NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
17470 | 2cps | 4197 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 21.381 -2.687 29.404 2 2H ALA 1 3H ALA 1 21.005 -2.621 31.057 3 3H ALA 1 2H ALA 1 20.479 -3.936 30.119 4 HA ALA 1 HA ALA 1 18.562 -2.771 30.159 5 1HB ALA 1 3HB ALA 1 19.545 -0.932 31.547 6 2HB ALA 1 2HB ALA 1 20.165 -0.195 30.068 7 3HB ALA 1 1HB ALA 1 18.423 -0.336 30.318 8 H GLU 2 H GLU 2 17.439 -2.802 28.333 9 HA GLU 2 HA GLU 2 18.688 -2.762 25.803 10 1HB GLU 2 2HB GLU 2 16.361 -2.904 24.930 11 2HB GLU 2 1HB GLU 2 16.739 -4.120 26.148 12 1HG GLU 2 2HG GLU 2 15.782 -2.029 27.666 13 2HG GLU 2 1HG GLU 2 14.778 -1.946 26.218 14 H GLY 3 H GLY 3 19.636 -0.502 26.417 15 1HA GLY 3 2HA GLY 3 17.833 1.630 25.533 16 2HA GLY 3 1HA GLY 3 19.294 1.875 26.482 17 H ASP 4 H ASP 4 17.981 2.034 23.418 18 HA ASP 4 HA ASP 4 20.617 1.791 22.109 19 1HB ASP 4 2HB ASP 4 18.415 0.473 21.395 20 2HB ASP 4 1HB ASP 4 18.120 1.969 20.507 21 H ASP 5 H ASP 5 19.256 4.120 23.608 22 HA ASP 5 HA ASP 5 18.983 6.394 23.378 23 1HB ASP 5 2HB ASP 5 21.486 5.834 22.842 24 2HB ASP 5 1HB ASP 5 21.038 6.311 21.204 25 HA PRO 6 HA PRO 6 16.411 6.374 19.619 26 1HB PRO 6 2HB PRO 6 14.170 7.324 20.794 27 2HB PRO 6 1HB PRO 6 14.624 5.613 20.806 28 1HG PRO 6 2HG PRO 6 14.661 7.567 22.992 29 2HG PRO 6 1HG PRO 6 14.634 5.799 23.059 30 1HD PRO 6 2HD PRO 6 16.879 7.535 23.417 31 2HD PRO 6 1HD PRO 6 16.850 5.763 23.458 32 H ALA 7 H ALA 7 18.047 8.662 21.130 33 HA ALA 7 HA ALA 7 16.541 11.006 20.305 34 1HB ALA 7 3HB ALA 7 18.918 10.461 21.963 35 2HB ALA 7 2HB ALA 7 18.961 11.972 21.052 36 3HB ALA 7 1HB ALA 7 17.636 11.656 22.174 37 H LYS 8 H LYS 8 20.020 10.626 19.848 38 HA LYS 8 HA LYS 8 19.815 11.724 17.187 39 1HB LYS 8 2HB LYS 8 22.221 11.789 17.276 40 2HB LYS 8 1HB LYS 8 21.572 12.404 18.785 41 1HG LYS 8 2HG LYS 8 21.871 9.991 19.666 42 2HG LYS 8 1HG LYS 8 22.875 9.746 18.240 43 1HD LYS 8 2HD LYS 8 24.107 10.404 20.371 44 2HD LYS 8 1HD LYS 8 24.480 11.333 18.925 45 1HE LYS 8 2HE LYS 8 24.139 12.642 21.104 46 2HE LYS 8 1HE LYS 8 23.267 13.217 19.684 47 1HZ LYS 8 2HZ LYS 8 21.784 11.265 21.157 48 2HZ LYS 8 1HZ LYS 8 22.188 12.609 22.113 49 3HZ LYS 8 3HZ LYS 8 21.330 12.827 20.668 50 H ALA 9 H ALA 9 20.580 8.633 18.690 51 HA ALA 9 HA ALA 9 21.679 7.236 16.571 52 1HB ALA 9 3HB ALA 9 20.885 6.585 19.090 53 2HB ALA 9 2HB ALA 9 19.683 5.728 18.121 54 3HB ALA 9 1HB ALA 9 21.402 5.412 17.876 55 H ALA 10 H ALA 10 18.226 7.172 17.464 56 HA ALA 10 HA ALA 10 17.196 5.805 15.325 57 1HB ALA 10 3HB ALA 10 16.135 7.924 17.119 58 2HB ALA 10 2HB ALA 10 15.195 7.527 15.678 59 3HB ALA 10 1HB ALA 10 15.570 6.272 16.861 60 H PHE 11 H PHE 11 17.822 9.299 15.483 61 HA PHE 11 HA PHE 11 16.865 9.923 12.902 62 1HB PHE 11 2HB PHE 11 17.421 11.497 14.835 63 2HB PHE 11 1HB PHE 11 19.090 11.379 14.307 64 HD1 PHE 11 HD1 PHE 11 19.682 12.087 11.936 65 HD2 PHE 11 HD2 PHE 11 15.875 12.940 13.713 66 HE1 PHE 11 HE1 PHE 11 19.272 13.828 10.251 67 HE2 PHE 11 HE2 PHE 11 15.485 14.678 12.019 68 HZ PHE 11 HZ PHE 11 17.179 15.124 10.289 69 H ASN 12 H ASN 12 20.041 8.954 14.089 70 HA ASN 12 HA ASN 12 21.372 9.293 11.572 71 1HB ASN 12 2HB ASN 12 22.087 8.406 14.267 72 2HB ASN 12 1HB ASN 12 22.898 7.496 12.999 73 1HD2 ASN 12 2HD2 ASN 12 25.261 10.008 12.675 74 2HD2 ASN 12 1HD2 ASN 12 24.882 8.331 12.839 75 H SER 13 H SER 13 19.537 6.766 13.083 76 HA SER 13 HA SER 13 20.450 4.523 11.668 77 1HB SER 13 2HB SER 13 17.562 4.711 12.254 78 2HB SER 13 1HB SER 13 18.717 3.435 12.642 79 HG SER 13 HG SER 13 18.778 4.274 14.567 80 H LEU 14 H LEU 14 18.556 7.216 10.647 81 HA LEU 14 HA LEU 14 17.364 5.837 8.397 82 1HB LEU 14 2HB LEU 14 17.445 8.806 8.511 83 2HB LEU 14 1HB LEU 14 16.152 7.737 7.988 84 HG LEU 14 HG LEU 14 17.007 8.223 10.852 85 1HD1 LEU 14 3HD1 LEU 14 14.653 9.206 9.245 86 2HD1 LEU 14 2HD1 LEU 14 14.662 9.189 11.008 87 3HD1 LEU 14 1HD1 LEU 14 15.851 10.157 10.130 88 1HD2 LEU 14 1HD2 LEU 14 16.161 5.915 10.409 89 2HD2 LEU 14 3HD2 LEU 14 15.139 6.840 11.513 90 3HD2 LEU 14 2HD2 LEU 14 14.650 6.623 9.832 91 H GLN 15 H GLN 15 19.891 8.225 8.973 92 HA GLN 15 HA GLN 15 20.596 8.617 6.249 93 1HB GLN 15 2HB GLN 15 21.068 10.212 8.065 94 2HB GLN 15 1HB GLN 15 22.216 9.074 8.751 95 1HG GLN 15 2HG GLN 15 23.594 10.485 7.505 96 2HG GLN 15 1HG GLN 15 23.313 9.147 6.390 97 1HE2 GLN 15 2HD2 GLN 15 22.710 12.471 4.730 98 2HE2 GLN 15 1HD2 GLN 15 24.009 11.827 5.669 99 H ALA 16 H ALA 16 21.416 6.250 8.630 100 HA ALA 16 HA ALA 16 23.829 5.317 7.397 101 1HB ALA 16 3HB ALA 16 23.267 4.990 9.803 102 2HB ALA 16 2HB ALA 16 22.021 3.840 9.311 103 3HB ALA 16 1HB ALA 16 23.719 3.500 8.974 104 H SER 17 H SER 17 20.700 5.160 6.313 105 HA SER 17 HA SER 17 20.884 2.462 5.205 106 1HB SER 17 2HB SER 17 18.755 3.633 6.187 107 2HB SER 17 1HB SER 17 18.669 4.381 4.596 108 HG SER 17 HG SER 17 17.527 2.310 4.842 109 H ALA 18 H ALA 18 22.856 4.183 4.302 110 HA ALA 18 HA ALA 18 22.032 5.013 1.611 111 1HB ALA 18 1HB ALA 18 23.609 6.279 3.458 112 2HB ALA 18 3HB ALA 18 24.807 5.496 2.427 113 3HB ALA 18 2HB ALA 18 23.626 6.602 1.723 114 H THR 19 H THR 19 21.830 2.633 1.270 115 HA THR 19 HA THR 19 24.095 0.956 1.160 116 HB THR 19 HB THR 19 21.629 0.305 1.191 117 HG1 THR 19 HG1 THR 19 23.146 -1.097 -0.730 118 1HG2 THR 19 2HG2 THR 19 21.991 0.790 -1.773 119 2HG2 THR 19 1HG2 THR 19 20.743 -0.262 -1.109 120 3HG2 THR 19 3HG2 THR 19 20.745 1.457 -0.714 121 H GLU 20 H GLU 20 23.404 3.606 -0.766 122 HA GLU 20 HA GLU 20 24.586 2.522 -3.187 123 1HB GLU 20 2HB GLU 20 22.827 4.655 -2.557 124 2HB GLU 20 1HB GLU 20 24.272 5.356 -3.273 125 1HG GLU 20 2HG GLU 20 22.437 3.277 -4.474 126 2HG GLU 20 1HG GLU 20 22.757 4.906 -5.061 127 H TYR 21 H TYR 21 25.685 3.822 -0.317 128 HA TYR 21 HA TYR 21 28.155 4.845 -1.563 129 1HB TYR 21 2HB TYR 21 26.668 5.573 0.916 130 2HB TYR 21 1HB TYR 21 28.412 5.781 0.885 131 HD1 TYR 21 HD1 TYR 21 29.448 7.333 -0.761 132 HD2 TYR 21 HD2 TYR 21 25.208 7.014 -0.320 133 HE1 TYR 21 HE1 TYR 21 29.156 9.467 -1.955 134 HE2 TYR 21 HE2 TYR 21 24.929 9.149 -1.514 135 HH TYR 21 HH TYR 21 27.499 10.678 -3.190 136 H ILE 22 H ILE 22 26.870 2.259 0.239 137 HA ILE 22 HA ILE 22 29.395 1.605 1.561 138 HB ILE 22 HB ILE 22 26.760 0.172 1.477 139 1HG1 ILE 22 2HG1 ILE 22 27.023 2.503 2.717 140 2HG1 ILE 22 1HG1 ILE 22 26.122 1.190 3.491 141 1HG2 ILE 22 2HG2 ILE 22 28.735 -1.307 1.891 142 2HG2 ILE 22 1HG2 ILE 22 29.075 -0.367 3.345 143 3HG2 ILE 22 3HG2 ILE 22 27.573 -1.283 3.221 144 1HD1 ILE 22 2HD1 ILE 22 28.269 0.589 4.701 145 2HD1 ILE 22 1HD1 ILE 22 28.947 2.098 4.088 146 3HD1 ILE 22 3HD1 ILE 22 27.542 2.129 5.152 147 H GLY 23 H GLY 23 30.496 1.399 -0.469 148 1HA GLY 23 2HA GLY 23 30.932 -1.241 -1.275 149 2HA GLY 23 1HA GLY 23 29.859 -0.498 -2.461 150 H TYR 24 H TYR 24 30.682 1.922 -2.901 151 HA TYR 24 HA TYR 24 33.138 1.640 -4.313 152 1HB TYR 24 2HB TYR 24 31.777 4.242 -3.667 153 2HB TYR 24 1HB TYR 24 32.783 3.858 -5.054 154 HD1 TYR 24 HD1 TYR 24 31.923 2.024 -6.658 155 HD2 TYR 24 HD2 TYR 24 29.414 4.048 -3.841 156 HE1 TYR 24 HE1 TYR 24 29.933 1.381 -7.954 157 HE2 TYR 24 HE2 TYR 24 27.439 3.398 -5.149 158 HH TYR 24 HH TYR 24 26.963 1.328 -6.870 159 H ALA 25 H ALA 25 32.278 2.779 -1.152 160 HA ALA 25 HA ALA 25 34.612 4.327 -0.630 161 1HB ALA 25 2HB ALA 25 32.480 4.491 0.656 162 2HB ALA 25 1HB ALA 25 32.833 2.911 1.360 163 3HB ALA 25 3HB ALA 25 33.904 4.278 1.676 164 H TRP 26 H TRP 26 33.821 0.927 -0.380 165 HA TRP 26 HA TRP 26 36.013 0.137 1.244 166 1HB TRP 26 2HB TRP 26 33.883 -1.153 -0.237 167 2HB TRP 26 1HB TRP 26 35.402 -2.009 -0.430 168 HD1 TRP 26 1HD TRP 26 32.774 -1.116 2.213 169 HE1 TRP 26 1HE TRP 26 33.223 -2.524 4.294 170 HE3 TRP 26 3HE TRP 26 37.267 -3.201 0.924 171 HZ2 TRP 26 2HZ TRP 26 35.175 -4.272 5.292 172 HZ3 TRP 26 3HZ TRP 26 38.375 -4.739 2.497 173 HH2 TRP 26 HH2 TRP 26 37.340 -5.271 4.663 174 H ALA 27 H ALA 27 35.529 0.408 -2.242 175 HA ALA 27 HA ALA 27 37.985 -0.716 -3.062 176 1HB ALA 27 3HB ALA 27 35.744 0.501 -4.291 177 2HB ALA 27 2HB ALA 27 37.172 1.376 -4.847 178 3HB ALA 27 1HB ALA 27 37.064 -0.372 -5.070 179 H MET 28 H MET 28 37.052 2.529 -2.066 180 HA MET 28 HA MET 28 39.406 3.870 -2.813 181 1HB MET 28 2HB MET 28 37.055 4.727 -2.114 182 2HB MET 28 1HB MET 28 37.707 4.627 -0.483 183 1HG MET 28 2HG MET 28 37.958 6.862 -1.428 184 2HG MET 28 1HG MET 28 39.510 6.121 -1.079 185 1HE MET 28 1HE MET 28 37.846 8.286 -2.862 186 2HE MET 28 3HE MET 28 39.179 8.699 -3.950 187 3HE MET 28 2HE MET 28 37.738 7.900 -4.579 188 H VAL 29 H VAL 29 38.404 2.149 0.092 189 HA VAL 29 HA VAL 29 40.478 2.920 1.813 190 HB VAL 29 HB VAL 29 38.859 0.380 1.651 191 1HG1 VAL 29 1HG1 VAL 29 40.844 1.318 3.697 192 2HG1 VAL 29 3HG1 VAL 29 39.526 0.225 4.123 193 3HG1 VAL 29 2HG1 VAL 29 40.718 -0.259 2.915 194 1HG2 VAL 29 3HG2 VAL 29 37.758 2.665 2.089 195 2HG2 VAL 29 2HG2 VAL 29 37.404 1.348 3.208 196 3HG2 VAL 29 1HG2 VAL 29 38.567 2.598 3.656 197 H VAL 30 H VAL 30 40.230 0.209 -0.473 198 HA VAL 30 HA VAL 30 42.678 -1.017 0.102 199 HB VAL 30 HB VAL 30 41.101 -0.874 -2.465 200 1HG1 VAL 30 3HG1 VAL 30 43.548 -2.363 -1.688 201 2HG1 VAL 30 2HG1 VAL 30 42.354 -3.186 -2.693 202 3HG1 VAL 30 1HG1 VAL 30 43.085 -1.678 -3.246 203 1HG2 VAL 30 2HG2 VAL 30 41.109 -2.848 -0.181 204 2HG2 VAL 30 1HG2 VAL 30 39.772 -1.825 -0.710 205 3HG2 VAL 30 3HG2 VAL 30 40.333 -3.145 -1.738 206 H VAL 31 H VAL 31 41.833 1.717 -1.936 207 HA VAL 31 HA VAL 31 44.358 1.926 -3.237 208 HB VAL 31 HB VAL 31 42.087 3.869 -2.871 209 1HG1 VAL 31 2HG1 VAL 31 44.568 4.065 -4.564 210 2HG1 VAL 31 1HG1 VAL 31 43.130 5.057 -4.816 211 3HG1 VAL 31 3HG1 VAL 31 44.027 5.172 -3.301 212 1HG2 VAL 31 1HG2 VAL 31 42.746 1.746 -4.841 213 2HG2 VAL 31 3HG2 VAL 31 41.176 2.301 -4.257 214 3HG2 VAL 31 2HG2 VAL 31 42.048 3.239 -5.472 215 H ILE 32 H ILE 32 43.304 2.661 -0.102 216 HA ILE 32 HA ILE 32 45.249 4.799 0.320 217 HB ILE 32 HB ILE 32 43.234 3.489 2.145 218 1HG1 ILE 32 2HG1 ILE 32 43.337 6.227 0.871 219 2HG1 ILE 32 1HG1 ILE 32 42.252 4.912 0.428 220 1HG2 ILE 32 3HG2 ILE 32 45.561 5.014 2.819 221 2HG2 ILE 32 2HG2 ILE 32 44.118 5.952 3.212 222 3HG2 ILE 32 1HG2 ILE 32 44.331 4.335 3.888 223 1HD1 ILE 32 1HD1 ILE 32 42.095 5.439 3.266 224 2HD1 ILE 32 3HD1 ILE 32 41.794 6.913 2.344 225 3HD1 ILE 32 2HD1 ILE 32 40.813 5.475 2.053 226 H VAL 33 H VAL 33 44.563 1.510 1.503 227 HA VAL 33 HA VAL 33 47.063 1.361 2.932 228 HB VAL 33 HB VAL 33 44.721 -0.451 2.458 229 1HG1 VAL 33 1HG1 VAL 33 47.308 -1.274 3.766 230 2HG1 VAL 33 3HG1 VAL 33 45.807 -2.201 3.785 231 3HG1 VAL 33 2HG1 VAL 33 46.646 -1.910 2.260 232 1HG2 VAL 33 3HG2 VAL 33 45.991 0.888 4.823 233 2HG2 VAL 33 2HG2 VAL 33 44.332 1.014 4.234 234 3HG2 VAL 33 1HG2 VAL 33 44.878 -0.466 5.024 235 H GLY 34 H GLY 34 45.621 -0.561 0.276 236 1HA GLY 34 2HA GLY 34 47.842 -1.991 -0.511 237 2HA GLY 34 1HA GLY 34 46.573 -1.470 -1.620 238 H ALA 35 H ALA 35 47.165 1.383 -0.975 239 HA ALA 35 HA