 1HG2 THR 39 14.468 -12.396 -8.485 329 2HG2 THR 39 3HG2 THR 39 15.605 -13.732 -8.664 330 3HG2 THR 39 2HG2 THR 39 15.426 -12.548 -9.959 331 1H GLU 41 1H GLU 41 -8.959 -9.350 -9.100 332 2H GLU 41 3H GLU 41 -7.885 -10.663 -9.154 333 3H GLU 41 2H GLU 41 -8.398 -9.927 -10.596 334 HA GLU 41 HA GLU 41 -10.241 -11.132 -10.693 335 1HB GLU 41 2HB GLU 41 -8.527 -12.499 -8.676 336 2HB GLU 41 1HB GLU 41 -10.171 -13.100 -8.894 337 1HG GLU 41 2HG GLU 41 -9.004 -14.343 -10.490 338 2HG GLU 41 1HG GLU 41 -9.581 -12.981 -11.450 339 H TYR 42 H TYR 42 -9.597 -10.656 -7.259 340 HA TYR 42 HA TYR 42 -12.434 -9.792 -6.929 341 1HB TYR 42 2HB TYR 42 -12.577 -10.999 -4.829 342 2HB TYR 42 1HB TYR 42 -12.053 -12.130 -6.077 343 HD1 TYR 42 HD1 TYR 42 -9.439 -12.310 -6.412 344 HD2 TYR 42 HD2 TYR 42 -11.346 -10.872 -2.845 345 HE1 TYR 42 HE1 TYR 42 -7.389 -12.801 -5.121 346 HE2 TYR 42 HE2 TYR 42 -9.294 -11.363 -1.550 347 HH TYR 42 HH TYR 42 -7.118 -13.292 -2.216 348 H ARG 43 H ARG 43 -11.978 -9.379 -4.042 349 HA ARG 43 HA ARG 43 -10.515 -6.816 -4.288 350 1HB ARG 43 2HB ARG 43 -11.605 -6.141 -2.290 351 2HB ARG 43 1HB ARG 43 -12.825 -7.050 -3.179 352 1HG ARG 43 2HG ARG 43 -11.814 -9.091 -1.802 353 2HG ARG 43 1HG ARG 43 -11.333 -7.804 -0.692 354 1HD ARG 43 2HD ARG 43 -13.437 -7.635 0.080 355 2HD ARG 43 1HD ARG 43 -14.043 -7.349 -1.551 356 HE ARG 43 HE ARG 43 -14.880 -9.538 -1.459 357 1HH1 ARG 43 2HH1 ARG 43 -13.071 -11.426 -1.895 358 2HH1 ARG 43 1HH1 ARG 43 -12.592 -12.118 -0.381 359 1HH2 ARG 43 1HH2 ARG 43 -13.812 -9.476 1.510 360 2HH2 ARG 43 2HH2 ARG 43 -13.014 -11.013 1.551 361 H ILE 44 H ILE 44 -8.669 -8.787 -4.473 362 HA ILE 44 HA ILE 44 -7.603 -10.023 -2.231 363 HB ILE 44 HB ILE 44 -6.441 -10.220 -4.349 364 1HG1 ILE 44 2HG1 ILE 44 -4.276 -8.757 -3.074 365 2HG1 ILE 44 1HG1 ILE 44 -5.202 -9.672 -1.880 366 1HG2 ILE 44 1HG2 ILE 44 -7.013 -7.787 -4.981 367 2HG2 ILE 44 3HG2 ILE 44 -5.572 -7.338 -4.070 368 3HG2 ILE 44 2HG2 ILE 44 -5.432 -8.385 -5.482 369 1HD1 ILE 44 3HD1 ILE 44 -4.408 -10.988 -4.464 370 2HD1 ILE 44 2HD1 ILE 44 -3.226 -10.844 -3.163 371 3HD1 ILE 44 1HD1 ILE 44 -4.731 -11.724 -2.894 372 H ASP 45 H ASP 45 -6.339 -9.333 -0.445 373 HA ASP 45 HA ASP 45 -6.556 -6.414 0.035 374 1HB ASP 45 2HB ASP 45 -6.784 -6.876 2.322 375 2HB ASP 45 1HB ASP 45 -7.631 -8.220 1.553 376 H ARG 46 H ARG 46 -4.441 -7.109 -1.581 377 HA ARG 46 HA ARG 46 -2.207 -6.257 0.127 378 1HB ARG 46 2HB ARG 46 -0.887 -8.116 -0.034 379 2HB ARG 46 1HB ARG 46 -2.427 -8.939 -0.234 380 1HG ARG 46 2HG ARG 46 -2.184 -8.993 -2.626 381 2HG ARG 46 1HG ARG 46 -0.798 -7.900 -2.572 382 1HD ARG 46 2HD ARG 46 -0.043 -10.220 -2.871 383 2HD ARG 46 1HD ARG 46 0.488 -9.594 -1.307 384 HE ARG 46 HE ARG 46 -1.997 -10.856 -0.867 385 1HH1 ARG 46 1HH2 ARG 46 1.331 -11.405 -0.911 386 2HH1 ARG 46 2HH2 ARG 46 1.215 -13.129 -0.806 387 1HH2 ARG 46 2HH1 ARG 46 -2.228 -13.191 -1.200 388 2HH2 ARG 46 1HH1 ARG 46 -0.799 -14.141 -0.968 389 H VAL 47 H VAL 47 -0.490 -5.318 -1.120 390 HA VAL 47 HA VAL 47 -0.827 -5.086 -4.034 391 HB VAL 47 HB VAL 47 -0.851 -2.621 -2.270 392 1HG1 VAL 47 3HG1 VAL 47 -0.860 -3.154 -5.234 393 2HG1 VAL 47 2HG1 VAL 47 -1.575 -1.677 -4.589 394 3HG1 VAL 47 1HG1 VAL 47 0.134 -2.020 -4.318 395 1HG2 VAL 47 3HG2 VAL 47 -3.074 -3.927 -3.871 396 2HG2 VAL 47 2HG2 VAL 47 -2.973 -3.868 -2.111 397 3HG2 VAL 47 1HG2 VAL 47 -3.191 -2.380 -3.034 398 H ARG 48 H ARG 48 1.096 -3.964 -5.011 399 HA ARG 48 HA ARG 48 3.505 -4.588 -3.401 400 1HB ARG 48 2HB ARG 48 2.866 -4.796 -6.149 401 2HB ARG 48 1HB ARG 48 4.103 -3.539 -6.023 402 1HG ARG 48 2HG ARG 48 5.042 -5.857 -6.285 403 2HG ARG 48 1HG ARG 48 5.585 -5.031 -4.827 404 1HD ARG 48 2HD ARG 48 4.806 -7.482 -4.583 405 2HD ARG 48 1HD ARG 48 4.162 -6.311 -3.432 406 HE ARG 48 HE ARG 48 2.123 -6.229 -5.000 407 1HH1 ARG 48 1HH2 ARG 48 3.735 -8.315 -6.741 408 2HH1 ARG 48 2HH2 ARG 48 2.806 -9.737 -6.401 409 1HH2 ARG 48 2HH1 ARG 48 1.146 -8.326 -3.701 410 2HH2 ARG 48 1HH1 ARG 48 1.342 -9.744 -4.676 411 H LEU 49 H LEU 49 3.334 -2.710 -1.958 412 HA LEU 49 HA LEU 49 3.483 -0.055 -3.175 413 1HB LEU 49 2HB LEU 49 2.382 -0.230 -1.016 414 2HB LEU 49 1HB LEU 49 3.823 -0.951 -0.300 415 HG LEU 49 HG LEU 49 5.018 1.061 -0.343 416 1HD1 LEU 49 3HD1 LEU 49 3.058 1.974 -2.472 417 2HD1 LEU 49 2HD1 LEU 49 4.254 3.038 -1.733 418 3HD1 LEU 49 1HD1 LEU 49 4.779 1.645 -2.682 419 1HD2 LEU 49 2HD2 LEU 49 2.271 1.181 0.531 420 2HD2 LEU 49 1HD2 