ALA 35 49.029 1.881 -3.074 240 1HB ALA 35 3HB ALA 35 47.507 3.559 -1.123 241 2HB ALA 35 2HB ALA 35 48.828 4.287 -2.040 242 3HB ALA 35 1HB ALA 35 47.457 3.566 -2.887 243 H THR 36 H THR 36 49.305 1.482 0.357 244 HA THR 36 HA THR 36 51.882 2.790 0.535 245 HB THR 36 HB THR 36 49.981 2.453 2.360 246 HG1 THR 36 HG1 THR 36 51.799 2.657 3.922 247 1HG2 THR 36 1HG2 THR 36 51.823 0.109 2.884 248 2HG2 THR 36 3HG2 THR 36 50.611 0.733 4.004 249 3HG2 THR 36 2HG2 THR 36 50.111 0.011 2.476 250 H ILE 37 H ILE 37 50.668 -0.542 0.699 251 HA ILE 37 HA ILE 37 52.993 -1.950 1.112 252 HB ILE 37 HB ILE 37 50.716 -2.647 -0.733 253 1HG1 ILE 37 2HG1 ILE 37 51.194 -3.222 2.178 254 2HG1 ILE 37 1HG1 ILE 37 49.949 -2.179 1.507 255 1HG2 ILE 37 1HG2 ILE 37 52.844 -4.392 0.500 256 2HG2 ILE 37 3HG2 ILE 37 51.394 -4.996 -0.305 257 3HG2 ILE 37 2HG2 ILE 37 52.593 -4.078 -1.218 258 1HD1 ILE 37 2HD1 ILE 37 49.715 -4.718 0.245 259 2HD1 ILE 37 1HD1 ILE 37 49.846 -4.996 1.983 260 3HD1 ILE 37 3HD1 ILE 37 48.577 -3.944 1.350 261 H GLY 38 H GLY 38 51.869 -0.416 -1.836 262 1HA GLY 38 2HA GLY 38 53.707 -1.576 -3.647 263 2HA GLY 38 1HA GLY 38 52.863 -0.043 -3.872 264 H ILE 39 H ILE 39 53.733 1.721 -2.330 265 HA ILE 39 HA ILE 39 56.371 2.294 -3.111 266 HB ILE 39 HB ILE 39 54.777 3.500 -0.855 267 1HG1 ILE 39 2HG1 ILE 39 54.925 4.976 -3.370 268 2HG1 ILE 39 1HG1 ILE 39 54.113 3.427 -3.538 269 1HG2 ILE 39 3HG2 ILE 39 57.422 3.974 -1.840 270 2HG2 ILE 39 2HG2 ILE 39 56.416 5.393 -2.130 271 3HG2 ILE 39 1HG2 ILE 39 56.578 4.746 -0.498 272 1HD1 ILE 39 2HD1 ILE 39 53.127 4.542 -1.153 273 2HD1 ILE 39 1HD1 ILE 39 53.151 5.859 -2.328 274 3HD1 ILE 39 3HD1 ILE 39 52.271 4.373 -2.687 275 H LYS 40 H LYS 40 55.046 0.820 -0.209 276 HA LYS 40 HA LYS 40 57.325 0.988 1.433 277 1HB LYS 40 2HB LYS 40 54.818 0.201 1.858 278 2HB LYS 40 1HB LYS 40 55.536 -1.381 1.581 279 1HG LYS 40 2HG LYS 40 56.047 -1.304 3.769 280 2HG LYS 40 1HG LYS 40 57.345 -0.224 3.272 281 1HD LYS 40 2HD LYS 40 54.632 0.923 3.766 282 2HD LYS 40 1HD LYS 40 55.616 0.477 5.158 283 1HE LYS 40 2HE LYS 40 56.144 2.563 3.051 284 2HE LYS 40 1HE LYS 40 56.160 2.736 4.804 285 1HZ LYS 40 3HZ LYS 40 58.111 1.046 4.612 286 2HZ LYS 40 2HZ LYS 40 58.220 1.650 3.028 287 3HZ LYS 40 1HZ LYS 40 58.373 2.701 4.353 288 H LEU 41 H LEU 41 56.151 -1.579 -0.719 289 HA LEU 41 HA LEU 41 58.224 -3.419 -0.334 290 1HB LEU 41 2HB LEU 41 56.224 -2.889 -2.478 291 2HB LEU 41 1HB LEU 41 57.543 -3.993 -2.838 292 HG LEU 41 HG LEU 41 55.611 -4.220 -0.525 293 1HD1 LEU 41 1HD1 LEU 41 54.625 -4.711 -2.738 294 2HD1 LEU 41 3HD1 LEU 41 55.863 -5.943 -2.991 295 3HD1 LEU 41 2HD1 LEU 41 54.687 -6.129 -1.688 296 1HD2 LEU 41 2HD2 LEU 41 58.191 -5.460 -0.990 297 2HD2 LEU 41 1HD2 LEU 41 57.152 -5.525 0.434 298 3HD2 LEU 41 3HD2 LEU 41 56.906 -6.663 -0.890 299 H PHE 42 H PHE 42 58.074 -0.495 -2.211 300 HA PHE 42 HA PHE 42 60.304 -1.014 -3.912 301 1HB PHE 42 2HB PHE 42 58.370 0.766 -4.053 302 2HB PHE 42 1HB PHE 42 59.503 1.755 -3.142 303 HD1 PHE 42 HD1 PHE 42 59.376 -0.434 -6.166 304 HD2 PHE 42 HD2 PHE 42 61.041 3.028 -4.302 305 HE1 PHE 42 HE1 PHE 42 60.561 0.121 -8.255 306 HE2 PHE 42 HE2 PHE 42 62.226 3.583 -6.391 307 HZ PHE 42 HZ PHE 42 61.986 2.129 -8.368 308 H LYS 43 H LYS 43 59.911 0.724 -0.842 309 HA LYS 43 HA LYS 43 62.533 1.708 -0.642 310 1HB LYS 43 2HB LYS 43 60.470 1.044 1.442 311 2HB LYS 43 1HB LYS 43 62.015 1.792 1.840 312 1HG LYS 43 2HG LYS 43 60.343 3.002 -0.331 313 2HG LYS 43 1HG LYS 43 59.855 3.264 1.332 314 1HD LYS 43 2HD LYS 43 61.455 4.802 1.674 315 2HD LYS 43 1HD LYS 43 62.705 3.780 0.980 316 1HE LYS 43 2HE LYS 43 62.020 6.084 -0.133 317 2HE LYS 43 1HE LYS 43 62.491 4.701 -1.114 318 1HZ LYS 43 2HZ LYS 43 59.665 5.016 -0.400 319 2HZ LYS 43 1HZ LYS 43 60.311 6.033 -1.597 320 3HZ LYS 43 3HZ LYS 43 60.361 4.350 -1.799 321 H LYS 44 H LYS 44 61.103 -1.349 0.382 322 HA LYS 44 HA LYS 44 63.244 -2.325 1.906 323 1HB LYS 44 2HB LYS 44 60.914 -3.269 1.764 324 2HB LYS 44 1HB LYS 44 61.353 -3.976 0.226 325 1HG LYS 44 2HG LYS 44 62.910 -4.515 2.761 326 2HG LYS 44 1HG LYS 44 61.506 -5.479 2.285 327 1HD LYS 44 2HD LYS 44 64.144 -5.207 0.796 328 2HD LYS 44 1HD LYS 44 63.452 -6.700 1.443 329 1HE LYS 44 2HE LYS 44 62.439 -5.072 -0.906 330 2HE LYS 44 1HE LYS 44 63.133 -6.687 -0.948 331 1HZ LYS 44 3HZ LYS 44 61.239 -7.411 0.455 332 2HZ LYS 44 2HZ LYS 44 60.550 -5.870 0.259 333 3HZ LYS 44 1HZ LYS 44 60.787 -6.876 -1.089 334 H PHE 45 H PHE 45 62.479 -2.860 -1.533 335 HA PHE 45 HA PHE 45 64.841 -4.369 -2.058 336 1HB PHE 45 2HB PHE 45 62.649 -3.161 -3.662 337 2HB PHE 45 1HB PHE 45 64.145 -3.536 -4.486 338 HD1 PHE 45 HD2 PHE 45 65.066 -5.927 -4.339 339 HD2 PHE 45 HD1 PHE 45 61.057 -4.896 -3.207 340 HE1 PHE 45 HE2 PHE 45 64.392 -8.280 -4.531 341 HE2 PHE 45 HE1 PHE 45 60.408 -7.255 -3.407 342 HZ PHE 45 HZ PHE 45 62.068 -8.947 -4.068 343 H THR 46 H THR 46 64.102 -0.973 -1.996 344 HA THR 46 HA THR 46 66.562 -0.300 -3.412 345 HB THR 46 HB THR 46 65.697 1.962 -3.354 346 HG1 THR 46 HG1 THR 46 64.149 2.525 -2.041 347 1HG2 THR 46 2HG2 THR 46 64.076 -0.293 -4.379 348 2HG2 THR 46 1HG2 THR 46 63.318 1.302 -4.390 349 3HG2 THR 46 3HG2 THR 46 64.837 1.041 -5.249 350 H SER 47 H SER 47 65.659 -0.924 -0.239 351 HA SER 47 HA SER 47 67.705 0.923 0.822 352 1HB SER 47 2HB SER 47 65.323 -0.361 2.148 353 2HB SER 47 1HB SER 47 66.591 0.478 3.035 354 HG SER 47 HG SER 47 66.061 2.367 1.907 355 H LYS 48 H LYS 48 67.653 -2.072 -0.285 356 HA LYS 48 HA LYS 48 68.513 -3.713 1.808 357 1HB LYS 48 2HB LYS 48 68.759 -3.793 -1.168 358 2HB LYS 48 1HB LYS 48 69.696 -4.928 -0.203 359 1HG LYS 48 2HG LYS 48 66.744 -4.618 0.275 360 2HG LYS 48 1HG LYS 48 67.327 -5.608 -1.058 361 1HD LYS 48 2HD LYS 48 68.888 -6.526 0.972 362 2HD LYS 48 1HD LYS 48 67.414 -6.114 1.848 363 1HE LYS 48 2HE LYS 48 67.246 -8.406 1.143 364 2HE LYS 48 1HE LYS 48 66.123 -7.453 0.177 365 1HZ LYS 48 2HZ LYS 48 68.837 -8.293 -0.684 366 2HZ LYS 48 1HZ LYS 48 67.385 -9.037 -1.156 367 3HZ LYS 48 3HZ LYS 48 67.706 -7.438 -1.621 368 H ALA 49 H ALA 49 70.458 -2.099 -0.705 369 HA ALA 49 HA ALA 49 72.686 -1.564 -0.785 370 1HB ALA 49 1HB ALA 49 71.629 0.021 0.967 371 2HB ALA 49 3HB ALA 49 72.488 -0.966 2.151 372 3HB ALA 49 2HB ALA 49 73.388 -0.104 0.901 373 H SER 50 H SER 50 72.501 -4.210 -0.674 374 HA SER 50 HA SER 50 73.788 -5.459 1.525 375 1HB SER 50 2HB SER 50 72.352 -6.402 -0.514 376 2HB SER 50 1HB SER 50 73.958 -6.667 -1.183 377 HG SER 50 HG SER 50 74.294 -8.196 0.271 No H/Q in entry = 377 Start of MODEL 2 1 1H ALA 1 2H ALA 1 3.089 -12.854 17.955 2 2H ALA 1 1H ALA 1 4.269 -12.349 16.843 3 3H ALA 1 3H ALA 1 4.731 -13.168 18.255 4 HA ALA 1 HA ALA 1 4.500 -11.378 19.584 5 1HB ALA 1 2HB ALA 1 6.137 -10.791 17.778 6 2HB ALA 1 1HB ALA 1 4.825 -10.011 16.893 7 3HB ALA 1 3HB ALA 1 5.332 -9.374 18.459 8 H GLU 2 H GLU 2 3.173 -9.861 20.476 9 HA GLU 2 HA GLU 2 0.468 -9.885 19.998 10 1HB GLU 2 2HB GLU 2 2.163 -8.625 21.789 11 2HB GLU 2 1HB GLU 2 1.360 -7.290 20.965 12 1HG GLU 2 2HG GLU 2 -0.832 -8.352 21.457 13 2HG GLU 2 1HG GLU 2 0.011 -9.607 22.367 14 H GLY 3 H GLY 3 -0.773 -9.138 18.409 15 1HA GLY 3 2HA GLY 3 0.223 -7.667 16.217 16 2HA GLY 3 1HA GLY 3 -1.474 -7.994 16.547 17 H ASP 4 H ASP 4 1.111 -5.744 16.836 18 HA ASP 4 HA ASP 4 -0.719 -3.562 17.311 19 1HB ASP 4 2HB ASP 4 0.020 -4.664 19.587 20 2HB ASP 4 1HB ASP 4 1.498 -3.744 19.300 21 H ASP 5 H ASP 5 2.735 -4.136 17.860 22 HA ASP 5 HA ASP 5 3.683 -3.011 15.484 23 1HB ASP 5 2HB ASP 5 2.609 -0.962 16.521 24 2HB ASP 5 1HB ASP 5 3.843 -1.062 17.778 25 HA PRO 6 HA PRO 6 6.865 -4.935 18.179 26 1HB PRO 6 2HB PRO 6 7.382 -7.091 16.632 27 2HB PRO 6 1HB PRO 6 6.084 -7.048 17.835 28 1HG PRO 6 2HG PRO 6 5.910 -7.024 14.914 29 2HG PRO 6 1HG PRO 6 4.672 -7.422 16.115 30 1HD PRO 6 2HD PRO 6 5.013 -4.966 14.656 31 2HD PRO 6 1HD PRO 6 3.743 -5.388 15.823 32 H ALA 7 H ALA 7 6.842 -3.204 15.465 33 HA ALA 7 HA ALA 7 9.578 -3.834 14.608 34 1HB ALA 7 2HB ALA 7 7.298 -2.322 13.381 35 2HB ALA 7 1HB ALA 7 8.952 -2.043 12.831 36 3HB ALA 7 3HB ALA 7 8.243 -3.654 12.711 37 H LYS 8 H LYS 8 8.561 -2.267 17.100 38 HA LYS 8 HA LYS 8 9.278 0.427 16.854 39 1HB LYS 8 2HB LYS 8 9.391 0.418 19.259 40 2HB LYS 8 1HB LYS 8 8.037 -0.582 18.756 41 1HG LYS 8 2HG LYS 8 9.938 -2.464 18.851 42 2HG LYS 8 1HG LYS 8 10.609 -1.358 20.045 43 1HD LYS 8 2HD LYS 8 8.058 -2.947 20.113 44 2HD LYS 8 1HD LYS 8 9.276 -2.747 21.364 45 1HE LYS 8 2HE LYS 8 7.004 -0.924 20.617 46 2HE LYS 8 1HE LYS 8 7.474 -1.524 22.205 47 1HZ LYS 8 2HZ LYS 8 9.638 -0.089 21.376 48 2HZ LYS 8 1HZ LYS 8 8.323 0.833 20.824 49 3HZ LYS 8 3HZ LYS 8 8.448 0.437 22.468 50 H ALA 9 H ALA 9 11.177 -2.471 17.319 51 HA ALA 9 HA ALA 9 13.613 -1.117 18.020 52 1HB ALA 9 1HB ALA 9 12.694 -3.752 18.073 53 2HB ALA 9 3HB ALA 9 13.986 -3.751 16.870 54 3HB ALA 9 2HB ALA 9 14.307 -3.189 18.512 55 H ALA 10 H ALA 10 12.420 -2.752 15.092 56 HA ALA 10 HA ALA 10 14.640 -2.172 13.455 57 1HB ALA 10 3HB ALA 10 12.511 -3.728 13.122 58 2HB ALA 10 2HB ALA 10 11.916 -2.309 12.256 59 3HB ALA 10 1HB ALA 10 13.415 -3.091 11.746 60 H PHE 11 H PHE 11 11.898 -0.283 14.445 61 HA PHE 11 HA PHE 11 12.123 1.731 12.413 62 1HB PHE 11 2HB PHE 11 10.182 1.053 14.154 63 2HB PHE 11 1HB PHE 11 10.895 2.404 15.019 64 HD1 PHE 11 HD2 PHE 11 11.210 4.615 13.720 65 HD2 PHE 11 HD1 PHE 11 8.631 1.458 12.397 66 HE1 PHE 11 HE2 PHE 11 9.985 6.200 12.291 67 HE2 PHE 11 HE1 PHE 11 7.421 3.055 10.975 68 HZ PHE 11 HZ PHE 11 8.094 5.423 10.920 69 H ASN 12 H ASN 12 13.133 1.462 15.802 70 HA ASN 12 HA ASN 12 14.370 4.044 15.882 71 1HB ASN 12 2HB ASN 12 13.488 2.548 17.827 72 2HB ASN 12 1HB ASN 12 15.087 1.808 17.744 73 1HD2 ASN 12 2HD2 ASN 12 15.826 4.346 20.109 74 2HD2 ASN 12 1HD2 ASN 12 15.325 2.703 19.919 75 H SER 13 H SER 13 15.341 0.911 14.800 76 HA SER 13 HA SER 13 18.189 1.484 14.949 77 1HB SER 13 2HB SER 13 16.706 -0.851 14.908 78 2HB SER 13 1HB SER 13 17.403 -0.781 13.291 79 HG SER 13 HG SER 13 18.831 -0.572 15.743 80 H LEU 14 H LEU 14 15.602 1.481 12.588 81 HA LEU 14 HA LEU 14 17.022 1.560 10.204 82 1HB LEU 14 2HB LEU 14 14.611 1.403 10.234 83 2HB LEU 14 1HB LEU 14 14.485 2.984 10.996 84 HG LEU 14 HG LEU 14 15.578 3.986 8.976 85 1HD1 LEU 14 3HD1 LEU 14 15.328 1.164 7.932 86 2HD1 LEU 14 2HD1 LEU 14 15.455 2.560 6.864 87 3HD1 LEU 14 1HD1 LEU 14 16.764 2.189 7.986 88 1HD2 LEU 14 3HD2 LEU 14 12.935 2.560 8.703 89 2HD2 LEU 14 2HD2 LEU 14 13.245 4.275 8.999 90 3HD2 LEU 14 1HD2 LEU 14 13.573 3.579 7.412 91 H GLN 15 H GLN 15 16.291 4.143 12.489 92 HA GLN 15 HA GLN 15 17.260 6.316 10.976 93 1HB GLN 15 2HB GLN 15 15.864 6.613 12.949 94 2HB GLN 15 1HB GLN 15 17.127 5.933 13.969 95 1HG GLN 15 2HG GLN 15 17.460 8.213 14.257 96 2HG GLN 15 1HG GLN 15 18.594 7.851 12.955 97 1HE2 GLN 15 2HD2 GLN 15 17.137 10.532 11.247 98 2HE2 GLN 15 1HD2 GLN 15 18.524 9.907 12.063 99 H ALA 16 H ALA 16 18.846 4.065 13.178 100 HA ALA 16 HA ALA 16 21.416 5.418 12.873 101 1HB ALA 16 3HB ALA 16 