LEU 49 3.686 1.963 1.234 421 3HD2 LEU 49 3HD2 LEU 49 2.779 2.769 -0.046 422 H PHE 50 H PHE 50 5.361 -0.389 -4.483 423 HA PHE 50 HA PHE 50 7.947 -1.086 -3.415 424 1HB PHE 50 2HB PHE 50 6.867 0.204 -5.895 425 2HB PHE 50 1HB PHE 50 8.596 0.361 -5.571 426 HD1 PHE 50 HD2 PHE 50 7.185 -2.646 -4.180 427 HD2 PHE 50 HD1 PHE 50 8.728 -0.916 -7.796 428 HE1 PHE 50 HE2 PHE 50 7.485 -4.908 -5.148 429 HE2 PHE 50 HE1 PHE 50 9.032 -3.176 -8.753 430 HZ PHE 50 HZ PHE 50 8.410 -5.176 -7.428 431 H VAL 51 H VAL 51 9.575 1.099 -4.222 432 HA VAL 51 HA VAL 51 8.555 3.497 -2.828 433 HB VAL 51 HB VAL 51 10.705 3.584 -1.448 434 1HG1 VAL 51 2HG1 VAL 51 8.273 2.637 -0.805 435 2HG1 VAL 51 1HG1 VAL 51 9.209 1.161 -0.568 436 3HG1 VAL 51 3HG1 VAL 51 9.619 2.619 0.339 437 1HG2 VAL 51 3HG2 VAL 51 11.755 1.738 -2.895 438 2HG2 VAL 51 2HG2 VAL 51 11.980 1.594 -1.151 439 3HG2 VAL 51 1HG2 VAL 51 10.769 0.606 -1.970 440 H ASP 52 H ASP 52 10.064 5.371 -3.203 441 HA ASP 52 HA ASP 52 11.665 4.898 -5.680 442 1HB ASP 52 2HB ASP 52 10.469 6.565 -6.612 443 2HB ASP 52 1HB ASP 52 9.564 6.764 -5.114 444 H LYS 53 H LYS 53 11.620 7.467 -3.160 445 HA LYS 53 HA LYS 53 14.585 7.405 -3.152 446 1HB LYS 53 2HB LYS 53 12.598 9.242 -1.776 447 2HB LYS 53 1HB LYS 53 14.348 9.429 -1.712 448 1HG LYS 53 2HG LYS 53 12.527 9.693 -4.110 449 2HG LYS 53 1HG LYS 53 13.630 10.896 -3.443 450 1HD LYS 53 2HD LYS 53 14.439 8.295 -4.779 451 2HD LYS 53 1HD LYS 53 14.578 9.906 -5.483 452 1HE LYS 53 2HE LYS 53 16.404 10.449 -4.221 453 2HE LYS 53 1HE LYS 53 15.822 9.564 -2.813 454 1HZ LYS 53 1HZ LYS 53 16.941 8.320 -5.263 455 2HZ LYS 53 3HZ LYS 53 17.785 8.536 -3.809 456 3HZ LYS 53 2HZ LYS 53 16.438 7.501 -3.862 457 H LEU 54 H LEU 54 12.289 7.909 -0.511 458 HA LEU 54 HA LEU 54 13.429 5.577 0.951 459 1HB LEU 54 2HB LEU 54 13.684 8.416 1.638 460 2HB LEU 54 1HB LEU 54 12.928 7.476 2.924 461 HG LEU 54 HG LEU 54 14.998 5.834 2.106 462 1HD1 LEU 54 3HD1 LEU 54 15.678 8.702 1.641 463 2HD1 LEU 54 2HD1 LEU 54 16.898 7.702 2.430 464 3HD1 LEU 54 1HD1 LEU 54 16.291 7.258 0.835 465 1HD2 LEU 54 3HD2 LEU 54 14.282 7.511 4.383 466 2HD2 LEU 54 2HD2 LEU 54 15.028 5.913 4.366 467 3HD2 LEU 54 1HD2 LEU 54 16.030 7.356 4.213 468 H ASP 55 H ASP 55 11.150 5.249 -0.280 469 HA ASP 55 HA ASP 55 9.025 4.373 0.301 470 1HB ASP 55 2HB ASP 55 8.186 4.480 2.427 471 2HB ASP 55 1HB ASP 55 9.854 4.903 2.798 472 H ASN 56 H ASN 56 9.928 6.805 -1.175 473 HA ASN 56 HA ASN 56 7.586 8.603 -0.961 474 1HB ASN 56 2HB ASN 56 9.808 9.605 -1.375 475 2HB ASN 56 1HB ASN 56 9.971 8.637 -2.844 476 1HD2 ASN 56 2HD2 ASN 56 8.520 12.108 -3.545 477 2HD2 ASN 56 1HD2 ASN 56 9.835 11.634 -2.583 478 H ILE 57 H ILE 57 5.990 7.097 -1.544 479 HA ILE 57 HA ILE 57 5.814 5.269 -3.532 480 HB ILE 57 HB ILE 57 3.607 7.308 -3.342 481 1HG1 ILE 57 2HG1 ILE 57 4.449 5.227 -1.299 482 2HG1 ILE 57 1HG1 ILE 57 4.235 6.958 -1.039 483 1HG2 ILE 57 2HG2 ILE 57 3.995 4.631 -4.381 484 2HG2 ILE 57 1HG2 ILE 57 2.705 4.645 -3.180 485 3HG2 ILE 57 3HG2 ILE 57 2.615 5.713 -4.582 486 1HD1 ILE 57 2HD1 ILE 57 1.786 6.492 -1.872 487 2HD1 ILE 57 1HD1 ILE 57 2.149 4.833 -1.400 488 3HD1 ILE 57 3HD1 ILE 57 2.228 6.126 -0.203 489 H ALA 58 H ALA 58 7.198 5.768 -5.274 490 HA ALA 58 HA ALA 58 6.501 8.057 -7.016 491 1HB ALA 58 1HB ALA 58 8.686 5.977 -7.013 492 2HB ALA 58 3HB ALA 58 8.363 6.926 -8.464 493 3HB ALA 58 2HB ALA 58 8.837 7.734 -6.969 494 H GLN 59 H GLN 59 5.775 4.740 -6.603 495 HA GLN 59 HA GLN 59 4.373 4.702 -9.242 496 1HB GLN 59 2HB GLN 59 5.832 2.433 -7.849 497 2HB GLN 59 1HB GLN 59 4.772 2.216 -9.242 498 1HG GLN 59 2HG GLN 59 6.242 3.974 -10.418 499 2HG GLN 59 1HG GLN 59 7.392 3.710 -9.105 500 1HE2 GLN 59 2HE2 GLN 59 8.205 0.370 -10.153 501 2HE2 GLN 59 1HE2 GLN 59 8.121 1.378 -8.790 502 H VAL 60 H VAL 60 2.502 5.466 -8.034 503 HA VAL 60 HA VAL 60 1.401 4.548 -5.703 504 HB VAL 60 HB VAL 60 0.109 5.310 -8.310 505 1HG1 VAL 60 3HG1 VAL 60 -1.300 4.432 -5.770 506 2HG1 VAL 60 2HG1 VAL 60 -2.085 5.283 -7.101 507 3HG1 VAL 60 1HG1 VAL 60 -1.421 3.669 -7.355 508 1HG2 VAL 60 3HG2 VAL 60 1.231 6.897 -6.582 509 2HG2 VAL 60 2HG2 VAL 60 -0.376 7.322 -7.175 510 3HG2 VAL 60 1HG2 VAL 60 -0.190 6.575 -5.588 511 HA PRO 61 HA PRO 61 0.688 0.222 -6.390 512 1HB PRO 61 2HB PRO 61 -0.555 -0.228 -3.986 513 2HB PRO 61 1HB PRO 61 1.198 -0.050 -4.155 514 1HG PRO 61 2HG PRO 61 -0.782 1.860 -3.026 515 2HG PRO 61 1HG PRO 61 0.956 1.732 -2.711 516 1HD PRO 61 2HD