20.479 3.074 14.515 102 2HB ALA 16 2HB ALA 16 22.179 3.536 14.404 103 3HB ALA 16 1HB ALA 16 21.000 4.662 15.079 104 H SER 17 H SER 17 19.889 3.792 10.719 105 HA SER 17 HA SER 17 22.072 1.920 10.050 106 1HB SER 17 2HB SER 17 20.535 0.586 8.915 107 2HB SER 17 1HB SER 17 19.624 1.125 10.321 108 HG SER 17 HG SER 17 18.569 1.329 8.173 109 H ALA 18 H ALA 18 22.322 4.710 9.622 110 HA ALA 18 HA ALA 18 21.870 5.124 6.758 111 1HB ALA 18 1HB ALA 18 21.779 6.820 8.925 112 2HB ALA 18 3HB ALA 18 23.346 7.189 8.201 113 3HB ALA 18 2HB ALA 18 21.875 7.318 7.234 114 H THR 19 H THR 19 23.592 3.089 7.153 115 HA THR 19 HA THR 19 26.315 4.155 6.866 116 HB THR 19 HB THR 19 27.048 1.853 7.096 117 HG1 THR 19 HG1 THR 19 25.646 0.187 7.108 118 1HG2 THR 19 1HG2 THR 19 25.279 3.113 9.096 119 2HG2 THR 19 3HG2 THR 19 25.563 1.387 9.332 120 3HG2 THR 19 2HG2 THR 19 26.928 2.506 9.267 121 H GLU 20 H GLU 20 24.175 4.414 4.823 122 HA GLU 20 HA GLU 20 25.016 2.663 2.674 123 1HB GLU 20 2HB GLU 20 22.717 4.206 3.278 124 2HB GLU 20 1HB GLU 20 23.377 4.812 1.765 125 1HG GLU 20 2HG GLU 20 22.530 1.984 2.405 126 2HG GLU 20 1HG GLU 20 21.820 3.076 1.220 127 H TYR 21 H TYR 21 26.083 5.552 3.987 128 HA TYR 21 HA TYR 21 27.293 6.415 1.440 129 1HB TYR 21 2HB TYR 21 26.536 7.894 3.936 130 2HB TYR 21 1HB TYR 21 27.726 8.552 2.824 131 HD1 TYR 21 HD2 TYR 21 27.059 9.282 0.574 132 HD2 TYR 21 HD1 TYR 21 24.206 7.700 3.336 133 HE1 TYR 21 HE2 TYR 21 25.223 10.148 -0.817 134 HE2 TYR 21 HE1 TYR 21 22.376 8.567 1.935 135 HH TYR 21 HH TYR 21 22.967 9.968 -1.214 136 H ILE 22 H ILE 22 27.976 5.175 4.599 137 HA ILE 22 HA ILE 22 30.787 5.939 4.489 138 HB ILE 22 HB ILE 22 29.130 4.404 6.489 139 1HG1 ILE 22 2HG1 ILE 22 28.874 6.961 6.210 140 2HG1 ILE 22 1HG1 ILE 22 29.140 6.344 7.849 141 1HG2 ILE 22 1HG2 ILE 22 32.072 5.110 6.620 142 2HG2 ILE 22 3HG2 ILE 22 31.124 4.574 8.009 143 3HG2 ILE 22 2HG2 ILE 22 31.359 3.495 6.630 144 1HD1 ILE 22 1HD1 ILE 22 31.715 6.850 6.798 145 2HD1 ILE 22 3HD1 ILE 22 30.715 8.232 6.343 146 3HD1 ILE 22 2HD1 ILE 22 30.853 7.758 8.036 147 H GLY 23 H GLY 23 28.943 3.486 3.168 148 1HA GLY 23 2HA GLY 23 30.807 1.311 3.547 149 2HA GLY 23 1HA GLY 23 29.366 1.299 2.530 150 H TYR 24 H TYR 24 30.287 3.867 1.251 151 HA TYR 24 HA TYR 24 31.790 2.659 -0.900 152 1HB TYR 24 2HB TYR 24 31.232 5.593 -0.579 153 2HB TYR 24 1HB TYR 24 31.462 4.683 -2.062 154 HD1 TYR 24 HD2 TYR 24 29.492 2.403 -0.715 155 HD2 TYR 24 HD1 TYR 24 29.222 6.555 -1.711 156 HE1 TYR 24 HE2 TYR 24 27.059 2.194 -0.956 157 HE2 TYR 24 HE1 TYR 24 26.783 6.327 -1.947 158 HH TYR 24 HH TYR 24 25.190 4.043 -2.529 159 H ALA 25 H ALA 25 32.486 4.662 1.860 160 HA ALA 25 HA ALA 25 34.996 5.677 1.042 161 1HB ALA 25 3HB ALA 25 33.652 5.250 3.684 162 2HB ALA 25 2HB ALA 25 35.346 5.746 3.624 163 3HB ALA 25 1HB ALA 25 34.102 6.761 2.890 164 H TRP 26 H TRP 26 34.020 2.513 1.874 165 HA TRP 26 HA TRP 26 36.603 1.631 2.842 166 1HB TRP 26 2HB TRP 26 33.895 0.556 2.645 167 2HB TRP 26 1HB TRP 26 35.131 -0.616 2.225 168 HD1 TRP 26 1HD TRP 26 33.378 0.761 5.171 169 HE1 TRP 26 1HE TRP 26 34.589 0.086 7.314 170 HE3 TRP 26 3HE TRP 26 37.792 -0.927 3.200 171 HZ2 TRP 26 2HZ TRP 26 37.052 -1.009 8.108 172 HZ3 TRP 26 3HZ TRP 26 39.538 -1.777 4.714 173 HH2 TRP 26 HH2 TRP 26 39.175 -1.820 7.146 174 H ALA 27 H ALA 27 34.560 0.926 0.009 175 HA ALA 27 HA ALA 27 36.176 -0.754 -1.412 176 1HB ALA 27 1HB ALA 27 33.869 0.101 -2.029 177 2HB ALA 27 3HB ALA 27 34.678 1.505 -2.725 178 3HB ALA 27 2HB ALA 27 35.001 -0.107 -3.367 179 H MET 28 H MET 28 36.559 2.734 -1.068 180 HA MET 28 HA MET 28 38.580 2.972 -3.077 181 1HB MET 28 2HB MET 28 37.625 4.740 -0.846 182 2HB MET 28 1HB MET 28 38.977 5.171 -1.856 183 1HG MET 28 2HG MET 28 36.116 4.842 -2.701 184 2HG MET 28 1HG MET 28 37.110 6.283 -2.772 185 1HE MET 28 2HE MET 28 37.716 7.187 -4.669 186 2HE MET 28 1HE MET 28 38.056 6.450 -6.234 187 3HE MET 28 3HE MET 28 36.390 6.561 -5.648 188 H VAL 29 H VAL 29 38.531 2.596 0.430 189 HA VAL 29 HA VAL 29 41.189 2.998 1.051 190 HB VAL 29 HB VAL 29 38.903 1.948 2.303 191 1HG1 VAL 29 1HG1 VAL 29 41.230 0.056 2.606 192 2HG1 VAL 29 3HG1 VAL 29 39.861 0.135 3.718 193 3HG1 VAL 29 2HG1 VAL 29 39.605 -0.324 2.033 194 1HG2 VAL 29 1HG2 VAL 29 41.643 2.592 3.388 195 2HG2 VAL 29 3HG2 VAL 29 40.277 3.697 3.222 196 3HG2 VAL 29 2HG2 VAL 29 40.199 2.364 4.375 197 H VAL 30 H VAL 30 39.662 -0.038 0.022 198 HA VAL 30 HA VAL 30 41.832 -1.728 0.014 199 HB VAL 30 HB VAL 30 39.587 -1.577 -1.991 200 1HG1 VAL 30 3HG1 VAL 30 41.481 -3.008 -2.670 201 2HG1 VAL 30 2HG1 VAL 30 41.284 -3.926 -1.176 202 3HG1 VAL 30 1HG1 VAL 30 39.997 -3.917 -2.383 203 1HG2 VAL 30 1HG2 VAL 30 39.674 -2.297 0.824 204 2HG2 VAL 30 3HG2 VAL 30 38.285 -2.019 -0.228 205 3HG2 VAL 30 2HG2 VAL 30 39.056 -3.606 -0.185 206 H VAL 31 H VAL 31 40.915 0.727 -2.338 207 HA VAL 31 HA VAL 31 42.932 -0.006 -4.241 208 HB VAL 31 HB VAL 31 41.144 2.401 -3.972 209 1HG1 VAL 31 2HG1 VAL 31 43.278 1.738 -5.926 210 2HG1 VAL 31 1HG1 VAL 31 41.805 2.502 -6.528 211 3HG1 VAL 31 3HG1 VAL 31 42.771 3.302 -5.288 212 1HG2 VAL 31 1HG2 VAL 31 40.929 -0.239 -5.321 213 2HG2 VAL 31 3HG2 VAL 31 39.680 0.748 -4.561 214 3HG2 VAL 31 2HG2 VAL 31 40.274 1.162 -6.171 215 H ILE 32 H ILE 32 42.672 2.072 -1.506 216 HA ILE 32 HA ILE 32 45.053 3.609 -2.127 217 HB ILE 32 HB ILE 32 43.380 3.468 0.380 218 1HG1 ILE 32 2HG1 ILE 32 43.431 5.483 -1.873 219 2HG1 ILE 32 1HG1 ILE 32 42.139 4.333 -1.539 220 1HG2 ILE 32 3HG2 ILE 32 45.732 4.218 0.735 221 2HG2 ILE 32 2HG2 ILE 32 45.435 5.536 -0.401 222 3HG2 ILE 32 1HG2 ILE 32 44.525 5.450 1.109 223 1HD1 ILE 32 2HD1 ILE 32 43.034 6.334 0.528 224 2HD1 ILE 32 1HD1 ILE 32 41.829 6.746 -0.694 225 3HD1 ILE 32 3HD1 ILE 32 41.514 5.440 0.451 226 H VAL 33 H VAL 33 44.221 0.699 -0.450 227 HA VAL 33 HA VAL 33 46.406 0.514 1.315 228 HB VAL 33 HB VAL 33 44.707 -1.605 0.008 229 1HG1 VAL 33 3HG1 VAL 33 46.987 -1.765 1.765 230 2HG1 VAL 33 2HG1 VAL 33 45.552 -2.491 2.493 231 3HG1 VAL 33 1HG1 VAL 33 46.122 -3.047 0.919 232 1HG2 VAL 33 2HG2 VAL 33 44.199 0.327 2.101 233 2HG2 VAL 33 1HG2 VAL 33 43.082 -0.775 1.293 234 3HG2 VAL 33 3HG2 VAL 33 44.010 -1.326 2.690 235 H GLY 34 H GLY 34 45.941 -0.343 -2.065 236 1HA GLY 34 2HA GLY 34 48.315 -1.890 -2.360 237 2HA GLY 34 1HA GLY 34 47.376 -1.170 -3.668 238 H ALA 35 H ALA 35 47.524 1.514 -2.995 239 HA ALA 35 HA ALA 35 49.884 2.377 -4.158 240 1HB ALA 35 3HB ALA 35 47.623 3.615 -3.375 241 2HB ALA 35 2HB ALA 35 48.716 4.164 -2.101 242 3HB ALA 35 1HB ALA 35 49.100 4.484 -3.795 243 H THR 36 H THR 36 49.259 1.407 -0.896 244 HA THR 36 HA THR 36 51.626 2.576 0.264 245 HB THR 36 HB THR 36 49.564 0.591 1.207 246 HG1 THR 36 HG1 THR 36 49.336 2.477 2.734 247 1HG2 THR 36 2HG2 THR 36 52.062 1.530 2.597 248 2HG2 THR 36 1HG2 THR 36 50.644 0.980 3.493 249 3HG2 THR 36 3HG2 THR 36 51.470 -0.121 2.388 250 H ILE 37 H ILE 37 50.620 -0.659 -0.812 251 HA ILE 37 HA ILE 37 52.894 -2.085 -0.021 252 HB ILE 37 HB ILE 37 51.144 -2.546 -2.428 253 1HG1 ILE 37 2HG1 ILE 37 50.924 -3.498 0.414 254 2HG1 ILE 37 1HG1 ILE 37 49.814 -2.423 -0.424 255 1HG2 ILE 37 2HG2 ILE 37 53.265 -3.801 -2.490 256 2HG2 ILE 37 1HG2 ILE 37 52.890 -4.480 -0.905 257 3HG2 ILE 37 3HG2 ILE 37 51.868 -4.861 -2.292 258 1HD1 ILE 37 2HD1 ILE 37 49.747 -4.517 -2.111 259 2HD1 ILE 37 1HD1 ILE 37 50.111 -5.371 -0.609 260 3HD1 ILE 37 3HD1 ILE 37 48.660 -4.373 -0.727 261 H GLY 38 H GLY 38 52.439 0.175 -2.593 262 1HA GLY 38 2HA GLY 38 54.712 -0.677 -4.163 263 2HA GLY 38 1HA GLY 38 53.750 0.782 -4.406 264 H ILE 39 H ILE 39 54.147 1.401 -1.460 265 HA ILE 39 HA ILE 39 56.693 2.805 -1.808 266 HB ILE 39 HB ILE 39 55.022 3.097 0.640 267 1HG1 ILE 39 2HG1 ILE 39 53.292 3.233 -0.975 268 2HG1 ILE 39 1HG1 ILE 39 53.701 4.871 -0.525 269 1HG2 ILE 39 3HG2 ILE 39 57.222 4.274 0.177 270 2HG2 ILE 39 2HG2 ILE 39 56.337 5.210 -1.031 271 3HG2 ILE 39 1HG2 ILE 39 55.861 5.286 0.665 272 1HD1 ILE 39 2HD1 ILE 39 55.179 4.954 -2.581 273 2HD1 ILE 39 1HD1 ILE 39 54.424 3.436 -3.075 274 3HD1 ILE 39 3HD1 ILE 39 53.444 4.888 -2.882 275 H LYS 40 H LYS 40 55.129 0.432 0.229 276 HA LYS 40 HA LYS 40 57.142 0.148 2.173 277 1HB LYS 40 2HB LYS 40 54.668 -0.850 1.878 278 2HB LYS 40 1HB LYS 40 55.599 -2.233 1.328 279 1HG LYS 40 2HG LYS 40 55.716 -2.750 3.516 280 2HG LYS 40 1HG LYS 40 56.954 -1.498 3.588 281 1HD LYS 40 2HD LYS 40 54.043 -0.828 3.896 282 2HD LYS 40 1HD LYS 40 54.987 -1.393 5.273 283 1HE LYS 40 2HE LYS 40 55.391 1.115 3.630 284 2HE LYS 40 1HE LYS 40 55.051 0.990 5.354 285 1HZ LYS 40 2HZ LYS 40 57.313 -0.418 5.159 286 2HZ LYS 40 1HZ LYS 40 57.562 0.754 3.954 287 3HZ LYS 40 3HZ LYS 40 57.244 1.234 5.547 288 H LEU 41 H LEU 41 56.474 -1.689 -0.794 289 HA LEU 41 HA LEU 41 58.655 -3.433 -0.706 290 1HB LEU 41 2HB LEU 41 57.002 -2.281 -2.932 291 2HB LEU 41 1HB LEU 41 58.360 -3.340 -3.287 292 HG LEU 41 HG LEU 41 55.953 -3.990 -1.582 293 1HD1 LEU 41 1HD1 LEU 41 55.541 -3.983 -4.008 294 2HD1 LEU 41 3HD1 LEU 41 56.854 -5.143 -4.223 295 3HD1 LEU 41 2HD1 LEU 41 55.411 -5.602 -3.316 296 1HD2 LEU 41 3HD2 LEU 41 58.566 -5.374 -1.909 297 2HD2 LEU 41 2HD2 LEU 41 57.475 -5.318 -0.521 298 3HD2 LEU 41 1HD2 LEU 41 57.112 -6.374 -1.886 299 H PHE 42 H PHE 42 58.411 -0.090 -1.660 300 HA PHE 42 HA PHE 42 60.921 0.104 -3.008 301 1HB PHE 42 2HB PHE 42 58.832 1.662 -3.058 302 2HB PHE 42 1HB PHE 42 59.579 2.410 -1.656 303 HD1 PHE 42 HD2 PHE 42 61.893 3.366 -1.873 304 HD2 PHE 42 HD1 PHE 42 59.599 2.099 -5.243 305 HE1 PHE 42 HE2 PHE 42 63.344 4.694 -3.360 306 HE2 PHE 42 HE1 PHE 42 61.049 3.428 -6.728 307 HZ PHE 42 HZ PHE 42 62.920 4.726 -5.787 308 H LYS 43 H LYS 43 59.888 0.255 0.299 309 HA LYS 43 HA LYS 43 62.388 1.421 1.227 310 1HB LYS 43 2HB LYS 43 59.887 0.507 2.619 311 2HB LYS 43 1HB LYS 43 61.303 1.086 3.491 312 1HG LYS 43 2HG LYS 43 60.145 2.755 1.279 313 2HG LYS 43 1HG LYS 43 59.343 2.738 2.836 314 1HD LYS 43 2HD LYS 43 60.830 4.186 3.686 315 2HD LYS 43 1HD LYS 43 62.173 3.148 3.247 316 1HE LYS 43 2HE LYS 43 61.083 5.536 1.858 317 2HE LYS 43 1HE LYS 43 62.742 4.975 2.009 318 1HZ LYS 43 1HZ LYS 43 61.952 3.113 0.437 319 2HZ LYS 43 3HZ LYS 43 60.685 4.175 0.067 320 3HZ LYS 43 2HZ LYS 43 62.293 4.647 -0.201 321 H LYS 44 H LYS 44 61.957 -1.450 0.027 322 HA LYS 44 HA LYS 44 63.207 -2.936 2.241 323 1HB LYS 44 2HB LYS 44 61.119 -3.886 1.343 324 2HB LYS 44 1HB LYS 44 61.840 -3.970 -0.253 325 1HG LYS 44 2HG LYS 44 63.583 -5.256 1.624 326 2HG LYS 44 1HG LYS 44 61.950 -5.895 1.810 327 1HD LYS 44 2HD LYS 44 62.088 -5.888 -0.874 328 2HD LYS 44 1HD LYS 44 63.803 -6.071 -0.522 329 1HE LYS 44 2HE LYS 44 62.268 -8.213 -0.804 330 2HE LYS 44 1HE LYS 44 63.551 -8.183 0.401 331 1HZ LYS 44 1HZ LYS 44 60.784 -7.362 1.048 332 2HZ LYS 44 3HZ LYS 44 61.275 -8.984 1.122 333 3HZ LYS 44 2HZ LYS 44 62.027 -7.824 2.110 334 H PHE 45 H PHE 45 63.365 -2.545 -1.290 335 HA PHE 45 HA PHE 45 65.798 -3.875 -1.716 336 1HB PHE 45 2HB PHE 45 64.168 -1.869 -3.181 337 2HB PHE 