PRO 61 -0.322 3.630 -4.403 517 2HD PRO 61 1HD PRO 61 1.425 3.343 -4.265 518 H ARG 62 H ARG 62 -1.250 -1.277 -6.381 519 HA ARG 62 HA ARG 62 -3.878 0.105 -6.436 520 1HB ARG 62 2HB ARG 62 -2.414 -0.783 -8.771 521 2HB ARG 62 1HB ARG 62 -3.933 -1.665 -8.622 522 1HG ARG 62 2HG ARG 62 -4.482 0.292 -9.856 523 2HG ARG 62 1HG ARG 62 -5.030 0.622 -8.212 524 1HD ARG 62 2HD ARG 62 -3.489 2.263 -7.895 525 2HD ARG 62 1HD ARG 62 -2.224 1.367 -8.735 526 HE ARG 62 HE ARG 62 -4.346 2.533 -10.428 527 1HH1 ARG 62 1HH1 ARG 62 -0.994 3.302 -11.800 528 2HH1 ARG 62 2HH1 ARG 62 -1.931 1.846 -11.803 529 1HH2 ARG 62 1HH2 ARG 62 -2.817 4.785 -9.249 530 2HH2 ARG 62 2HH2 ARG 62 -1.497 4.969 -10.356 531 H VAL 63 H VAL 63 -5.664 -1.385 -6.153 532 HA VAL 63 HA VAL 63 -4.794 -4.075 -5.179 533 HB VAL 63 HB VAL 63 -6.300 -1.978 -3.892 534 1HG1 VAL 63 1HG1 VAL 63 -7.761 -4.608 -4.244 535 2HG1 VAL 63 3HG1 VAL 63 -8.124 -3.455 -2.957 536 3HG1 VAL 63 2HG1 VAL 63 -8.352 -2.995 -4.647 537 1HG2 VAL 63 1HG2 VAL 63 -4.815 -4.419 -3.285 538 2HG2 VAL 63 3HG2 VAL 63 -4.938 -2.923 -2.360 539 3HG2 VAL 63 2HG2 VAL 63 -6.175 -4.169 -2.194 540 H GLY 64 H GLY 64 -5.597 -5.754 -6.322 541 1HA GLY 64 2HA GLY 64 -7.337 -7.017 -7.390 542 2HA GLY 64 1HA GLY 64 -8.278 -5.534 -7.557 No H/Q in entry = 542 Start of MODEL 20 Raw file had 552 H/Q atoms Start of MODEL 20 1 1H MET 1 1H MET 1 -13.551 4.430 -2.871 2 2H MET 1 3H MET 1 -15.094 4.083 -3.485 3 3H MET 1 2H MET 1 -14.181 2.857 -2.742 4 HA MET 1 HA MET 1 -13.656 2.302 -4.839 5 1HB MET 1 2HB MET 1 -15.254 4.346 -5.476 6 2HB MET 1 1HB MET 1 -13.715 5.088 -5.916 7 1HG MET 1 2HG MET 1 -13.767 2.376 -6.876 8 2HG MET 1 1HG MET 1 -15.218 3.216 -7.423 9 1HE MET 1 3HE MET 1 -15.372 5.299 -8.348 10 2HE MET 1 2HE MET 1 -14.103 6.405 -7.826 11 3HE MET 1 1HE MET 1 -14.263 6.002 -9.533 12 H LYS 2 H LYS 2 -11.889 3.308 -2.703 13 HA LYS 2 HA LYS 2 -9.720 4.684 -4.159 14 1HB LYS 2 2HB LYS 2 -10.430 4.208 -1.359 15 2HB LYS 2 1HB LYS 2 -8.718 3.930 -1.678 16 1HG LYS 2 2HG LYS 2 -10.240 6.425 -2.489 17 2HG LYS 2 1HG LYS 2 -9.194 6.301 -1.075 18 1HD LYS 2 2HD LYS 2 -7.310 5.652 -2.601 19 2HD LYS 2 1HD LYS 2 -8.371 5.976 -3.972 20 1HE LYS 2 2HE LYS 2 -6.836 7.896 -3.290 21 2HE LYS 2 1HE LYS 2 -8.550 8.292 -3.411 22 1HZ LYS 2 2HZ LYS 2 -7.618 7.338 -0.825 23 2HZ LYS 2 1HZ LYS 2 -7.081 8.880 -1.294 24 3HZ LYS 2 3HZ LYS 2 -8.742 8.557 -1.197 25 H THR 3 H THR 3 -9.778 2.623 -5.622 26 HA THR 3 HA THR 3 -8.131 0.441 -4.421 27 HB THR 3 HB THR 3 -9.285 -0.987 -5.744 28 HG1 THR 3 HG1 THR 3 -8.101 -0.689 -7.520 29 1HG2 THR 3 3HG2 THR 3 -11.001 1.035 -5.311 30 2HG2 THR 3 2HG2 THR 3 -10.919 1.122 -7.068 31 3HG2 THR 3 1HG2 THR 3 -11.433 -0.369 -6.284 32 H GLU 4 H GLU 4 -7.820 3.249 -6.259 33 HA GLU 4 HA GLU 4 -5.528 2.174 -7.801 34 1HB GLU 4 2HB GLU 4 -7.132 4.723 -7.939 35 2HB GLU 4 1HB GLU 4 -5.559 4.607 -8.725 36 1HG GLU 4 2HG GLU 4 -6.734 2.273 -9.554 37 2HG GLU 4 1HG GLU 4 -8.130 3.347 -9.466 38 H TRP 5 H TRP 5 -6.260 4.867 -5.587 39 HA TRP 5 HA TRP 5 -4.799 6.054 -4.173 40 1HB TRP 5 2HB TRP 5 -3.006 3.653 -4.658 41 2HB TRP 5 1HB TRP 5 -2.747 4.890 -3.431 42 HD1 TRP 5 HD1 TRP 5 -4.827 5.101 -1.563 43 HE1 TRP 5 HE1 TRP 5 -6.119 3.167 -0.450 44 HE3 TRP 5 HE3 TRP 5 -3.921 1.385 -4.946 45 HZ2 TRP 5 HZ2 TRP 5 -6.673 0.399 -0.925 46 HZ3 TRP 5 HZ3 TRP 5 -4.829 -0.892 -4.580 47 HH2 TRP 5 HH2 TRP 5 -6.201 -1.384 -2.576 48 HA PRO 6 HA PRO 6 -2.218 6.801 -8.068 49 1HB PRO 6 2HB PRO 6 -3.709 8.811 -9.219 50 2HB PRO 6 1HB PRO 6 -3.888 7.102 -9.654 51 1HG PRO 6 2HG PRO 6 -5.660 8.806 -7.949 52 2HG PRO 6 1HG PRO 6 -6.081 7.417 -8.968 53 1HD PRO 6 2HD PRO 6 -5.809 7.328 -6.177 54 2HD PRO 6 1HD PRO 6 -5.751 5.924 -7.257 55 H GLU 7 H GLU 7 -4.112 8.721 -5.940 56 HA GLU 7 HA GLU 7 -2.456 11.097 -5.943 57 1HB GLU 7 2HB GLU 7 -4.860 10.268 -4.698 58 2HB GLU 7 1HB GLU 7 -3.731 10.647 -3.394 59 1HG GLU 7 2HG GLU 7 -3.251 12.834 -4.477 60 2HG GLU 7 1HG GLU 7 -4.446 12.460 -5.720 61 H LEU 8 H LEU 8 -2.016 7.929 -4.729 62 HA LEU 8 HA LEU 8 -0.421 8.609 -2.411 63 1HB LEU 8 2HB LEU 8 -1.243 6.194 -3.788 64 2HB LEU 8 1HB LEU 8 0.469 6.117 -3.398 65 HG LEU 8 HG LEU 8 -0.666 5.212 -1.513 66 1HD1 LEU 8 2HD1 LEU 8 0.978 7.342 -1.261 67 2HD1 LEU 8 1HD1 LEU 8 -0.455 7.972 -0.449 68 3HD1 LEU 8 3HD1 LEU 8 0.298 6.482 0.121 69 1HD2 LEU 8 2HD2 LEU 8 -2.545 7.513 -1.974 70 2HD2 LEU 8 1HD2 LEU 8 -2.912 5.796 -1.797 71 3HD2 LEU 8 3HD2 LEU 8 -2.453 6.752 -0.386 72 H VAL 9 H VAL 9 0.120 8.874 -5.754 73 HA VAL 9 HA VAL 9 2.851 8.198 -5.996 74 HB VAL 9 HB VAL 9 1.201 10.348 -7.339 75 1HG1 VAL 9 2HG1 VAL 9 3.662 11.018 -7.165 76 2HG1 VAL 9 1HG1 VAL 9 4.034 9.566 -8.097 77 3HG1 VAL 9 3HG1 VAL 9 3.049 10.840 -8.813 78 1HG2 VAL 9 3HG2 VAL 9 2.276 7.626 -8.076 79 2HG2 VAL 9 2HG2 VAL 9 0.608 8.197 -8.117 80 3HG2 VAL 9 1HG2 VAL 9 1.767 8.774 -9.313 81 H GLY 10 H GLY 10 4.756 9.316 -5.619 82 1HA GLY 10 2HA GLY 10 6.169 10.828 -4.531 83 2HA GLY 10 1HA GLY 10 4.939 12.036 -4.898 84 H LYS 11 H LYS 11 3.730 9.421 -3.068 85 HA LYS 11 HA LYS 11 3.601 11.183 -0.682 86 1HB LYS 11 2HB LYS 11 1.670 9.678 -1.853 87 2HB LYS 11 1HB LYS 11 2.273 8.529 -0.658 88 1HG LYS 11 2HG LYS 11 0.544 9.747 0.445 89 2HG LYS 11 1HG LYS 11 2.058 10.418 1.055 90 1HD LYS 11 2HD LYS 11 1.877 12.354 -0.297 91 2HD LYS 11 1HD LYS 11 0.655 11.617 -1.332 92 1HE LYS 11 2HE LYS 11 -0.790 12.814 -0.031 93 2HE LYS 11 1HE LYS 11 -0.593 11.455 1.076 94 1HZ LYS 11 2HZ LYS 11 1.431 13.530 1.239 95 2HZ LYS 11 1HZ LYS 11 -0.123 13.982 1.753 96 3HZ LYS 11 3HZ LYS 11 0.658 12.664 2.479 97 H SER 12 H SER 12 3.185 8.736 1.028 98 HA SER 12 HA SER 12 5.906 7.552 1.016 99 1HB SER 12 2HB SER 12 5.108 9.639 2.790 100 2HB SER 12 1HB SER 12 5.231 8.155 3.733 101 HG SER 12 HG SER 12 7.179 9.525 2.244 102 H VAL 13 H VAL 13 6.015 5.585 2.312 103 HA VAL 13 HA VAL 13 3.890 3.820 2.025 104 HB VAL 13 HB VAL 13 5.985 3.870 4.213 105 1HG1 VAL 13 1HG1 VAL 13 3.637 2.288 3.978 106 2HG1 VAL 13 3HG1 VAL 13 5.000 1.252 3.548 107 3HG1 VAL 13 2HG1 VAL 13 4.974 2.071 5.110 108 1HG2 VAL 13 3HG2 VAL 13 6.676 3.730 1.751 109 2HG2 VAL 13 2HG2 VAL 13 7.226 2.407 2.781 110 3HG2 VAL 13 1HG2 VAL 13 5.844 2.176 1.708 111 H GLU 14 H GLU 14 4.482 6.054 4.712 112 HA GLU 14 HA GLU 14 2.673 5.191 6.622 113 1HB GLU 14 2HB GLU 14 3.537 7.895 5.691 114 2HB GLU 14 1HB GLU 14 2.149 7.811 6.776 115 1HG GLU 14 2HG GLU 14 3.466 7.366 8.546 116 2HG GLU 14 1HG GLU 14 4.280 6.061 7.682 117 H GLU 15 H GLU 15 1.655 7.797 4.444 118 HA GLU 15 HA GLU 15 -1.115 7.363 4.719 119 1HB GLU 15 2HB GLU 15 0.636 8.727 2.731 120 2HB GLU 15 1HB GLU 15 -1.027 8.397 2.240 121 1HG GLU 15 2HG GLU 15 -1.473 10.354 3.312 122 2HG GLU 15 1HG GLU 15 -1.424 9.348 4.759 123 H ALA 16 H ALA 16 1.189 5.880 2.483 124 HA ALA 16 HA ALA 16 -0.734 4.623 0.784 125 1HB ALA 16 1HB ALA 16 2.118 4.599 1.119 126 2HB ALA 16 3HB ALA 16 1.545 2.938 0.981 127 3HB ALA 16 2HB ALA 16 1.175 4.105 -0.287 128 H LYS 17 H LYS 17 1.358 2.604 2.812 129 HA LYS 17 HA LYS 17 -0.371 0.448 3.014 130 1HB LYS 17 2HB LYS 17 1.869 1.480 4.610 131 2HB LYS 17 1HB LYS 17 0.730 0.525 5.558 132 1HG LYS 17 2HG LYS 17 1.339 -0.656 2.944 133 2HG LYS 17 1HG LYS 17 2.748 -0.508 3.991 134 1HD LYS 17 2HD LYS 17 0.910 -1.434 5.771 135 2HD LYS 17 1HD LYS 17 0.356 -2.222 4.292 136 1HE LYS 17 2HE LYS 17 1.996 -3.742 4.559 137 2HE LYS 17 1HE LYS 17 3.167 -2.456 4.276 138 1HZ LYS 17 2HZ LYS 17 2.219 -2.225 6.898 139 2HZ LYS 17 1HZ LYS 17 2.664 -3.845 6.650 140 3HZ LYS 17 3HZ LYS 17 3.792 -2.607 6.378 141 H LYS 18 H LYS 18 -0.542 3.519 4.635 142 HA LYS 18 HA LYS 18 -2.369 2.819 6.726 143 1HB LYS 18 2HB LYS 18 -1.071 4.876 6.801 144 2HB LYS 18 1HB LYS 18 -1.868 5.464 5.336 145 1HG LYS 18 2HG LYS 18 -3.906 4.689 7.177 146 2HG LYS 18 1HG LYS 18 -2.750 5.683 8.063 147 1HD LYS 18 2HD LYS 18 -2.986 7.062 5.696 148 2HD LYS 18 1HD LYS 18 -4.621 6.441 5.925 149 1HE LYS 18 2HE LYS 18 -4.999 8.026 7.472 150 2HE LYS 18 1HE LYS 18 -3.701 7.355 8.458 151 1HZ LYS 18 3HZ LYS 18 -2.839 8.955 6.204 152 2HZ LYS 18 2HZ LYS 18 -3.666 9.812 7.415 153 3HZ LYS 18 1HZ LYS 18 -2.266 8.928 7.799 154 H VAL 19 H VAL 19 -3.375 5.190 4.309 155 HA VAL 19 HA VAL 19 -6.098 4.659 4.439 156 HB VAL 19 HB VAL 19 -4.754 5.281 1.802 157 1HG1 VAL 19 2HG1 VAL 19 -7.430 5.167 2.717 158 2HG1 VAL 19 1HG1 VAL 19 -7.042 6.878 2.536 159 3HG1 VAL 19 3HG1 VAL 19 -6.856 5.783 1.167 160 1HG2 VAL 19 1HG2 VAL 19 -5.117 7.029 4.245 161 2HG2 VAL 19 3HG2 VAL 19 -3.640 6.749 3.324 162 3HG2 VAL 19 2HG2 VAL 19 -4.948 7.706 2.628 163 H ILE 20 H ILE 20 -3.716 3.031 2.359 164 HA ILE 20 HA ILE 20 -5.515 1.393 0.922 165 HB ILE 20 HB ILE 20 -2.697 0.809 1.873 166 1HG1 ILE 20 2HG1 ILE 20 -3.545 1.471 -0.932 167 2HG1 ILE 20 1HG1 ILE 20 -3.330 2.773 0.236 168 1HG2 ILE 20 2HG2 ILE 20 -4.679 -0.856 0.539 169 2HG2 ILE 20 1HG2 ILE 20 -3.242 -0.637 -0.458 170 3HG2 ILE 20 3HG2 ILE 20 -3.091 -1.299 1.170 171 1HD1 ILE 20 2HD1 ILE 20 -1.124 0.904 0.387 172 2HD1 ILE 20 1HD1 ILE 20 -1.318 1.495 -1.263 173 3HD1 ILE 20 3HD1 ILE 20 -1.089 2.636 0.063 174 H LEU 21 H LEU 21 -3.954 0.825 4.083 175 HA LEU 21 HA LEU 21 -4.681 -1.747 4.698 176 1HB LEU 21 2HB LEU 21 -3.578 -0.299 6.326 177 2HB LEU 21 1HB LEU 21 -5.040 0.680 6.480 178 HG LEU 21 HG LEU 21 -5.508 -2.189 6.903 179 1HD1 LEU 21 3HD1 LEU 21 -3.335 -0.780 8.338 180 2HD1 LEU 21 2HD1 LEU 21 -4.495 -1.616 9.370 181 3HD1 LEU 21 1HD1 LEU 21 -3.611 -2.510 8.132 182 1HD2 LEU 21 3HD2 LEU 21 -6.485 0.401 7.741 183 2HD2 LEU 21 2HD2 LEU 21 -7.270 -1.173 7.877 184 3HD2 LEU 21 1HD2 LEU 21 -6.187 -0.615 9.151 185 H GLN 22 H GLN 22 -6.953 0.889 4.170 186 HA GLN 22 HA GLN 22 -9.089 -1.141 4.422 187 1HB GLN 22 2HB GLN 22 -8.637 1.006 6.301 188 2HB GLN 22 1HB GLN 22 -10.218 1.171 5.533 189 1HG GLN 22 2HG GLN 22 -10.718 -1.205 6.068 190 2HG GLN 22 1HG GLN 22 -9.160 -1.337 6.885 191 1HE2 GLN 22 2HE2 GLN 22 -10.634 1.476 9.121 192 2HE2 GLN 22 1HE2 GLN 22 -9.592 1.625 7.790 193 H ASP 23 H ASP 23 -9.011 2.426 3.939 194 HA ASP 23 HA ASP 23 -10.283 3.673 2.400 195 1HB ASP 23 2HB ASP 23 -9.701 2.863 -0.018 196 2HB ASP 23 1HB ASP 23 -8.421 3.489 1.018 197 H LYS 24 H LYS 24 -10.561 0.869 0.306 198 HA LYS 24 HA LYS 24 -13.417 1.092 0.230 199 1HB LYS 24 2HB LYS 24 -11.628 -1.184 -0.674 200 2HB LYS 24 1HB LYS 24 -13.283 -0.887 -1.208 201 1HG LYS 24 2HG LYS 24 -12.576 1.277 -2.145 202 2HG LYS 24 1HG LYS 24 -10.921 0.958 -1.618 203 1HD LYS 24 2HD LYS 24 -10.736 0.106 -3.741 204 2HD LYS 24 1HD LYS 24 -11.394 -1.330 -2.958 205 1HE LYS 24 2HE LYS 24 -13.705 -0.064 -3.504 206 2HE LYS 24 1HE LYS 24 -12.723 0.578 -4.819 207 1HZ LYS 24 2HZ LYS 24 -12.042 -1.928 -5.032 208 2HZ LYS 24 1HZ LYS 24 -13.549 -2.179 -4.287 209 3HZ LYS 24 3HZ LYS 24 -13.462 -1.342 -5.759 210 HA PRO 25 HA PRO 25 -14.277 -2.114 3.349 211 1HB PRO 25 2HB PRO 25 -13.615 -4.745 2.925 212 2HB PRO 25 1HB PRO 25 -15.027 -3.967 2.186 213 1HG PRO 25 2HG PRO 25 -12.446 -4.748 0.931 214 2HG PRO 25 1HG PRO 25 -14.037 -4.528 0.183 215 1HD PRO 25 2HD PRO 25 -11.870 -2.701 0.106 216 2HD PRO 25 1HD PRO 25 -13.542 -2.391 -0.410 217 H GLU 26 H GLU 26 -11.473 -4.089 2.423 218 HA GLU 26 HA GLU 26 -9.714 -2.863 4.417 219 1HB GLU 26 2HB GLU 26 -10.139 -5.787 4.854 220 2HB GLU 26 1HB GLU 26 -9.636 -4.537 5.993 221 1HG GLU 26 2HG GLU 26 -11.897 -3.677 6.140 222 2HG GLU 26 1HG GLU 26 -12.437 -4.754 4.852 223 H ALA 27 H ALA 27 -9.096 -2.821 1.903 224 HA ALA 27 HA ALA 27 -7.738 -5.301 1.128 225 1HB ALA 27 2HB ALA 27 -8.590 -2.834 -0.217 226 2HB ALA 27 1HB ALA 27 -6.985 -3.371 -0.714 227 3HB ALA 27 3HB ALA 27 -8.371 -4.453 -0.886 228 H GLN 28 H GLN 28 -5.778 -5.675 2.037 229 HA GLN 28 HA GLN 28 -4.222 -3.452 3.160 230 1HB GLN 28 2HB GLN 28 -4.488 -6.238 3.648 231 2HB GLN 28 1HB GLN 28 -2.807 -5.946 3.202 232 1HG GLN 28 2HG GLN 28 -2.656 -5.447 5.448 233 2HG GLN 28 1HG GLN 28 -3.160 -3.861 4.862 234 1HE2 GLN 28 2HE2 GLN 28 -5.447 -5.026 7.656 235 2HE2 GLN 28 1HE2 GLN 28 -3.758 -4.903 7.540 236 H ILE 29 H ILE 29 -1.769 -3.507 2.752 237 HA ILE 29 HA ILE 29 -1.157 -4.296 -0.032 238 HB ILE 29 HB ILE 29 -1.855 -1.930 -0.098 239 1HG1 ILE 29 2HG1 ILE 29 1.129 -2.232 -0.470 240 2HG1 ILE 29 1HG1 ILE 29 -0.060 -2.914 -1.574 241 1HG2 ILE 29 3HG2 ILE 29 0.129 -1.778 2.117 242 2HG2 ILE 29 2HG2 ILE 29 0.100 -0.428 0.981 243 3HG2 ILE 29 1HG2 ILE 29 -1.356 -0.861 1.876 244 1HD1 ILE 29 3HD1 ILE 29 0.018 0.022 -0.836 245 2HD1 ILE 29 2HD1 ILE 29 0.823 -0.640 -2.260 246 3HD1 ILE 29 1HD1 ILE 29 -0.932 -0.735 -2.115 247 H ILE 30 H ILE 30 0.965 -4.894 -0.377 248 HA ILE 30 HA ILE 30 2.648 -5.210 2.045 249 HB ILE 30 HB ILE 30 2.447 -6.461 -0.654 250 1HG1 ILE 30 2HG1 ILE 30 1.582 -7.561 1.361 251 2HG1 ILE 30 1HG1 ILE 30 2.920 -8.491 0.684 252 1HG2 ILE 30 3HG2 ILE 30 5.075 -6.079 0.778 253 2HG2 ILE 30 2HG2 ILE 30 4.791 -7.458 -0.280 254 3HG2 ILE 30 1HG2 ILE 30 4.706 -5.820 -0.929 255 1HD1 ILE 30 1HD1 ILE 30 4.136 -6.659 2.422 256 2HD1 ILE 30 3HD1 ILE 30 2.703 -7.214 3.288 257 3HD1 ILE 30 2HD1 ILE 30 3.895 -8.382 2.715 258 H VAL 31 H VAL 31 5.055 -4.559 1.779 259 HA VAL 31 HA VAL 31 5.317 -2.336 -0.184 260 HB VAL 31 HB VAL 31 6.131 -2.165 2.722 261 1HG1 VAL 31 1HG1 VAL 31 6.876 -0.661 0.319 262 2HG1 VAL 31 3HG1 VAL 31 6.273 0.355 1.629 263 3HG1 VAL 31 2HG1 VAL 31 7.651 -0.711 1.903 264 1HG2 VAL 31 2HG2 