45 1HB PHE 45 65.829 -2.086 -3.681 338 HD1 PHE 45 HD2 PHE 45 66.632 -4.385 -4.388 339 HD2 PHE 45 HD1 PHE 45 62.486 -3.488 -3.760 340 HE1 PHE 45 HE2 PHE 45 65.993 -6.382 -5.668 341 HE2 PHE 45 HE1 PHE 45 61.870 -5.491 -5.039 342 HZ PHE 45 HZ PHE 45 63.618 -6.938 -5.994 343 H THR 46 H THR 46 65.078 -0.696 -0.519 344 HA THR 46 HA THR 46 67.824 0.213 -0.834 345 HB THR 46 HB THR 46 66.956 2.324 -0.026 346 HG1 THR 46 HG1 THR 46 65.437 1.783 1.452 347 1HG2 THR 46 1HG2 THR 46 65.791 0.875 -2.291 348 2HG2 THR 46 3HG2 THR 46 64.838 2.261 -1.755 349 3HG2 THR 46 2HG2 THR 46 66.523 2.481 -2.231 350 H SER 47 H SER 47 65.775 -1.198 1.560 351 HA SER 47 HA SER 47 67.103 -0.248 3.890 352 1HB SER 47 2HB SER 47 65.841 -1.876 5.068 353 2HB SER 47 1HB SER 47 64.807 -1.309 3.761 354 HG SER 47 HG SER 47 64.737 -3.546 3.752 355 H LYS 48 H LYS 48 67.797 -2.722 1.566 356 HA LYS 48 HA LYS 48 69.370 -4.504 2.948 357 1HB LYS 48 2HB LYS 48 69.897 -3.410 0.186 358 2HB LYS 48 1HB LYS 48 70.479 -4.943 0.825 359 1HG LYS 48 2HG LYS 48 67.664 -4.918 1.175 360 2HG LYS 48 1HG LYS 48 67.985 -4.353 -0.461 361 1HD LYS 48 2HD LYS 48 69.149 -6.875 0.729 362 2HD LYS 48 1HD LYS 48 67.715 -6.828 -0.292 363 1HE LYS 48 2HE LYS 48 69.055 -5.839 -2.111 364 2HE LYS 48 1HE LYS 48 70.487 -5.915 -1.088 365 1HZ LYS 48 2HZ LYS 48 68.931 -8.357 -1.588 366 2HZ LYS 48 1HZ LYS 48 69.999 -7.791 -2.781 367 3HZ LYS 48 3HZ LYS 48 70.585 -8.185 -1.240 368 H ALA 49 H ALA 49 70.324 -1.414 1.495 369 HA ALA 49 HA ALA 49 72.984 -1.306 1.787 370 1HB ALA 49 1HB ALA 49 71.461 0.548 1.027 371 2HB ALA 49 3HB ALA 49 71.217 0.946 2.729 372 3HB ALA 49 2HB ALA 49 72.829 1.065 2.017 373 H SER 50 H SER 50 74.231 -2.031 3.384 374 HA SER 50 HA SER 50 73.473 -2.315 6.074 375 1HB SER 50 2HB SER 50 75.612 -3.109 6.438 376 2HB SER 50 1HB SER 50 75.438 -3.370 4.706 377 HG SER 50 HG SER 50 76.650 -1.522 4.336 No H/Q in entry = 377 Start of MODEL 3 1 1H ALA 1 3H ALA 1 11.973 -20.069 23.925 2 2H ALA 1 2H ALA 1 10.375 -19.600 23.590 3 3H ALA 1 1H ALA 1 10.686 -20.806 24.747 4 HA ALA 1 HA ALA 1 11.029 -22.416 23.235 5 1HB ALA 1 3HB ALA 1 9.398 -20.384 21.676 6 2HB ALA 1 2HB ALA 1 9.544 -22.089 21.243 7 3HB ALA 1 1HB ALA 1 8.763 -21.626 22.760 8 H GLU 2 H GLU 2 11.139 -19.589 21.076 9 HA GLU 2 HA GLU 2 13.831 -19.603 20.452 10 1HB GLU 2 2HB GLU 2 13.775 -20.777 18.234 11 2HB GLU 2 1HB GLU 2 13.649 -21.840 19.631 12 1HG GLU 2 2HG GLU 2 11.634 -22.583 18.981 13 2HG GLU 2 1HG GLU 2 11.033 -20.939 18.763 14 H GLY 3 H GLY 3 12.074 -17.614 20.765 15 1HA GLY 3 2HA GLY 3 11.321 -15.656 19.832 16 2HA GLY 3 1HA GLY 3 12.386 -16.020 18.475 17 H ASP 4 H ASP 4 9.192 -15.705 19.480 18 HA ASP 4 HA ASP 4 8.133 -17.239 17.202 19 1HB ASP 4 2HB ASP 4 7.237 -16.816 19.886 20 2HB ASP 4 1HB ASP 4 6.035 -16.172 18.768 21 H ASP 5 H ASP 5 7.380 -14.210 18.885 22 HA ASP 5 HA ASP 5 5.947 -12.950 16.888 23 1HB ASP 5 2HB ASP 5 6.598 -12.252 19.365 24 2HB ASP 5 1HB ASP 5 7.824 -11.307 18.519 25 HA PRO 6 HA PRO 6 9.033 -12.011 13.850 26 1HB PRO 6 2HB PRO 6 7.624 -10.260 12.348 27 2HB PRO 6 1HB PRO 6 7.321 -12.003 12.356 28 1HG PRO 6 2HG PRO 6 5.732 -9.826 13.516 29 2HG PRO 6 1HG PRO 6 5.238 -11.460 13.046 30 1HD PRO 6 2HD PRO 6 5.794 -10.499 15.671 31 2HD PRO 6 1HD PRO 6 5.384 -12.154 15.186 32 H ALA 7 H ALA 7 8.531 -10.084 16.354 33 HA ALA 7 HA ALA 7 9.087 -7.459 15.644 34 1HB ALA 7 1HB ALA 7 9.915 -9.051 18.071 35 2HB ALA 7 3HB ALA 7 10.165 -7.310 17.920 36 3HB ALA 7 2HB ALA 7 8.528 -7.971 17.910 37 H LYS 8 H LYS 8 11.141 -10.247 15.591 38 HA LYS 8 HA LYS 8 13.686 -9.202 15.791 39 1HB LYS 8 2HB LYS 8 12.497 -11.444 14.196 40 2HB LYS 8 1HB LYS 8 14.195 -11.024 14.001 41 1HG LYS 8 2HG LYS 8 12.804 -11.874 16.556 42 2HG LYS 8 1HG LYS 8 14.018 -12.800 15.676 43 1HD LYS 8 2HD LYS 8 14.358 -10.315 17.351 44 2HD LYS 8 1HD LYS 8 15.217 -11.845 17.459 45 1HE LYS 8 2HE LYS 8 15.585 -9.628 15.441 46 2HE LYS 8 1HE LYS 8 16.775 -10.315 16.544 47 1HZ LYS 8 2HZ LYS 8 15.841 -12.404 14.982 48 2HZ LYS 8 1HZ LYS 8 16.126 -11.112 13.917 49 3HZ LYS 8 3HZ LYS 8 17.371 -11.670 14.924 50 H ALA 9 H ALA 9 11.341 -8.788 13.273 51 HA ALA 9 HA ALA 9 12.868 -8.152 11.060 52 1HB ALA 9 3HB ALA 9 10.284 -6.923 12.032 53 2HB ALA 9 2HB ALA 9 10.969 -6.640 10.430 54 3HB ALA 9 1HB ALA 9 10.471 -8.267 10.903 55 H ALA 10 H ALA 10 11.464 -5.677 13.200 56 HA ALA 10 HA ALA 10 12.883 -3.489 12.340 57 1HB ALA 10 2HB ALA 10 11.225 -4.132 14.544 58 2HB ALA 10 1HB ALA 10 12.657 -3.324 15.185 59 3HB ALA 10 3HB ALA 10 11.676 -2.532 13.951 60 H PHE 11 H PHE 11 13.831 -5.700 14.968 61 HA PHE 11 HA PHE 11 16.240 -4.473 15.662 62 1HB PHE 11 2HB PHE 11 14.973 -6.419 16.779 63 2HB PHE 11 1HB PHE 11 15.876 -7.451 15.683 64 HD1 PHE 11 HD2 PHE 11 18.403 -7.440 15.768 65 HD2 PHE 11 HD1 PHE 11 16.004 -5.486 18.734 66 HE1 PHE 11 HE2 PHE 11 20.324 -7.382 17.298 67 HE2 PHE 11 HE1 PHE 11 17.938 -5.436 20.250 68 HZ PHE 11 HZ PHE 11 20.096 -6.383 19.536 69 H ASN 12 H ASN 12 15.532 -6.836 13.130 70 HA ASN 12 HA ASN 12 18.271 -7.207 12.362 71 1HB ASN 12 2HB ASN 12 16.116 -8.691 11.950 72 2HB ASN 12 1HB ASN 12 16.040 -7.745 10.463 73 1HD2 ASN 12 2HD2 ASN 12 18.372 -10.865 10.465 74 2HD2 ASN 12 1HD2 ASN 12 16.925 -10.611 11.375 75 H SER 13 H SER 13 15.811 -4.900 11.626 76 HA SER 13 HA SER 13 16.811 -3.990 9.119 77 1HB SER 13 2HB SER 13 15.390 -2.046 10.787 78 2HB SER 13 1HB SER 13 15.023 -2.626 9.161 79 HG SER 13 HG SER 13 13.493 -3.707 10.138 80 H LEU 14 H LEU 14 17.727 -3.429 12.405 81 HA LEU 14 HA LEU 14 19.113 -0.945 11.790 82 1HB LEU 14 2HB LEU 14 19.530 -2.361 14.370 83 2HB LEU 14 1HB LEU 14 19.393 -0.638 14.043 84 HG LEU 14 HG LEU 14 17.122 -2.643 14.017 85 1HD1 LEU 14 2HD1 LEU 14 17.894 -0.503 16.004 86 2HD1 LEU 14 1HD1 LEU 14 16.309 -1.274 15.971 87 3HD1 LEU 14 3HD1 LEU 14 17.752 -2.241 16.287 88 1HD2 LEU 14 3HD2 LEU 14 16.871 -0.766 12.379 89 2HD2 LEU 14 2HD2 LEU 14 15.633 -0.785 13.635 90 3HD2 LEU 14 1HD2 LEU 14 16.967 0.365 13.730 91 H GLN 15 H GLN 15 19.883 -4.272 12.692 92 HA GLN 15 HA GLN 15 22.718 -3.885 12.661 93 1HB GLN 15 2HB GLN 15 21.608 -5.626 14.004 94 2HB GLN 15 1HB GLN 15 21.093 -6.427 12.526 95 1HG GLN 15 2HG GLN 15 23.661 -6.371 11.963 96 2HG GLN 15 1HG GLN 15 23.830 -6.209 13.710 97 1HE2 GLN 15 2HD2 GLN 15 23.933 -9.783 13.273 98 2HE2 GLN 15 1HD2 GLN 15 24.926 -8.376 13.135 99 H ALA 16 H ALA 16 20.294 -4.873 10.347 100 HA ALA 16 HA ALA 16 22.334 -5.553 8.352 101 1HB ALA 16 1HB ALA 16 20.183 -6.914 8.806 102 2HB ALA 16 3HB ALA 16 19.369 -5.638 7.897 103 3HB ALA 16 2HB ALA 16 20.639 -6.597 7.130 104 H SER 17 H SER 17 21.524 -2.745 9.380 105 HA SER 17 HA SER 17 21.584 -1.499 6.748 106 1HB SER 17 2HB SER 17 19.139 -1.839 7.580 107 2HB SER 17 1HB SER 17 19.512 -0.514 8.674 108 HG SER 17 HG SER 17 19.911 0.799 6.906 109 H ALA 18 H ALA 18 23.318 -1.761 9.152 110 HA ALA 18 HA ALA 18 23.467 1.034 10.060 111 1HB ALA 18 1HB ALA 18 24.233 -1.571 11.191 112 2HB ALA 18 3HB ALA 18 25.423 -0.290 11.430 113 3HB ALA 18 2HB ALA 18 23.769 -0.074 12.006 114 H THR 19 H THR 19 25.671 -1.539 8.955 115 HA THR 19 HA THR 19 27.553 0.518 8.038 116 HB THR 19 HB THR 19 28.302 -1.406 9.491 117 HG1 THR 19 HG1 THR 19 29.638 -1.371 7.005 118 1HG2 THR 19 3HG2 THR 19 27.158 -2.938 7.309 119 2HG2 THR 19 2HG2 THR 19 28.864 -3.324 7.520 120 3HG2 THR 19 1HG2 THR 19 27.749 -3.496 8.875 121 H GLU 20 H GLU 20 25.056 -0.023 6.644 122 HA GLU 20 HA GLU 20 25.739 -1.456 4.236 123 1HB GLU 20 2HB GLU 20 23.405 -1.066 5.446 124 2HB GLU 20 1HB GLU 20 23.371 0.340 4.391 125 1HG GLU 20 2HG GLU 20 23.897 -1.294 2.476 126 2HG GLU 20 1HG GLU 20 23.457 -2.572 3.614 127 H TYR 21 H TYR 21 26.047 1.713 5.393 128 HA TYR 21 HA TYR 21 26.342 2.836 2.692 129 1HB TYR 21 2HB TYR 21 26.016 4.112 5.403 130 2HB TYR 21 1HB TYR 21 26.463 5.024 3.971 131 HD1 TYR 21 HD1 TYR 21 24.865 5.175 2.057 132 HD2 TYR 21 HD2 TYR 21 23.782 3.371 5.779 133 HE1 TYR 21 HE1 TYR 21 22.482 5.359 1.460 134 HE2 TYR 21 HE2 TYR 21 21.403 3.559 5.171 135 HH TYR 21 HH TYR 21 20.359 5.281 2.308 136 H ILE 22 H ILE 22 28.153 1.860 5.474 137 HA ILE 22 HA ILE 22 30.507 3.385 4.667 138 HB ILE 22 HB ILE 22 29.974 1.482 6.947 139 1HG1 ILE 22 2HG1 ILE 22 28.911 3.843 6.899 140 2HG1 ILE 22 1HG1 ILE 22 29.780 3.368 8.368 141 1HG2 ILE 22 3HG2 ILE 22 32.493 3.017 6.281 142 2HG2 ILE 22 2HG2 ILE 22 32.170 2.328 7.872 143 3HG2 ILE 22 1HG2 ILE 22 32.308 1.272 6.464 144 1HD1 ILE 22 2HD1 ILE 22 31.720 4.594 6.734 145 2HD1 ILE 22 1HD1 ILE 22 30.276 5.597 6.591 146 3HD1 ILE 22 3HD1 ILE 22 30.959 5.254 8.179 147 H GLY 23 H GLY 23 29.125 0.514 3.713 148 1HA GLY 23 2HA GLY 23 31.449 -1.149 3.526 149 2HA GLY 23 1HA GLY 23 29.897 -1.424 2.740 150 H TYR 24 H TYR 24 30.166 1.448 1.663 151 HA TYR 24 HA TYR 24 31.458 0.686 -0.816 152 1HB TYR 24 2HB TYR 24 30.007 3.172 0.075 153 2HB TYR 24 1HB TYR 24 30.727 2.996 -1.516 154 HD1 TYR 24 HD2 TYR 24 29.997 0.929 -2.904 155 HD2 TYR 24 HD1 TYR 24 27.786 2.433 0.440 156 HE1 TYR 24 HE2 TYR 24 27.973 -0.215 -3.713 157 HE2 TYR 24 HE1 TYR 24 25.777 1.284 -0.382 158 HH TYR 24 HH TYR 24 24.859 0.378 -2.387 159 H ALA 25 H ALA 25 32.220 2.522 2.016 160 HA ALA 25 HA ALA 25 34.299 4.125 0.880 161 1HB ALA 25 2HB ALA 25 33.014 4.562 3.037 162 2HB ALA 25 1HB ALA 25 34.052 3.341 3.778 163 3HB ALA 25 3HB ALA 25 34.761 4.807 3.097 164 H TRP 26 H TRP 26 34.096 0.843 1.887 165 HA TRP 26 HA TRP 26 36.829 0.436 2.584 166 1HB TRP 26 2HB TRP 26 34.434 -1.177 2.295 167 2HB TRP 26 1HB TRP 26 35.847 -1.989 1.645 168 HD1 TRP 26 1HD TRP 26 34.086 -1.426 4.843 169 HE1 TRP 26 1HE TRP 26 35.562 -2.103 6.806 170 HE3 TRP 26 3HE TRP 26 38.581 -1.897 2.441 171 HZ2 TRP 26 2HZ TRP 26 38.241 -2.765 7.316 172 HZ3 TRP 26 3HZ TRP 26 40.568 -2.564 3.735 173 HH2 TRP 26 HH2 TRP 26 40.403 -2.994 6.151 174 H ALA 27 H ALA 27 35.092 0.611 -0.408 175 HA ALA 27 HA ALA 27 36.951 -0.806 -2.030 176 1HB ALA 27 3HB ALA 27 34.531 0.777 -2.409 177 2HB ALA 27 2HB ALA 27 35.712 1.014 -3.701 178 3HB ALA 27 1HB ALA 27 35.128 -0.609 -3.324 179 H MET 28 H MET 28 36.394 2.687 -1.566 180 HA MET 28 HA MET 28 38.539 3.573 -3.122 181 1HB MET 28 2HB MET 28 36.515 4.759 -1.593 182 2HB MET 28 1HB MET 28 38.006 5.283 -0.828 183 1HG MET 28 2HG MET 28 37.162 6.824 -2.598 184 2HG MET 28 1HG MET 28 38.799 6.255 -2.864 185 1HE MET 28 3HE MET 28 39.415 6.286 -5.035 186 2HE MET 28 2HE MET 28 38.531 5.769 -6.469 187 3HE MET 28 1HE MET 28 38.089 7.274 -5.666 188 H VAL 29 H VAL 29 38.361 2.467 0.191 189 HA VAL 29 HA VAL 29 40.913 3.401 1.024 190 HB VAL 29 HB VAL 29 39.185 1.150 2.046 191 1HG1 VAL 29 3HG1 VAL 29 41.860 1.936 2.736 192 2HG1 VAL 29 2HG1 VAL 29 40.775 2.194 4.104 193 3HG1 VAL 29 1HG1 VAL 29 40.893 0.599 3.358 194 1HG2 VAL 29 1HG2 VAL 29 38.666 3.845 2.060 195 2HG2 VAL 29 3HG2 VAL 29 37.994 2.668 3.190 196 3HG2 VAL 29 2HG2 VAL 29 39.430 3.594 3.632 197 H VAL 30 H VAL 30 39.745 0.213 -0.067 198 HA VAL 30 HA VAL 30 42.082 -1.226 0.085 199 