VAL 31 3.623 -1.902 1.888 265 2HG2 VAL 31 1HG2 VAL 31 4.302 -0.803 3.088 266 3HG2 VAL 31 3HG2 VAL 31 4.200 -0.309 1.399 267 H LEU 32 H LEU 32 7.238 -2.309 -1.236 268 HA LEU 32 HA LEU 32 9.501 -3.861 -0.050 269 1HB LEU 32 2HB LEU 32 10.017 -4.867 -2.168 270 2HB LEU 32 1HB LEU 32 8.312 -5.173 -1.882 271 HG LEU 32 HG LEU 32 8.754 -2.655 -3.264 272 1HD1 LEU 32 3HD1 LEU 32 10.698 -4.342 -3.942 273 2HD1 LEU 32 2HD1 LEU 32 9.418 -5.083 -4.901 274 3HD1 LEU 32 1HD1 LEU 32 9.865 -3.401 -5.174 275 1HD2 LEU 32 2HD2 LEU 32 6.784 -4.565 -2.971 276 2HD2 LEU 32 1HD2 LEU 32 6.776 -3.303 -4.202 277 3HD2 LEU 32 3HD2 LEU 32 7.390 -4.909 -4.591 278 HA PRO 33 HA PRO 33 11.865 -0.359 -1.176 279 1HB PRO 33 2HB PRO 33 14.329 -1.535 -1.442 280 2HB PRO 33 1HB PRO 33 13.535 -1.272 0.121 281 1HG PRO 33 2HG PRO 33 13.893 -3.811 -1.396 282 2HG PRO 33 1HG PRO 33 13.701 -3.564 0.347 283 1HD PRO 33 2HD PRO 33 11.683 -4.422 -1.455 284 2HD PRO 33 1HD PRO 33 11.437 -3.894 0.223 285 H VAL 34 H VAL 34 10.495 -1.563 -3.473 286 HA VAL 34 HA VAL 34 10.645 -1.696 -5.815 287 HB VAL 34 HB VAL 34 12.579 0.500 -5.075 288 1HG1 VAL 34 2HG1 VAL 34 12.324 -0.914 -7.640 289 2HG1 VAL 34 1HG1 VAL 34 12.068 0.826 -7.771 290 3HG1 VAL 34 3HG1 VAL 34 13.573 0.204 -7.096 291 1HG2 VAL 34 3HG2 VAL 34 10.072 0.751 -4.868 292 2HG2 VAL 34 2HG2 VAL 34 10.828 1.911 -5.962 293 3HG2 VAL 34 1HG2 VAL 34 9.967 0.514 -6.612 294 H GLY 35 H GLY 35 14.042 -0.856 -5.613 295 1HA GLY 35 2HA GLY 35 15.937 -2.067 -6.293 296 2HA GLY 35 1HA GLY 35 15.236 -3.378 -5.344 297 H THR 36 H THR 36 14.841 -5.195 -6.481 298 HA THR 36 HA THR 36 14.779 -5.054 -9.428 299 HB THR 36 HB THR 36 14.868 -7.400 -7.519 300 HG1 THR 36 HG1 THR 36 16.752 -6.049 -7.758 301 1HG2 THR 36 1HG2 THR 36 13.906 -7.413 -10.115 302 2HG2 THR 36 3HG2 THR 36 15.600 -7.858 -10.315 303 3HG2 THR 36 2HG2 THR 36 14.558 -8.809 -9.256 304 H ILE 37 H ILE 37 13.043 -7.638 -7.973 305 HA ILE 37 HA ILE 37 10.781 -8.211 -8.003 306 HB ILE 37 HB ILE 37 10.808 -5.603 -7.100 307 1HG1 ILE 37 2HG1 ILE 37 8.480 -6.078 -6.423 308 2HG1 ILE 37 1HG1 ILE 37 8.422 -7.410 -7.577 309 1HG2 ILE 37 2HG2 ILE 37 10.147 -5.108 -9.626 310 2HG2 ILE 37 1HG2 ILE 37 8.549 -5.593 -9.064 311 3HG2 ILE 37 3HG2 ILE 37 9.382 -4.235 -8.304 312 1HD1 ILE 37 3HD1 ILE 37 10.637 -7.341 -5.556 313 2HD1 ILE 37 2HD1 ILE 37 9.035 -7.880 -5.051 314 3HD1 ILE 37 1HD1 ILE 37 9.884 -8.730 -6.341 315 H VAL 38 H VAL 38 8.788 -7.960 -9.580 316 HA VAL 38 HA VAL 38 7.953 -7.866 -11.790 317 HB VAL 38 HB VAL 38 10.643 -6.804 -12.676 318 1HG1 VAL 38 2HG1 VAL 38 9.012 -7.575 -14.392 319 2HG1 VAL 38 1HG1 VAL 38 7.839 -6.423 -13.755 320 3HG1 VAL 38 3HG1 VAL 38 9.334 -5.844 -14.491 321 1HG2 VAL 38 2HG2 VAL 38 8.682 -5.560 -10.932 322 2HG2 VAL 38 1HG2 VAL 38 10.258 -4.957 -11.443 323 3HG2 VAL 38 3HG2 VAL 38 8.837 -4.665 -12.443 324 H THR 39 H THR 39 10.633 -9.548 -10.665 325 HA THR 39 HA THR 39 10.239 -11.630 -12.704 326 HB THR 39 HB THR 39 12.757 -11.764 -13.083 327 HG1 THR 39 HG1 THR 39 12.560 -9.181 -11.934 328 1HG2 THR 39 1HG2 THR 39 10.872 -10.540 -14.523 329 2HG2 THR 39 3HG2 THR 39 11.826 -9.118 -14.102 330 3HG2 THR 39 2HG2 THR 39 12.576 -10.457 -14.972 331 1H GLU 41 3H GLU 41 -10.006 -11.666 -7.497 332 2H GLU 41 2H GLU 41 -10.612 -13.197 -7.083 333 3H GLU 41 1H GLU 41 -9.867 -12.954 -8.590 334 HA GLU 41 HA GLU 41 -11.632 -11.625 -9.376 335 1HB GLU 41 2HB GLU 41 -12.040 -14.290 -8.373 336 2HB GLU 41 1HB GLU 41 -13.541 -13.377 -8.218 337 1HG GLU 41 2HG GLU 41 -13.293 -12.670 -10.610 338 2HG GLU 41 1HG GLU 41 -11.894 -13.737 -10.738 339 H TYR 42 H TYR 42 -11.226 -11.565 -6.046 340 HA TYR 42 HA TYR 42 -13.655 -9.846 -5.728 341 1HB TYR 42 2HB TYR 42 -13.723 -10.512 -3.378 342 2HB TYR 42 1HB TYR 42 -13.735 -11.956 -4.389 343 HD1 TYR 42 HD1 TYR 42 -11.731 -13.363 -4.612 344 HD2 TYR 42 HD2 TYR 42 -11.777 -9.953 -1.989 345 HE1 TYR 42 HE1 TYR 42 -9.688 -14.193 -3.493 346 HE2 TYR 42 HE2 TYR 42 -9.737 -10.790 -0.874 347 HH TYR 42 HH TYR 42 -8.450 -12.700 -0.579 348 H ARG 43 H ARG 43 -12.802 -8.931 -3.128 349 HA ARG 43 HA ARG 43 -10.842 -6.915 -3.995 350 1HB ARG 43 2HB ARG 43 -12.807 -6.156 -2.741 351 2HB ARG 43 1HB ARG 43 -12.410 -7.249 -1.417 352 1HG ARG 43 2HG ARG 43 -11.599 -5.092 -0.782 353 2HG ARG 43 1HG ARG 43 -10.184 -6.043 -1.239 354 1HD ARG 43 2HD ARG 43 -10.128 -3.777 -2.253 355 2HD ARG 43 1HD ARG 43 -10.217 -5.043 -3.481 356 HE ARG 43 HE ARG 