HB VAL 30 HB VAL 30 39.641 -1.832 -0.679 200 1HG1 VAL 30 3HG1 VAL 30 40.327 -0.552 -2.941 201 2HG1 VAL 30 2HG1 VAL 30 40.824 -2.192 -3.356 202 3HG1 VAL 30 1HG1 VAL 30 39.154 -1.869 -2.885 203 1HG2 VAL 30 1HG2 VAL 30 42.206 -3.202 -1.417 204 2HG2 VAL 30 3HG2 VAL 30 41.118 -3.536 -0.069 205 3HG2 VAL 30 2HG2 VAL 30 40.632 -3.944 -1.716 206 H VAL 31 H VAL 31 41.197 1.235 -2.203 207 HA VAL 31 HA VAL 31 43.282 0.665 -4.079 208 HB VAL 31 HB VAL 31 41.517 3.069 -3.671 209 1HG1 VAL 31 3HG1 VAL 31 43.494 2.408 -5.832 210 2HG1 VAL 31 2HG1 VAL 31 42.173 3.554 -6.070 211 3HG1 VAL 31 1HG1 VAL 31 43.399 3.861 -4.838 212 1HG2 VAL 31 1HG2 VAL 31 41.236 0.509 -5.125 213 2HG2 VAL 31 3HG2 VAL 31 40.001 1.557 -4.424 214 3HG2 VAL 31 2HG2 VAL 31 40.709 1.955 -5.991 215 H ILE 32 H ILE 32 42.934 2.524 -1.200 216 HA ILE 32 HA ILE 32 45.354 4.074 -1.620 217 HB ILE 32 HB ILE 32 43.540 3.815 0.776 218 1HG1 ILE 32 2HG1 ILE 32 43.772 5.986 -1.313 219 2HG1 ILE 32 1HG1 ILE 32 42.464 4.812 -1.196 220 1HG2 ILE 32 1HG2 ILE 32 45.851 4.487 1.355 221 2HG2 ILE 32 3HG2 ILE 32 45.707 5.847 0.240 222 3HG2 ILE 32 2HG2 ILE 32 44.669 5.760 1.664 223 1HD1 ILE 32 1HD1 ILE 32 42.656 5.958 1.357 224 2HD1 ILE 32 3HD1 ILE 32 42.816 7.304 0.227 225 3HD1 ILE 32 2HD1 ILE 32 41.401 6.252 0.152 226 H VAL 33 H VAL 33 44.437 1.055 -0.222 227 HA VAL 33 HA VAL 33 46.625 0.787 1.588 228 HB VAL 33 HB VAL 33 44.611 -1.097 0.385 229 1HG1 VAL 33 2HG1 VAL 33 46.907 -1.705 2.212 230 2HG1 VAL 33 1HG1 VAL 33 45.446 -2.696 2.188 231 3HG1 VAL 33 3HG1 VAL 33 46.422 -2.526 0.728 232 1HG2 VAL 33 1HG2 VAL 33 44.331 0.732 2.367 233 2HG2 VAL 33 3HG2 VAL 33 43.381 -0.750 2.240 234 3HG2 VAL 33 2HG2 VAL 33 44.797 -0.698 3.293 235 H GLY 34 H GLY 34 46.097 0.268 -1.807 236 1HA GLY 34 2HA GLY 34 48.282 -1.524 -2.262 237 2HA GLY 34 1HA GLY 34 47.404 -0.613 -3.491 238 H ALA 35 H ALA 35 47.823 1.951 -2.969 239 HA ALA 35 HA ALA 35 50.328 2.582 -3.929 240 1HB ALA 35 2HB ALA 35 48.322 4.118 -3.678 241 2HB ALA 35 1HB ALA 35 48.819 4.345 -2.000 242 3HB ALA 35 3HB ALA 35 49.891 4.840 -3.312 243 H THR 36 H THR 36 49.337 1.858 -0.685 244 HA THR 36 HA THR 36 51.648 2.812 0.692 245 HB THR 36 HB THR 36 49.516 0.782 1.355 246 HG1 THR 36 HG1 THR 36 48.550 2.644 1.625 247 1HG2 THR 36 3HG2 THR 36 51.921 1.631 2.913 248 2HG2 THR 36 2HG2 THR 36 50.420 1.256 3.761 249 3HG2 THR 36 1HG2 THR 36 51.194 0.030 2.752 250 H ILE 37 H ILE 37 50.681 -0.291 -0.701 251 HA ILE 37 HA ILE 37 52.898 -1.810 0.167 252 HB ILE 37 HB ILE 37 51.155 -2.118 -2.272 253 1HG1 ILE 37 2HG1 ILE 37 50.993 -3.314 0.479 254 2HG1 ILE 37 1HG1 ILE 37 49.870 -2.164 -0.233 255 1HG2 ILE 37 1HG2 ILE 37 53.530 -3.488 -1.568 256 2HG2 ILE 37 3HG2 ILE 37 52.181 -4.592 -1.296 257 3HG2 ILE 37 2HG2 ILE 37 52.409 -3.853 -2.883 258 1HD1 ILE 37 3HD1 ILE 37 49.755 -4.087 -2.105 259 2HD1 ILE 37 2HD1 ILE 37 50.157 -5.082 -0.704 260 3HD1 ILE 37 1HD1 ILE 37 48.705 -4.078 -0.687 261 H GLY 38 H GLY 38 52.325 0.199 -2.666 262 1HA GLY 38 2HA GLY 38 54.540 -0.432 -4.228 263 2HA GLY 38 1HA GLY 38 53.754 1.148 -4.190 264 H ILE 39 H ILE 39 54.263 2.374 -2.077 265 HA ILE 39 HA ILE 39 56.966 3.079 -2.125 266 HB ILE 39 HB ILE 39 54.951 3.520 0.075 267 1HG1 ILE 39 2HG1 ILE 39 55.531 5.741 -1.728 268 2HG1 ILE 39 1HG1 ILE 39 54.807 4.366 -2.552 269 1HG2 ILE 39 3HG2 ILE 39 57.717 4.356 -0.318 270 2HG2 ILE 39 2HG2 ILE 39 56.611 5.694 -0.004 271 3HG2 ILE 39 1HG2 ILE 39 56.726 4.357 1.141 272 1HD1 ILE 39 2HD1 ILE 39 53.414 4.758 -0.096 273 2HD1 ILE 39 1HD1 ILE 39 53.526 6.314 -0.923 274 3HD1 ILE 39 3HD1 ILE 39 52.801 4.929 -1.744 275 H LYS 40 H LYS 40 55.175 1.025 0.169 276 HA LYS 40 HA LYS 40 57.176 0.543 2.017 277 1HB LYS 40 2HB LYS 40 54.661 -0.231 1.853 278 2HB LYS 40 1HB LYS 40 55.386 -1.681 1.167 279 1HG LYS 40 2HG LYS 40 55.644 -2.351 3.293 280 2HG LYS 40 1HG LYS 40 56.963 -1.183 3.370 281 1HD LYS 40 2HD LYS 40 54.157 -0.274 3.856 282 2HD LYS 40 1HD LYS 40 55.019 -1.114 5.142 283 1HE LYS 40 2HE LYS 40 55.670 1.527 3.837 284 2HE LYS 40 1HE LYS 40 55.441 1.173 5.549 285 1HZ LYS 40 2HZ LYS 40 57.488 -0.365 5.156 286 2HZ LYS 40 1HZ LYS 40 57.781 0.690 3.857 287 3HZ LYS 40 3HZ LYS 40 57.692 1.297 5.437 288 H LEU 41 H LEU 41 56.560 -0.988 -1.102 289 HA LEU 41 HA LEU 41 58.491 -3.041 -0.904 290 1HB LEU 41 2HB LEU 41 57.076 -1.680 -3.165 291 2HB LEU 41 1HB LEU 41 58.382 -2.807 -3.509 292 HG LEU 41 HG LEU 41 55.870 -3.387 -1.933 293 1HD1 LEU 41 3HD1 LEU 41 55.670 -3.177 -4.437 294 2HD1 LEU 41 2HD1 LEU 41 56.735 -4.579 -4.560 295 3HD1 LEU 41 1HD1 LEU 41 55.168 -4.728 -3.762 296 1HD2 LEU 41 2HD2 LEU 41 58.405 -4.893 -2.230 297 2HD2 LEU 41 1HD2 LEU 41 57.220 -4.908 -0.922 298 3HD2 LEU 41 3HD2 LEU 41 56.916 -5.821 -2.400 299 H PHE 42 H PHE 42 58.622 0.165 -2.435 300 HA PHE 42 HA PHE 42 61.140 0.240 -3.477 301 1HB PHE 42 2HB PHE 42 59.360 2.079 -3.345 302 2HB PHE 42 1HB PHE 42 60.103 2.511 -1.812 303 HD1 PHE 42 HD2 PHE 42 62.571 3.092 -1.795 304 HD2 PHE 42 HD1 PHE 42 60.273 2.792 -5.381 305 HE1 PHE 42 HE2 PHE 42 64.275 4.405 -2.998 306 HE2 PHE 42 HE1 PHE 42 61.979 4.104 -6.584 307 HZ PHE 42 HZ PHE 42 63.980 4.910 -5.392 308 H LYS 43 H LYS 43 60.251 0.363 -0.092 309 HA LYS 43 HA LYS 43 62.945 0.960 0.783 310 1HB LYS 43 2HB LYS 43 60.490 0.195 2.354 311 2HB LYS 43 1HB LYS 43 62.002 0.775 3.049 312 1HG LYS 43 2HG LYS 43 60.736 2.444 0.922 313 2HG LYS 43 1HG LYS 43 59.946 2.410 2.484 314 1HD LYS 43 2HD LYS 43 61.548 3.649 3.493 315 2HD LYS 43 1HD LYS 43 62.858 2.880 2.608 316 1HE LYS 43 2HE LYS 43 62.139 5.427 2.203 317 2HE LYS 43 1HE LYS 43 62.806 4.421 0.922 318 1HZ LYS 43 2HZ LYS 43 59.901 4.448 1.375 319 2HZ LYS 43 1HZ LYS 43 60.624 5.746 0.551 320 3HZ LYS 43 3HZ LYS 43 60.765 4.170 -0.061 321 H LYS 44 H LYS 44 60.691 -1.756 1.338 322 HA LYS 44 HA LYS 44 62.431 -3.490 2.584 323 1HB LYS 44 2HB LYS 44 59.836 -3.624 1.777 324 2HB LYS 44 1HB LYS 44 60.570 -4.727 0.635 325 1HG LYS 44 2HG LYS 44 61.520 -5.368 3.281 326 2HG LYS 44 1HG LYS 44 59.759 -5.260 3.274 327 1HD LYS 44 2HD LYS 44 60.570 -7.577 2.697 328 2HD LYS 44 1HD LYS 44 59.663 -6.847 1.360 329 1HE LYS 44 2HE LYS 44 61.701 -7.990 0.557 330 2HE LYS 44 1HE LYS 44 61.804 -6.254 0.249 331 1HZ LYS 44 2HZ LYS 44 62.883 -6.613 2.749 332 2HZ LYS 44 1HZ LYS 44 63.470 -7.924 1.845 333 3HZ LYS 44 3HZ LYS 44 63.736 -6.338 1.307 334 H PHE 45 H PHE 45 62.149 -2.757 -0.848 335 HA PHE 45 HA PHE 45 63.576 -4.827 -2.039 336 1HB PHE 45 2HB PHE 45 63.192 -1.931 -2.613 337 2HB PHE 45 1HB PHE 45 64.527 -2.745 -3.397 338 HD1 PHE 45 HD2 PHE 45 61.030 -3.802 -2.613 339 HD2 PHE 45 HD1 PHE 45 63.975 -3.191 -5.664 340 HE1 PHE 45 HE2 PHE 45 59.479 -4.685 -4.297 341 HE2 PHE 45 HE1 PHE 45 62.410 -4.074 -7.332 342 HZ PHE 45 HZ PHE 45 60.165 -4.821 -6.655 343 H THR 46 H THR 46 64.778 -2.000 -0.295 344 HA THR 46 HA THR 46 67.536 -2.650 -0.778 345 HB THR 46 HB THR 46 67.978 -0.758 0.678 346 HG1 THR 46 HG1 THR 46 65.176 -0.609 1.068 347 1HG2 THR 46 3HG2 THR 46 66.494 -0.685 -1.731 348 2HG2 THR 46 2HG2 THR 46 65.860 0.588 -0.683 349 3HG2 THR 46 1HG2 THR 46 67.578 0.548 -1.082 350 H SER 47 H SER 47 65.146 -3.414 1.607 351 HA SER 47 HA SER 47 67.136 -4.319 3.549 352 1HB SER 47 2HB SER 47 64.119 -4.259 3.612 353 2HB SER 47 1HB SER 47 65.123 -4.876 4.918 354 HG SER 47 HG SER 47 64.943 -2.227 3.909 355 H LYS 48 H LYS 48 66.462 -5.596 0.800 356 HA LYS 48 HA LYS 48 65.235 -8.043 1.070 357 1HB LYS 48 2HB LYS 48 67.340 -6.935 -0.708 358 2HB LYS 48 1HB LYS 48 67.167 -8.687 -0.680 359 1HG LYS 48 2HG LYS 48 64.759 -6.920 -1.063 360 2HG LYS 48 1HG LYS 48 65.813 -7.305 -2.416 361 1HD LYS 48 2HD LYS 48 65.253 -9.726 -1.005 362 2HD LYS 48 1HD LYS 48 63.730 -8.892 -1.312 363 1HE LYS 48 2HE LYS 48 64.304 -10.405 -3.156 364 2HE LYS 48 1HE LYS 48 64.287 -8.727 -3.690 365 1HZ LYS 48 2HZ LYS 48 66.861 -9.479 -2.758 366 2HZ LYS 48 1HZ LYS 48 66.335 -10.536 -3.979 367 3HZ LYS 48 3HZ LYS 48 66.403 -8.867 -4.274 368 H ALA 49 H ALA 49 68.754 -7.489 1.272 369 HA ALA 49 HA ALA 49 70.379 -8.518 2.514 370 1HB ALA 49 1HB ALA 49 68.563 -8.195 4.330 371 2HB ALA 49 3HB ALA 49 68.258 -9.919 4.112 372 3HB ALA 49 2HB ALA 49 69.851 -9.364 4.629 373 H SER 50 H SER 50 71.558 -10.141 1.768 374 HA SER 50 HA SER 50 70.621 -12.156 0.087 375 1HB SER 50 2HB SER 50 72.996 -11.360 0.321 376 2HB SER 50 1HB SER 50 73.105 -12.315 1.795 377 HG SER 50 HG SER 50 72.333 -13.382 -0.731 No H/Q in entry = 377 Start of MODEL 4 1 1H ALA 1 2H ALA 1 60.462 7.885 21.701 2 2H ALA 1 1H ALA 1 61.567 9.169 21.580 3 3H ALA 1 3H ALA 1 61.466 8.272 23.015 4 HA ALA 1 HA ALA 1 59.733 9.401 23.788 5 1HB ALA 1 2HB ALA 1 60.523 11.243 21.508 6 2HB ALA 1 1HB ALA 1 59.560 11.719 22.909 7 3HB ALA 1 3HB ALA 1 61.244 11.225 23.119 8 H GLU 2 H GLU 2 57.555 9.570 23.711 9 HA GLU 2 HA GLU 2 55.403 9.406 22.935 10 1HB GLU 2 2HB GLU 2 56.699 10.959 21.056 11 2HB GLU 2 1HB GLU 2 55.978 9.674 20.089 12 1HG GLU 2 2HG GLU 2 54.276 11.266 20.168 13 2HG GLU 2 1HG GLU 2 53.832 10.168 21.475 14 H GLY 3 H GLY 3 54.465 7.487 22.919 15 1HA GLY 3 2HA GLY 3 54.988 5.589 20.793 16 2HA GLY 3 1HA GLY 3 55.367 5.046 22.421 17 H ASP 4 H ASP 4 52.773 7.265 22.002 18 HA ASP 4 HA ASP 4 50.737 5.165 21.956 19 1HB ASP 4 2HB ASP 4 51.536 5.951 24.376 20 2HB ASP 4 1HB ASP 4 50.404 7.262 24.040 21 H ASP 5 H ASP 5 50.466 6.162 19.840 22 HA ASP 5 HA ASP 5 49.920 8.769 19.208 23 1HB ASP 5 2HB ASP 5 50.017 6.968 17.555 24 2HB ASP 5 1HB ASP 5 48.489 6.324 18.157 25 HA PRO 6 HA PRO 6 46.178 9.205 21.730 26 1HB PRO 6 2HB PRO 6 46.551 11.810 22.339 27 2HB PRO 6 1HB PRO 6 47.346 10.488 23.206 28 1HG PRO 6 2HG PRO 6 48.480 12.434 21.334 29 2HG PRO 6 1HG PRO 6 49.291 11.430 22.546 30 1HD PRO 6 2HD PRO 6 49.122 10.994 19.716 31 2HD PRO 6 1HD PRO 6 49.940 9.996 20.933 32 H ALA 7 H ALA 7 46.781 9.939 18.683 33 HA ALA 7 HA ALA 7 44.775 12.033 18.312 34 1HB ALA 7 2HB ALA 7 46.862 12.173 17.032 35 2HB ALA 7 1HB ALA 7 46.521 10.602 16.301 36 3HB ALA 7 3HB ALA 7 45.472 11.980 15.962 37 H LYS 8 H LYS 8 44.201 9.174 19.184 38 HA LYS 8 HA LYS 8 42.918 7.784 17.093 39 1HB LYS 8 2HB LYS 8 42.700 7.752 20.088 40 2HB LYS 8 1HB LYS 8 41.595 6.806 19.098 41 1HG LYS 8 2HG LYS 8 44.622 6.607 19.144 42 2HG LYS 8 1HG LYS 8 43.496 5.393 19.750 43 1HD LYS 8 2HD LYS 8 44.122 6.159 16.900 44 2HD LYS 8 1HD LYS 8 44.136 4.566 17.643 45 1HE LYS 8 2HE LYS 8 41.714 6.214 16.862 46 2HE LYS 8 1HE LYS 8 42.232 4.672 16.183 47 1HZ LYS 8 1HZ LYS 8 41.611 4.865 19.055 48 2HZ LYS 8 3HZ LYS 8 40.352 4.731 17.928 49 3HZ LYS 8 2HZ LYS 8 41.537 3.518 18.024 50 H ALA 9 H ALA 9 41.944 10.437 19.125 51 HA ALA 9 HA ALA 9 39.162 10.324 18.836 52 1HB ALA 9 1HB ALA 9 40.960 12.039 20.031 53 2HB ALA 9 3HB ALA 9 40.260 13.032 18.751 54 3HB ALA 9 2HB ALA 9 39.212 12.275 19.954 55 H ALA 10 H ALA 10 41.635 11.834 16.796 56 HA ALA 10 HA ALA 10 39.993 13.096 14.933 57 1HB ALA 10 1HB ALA 10 42.743 12.539 15.215 58 2HB ALA 10 3HB ALA 10 42.274 11.948 13.619 59 3HB ALA 10 2HB ALA 10 41.977 13.632 14.060 60 H PHE 11 H PHE 11 41.141 9.753 15.049 61 HA PHE 11 HA PHE 11 40.018 8.971 12.544 62 1HB PHE 11 2HB PHE 11 41.870 7.776 13.667 63 2HB PHE 11 1HB PHE 11 40.760 7.274 14.928 64 HD1 PHE 11 HD2 PHE 11 41.254 7.123 11.229 65 HD2 PHE 11 HD1 PHE 11 39.564 5.240 14.688 66 HE1 PHE 11 HE2 PHE 11 40.630 5.167 9.874 67 HE2 PHE 11 HE1 PHE 11 38.947 3.297 13.318 68 HZ PHE 11 HZ PHE 11 39.478 3.256 10.914 69 H ASN 12 H ASN 12 38.983 8.625 15.913 70 HA ASN 12 HA ASN 12 36.568 7.240 15.354 71 1HB ASN 12 2HB ASN 12 37.907 7.577 17.589 72 2HB ASN 12 1HB ASN 12 36.858 8.985 17.762 73 1HD2 ASN 12 2HD2 ASN 12 35.296 5.903 19.258 74 2HD2 ASN 12 1HD2 ASN 12 36.848 6.646 19.415 75 H SER 13 H SER 13 37.360 10.659 15.740 76 HA SER 13 HA SER 13 34.762 11.715 15.804 77 1HB SER 13 2HB SER 13 37.180 12.837 15.999 78 2HB SER 13 1HB SER 13 36.847 13.212 14.307 79 HG SER 13 HG SER 13 35.806 14.326 16.549 80 H LEU 14 H LEU 14 36.670 10.478 13.177 81 HA LEU 14 HA LEU 14 35.163 11.666 11.069 82 1HB LEU 14 2HB LEU 14 37.420 10.947 10.649 83 2HB LEU 14 1HB LEU 14 37.035 9.305 11.150 84 HG LEU 14 HG LEU 14 35.495 9.063 9.255 85 1HD1 LEU 14 3HD1 LEU 14 36.265 11.921 8.708 86 2HD1 LEU 14 2HD1 LEU 14 35.723 10.862 7.408 87 3HD1 LEU 14 1HD1 LEU 14 34.656 11.194 8.772 88 1HD2 LEU 14 1HD2 LEU 14 38.323 9.889 8.586 89 2HD2 LEU 14 3HD2 LEU 14 37.674 8.257 8.774 90 3HD2 LEU 14 2HD2 LEU 14 37.216 9.236 7.379 91 H GLN 15 H GLN 15 35.038 8.582 12.772 92 HA GLN 15 HA GLN 15 33.011 7.449 11.081 93 1HB GLN 15 2HB GLN 15 34.634 6.075 12.320 94 2HB GLN 15 1HB GLN 15 33.929 6.623 13.837 95 1HG GLN 15 2HG GLN 15 31.696 5.720 12.796 96 2HG GLN 15 1HG GLN 15 32.779 4.782 11.768 97 1HE2 GLN 15 2HD2 GLN 15 33.590 2.478 14.228 98 2HE2 GLN 15 1HD2 GLN 15 33.701 2.992 12.584 99 H ALA 16 H ALA 16 33.072 9.298 14.043 100 HA ALA 16 HA ALA 16 30.243 8.856 14.577 101 1HB ALA 16 1HB ALA 16 32.021 9.053 16.370 102 2HB ALA 16 3HB ALA 16 32.088 10.774 15.986 103 3HB ALA 16 2HB ALA 16 30.590 10.063 16.590 104 H SER 17 H SER 17 31.432 10.449 12.180 105 HA SER 17 HA SER 17 29.551 12.695 12.441 106 1HB SER 17 2HB SER 17 32.459 12.818 11.986 107 2HB SER 17 1HB SER 17 31.491 13.790 10.884 108 HG SER 17 HG SER 17 30.580 14.826 12.678 109 H ALA 18 H ALA 18 31.719 11.031 10.157 110 HA ALA 18 HA ALA 18 29.716 11.386 8.035 111 1HB ALA 18 2HB ALA 18 32.643 10.678 7.992 112 2HB ALA 18 1HB ALA 18 31.609 10.574 6.566 113 3HB ALA 18 3HB ALA 18 31.867 12.130 7.356 114 H THR 19 H THR 19 28.580 9.693 9.482 115 HA THR 19 HA THR 19 29.452 6.987 9.379 116 HB THR 19 HB THR 19 27.031 6.498 9.962 117 HG1 THR 19 HG1 THR 19 25.642 8.087 9.954 118 1HG2 THR 19 2HG2 THR 19 28.795 8.296 11.604 119 2HG2 THR 19 1HG2 THR 19 27.201 7.834 12.197 120 3HG2 THR 19 3HG2 THR 19 28.403 6.591 11.849 121 H GLU 20 H GLU 20 28.168 9.004 7.007 122 HA GLU 20 HA GLU 20 26.834 6.937 5.486 123 1HB GLU 20 2HB GLU 20 26.912 9.764 5.509 124 2HB GLU 20 1HB GLU 20 27.480 9.247 3.928 125 1HG GLU 20 2HG GLU 20 24.996 9.599 4.066 126 2HG GLU 20 1HG GLU 20 25.472 7.988 3.530 127 H TYR 21 H TYR 21 29.975 7.482 6.143 128 HA TYR 21 HA TYR 21 30.965 6.838 3.443 129 1HB TYR 21 2HB TYR 21 32.094 8.199 5.822 130 2HB TYR 21 1HB TYR 21 33.189 7.270 4.808 131 HD1 TYR 21 HD1 TYR 21 30.678 9.996 4.782 132 HD2 TYR 21 HD2 TYR 21 33.960 8.183 2.723 133 HE1 TYR 21 HE1 TYR 21 30.749 11.892 3.210 134 HE2 TYR 21 HE2 TYR 21 34.021 10.084 1.163 135 HH TYR 21 HH TYR 21 32.068 12.940 1.646 136 H ILE 22 H ILE 22 29.805 4.999 5.693 137 HA ILE 22 HA ILE 22 32.099 3.367 6.314 138 HB ILE 22 HB ILE 22 29.144 3.109 6.834 139 1HG1 ILE 22 2HG1 ILE 22 30.629 4.692 8.189 140 2HG1 ILE 22 1HG1 ILE 22 29.625 3.548 9.096 141 1HG2 ILE 22 2HG2 ILE 22 30.132 0.840 6.408 142 2HG2 ILE 22 1HG2 ILE 22 31.259 1.128 7.733 143 3HG2 ILE 22 3HG2 ILE 22 29.525 1.028 8.051 144 1HD1 ILE 22 3HD1 ILE 22 32.044 2.186 8.713 145 2HD1 ILE 22 2HD1 ILE 22 32.513 3.845 9.090 146 3HD1 ILE 22 1HD1 ILE 22 31.474 2.949 10.195 147 H GLY 23 H GLY 23 29.298 3.096 4.155 148 1HA GLY 23 2HA GLY 23 30.299 0.559 3.113 149 2HA GLY 23 1HA GLY 23 28.775 1.332 2.689 150 H TYR 24 H TYR 24 31.136 3.676 2.465 151 HA TYR 24 HA TYR 24 31.632 3.036 -0.374 152 1HB TYR 24 2HB TYR 24 31.371 5.867 0.528 153 2HB TYR 24 1HB TYR 24 31.121 5.173 -1.063 154 HD1 TYR 24 HD1 TYR 24 29.242 3.101 -0.817 155 HD2 TYR 24 HD2 TYR 24 29.373 6.764 1.387 156 HE1 TYR 24 HE1 TYR 24 26.823 2.942 -0.390 157 HE2 TYR 24 HE2 TYR 24 26.962 6.590 1.807 158 HH TYR 24 HH TYR 24 25.112 3.756 0.867 159 H ALA 25 H ALA 25 32.869 4.732 2.499 160 HA ALA 25 HA ALA 25 35.317 5.550 1.334 161 1HB ALA 25 1HB ALA 25 34.280 6.396 3.489 162 2HB ALA 25 3HB ALA 25 34.888 4.926 4.251 163 3HB ALA 25 2HB ALA 25 36.015 6.081 3.538 164 H TRP 26 H TRP 26 34.181 2.478 2.319 165 HA TRP 26 HA TRP 26 36.744 1.329 2.938 166 1HB TRP 26 2HB TRP 26 33.975 0.502 2.998 167 2HB TRP 26 1HB TRP 26 34.982 -0.728 2.249 168 HD1 TRP 26 1HD TRP 26 34.348 1.004 5.603 169 HE1 TRP 26 1HE TRP 26 35.605 -0.278 7.419 170 HE3 TRP 26 3HE TRP 26 37.078 -2.207 2.699 171 HZ2 TRP 26 2HZ TRP 26 37.485 -2.349 7.640 172 HZ3 TRP 26 3HZ TRP 26 38.594 -3.816 3.781 173 HH2 TRP 26 HH2 TRP 26 38.798 -3.889 6.230 174 H ALA 27 H ALA 27 34.774 1.760 0.097 175 HA ALA 27 HA ALA 27 36.087 -0.155 -1.561 176 1HB ALA 27 1HB ALA 27 34.028 1.875 -1.842 177 2HB ALA 27 3HB ALA 27 35.108 1.839 -3.237 178 3HB ALA 27 2HB ALA 27 34.256 0.374 -2.742 179 H MET 28 H MET 28 36.819 3.067 -0.532 180 HA MET 28 HA MET 28 38.774 3.564 -2.613 181 1HB MET 28 2HB MET 28 37.515 5.077 -0.445 182 2HB MET 28 1HB MET 28 39.228 5.408 -0.607 183 1HG MET 28 2HG MET 28 37.095 5.722 -2.727 184 2HG MET 28 1HG MET 28 38.011 6.994 -1.939 185 1HE MET 28 3HE MET 28 39.641 8.057 -2.648 186 2HE MET 28 2HE MET 28 41.156 7.161 -2.772 187 3HE MET 28 1HE MET 28 40.452 7.894 -4.213 188 H VAL 29 H VAL 29 38.728 2.594 0.772 189 HA VAL 29 HA VAL 29 41.448 2.805 1.355 190 HB VAL 29 HB VAL 29 39.349 0.879 2.344 191 1HG1 VAL 29 2HG1 VAL 29 41.610 -0.033 2.697 192 2HG1 VAL 29 1HG1 VAL 29 42.059 1.449 3.542 193 3HG1 VAL 29 3HG1 VAL 29 40.815 0.393 4.214 194 1HG2 VAL 29 2HG2 VAL 29 39.251 3.471 2.695 195 2HG2 VAL 29 1HG2 VAL 29 38.915 2.383 4.044 196 3HG2 VAL 29 3HG2 VAL 29 40.495 3.155 3.906 197 H VAL 30 H VAL 30 39.640 0.324 -0.360 198 HA VAL 30 HA VAL 30 41.639 -1.663 -0.422 199 HB VAL 30 HB VAL 30 39.357 -1.066 -2.301 200 1HG1 VAL 30 3HG1 VAL 30 41.464 -3.063 -2.385 201 2HG1 VAL 30 2HG1 VAL 30 39.848 -3.770 -2.393 202 3HG1 VAL 30 1HG1 VAL 30 40.302 -2.590 -3.624 203 1HG2 VAL 30 2HG2 VAL 30 38.729 -1.510 0.061 204 2HG2 VAL 30 1HG2 VAL 30 38.133 -2.736 -1.060 205 3HG2 VAL 30 3HG2 VAL 30 39.542 -3.073 -0.052 206 H VAL 31 H VAL 31 40.930 1.113 -2.474 207 HA VAL 31 HA VAL 31 42.845 0.427 -4.487 208 HB VAL 31 HB VAL 31 41.291 2.932 -3.885 209 1HG1 VAL 31 3HG1 VAL 31 43.401 2.394 -5.882 210 2HG1 VAL 31 2HG1 VAL 31 41.966 3.251 -6.450 211 3HG1 VAL 31 1HG1 VAL 31 42.918 3.907 -5.117 212 1HG2 VAL 31 3HG2 VAL 31 40.931 0.631 -5.789 213 2HG2 VAL 31 2HG2 VAL 31 39.791 1.273 -4.602 214 3HG2 VAL 31 1HG2 VAL 31 40.154 2.192 -6.066 215 H ILE 32 H ILE 32 42.982 1.955 -1.434 216 HA ILE 32 HA ILE 32 45.497 3.329 -2.041 217 HB ILE 32 HB ILE 32 43.819 3.286 0.462 218 1HG1 ILE 32 2HG1 ILE 32 44.123 5.318 -1.753 219 2HG1 ILE 32 1HG1 ILE 32 42.673 4.408 -1.338 220 1HG2 ILE 32 1HG2 ILE 32 46.525 4.043 0.094 221 2HG2 ILE 32 3HG2 ILE 32 45.586 5.525 0.292 222 3HG2 ILE 32 2HG2 ILE 32 45.516 4.265 1.525 223 1HD1 ILE 32 3HD1 ILE 32 44.038 6.448 0.433 224 2HD1 ILE 32 2HD1 ILE 32 42.551 6.708 -0.482 225 3HD1 ILE 32 1HD1 ILE 32 42.581 5.541 0.843 226 H VAL 33 H VAL 33 44.286 0.531 -0.302 227 HA VAL 33 HA VAL 33 46.473 0.009 1.349 228 HB VAL 33 HB VAL 33 44.433 -1.777 0.038 229 1HG1 VAL 33 2HG1 VAL 33 46.495 -2.431 2.126 230 2HG1 VAL 33 1HG1 VAL 33 45.076 -3.427 1.800 231 3HG1 VAL 33 3HG1 VAL 33 46.286 -3.178 0.543 232 1HG2 VAL 33 2HG2 VAL 33 44.141 0.091 2.024 233 2HG2 VAL 33 1HG2 VAL 33 43.080 -1.295 1.763 234 3HG2 VAL 33 3HG2 VAL 33 44.393 -1.397 2.938 235 H GLY 34 H GLY 34 45.905 -0.621 -2.057 236 1HA GLY 34 2HA GLY 34 48.132 -2.399 -2.412 237 2HA GLY 34 1HA GLY 34 47.208 -1.608 -3.692 238 H ALA 35 H ALA 35 47.556 1.006 -3.341 239 HA ALA 35 HA ALA 35 49.999 1.656 -4.424 240 1HB ALA 35 3HB ALA 35 47.771 3.068 -3.689 241 2HB ALA 35 2HB ALA 35 48.984 3.698 -2.571 242 3HB ALA 35 1HB ALA 35 49.257 3.787 -4.312 243 H THR 36 H THR 36 49.150 1.136 -1.094 244 HA THR 36 HA THR 36 51.454 2.217 0.156 245 HB THR 36 HB THR 36 49.508 0.055 0.964 246 HG1 THR 36 HG1 THR 36 48.789 1.798 2.348 247 1HG2 THR 36 1HG2 THR 36 51.819 1.252 2.457 248 2HG2 THR 36 3HG2 THR 36 50.404 0.632 3.310 249 3HG2 THR 36 2HG2 THR 36 51.361 -0.446 2.290 250 H ILE 37 H ILE 37 50.628 -1.009 -1.044 251 HA ILE 37 HA ILE 37 52.968 -2.343 -0.217 252 HB ILE 37 HB ILE 37 51.086 -2.858 -2.512 253 1HG1 ILE 37 2HG1 ILE 37 51.284 -3.983 0.265 254 2HG1 ILE 37 1HG1 ILE 37 49.995 -2.974 -0.377 255 1HG2 ILE 37 2HG2 ILE 37 53.299 -3.916 -2.882 256 2HG2 ILE 37 1HG2 ILE 37 53.114 -4.759 -1.343 257 3HG2 ILE 37 3HG2 ILE 37 51.993 -5.084 -2.665 258 1HD1 ILE 37 3HD1 ILE 37 49.442 -4.763 -2.002 259 2HD1 ILE 37 2HD1 ILE 37 50.694 -5.777 -1.281 260 3HD1 ILE 37 1HD1 ILE 37 49.282 -5.307 -0.331 261 H GLY 38 H GLY 38 52.300 -0.207 -2.867 262 1HA GLY 38 2HA GLY 38 54.482 -0.902 -4.553 263 2HA GLY 38 1HA GLY 38 53.582 0.613 -4.587 264 H ILE 39 H ILE 39 54.021 1.903 -2.436 265 HA ILE 39 HA ILE 39 56.654 2.855 -2.611 266 HB ILE 39 HB ILE 39 54.661 3.205 -0.379 267 1HG1 ILE 39 2HG1 ILE 39 55.007 5.385 -2.299 268 2HG1 ILE 39 1HG1 ILE 39 54.363 3.919 -3.024 269 1HG2 ILE 39 1HG2 ILE 39 57.302 3.919 -0.425 270 2HG2 ILE 39 3HG2 ILE 39 56.501 5.380 -0.996 271 3HG2 ILE 39 2HG2 ILE 39 56.050 4.680 0.559 272 1HD1 ILE 39 1HD1 ILE 39 53.156 4.707 -0.442 273 2HD1 ILE 39 3HD1 ILE 39 52.825 5.776 -1.807 274 3HD1 ILE 39 2HD1 ILE 39 52.392 4.067 -1.899 275 H LYS 40 H LYS 40 55.110 0.702 -0.242 276 HA LYS 40 HA LYS 40 57.191 0.493 1.584 277 1HB LYS 40 2HB LYS 40 54.739 -0.491 1.514 278 2HB LYS 40 1HB LYS 40 55.575 -1.911 0.899 279 1HG LYS 40 2HG LYS 40 55.960 -2.437 3.041 280 2HG LYS 40 1HG LYS 40 57.120 -1.111 3.056 281 1HD LYS 40 2HD LYS 40 54.224 -0.534 3.506 282 2HD LYS 40 1HD LYS 40 55.171 -1.209 4.827 283 1HE LYS 40 2HE LYS 40 55.486 1.440 3.425 284 2HE LYS 40 1HE LYS 40 55.331 1.118 5.152 285 1HZ LYS 40 2HZ LYS 40 57.545 -0.117 4.854 286 2HZ LYS 40 1HZ LYS 40 57.686 0.786 3.422 287 3HZ LYS 40 3HZ LYS 40 57.553 1.581 4.913 288 H LEU 41 H LEU 41 56.608 -1.273 -1.419 289 HA LEU 41 HA LEU 41 58.593 -3.215 -1.230 290 1HB LEU 41 2HB LEU 41 57.197 -1.839 -3.470 291 2HB LEU 41 1HB LEU 41 58.610 -2.812 -3.856 292 HG LEU 41 HG LEU 41 56.124 -3.731 -2.403 293 1HD1 LEU 41 3HD1 LEU 41 57.005 -3.805 -5.202 294 2HD1 LEU 41 2HD1 LEU 41 56.418 -5.346 -4.576 295 3HD1 LEU 41 