43 -12.423 -3.198 -2.743 357 1HH1 ARG 43 1HH2 ARG 43 -10.798 -4.616 -5.264 358 2HH1 ARG 43 2HH2 ARG 43 -12.204 -5.104 -6.152 359 1HH2 ARG 43 2HH1 ARG 43 -14.411 -4.361 -3.587 360 2HH2 ARG 43 1HH1 ARG 43 -14.246 -4.959 -5.204 361 H ILE 44 H ILE 44 -9.080 -8.669 -4.081 362 HA ILE 44 HA ILE 44 -8.210 -10.077 -1.795 363 HB ILE 44 HB ILE 44 -7.114 -10.445 -3.948 364 1HG1 ILE 44 2HG1 ILE 44 -4.691 -9.505 -2.850 365 2HG1 ILE 44 1HG1 ILE 44 -5.739 -9.842 -1.466 366 1HG2 ILE 44 3HG2 ILE 44 -7.047 -7.593 -3.981 367 2HG2 ILE 44 2HG2 ILE 44 -5.379 -8.162 -4.051 368 3HG2 ILE 44 1HG2 ILE 44 -6.546 -8.700 -5.258 369 1HD1 ILE 44 1HD1 ILE 44 -5.695 -11.862 -3.665 370 2HD1 ILE 44 3HD1 ILE 44 -4.267 -11.762 -2.635 371 3HD1 ILE 44 2HD1 ILE 44 -5.845 -12.097 -1.923 372 H ASP 45 H ASP 45 -6.957 -9.436 0.011 373 HA ASP 45 HA ASP 45 -6.908 -6.513 0.376 374 1HB ASP 45 2HB ASP 45 -7.028 -6.884 2.677 375 2HB ASP 45 1HB ASP 45 -7.923 -8.255 2.023 376 H ARG 46 H ARG 46 -5.018 -7.184 -1.377 377 HA ARG 46 HA ARG 46 -2.561 -6.526 0.111 378 1HB ARG 46 2HB ARG 46 -2.788 -9.106 -0.219 379 2HB ARG 46 1HB ARG 46 -2.441 -8.764 -1.914 380 1HG ARG 46 2HG ARG 46 -0.381 -7.521 -1.162 381 2HG ARG 46 1HG ARG 46 -0.696 -8.102 0.473 382 1HD ARG 46 2HD ARG 46 -0.701 -10.145 -1.690 383 2HD ARG 46 1HD ARG 46 0.864 -9.453 -1.259 384 HE ARG 46 HE ARG 46 -0.326 -10.119 1.178 385 1HH1 ARG 46 2HH1 ARG 46 2.156 -11.362 -0.228 386 2HH1 ARG 46 1HH1 ARG 46 1.735 -13.040 -0.156 387 1HH2 ARG 46 1HH2 ARG 46 -1.594 -12.443 0.618 388 2HH2 ARG 46 2HH2 ARG 46 -0.390 -13.651 0.323 389 H VAL 47 H VAL 47 -1.019 -5.479 -1.260 390 HA VAL 47 HA VAL 47 -1.634 -5.141 -4.112 391 HB VAL 47 HB VAL 47 -1.227 -2.500 -2.906 392 1HG1 VAL 47 3HG1 VAL 47 -2.063 -3.369 -5.263 393 2HG1 VAL 47 2HG1 VAL 47 -3.636 -3.315 -4.469 394 3HG1 VAL 47 1HG1 VAL 47 -2.661 -1.852 -4.591 395 1HG2 VAL 47 3HG2 VAL 47 -3.691 -4.098 -2.161 396 2HG2 VAL 47 2HG2 VAL 47 -2.542 -3.349 -1.058 397 3HG2 VAL 47 1HG2 VAL 47 -3.591 -2.342 -2.054 398 H ARG 48 H ARG 48 0.161 -3.368 -4.937 399 HA ARG 48 HA ARG 48 2.690 -4.343 -3.696 400 1HB ARG 48 2HB ARG 48 1.847 -3.838 -6.461 401 2HB ARG 48 1HB ARG 48 3.462 -3.246 -6.062 402 1HG ARG 48 2HG ARG 48 2.448 -6.061 -5.535 403 2HG ARG 48 1HG ARG 48 3.527 -5.601 -6.853 404 1HD ARG 48 2HD ARG 48 5.117 -4.698 -5.070 405 2HD ARG 48 1HD ARG 48 4.100 -5.506 -3.875 406 HE ARG 48 HE ARG 48 6.072 -6.810 -5.435 407 1HH1 ARG 48 1HH2 ARG 48 3.436 -7.626 -6.789 408 2HH1 ARG 48 2HH2 ARG 48 3.095 -9.109 -5.959 409 1HH2 ARG 48 2HH1 ARG 48 5.342 -8.494 -3.391 410 2HH2 ARG 48 1HH1 ARG 48 4.174 -9.598 -4.034 411 H LEU 49 H LEU 49 2.717 -2.706 -2.068 412 HA LEU 49 HA LEU 49 2.866 0.110 -2.839 413 1HB LEU 49 2HB LEU 49 2.075 -0.706 -0.554 414 2HB LEU 49 1HB LEU 49 3.747 -1.119 -0.211 415 HG LEU 49 HG LEU 49 3.140 1.103 0.692 416 1HD1 LEU 49 3HD1 LEU 49 5.460 0.495 -0.246 417 2HD1 LEU 49 2HD1 LEU 49 5.031 1.518 -1.627 418 3HD1 LEU 49 1HD1 LEU 49 5.105 2.207 -0.002 419 1HD2 LEU 49 2HD2 LEU 49 1.455 1.694 -1.009 420 2HD2 LEU 49 1HD2 LEU 49 2.678 2.958 -0.858 421 3HD2 LEU 49 3HD2 LEU 49 2.732 1.840 -2.224 422 H PHE 50 H PHE 50 4.605 0.233 -4.301 423 HA PHE 50 HA PHE 50 7.250 -0.796 -3.456 424 1HB PHE 50 2HB PHE 50 6.157 0.558 -5.918 425 2HB PHE 50 1HB PHE 50 7.900 0.361 -5.678 426 HD1 PHE 50 HD2 PHE 50 8.884 -1.916 -5.516 427 HD2 PHE 50 HD1 PHE 50 4.749 -1.311 -6.504 428 HE1 PHE 50 HE2 PHE 50 8.755 -4.224 -6.433 429 HE2 PHE 50 HE1 PHE 50 4.636 -3.609 -7.428 430 HZ PHE 50 HZ PHE 50 6.637 -5.063 -7.388 431 H VAL 51 H VAL 51 8.774 0.577 -2.514 432 HA VAL 51 HA VAL 51 7.968 3.412 -2.133 433 HB VAL 51 HB VAL 51 9.817 3.396 -0.410 434 1HG1 VAL 51 1HG1 VAL 51 7.249 2.614 -0.169 435 2HG1 VAL 51 3HG1 VAL 51 8.046 1.114 0.305 436 3HG1 VAL 51 2HG1 VAL 51 8.376 2.604 1.188 437 1HG2 VAL 51 3HG2 VAL 51 10.647 1.148 -1.743 438 2HG2 VAL 51 2HG2 VAL 51 11.155 1.582 -0.111 439 3HG2 VAL 51 1HG2 VAL 51 9.826 0.447 -0.349 440 H ASP 52 H ASP 52 10.379 4.638 -1.731 441 HA ASP 52 HA ASP 52 11.862 4.160 -4.279 442 1HB ASP 52 2HB ASP 52 11.885 6.441 -4.810 443 2HB ASP 52 1HB ASP 52 10.266 6.239 -4.147 444 H LYS 53 H LYS 53 13.619 6.446 -3.553 445 HA LYS 53 HA LYS 53 15.520 4.976 -1.928 446 1HB LYS 53 2HB LYS 53 15.616 7.877 -2.761 447 2HB LYS 53 1HB LYS 53 16.982 6.801 -2.448 448 1HG LYS 53 2HG LYS 53 14.960 6.437 -4.691 449 2HG LYS 53 1HG LYS 53 16.570 7.137 -4.891 450 1HD LYS 53 