1HD1 LEU 41 55.383 -3.917 -4.518 296 1HD2 LEU 41 3HD2 LEU 41 58.807 -4.941 -2.648 297 2HD2 LEU 41 2HD2 LEU 41 57.544 -5.208 -1.444 298 3HD2 LEU 41 1HD2 LEU 41 57.454 -6.012 -3.011 299 H PHE 42 H PHE 42 58.845 0.186 -1.831 300 HA PHE 42 HA PHE 42 61.530 0.091 -2.895 301 1HB PHE 42 2HB PHE 42 59.991 1.857 -3.564 302 2HB PHE 42 1HB PHE 42 59.848 2.389 -1.895 303 HD1 PHE 42 HD2 PHE 42 62.236 2.004 -4.708 304 HD2 PHE 42 HD1 PHE 42 61.395 3.907 -0.980 305 HE1 PHE 42 HE2 PHE 42 64.161 3.506 -5.040 306 HE2 PHE 42 HE1 PHE 42 63.321 5.409 -1.313 307 HZ PHE 42 HZ PHE 42 64.704 5.208 -3.344 308 H LYS 43 H LYS 43 60.068 1.320 0.113 309 HA LYS 43 HA LYS 43 62.451 1.948 1.435 310 1HB LYS 43 2HB LYS 43 59.714 1.232 2.434 311 2HB LYS 43 1HB LYS 43 61.011 1.817 3.481 312 1HG LYS 43 2HG LYS 43 60.707 3.420 1.065 313 2HG LYS 43 1HG LYS 43 59.237 3.368 2.014 314 1HD LYS 43 2HD LYS 43 60.432 4.155 4.004 315 2HD LYS 43 1HD LYS 43 61.953 4.123 3.119 316 1HE LYS 43 2HE LYS 43 59.862 6.169 3.190 317 2HE LYS 43 1HE LYS 43 61.561 6.303 2.739 318 1HZ LYS 43 1HZ LYS 43 60.946 5.301 0.568 319 2HZ LYS 43 3HZ LYS 43 59.314 5.404 1.018 320 3HZ LYS 43 2HZ LYS 43 60.239 6.819 0.851 321 H LYS 44 H LYS 44 61.082 -1.123 0.744 322 HA LYS 44 HA LYS 44 62.264 -2.486 3.005 323 1HB LYS 44 2HB LYS 44 60.172 -3.034 1.279 324 2HB LYS 44 1HB LYS 44 61.424 -4.144 0.742 325 1HG LYS 44 2HG LYS 44 60.525 -3.927 3.627 326 2HG LYS 44 1HG LYS 44 59.837 -5.052 2.467 327 1HD LYS 44 2HD LYS 44 62.589 -5.430 2.193 328 2HD LYS 44 1HD LYS 44 62.374 -5.222 3.930 329 1HE LYS 44 2HE LYS 44 62.202 -7.629 2.909 330 2HE LYS 44 1HE LYS 44 61.068 -7.129 4.161 331 1HZ LYS 44 1HZ LYS 44 60.335 -6.641 1.368 332 2HZ LYS 44 3HZ LYS 44 60.279 -8.239 1.933 333 3HZ LYS 44 2HZ LYS 44 59.354 -7.037 2.698 334 H PHE 45 H PHE 45 62.895 -2.215 -0.476 335 HA PHE 45 HA PHE 45 65.194 -3.947 -0.426 336 1HB PHE 45 2HB PHE 45 63.807 -2.229 -2.413 337 2HB PHE 45 1HB PHE 45 65.489 -2.615 -2.706 338 HD1 PHE 45 HD2 PHE 45 66.210 -5.039 -2.843 339 HD2 PHE 45 HD1 PHE 45 62.084 -3.868 -2.794 340 HE1 PHE 45 HE2 PHE 45 65.563 -7.237 -3.730 341 HE2 PHE 45 HE1 PHE 45 61.460 -6.073 -3.679 342 HZ PHE 45 HZ PHE 45 63.194 -7.757 -4.148 343 H THR 46 H THR 46 64.599 -0.521 -0.119 344 HA THR 46 HA THR 46 67.387 0.182 -0.396 345 HB THR 46 HB THR 46 66.614 2.433 -0.062 346 HG1 THR 46 HG1 THR 46 64.022 1.403 0.395 347 1HG2 THR 46 1HG2 THR 46 65.661 0.678 -2.083 348 2HG2 THR 46 3HG2 THR 46 64.372 1.826 -1.709 349 3HG2 THR 46 2HG2 THR 46 65.965 2.414 -2.195 350 H SER 47 H SER 47 65.435 -0.985 2.114 351 HA SER 47 HA SER 47 66.823 0.413 4.253 352 1HB SER 47 2HB SER 47 64.603 -1.584 4.099 353 2HB SER 47 1HB SER 47 65.471 -1.371 5.616 354 HG SER 47 HG SER 47 65.012 0.983 5.214 355 H LYS 48 H LYS 48 66.802 -2.732 2.697 356 HA LYS 48 HA LYS 48 68.223 -4.323 4.395 357 1HB LYS 48 2HB LYS 48 68.487 -4.104 1.398 358 2HB LYS 48 1HB LYS 48 69.121 -5.437 2.358 359 1HG LYS 48 2HG LYS 48 66.279 -4.816 2.835 360 2HG LYS 48 1HG LYS 48 66.646 -5.393 1.212 361 1HD LYS 48 2HD LYS 48 67.643 -7.401 2.075 362 2HD LYS 48 1HD LYS 48 67.553 -6.797 3.728 363 1HE LYS 48 2HE LYS 48 65.213 -7.478 1.938 364 2HE LYS 48 1HE LYS 48 65.771 -8.409 3.325 365 1HZ LYS 48 3HZ LYS 48 65.381 -6.233 4.599 366 2HZ LYS 48 2HZ LYS 48 64.421 -5.791 3.269 367 3HZ LYS 48 1HZ LYS 48 64.037 -7.176 4.175 368 H ALA 49 H ALA 49 69.427 -1.684 2.440 369 HA ALA 49 HA ALA 49 72.075 -2.005 2.230 370 1HB ALA 49 1HB ALA 49 70.552 0.445 3.076 371 2HB ALA 49 3HB ALA 49 72.284 0.481 2.739 372 3HB ALA 49 2HB ALA 49 71.146 0.025 1.468 373 H SER 50 H SER 50 70.679 -0.485 5.139 374 HA SER 50 HA SER 50 73.055 -0.572 6.652 375 1HB SER 50 2HB SER 50 70.365 -0.645 7.951 376 2HB SER 50 1HB SER 50 71.798 0.272 8.403 377 HG SER 50 HG SER 50 71.306 1.775 6.925 No H/Q in entry = 377 Start of MODEL 5 1 1H ALA 1 2H ALA 1 27.573 -18.310 21.518 2 2H ALA 1 1H ALA 1 26.814 -19.816 21.718 3 3H ALA 1 3H ALA 1 28.417 -19.742 21.165 4 HA ALA 1 HA ALA 1 27.853 -19.275 19.067 5 1HB ALA 1 3HB ALA 1 25.296 -20.429 20.215 6 2HB ALA 1 2HB ALA 1 25.563 -20.216 18.484 7 3HB ALA 1 1HB ALA 1 26.600 -21.306 19.411 8 H GLU 2 H GLU 2 27.181 -17.708 17.713 9 HA GLU 2 HA GLU 2 26.353 -15.243 18.596 10 1HB GLU 2 2HB GLU 2 26.358 -16.607 15.956 11 2HB GLU 2 1HB GLU 2 25.453 -15.101 16.098 12 1HG GLU 2 2HG GLU 2 27.391 -13.883 16.734 13 2HG GLU 2 1HG GLU 2 28.315 -15.360 17.014 14 H GLY 3 H GLY 3 24.550 -14.734 19.650 15 1HA GLY 3 2HA GLY 3 22.129 -16.250 19.455 16 2HA GLY 3 1HA GLY 3 22.363 -14.768 20.379 17 H ASP 4 H ASP 4 20.149 -15.607 18.590 18 HA ASP 4 HA ASP 4 20.340 -13.794 16.316 19 1HB ASP 4 2HB ASP 4 19.144 -16.175 16.534 20 2HB ASP 4 1HB ASP 4 17.787 -15.144 16.992 21 H ASP 5 H ASP 5 18.225 -14.231 19.128 22 HA ASP 5 HA ASP 5 16.977 -12.756 20.356 23 1HB ASP 5 2HB ASP 5 19.248 -11.554 20.313 24 2HB ASP 5 1HB ASP 5 18.527 -10.518 19.082 25 HA PRO 6 HA PRO 6 13.939 -11.477 17.374 26 1HB PRO 6 2HB PRO 6 11.977 -10.809 19.109 27 2HB PRO 6 1HB PRO 6 12.426 -12.483 18.752 28 1HG PRO 6 2HG PRO 6 12.917 -10.894 21.171 29 2HG PRO 6 1HG PRO 6 12.866 -12.651 20.965 30 1HD PRO 6 2HD PRO 6 15.174 -10.985 21.156 31 2HD PRO 6 1HD PRO 6 15.114 -12.735 20.874 32 H ALA 7 H ALA 7 15.055 -9.400 19.944 33 HA ALA 7 HA ALA 7 13.687 -7.030 19.126 34 1HB ALA 7 2HB ALA 7 15.054 -7.756 21.360 35 2HB ALA 7 1HB ALA 7 16.241 -6.721 20.563 36 3HB ALA 7 3HB ALA 7 14.640 -6.089 20.950 37 H LYS 8 H LYS 8 17.099 -8.036 18.830 38 HA LYS 8 HA LYS 8 17.828 -5.880 17.122 39 1HB LYS 8 2HB LYS 8 19.211 -8.548 17.388 40 2HB LYS 8 1HB LYS 8 19.908 -7.017 16.899 41 1HG LYS 8 2HG LYS 8 19.964 -6.174 19.067 42 2HG LYS 8 1HG LYS 8 18.652 -7.219 19.602 43 1HD LYS 8 2HD LYS 8 21.110 -7.713 20.375 44 2HD LYS 8 1HD LYS 8 20.023 -9.033 19.974 45 1HE LYS 8 2HE LYS 8 22.424 -9.126 19.040 46 2HE LYS 8 1HE LYS 8 21.103 -9.461 17.922 47 1HZ LYS 8 2HZ LYS 8 21.723 -6.679 18.025 48 2HZ LYS 8 1HZ LYS 8 23.089 -7.600 17.612 49 3HZ LYS 8 3HZ LYS 8 21.675 -7.726 16.687 50 H ALA 9 H ALA 9 16.474 -9.030 16.617 51 HA ALA 9 HA ALA 9 17.098 -9.827 14.122 52 1HB ALA 9 1HB ALA 9 15.324 -10.773 15.680 53 2HB ALA 9 3HB ALA 9 14.212 -9.610 14.954 54 3HB ALA 9 2HB ALA 9 14.972 -10.850 13.952 55 H ALA 10 H ALA 10 14.283 -7.676 14.576 56 HA ALA 10 HA ALA 10 14.021 -6.968 11.879 57 1HB ALA 10 3HB ALA 10 12.581 -6.488 14.138 58 2HB ALA 10 2HB ALA 10 13.261 -4.890 13.821 59 3HB ALA 10 1HB ALA 10 12.292 -5.698 12.587 60 H PHE 11 H PHE 11 15.584 -5.169 14.530 61 HA PHE 11 HA PHE 11 16.471 -2.953 13.128 62 1HB PHE 11 2HB PHE 11 16.705 -3.708 15.656 63 2HB PHE 11 1HB PHE 11 18.300 -4.205 15.118 64 HD1 PHE 11 HD1 PHE 11 15.975 -1.283 15.047 65 HD2 PHE 11 HD2 PHE 11 20.050 -2.605 15.078 66 HE1 PHE 11 HE1 PHE 11 16.739 1.046 15.258 67 HE2 PHE 11 HE2 PHE 11 20.795 -0.273 15.290 68 HZ PHE 11 HZ PHE 11 19.145 1.552 15.382 69 H ASN 12 H ASN 12 17.834 -6.188 13.280 70 HA ASN 12 HA ASN 12 20.258 -5.556 11.891 71 1HB ASN 12 2HB ASN 12 19.621 -7.602 13.427 72 2HB ASN 12 1HB ASN 12 19.100 -8.310 11.897 73 1HD2 ASN 12 2HD2 ASN 12 22.314 -9.104 10.889 74 2HD2 ASN 12 1HD2 ASN 12 20.605 -9.317 10.744 75 H SER 13 H SER 13 17.093 -6.808 10.965 76 HA SER 13 HA SER 13 17.609 -7.557 8.328 77 1HB SER 13 2HB SER 13 15.401 -7.617 9.820 78 2HB SER 13 1HB SER 13 15.054 -6.148 8.904 79 HG SER 13 HG SER 13 14.303 -8.115 7.887 80 H LEU 14 H LEU 14 17.288 -4.411 9.765 81 HA LEU 14 HA LEU 14 16.896 -2.995 7.307 82 1HB LEU 14 2HB LEU 14 16.104 -2.044 9.387 83 2HB LEU 14 1HB LEU 14 17.733 -2.082 10.055 84 HG LEU 14 HG LEU 14 18.437 -0.544 8.169 85 1HD1 LEU 14 1HD1 LEU 14 15.444 -0.395 7.747 86 2HD1 LEU 14 3HD1 LEU 14 16.575 0.817 7.146 87 3HD1 LEU 14 2HD1 LEU 14 16.682 -0.845 6.570 88 1HD2 LEU 14 1HD2 LEU 14 16.481 0.356 10.279 89 2HD2 LEU 14 3HD2 LEU 14 18.240 0.530 10.251 90 3HD2 LEU 14 2HD2 LEU 14 17.236 1.503 9.175 91 H GLN 15 H GLN 15 19.629 -3.963 9.263 92 HA GLN 15 HA GLN 15 21.540 -2.349 7.811 93 1HB GLN 15 2HB GLN 15 21.711 -3.019 10.254 94 2HB GLN 15 1HB GLN 15 22.129 -4.632 9.684 95 1HG GLN 15 2HG GLN 15 24.187 -3.490 10.096 96 2HG GLN 15 1HG GLN 15 23.989 -3.561 8.345 97 1HE2 GLN 15 2HD2 GLN 15 24.976 -0.112 9.230 98 2HE2 GLN 15 1HD2 GLN 15 25.661 -1.691 9.372 99 H ALA 16 H ALA 16 20.268 -5.585 7.658 100 HA ALA 16 HA ALA 16 22.368 -6.535 5.885 101 1HB ALA 16 2HB ALA 16 20.364 -7.724 7.541 102 2HB ALA 16 1HB ALA 16 20.164 -8.310 5.888 103 3HB ALA 16 3HB ALA 16 21.714 -8.500 6.711 104 H SER 17 H SER 17 20.106 -4.368 5.312 105 HA SER 17 HA SER 17 19.255 -5.507 2.727 106 1HB SER 17 2HB SER 17 17.674 -4.449 4.645 107 2HB SER 17 1HB SER 17 18.021 -3.007 3.698 108 HG SER 17 HG SER 17 17.443 -4.505 1.837 109 H ALA 18 H ALA 18 20.637 -2.666 4.307 110 HA ALA 18 HA ALA 18 21.239 -1.448 1.707 111 1HB ALA 18 1HB ALA 18 20.261 -0.155 3.676 112 2HB ALA 18 3HB ALA 18 21.853 -0.305 4.420 113 3HB ALA 18 2HB ALA 18 21.674 0.549 2.887 114 H THR 19 H THR 19 22.627 -3.718 1.980 115 HA THR 19 HA THR 19 25.304 -3.037 2.985 116 HB THR 19 HB THR 19 25.811 -5.408 2.653 117 HG1 THR 19 HG1 THR 19 24.562 -5.975 0.936 118 1HG2 THR 19 2HG2 THR 19 23.367 -4.670 4.234 119 2HG2 THR 19 1HG2 THR 19 23.928 -6.341 4.191 120 3HG2 THR 19 3HG2 THR 19 24.987 -5.072 4.811 121 H GLU 20 H GLU 20 24.020 -1.959 0.483 122 HA GLU 20 HA GLU 20 25.780 -3.061 -1.580 123 1HB GLU 20 2HB GLU 20 23.141 -2.015 -1.533 124 2HB GLU 20 1HB GLU 20 24.119 -0.957 -2.540 125 1HG GLU 20 2HG GLU 20 23.043 -2.823 -3.804 126 2HG GLU 20 1HG GLU 20 24.800 -2.808 -3.931 127 H TYR 21 H TYR 21 25.968 -0.739 0.725 128 HA TYR 21 HA TYR 21 27.543 1.091 -0.976 129 1HB TYR 21 2HB TYR 21 25.784 1.520 1.381 130 2HB TYR 21 1HB TYR 21 27.173 2.577 1.181 131 HD1 TYR 21 HD2 TYR 21 27.383 3.966 -0.884 132 HD2 TYR 21 HD1 TYR 21 23.857 1.712 -0.013 133 HE1 TYR 21 HE2 TYR 21 26.118 5.303 -2.518 134 HE2 TYR 21 HE1 TYR 21 22.602 3.056 -1.651 135 HH TYR 21 HH TYR 21 23.718 5.941 -2.915 136 H ILE 22 H ILE 22 27.833 -1.295 1.403 137 HA ILE 22 HA ILE 22 30.163 -0.091 2.654 138 HB ILE 22 HB ILE 22 28.692 -2.680 3.133 139 1HG1 ILE 22 2HG1 ILE 22 27.685 -0.398 3.817 140 2HG1 ILE 22 1HG1 ILE 22 27.739 -1.669 5.050 141 1HG2 ILE 22 2HG2 ILE 22 31.179 -1.615 4.480 142 2HG2 ILE 22 1HG2 ILE 22 30.114 -2.787 5.257 143 3HG2 ILE 22 3HG2 ILE 22 30.924 -3.198 3.745 144 1HD1 ILE 22 1HD1 ILE 22 30.177 -0.250 5.292 145 2HD1 ILE 22 3HD1 ILE 22 28.907 0.962 5.111 146 3HD1 ILE 22 2HD1 ILE 22 28.803 -0.243 6.392 147 H GLY 23 H GLY 23 29.472 -2.968 0.648 148 1HA GLY 23 2HA GLY 23 32.076 -4.004 0.579 149 2HA GLY 23 1HA GLY 23 30.851 -4.252 -0.665 150 H TYR 24 H TYR 24 30.820 -1.155 -0.898 151 HA TYR 24 HA TYR 24 32.917 -1.067 -2.928 152 1HB TYR 24 2HB TYR 24 30.726 0.893 -2.247 153 2HB TYR 24 1HB TYR 24 31.862 1.075 -3.575 154 HD1 TYR 24 HD2 TYR 24 31.834 -0.587 -5.471 155 HD2 TYR 24 HD1 TYR 24 28.832 -0.562 -2.428 156 HE1 TYR 24 HE2 TYR 24 