2HD LYS 53 16.768 4.638 -3.458 451 2HD LYS 53 1HD LYS 53 15.880 4.397 -4.963 452 1HE LYS 53 2HE LYS 53 18.575 5.765 -4.719 453 2HE LYS 53 1HE LYS 53 18.313 4.122 -5.304 454 1HZ LYS 53 1HZ LYS 53 16.601 5.855 -6.689 455 2HZ LYS 53 3HZ LYS 53 18.167 6.505 -6.747 456 3HZ LYS 53 2HZ LYS 53 17.883 4.924 -7.303 457 H LEU 54 H LEU 54 13.559 7.921 -1.569 458 HA LEU 54 HA LEU 54 14.205 7.996 1.337 459 1HB LEU 54 2HB LEU 54 13.683 9.977 -0.692 460 2HB LEU 54 1HB LEU 54 12.508 10.141 0.612 461 HG LEU 54 HG LEU 54 15.517 10.012 0.981 462 1HD1 LEU 54 1HD1 LEU 54 14.512 12.119 -0.081 463 2HD1 LEU 54 3HD1 LEU 54 13.686 12.369 1.457 464 3HD1 LEU 54 2HD1 LEU 54 15.448 12.357 1.395 465 1HD2 LEU 54 1HD2 LEU 54 13.507 9.344 2.770 466 2HD2 LEU 54 3HD2 LEU 54 15.137 9.853 3.212 467 3HD2 LEU 54 2HD2 LEU 54 13.830 11.036 3.153 468 H ASP 55 H ASP 55 12.390 5.964 0.219 469 HA ASP 55 HA ASP 55 10.251 5.080 0.592 470 1HB ASP 55 2HB ASP 55 9.364 6.647 2.820 471 2HB ASP 55 1HB ASP 55 9.938 4.979 2.821 472 H ASN 56 H ASN 56 9.870 6.434 -1.418 473 HA ASN 56 HA ASN 56 7.671 8.368 -0.893 474 1HB ASN 56 2HB ASN 56 9.890 9.423 -1.620 475 2HB ASN 56 1HB ASN 56 9.636 8.616 -3.171 476 1HD2 ASN 56 2HD2 ASN 56 8.086 12.066 -3.239 477 2HD2 ASN 56 1HD2 ASN 56 9.647 11.506 -2.875 478 H ILE 57 H ILE 57 6.014 7.027 -1.401 479 HA ILE 57 HA ILE 57 5.794 4.930 -3.142 480 HB ILE 57 HB ILE 57 3.678 7.089 -2.970 481 1HG1 ILE 57 2HG1 ILE 57 4.368 6.537 -0.707 482 2HG1 ILE 57 1HG1 ILE 57 2.836 5.728 -1.031 483 1HG2 ILE 57 3HG2 ILE 57 3.825 4.317 -3.978 484 2HG2 ILE 57 2HG2 ILE 57 2.433 4.659 -2.949 485 3HG2 ILE 57 1HG2 ILE 57 2.709 5.614 -4.405 486 1HD1 ILE 57 2HD1 ILE 57 4.218 3.699 -1.739 487 2HD1 ILE 57 1HD1 ILE 57 5.604 4.518 -1.020 488 3HD1 ILE 57 3HD1 ILE 57 4.223 4.077 -0.016 489 H ALA 58 H ALA 58 7.176 5.238 -4.946 490 HA ALA 58 HA ALA 58 6.486 7.346 -6.902 491 1HB ALA 58 3HB ALA 58 8.725 5.426 -6.504 492 2HB ALA 58 2HB ALA 58 8.340 5.838 -8.176 493 3HB ALA 58 1HB ALA 58 8.770 7.109 -7.030 494 H GLN 59 H GLN 59 5.771 4.061 -6.204 495 HA GLN 59 HA GLN 59 4.524 3.746 -8.908 496 1HB GLN 59 2HB GLN 59 6.316 2.027 -7.481 497 2HB GLN 59 1HB GLN 59 4.747 1.227 -7.579 498 1HG GLN 59 2HG GLN 59 5.794 0.588 -9.587 499 2HG GLN 59 1HG GLN 59 4.787 1.952 -10.077 500 1HE2 GLN 59 2HE2 GLN 59 8.795 2.219 -10.453 501 2HE2 GLN 59 1HE2 GLN 59 8.027 0.783 -9.975 502 H VAL 60 H VAL 60 2.389 4.231 -8.608 503 HA VAL 60 HA VAL 60 1.013 3.983 -6.113 504 HB VAL 60 HB VAL 60 0.080 4.324 -8.962 505 1HG1 VAL 60 1HG1 VAL 60 -1.531 3.982 -6.431 506 2HG1 VAL 60 3HG1 VAL 60 -2.155 4.895 -7.804 507 3HG1 VAL 60 2HG1 VAL 60 -1.756 3.187 -7.988 508 1HG2 VAL 60 3HG2 VAL 60 1.259 6.151 -7.568 509 2HG2 VAL 60 2HG2 VAL 60 -0.277 6.577 -8.322 510 3HG2 VAL 60 1HG2 VAL 60 -0.217 6.187 -6.604 511 HA PRO 61 HA PRO 61 0.108 -0.367 -6.336 512 1HB PRO 61 2HB PRO 61 -1.369 -0.439 -4.025 513 2HB PRO 61 1HB PRO 61 0.400 -0.384 -4.051 514 1HG PRO 61 2HG PRO 61 -1.530 1.763 -3.339 515 2HG PRO 61 1HG PRO 61 0.162 1.572 -2.855 516 1HD PRO 61 2HD PRO 61 -0.836 3.319 -4.867 517 2HD PRO 61 1HD PRO 61 0.869 2.951 -4.533 518 H ARG 62 H ARG 62 -1.928 -1.744 -6.399 519 HA ARG 62 HA ARG 62 -4.461 -0.259 -6.740 520 1HB ARG 62 2HB ARG 62 -2.856 -0.898 -8.972 521 2HB ARG 62 1HB ARG 62 -4.188 -2.056 -8.980 522 1HG ARG 62 2HG ARG 62 -5.221 -0.313 -10.083 523 2HG ARG 62 1HG ARG 62 -5.605 0.142 -8.419 524 1HD ARG 62 2HD ARG 62 -4.701 2.072 -9.668 525 2HD ARG 62 1HD ARG 62 -3.613 1.609 -8.361 526 HE ARG 62 HE ARG 62 -2.702 0.204 -10.605 527 1HH1 ARG 62 1HH2 ARG 62 -3.897 3.043 -11.501 528 2HH1 ARG 62 2HH2 ARG 62 -2.401 3.887 -11.725 529 1HH2 ARG 62 2HH1 ARG 62 -0.491 1.474 -10.127 530 2HH2 ARG 62 1HH1 ARG 62 -0.473 2.998 -10.951 531 H VAL 63 H VAL 63 -6.184 -1.480 -6.107 532 HA VAL 63 HA VAL 63 -5.747 -4.410 -5.692 533 HB VAL 63 HB VAL 63 -6.886 -2.279 -3.967 534 1HG1 VAL 63 3HG1 VAL 63 -8.140 -5.034 -4.109 535 2HG1 VAL 63 2HG1 VAL 63 -8.365 -3.907 -2.770 536 3HG1 VAL 63 1HG1 VAL 63 -8.950 -3.490 -4.382 537 1HG2 VAL 63 1HG2 VAL 63 -4.974 -4.398 -3.831 538 2HG2 VAL 63 3HG2 VAL 63 -5.317 -3.163 -2.620 539 3HG2 VAL 63 2HG2 VAL 63 -6.199 -4.689 -2.598 540 H GLY 64 H GLY 64 -7.497 -5.777 -6.302 541 1HA GLY 64 2HA GLY 64 -10.106 -5.126 -6.963 542 2HA GLY 64 1HA GLY 64 -9.192 -4.716 -8.415 No H/Q in entry = 542 No H/Q in entry = 542
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