30.366 -1.959 -6.889 157 HE2 TYR 24 HE1 TYR 24 27.385 -1.936 -3.845 158 HH TYR 24 HH TYR 24 28.502 -3.440 -6.726 159 H ALA 25 H ALA 25 32.254 0.142 0.243 160 HA ALA 25 HA ALA 25 34.049 2.348 0.233 161 1HB ALA 25 1HB ALA 25 32.964 0.652 2.486 162 2HB ALA 25 3HB ALA 25 33.917 2.119 2.721 163 3HB ALA 25 2HB ALA 25 32.342 2.207 1.928 164 H TRP 26 H TRP 26 34.574 -0.996 0.121 165 HA TRP 26 HA TRP 26 37.052 -1.067 1.588 166 1HB TRP 26 2HB TRP 26 35.278 -2.956 0.285 167 2HB TRP 26 1HB TRP 26 36.955 -3.277 -0.111 168 HD1 TRP 26 1HD TRP 26 34.468 -3.461 2.739 169 HE1 TRP 26 1HE TRP 26 35.560 -4.607 4.732 170 HE3 TRP 26 3HE TRP 26 39.309 -3.625 1.099 171 HZ2 TRP 26 2HZ TRP 26 38.107 -5.481 5.540 172 HZ3 TRP 26 3HZ TRP 26 41.030 -4.635 2.538 173 HH2 TRP 26 HH2 TRP 26 40.439 -5.556 4.740 174 H ALA 27 H ALA 27 36.057 -0.911 -1.796 175 HA ALA 27 HA ALA 27 38.595 -1.187 -2.981 176 1HB ALA 27 1HB ALA 27 35.918 -0.466 -3.810 177 2HB ALA 27 3HB ALA 27 37.125 0.529 -4.627 178 3HB ALA 27 2HB ALA 27 37.210 -1.230 -4.738 179 H MET 28 H MET 28 36.993 1.530 -1.494 180 HA MET 28 HA MET 28 38.797 3.523 -2.509 181 1HB MET 28 2HB MET 28 36.510 3.420 -0.617 182 2HB MET 28 1HB MET 28 37.678 4.687 -0.339 183 1HG MET 28 2HG MET 28 35.928 4.265 -2.767 184 2HG MET 28 1HG MET 28 35.991 5.649 -1.692 185 1HE MET 28 2HE MET 28 36.579 4.543 -4.982 186 2HE MET 28 1HE MET 28 36.073 6.228 -4.875 187 3HE MET 28 3HE MET 28 37.608 5.809 -5.649 188 H VAL 29 H VAL 29 38.754 1.327 0.158 189 HA VAL 29 HA VAL 29 40.699 2.739 1.742 190 HB VAL 29 HB VAL 29 39.660 -0.092 1.849 191 1HG1 VAL 29 1HG1 VAL 29 41.316 1.437 3.854 192 2HG1 VAL 29 3HG1 VAL 29 40.600 -0.155 4.112 193 3HG1 VAL 29 2HG1 VAL 29 41.854 0.062 2.889 194 1HG2 VAL 29 2HG2 VAL 29 38.124 1.965 2.271 195 2HG2 VAL 29 1HG2 VAL 29 38.101 0.619 3.413 196 3HG2 VAL 29 3HG2 VAL 29 39.003 2.086 3.797 197 H VAL 30 H VAL 30 40.711 0.263 -0.738 198 HA VAL 30 HA VAL 30 43.410 -0.574 -0.354 199 HB VAL 30 HB VAL 30 41.549 -0.827 -2.712 200 1HG1 VAL 30 2HG1 VAL 30 44.175 -2.156 -2.089 201 2HG1 VAL 30 1HG1 VAL 30 43.053 -2.723 -3.327 202 3HG1 VAL 30 3HG1 VAL 30 43.787 -1.126 -3.468 203 1HG2 VAL 30 2HG2 VAL 30 41.911 -2.361 -0.201 204 2HG2 VAL 30 1HG2 VAL 30 40.460 -2.097 -1.171 205 3HG2 VAL 30 3HG2 VAL 30 41.657 -3.290 -1.680 206 H VAL 31 H VAL 31 41.770 1.779 -2.422 207 HA VAL 31 HA VAL 31 44.014 2.445 -4.011 208 HB VAL 31 HB VAL 31 41.539 4.028 -3.348 209 1HG1 VAL 31 3HG1 VAL 31 43.454 5.344 -4.261 210 2HG1 VAL 31 2HG1 VAL 31 43.384 4.334 -5.707 211 3HG1 VAL 31 1HG1 VAL 31 42.010 5.353 -5.275 212 1HG2 VAL 31 3HG2 VAL 31 41.601 1.630 -4.596 213 2HG2 VAL 31 2HG2 VAL 31 40.422 2.892 -4.962 214 3HG2 VAL 31 1HG2 VAL 31 41.857 2.705 -5.972 215 H ILE 32 H ILE 32 43.043 3.289 -0.836 216 HA ILE 32 HA ILE 32 44.804 5.623 -0.729 217 HB ILE 32 HB ILE 32 42.907 4.423 1.284 218 1HG1 ILE 32 2HG1 ILE 32 42.712 7.057 -0.168 219 2HG1 ILE 32 1HG1 ILE 32 41.991 5.573 -0.783 220 1HG2 ILE 32 3HG2 ILE 32 45.074 6.295 1.645 221 2HG2 ILE 32 2HG2 ILE 32 43.523 7.057 2.009 222 3HG2 ILE 32 1HG2 ILE 32 43.999 5.578 2.848 223 1HD1 ILE 32 1HD1 ILE 32 41.393 6.813 1.911 224 2HD1 ILE 32 3HD1 ILE 32 40.363 6.931 0.483 225 3HD1 ILE 32 2HD1 ILE 32 40.642 5.363 1.245 226 H VAL 33 H VAL 33 44.328 2.576 1.083 227 HA VAL 33 HA VAL 33 46.821 2.772 2.451 228 HB VAL 33 HB VAL 33 44.881 0.501 2.038 229 1HG1 VAL 33 2HG1 VAL 33 47.139 -0.299 2.545 230 2HG1 VAL 33 1HG1 VAL 33 47.161 0.712 3.990 231 3HG1 VAL 33 3HG1 VAL 33 46.009 -0.617 3.862 232 1HG2 VAL 33 2HG2 VAL 33 45.230 2.583 4.174 233 2HG2 VAL 33 1HG2 VAL 33 43.771 2.139 3.287 234 3HG2 VAL 33 3HG2 VAL 33 44.427 1.048 4.509 235 H GLY 34 H GLY 34 45.767 1.525 -0.608 236 1HA GLY 34 2HA GLY 34 47.838 -0.347 -1.091 237 2HA GLY 34 1HA GLY 34 46.864 0.458 -2.325 238 H ALA 35 H ALA 35 47.520 3.120 -1.732 239 HA ALA 35 HA ALA 35 49.779 3.583 -3.268 240 1HB ALA 35 3HB ALA 35 48.001 5.153 -1.604 241 2HB ALA 35 2HB ALA 35 49.661 5.740 -1.494 242 3HB ALA 35 1HB ALA 35 48.870 5.622 -3.067 243 H THR 36 H THR 36 49.491 2.859 0.116 244 HA THR 36 HA THR 36 52.193 3.579 0.832 245 HB THR 36 HB THR 36 49.932 2.126 2.197 246 HG1 THR 36 HG1 THR 36 49.572 4.163 2.583 247 1HG2 THR 36 3HG2 THR 36 52.784 2.396 3.111 248 2HG2 THR 36 2HG2 THR 36 51.457 2.302 4.270 249 3HG2 THR 36 1HG2 THR 36 51.739 0.973 3.144 250 H ILE 37 H ILE 37 50.440 0.499 0.377 251 HA ILE 37 HA ILE 37 52.558 -1.255 0.789 252 HB ILE 37 HB ILE 37 50.282 -1.511 -1.167 253 1HG1 ILE 37 2HG1 ILE 37 50.553 -2.344 1.708 254 2HG1 ILE 37 1HG1 ILE 37 49.486 -1.099 1.076 255 1HG2 ILE 37 1HG2 ILE 37 52.528 -3.173 -0.786 256 2HG2 ILE 37 3HG2 ILE 37 51.158 -3.991 -0.033 257 3HG2 ILE 37 2HG2 ILE 37 51.076 -3.516 -1.731 258 1HD1 ILE 37 3HD1 ILE 37 48.480 -2.975 -0.378 259 2HD1 ILE 37 2HD1 ILE 37 49.310 -4.083 0.715 260 3HD1 ILE 37 1HD1 ILE 37 48.088 -2.975 1.343 261 H GLY 38 H GLY 38 51.851 0.822 -1.902 262 1HA GLY 38 2HA GLY 38 53.537 -0.448 -3.828 263 2HA GLY 38 1HA GLY 38 52.893 1.191 -3.920 264 H ILE 39 H ILE 39 54.050 1.789 -1.225 265 HA ILE 39 HA ILE 39 56.724 2.506 -2.181 266 HB ILE 39 HB ILE 39 55.670 3.297 0.496 267 1HG1 ILE 39 2HG1 ILE 39 53.769 3.826 -0.790 268 2HG1 ILE 39 1HG1 ILE 39 54.657 5.318 -0.590 269 1HG2 ILE 39 3HG2 ILE 39 57.982 3.835 -0.524 270 2HG2 ILE 39 2HG2 ILE 39 57.092 5.019 -1.486 271 3HG2 ILE 39 1HG2 ILE 39 57.074 5.121 0.276 272 1HD1 ILE 39 2HD1 ILE 39 55.670 4.907 -2.870 273 2HD1 ILE 39 1HD1 ILE 39 54.494 3.602 -3.064 274 3HD1 ILE 39 3HD1 ILE 39 53.945 5.263 -2.856 275 H LYS 40 H LYS 40 55.165 0.855 0.507 276 HA LYS 40 HA LYS 40 57.402 0.163 1.994 277 1HB LYS 40 2HB LYS 40 54.779 -0.245 2.283 278 2HB LYS 40 1HB LYS 40 55.234 -1.836 1.704 279 1HG LYS 40 2HG LYS 40 55.728 -2.275 3.850 280 2HG LYS 40 1HG LYS 40 57.162 -1.284 3.595 281 1HD LYS 40 2HD LYS 40 54.527 -0.065 4.380 282 2HD LYS 40 1HD LYS 40 55.624 -0.717 5.595 283 1HE LYS 40 2HE LYS 40 56.131 1.563 3.668 284 2HE LYS 40 1HE LYS 40 56.068 1.635 5.427 285 1HZ LYS 40 1HZ LYS 40 58.015 0.016 5.336 286 2HZ LYS 40 3HZ LYS 40 58.177 0.488 3.717 287 3HZ LYS 40 2HZ LYS 40 58.313 1.644 4.952 288 H LEU 41 H LEU 41 56.135 -1.161 -0.969 289 HA LEU 41 HA LEU 41 57.622 -3.586 -0.994 290 1HB LEU 41 2HB LEU 41 56.102 -1.974 -2.985 291 2HB LEU 41 1HB LEU 41 57.211 -3.197 -3.592 292 HG LEU 41 HG LEU 41 54.923 -3.629 -1.665 293 1HD1 LEU 41 2HD1 LEU 41 54.652 -3.305 -4.283 294 2HD1 LEU 41 1HD1 LEU 41 55.119 -5.007 -4.290 295 3HD1 LEU 41 3HD1 LEU 41 53.696 -4.487 -3.386 296 1HD2 LEU 41 2HD2 LEU 41 57.234 -5.328 -2.368 297 2HD2 LEU 41 1HD2 LEU 41 56.197 -5.351 -0.940 298 3HD2 LEU 41 3HD2 LEU 41 55.660 -6.121 -2.432 299 H PHE 42 H PHE 42 58.133 -0.445 -2.589 300 HA PHE 42 HA PHE 42 60.533 -0.965 -3.872 301 1HB PHE 42 2HB PHE 42 59.078 1.120 -3.982 302 2HB PHE 42 1HB PHE 42 59.905 1.647 -2.522 303 HD1 PHE 42 HD2 PHE 42 60.260 0.938 -6.105 304 HD2 PHE 42 HD1 PHE 42 62.213 2.345 -2.580 305 HE1 PHE 42 HE2 PHE 42 62.104 1.822 -7.480 306 HE2 PHE 42 HE1 PHE 42 64.056 3.230 -3.955 307 HZ PHE 42 HZ PHE 42 64.003 2.968 -6.405 308 H LYS 43 H LYS 43 60.043 0.368 -0.614 309 HA LYS 43 HA LYS 43 62.752 0.542 0.101 310 1HB LYS 43 2HB LYS 43 60.227 0.324 1.708 311 2HB LYS 43 1HB LYS 43 61.813 0.613 2.429 312 1HG LYS 43 2HG LYS 43 61.326 2.334 0.136 313 2HG LYS 43 1HG LYS 43 60.085 2.517 1.357 314 1HD LYS 43 2HD LYS 43 61.716 3.064 3.061 315 2HD LYS 43 1HD LYS 43 63.044 2.670 1.975 316 1HE LYS 43 2HE LYS 43 61.480 5.145 2.227 317 2HE LYS 43 1HE LYS 43 63.116 4.893 1.620 318 1HZ LYS 43 2HZ LYS 43 62.133 4.074 -0.464 319 2HZ LYS 43 1HZ LYS 43 60.585 4.446 0.129 320 3HZ LYS 43 3HZ LYS 43 61.712 5.686 -0.134 321 H LYS 44 H LYS 44 60.759 -2.222 -0.237 322 HA LYS 44 HA LYS 44 62.062 -3.836 1.763 323 1HB LYS 44 2HB LYS 44 59.762 -4.300 1.102 324 2HB LYS 44 1HB LYS 44 60.269 -4.609 -0.547 325 1HG LYS 44 2HG LYS 44 61.821 -6.222 1.259 326 2HG LYS 44 1HG LYS 44 60.101 -6.454 1.576 327 1HD LYS 44 2HD LYS 44 60.019 -6.563 -1.096 328 2HD LYS 44 1HD LYS 44 61.684 -7.093 -0.880 329 1HE LYS 44 2HE LYS 44 59.731 -8.876 -0.945 330 2HE LYS 44 1HE LYS 44 61.080 -9.077 0.167 331 1HZ LYS 44 3HZ LYS 44 58.591 -7.686 0.957 332 2HZ LYS 44 2HZ LYS 44 58.763 -9.370 1.086 333 3HZ LYS 44 1HZ LYS 44 59.795 -8.339 1.956 334 H PHE 45 H PHE 45 62.056 -3.858 -1.800 335 HA PHE 45 HA PHE 45 64.074 -5.791 -2.128 336 1HB PHE 45 2HB PHE 45 62.810 -3.702 -3.818 337 2HB PHE 45 1HB PHE 45 64.333 -4.372 -4.357 338 HD1 PHE 45 HD1 PHE 45 64.543 -6.896 -4.663 339 HD2 PHE 45 HD2 PHE 45 60.769 -4.933 -4.104 340 HE1 PHE 45 HE1 PHE 45 63.373 -8.857 -5.567 341 HE2 PHE 45 HE2 PHE 45 59.622 -6.904 -5.013 342 HZ PHE 45 HZ PHE 45 60.917 -8.865 -5.743 343 H THR 46 H THR 46 64.199 -2.314 -1.681 344 HA THR 46 HA THR 46 67.031 -2.174 -2.222 345 HB THR 46 HB THR 46 66.766 0.175 -1.774 346 HG1 THR 46 HG1 THR 46 65.371 0.634 -0.270 347 1HG2 THR 46 1HG2 THR 46 65.338 -1.269 -3.738 348 2HG2 THR 46 3HG2 THR 46 64.290 0.046 -3.198 349 3HG2 THR 46 2HG2 THR 46 65.904 0.403 -3.816 350 H SER 47 H SER 47 65.477 -3.477 0.296 351 HA SER 47 HA SER 47 67.501 -2.529 2.229 352 1HB SER 47 2HB SER 47 65.919 -2.643 3.994 353 2HB SER 47 1HB SER 47 65.153 -1.737 2.695 354 HG SER 47 HG SER 47 63.647 -3.219 2.723 355 H LYS 48 H LYS 48 67.172 -4.952 0.329 356 HA LYS 48 HA LYS 48 66.779 -7.263 1.837 357 1HB LYS 48 2HB LYS 48 68.335 -6.697 -0.671 358 2HB LYS 48 1HB LYS 48 68.287 -8.309 0.035 359 1HG LYS 48 2HG LYS 48 65.681 -6.931 -0.371 360 2HG LYS 48 1HG LYS 48 66.535 -7.474 -1.810 361 1HD LYS 48 2HD LYS 48 65.036 -9.226 -1.099 362 2HD LYS 48 1HD LYS 48 66.693 -9.748 -0.819 363 1HE LYS 48 2HE LYS 48 65.270 -8.388 1.421 364 2HE LYS 48 1HE LYS 48 64.791 -10.033 1.023 365 1HZ LYS 48 1HZ LYS 48 67.564 -9.162 1.620 366 2HZ LYS 48 3HZ LYS 48 66.534 -9.956 2.706 367 3HZ LYS 48 2HZ LYS 48 67.060 -10.750 1.299 368 H ALA 49 H ALA 49 69.840 -5.686 0.928 369 HA ALA 49 HA ALA 49 71.587 -7.301 2.292 370 1HB ALA 49 1HB ALA 49 71.634 -4.432 1.478 371 2HB ALA 49 3HB ALA 49 72.915 -5.042 2.527 372 3HB ALA 49 2HB ALA 49 72.653 -5.769 0.939 373 H SER 50 H SER 50 72.024 -7.665 4.380 374 HA SER 50 HA SER 50 71.875 -7.578 6.667 375 1HB SER 50 2HB SER 50 71.653 -4.593 6.367 376 2HB SER 50 1HB SER 50 72.377 -5.510 7.683 377 HG SER 50 HG SER 50 73.988 -4.681 6.286 No H/Q in entry = 377 Start of MODEL 6 1 1H ALA 1 1H ALA 1 34.221 16.317 28.681 2 2H ALA 1 3H ALA 1 34.806 15.508 27.309 3 3H ALA 1 2H ALA 1 33.522 16.610 27.160 4 HA ALA 1 HA ALA 1 31.988 15.215 28.091 5 1HB ALA 1 2HB ALA 1 32.973 14.324 25.905 6 2HB ALA 1 1HB ALA 1 33.906 13.199 26.895 7 3HB ALA 1 3HB ALA 1 32.141 13.132 26.911 8 H GLU 2 H GLU 2 32.277 12.460 28.735 9 HA GLU 2 HA GLU 2 34.118 11.840 30.709 10 1HB GLU 2 2HB GLU 2 32.632 12.168 32.740 11 2HB GLU 2 1HB GLU 2 33.358 13.625 32.064 12 1HG GLU 2 2HG GLU 2 31.210 13.964 30.770 13 2HG GLU 2 1HG GLU 2 30.514 12.662 31.737 14 H GLY 3 H GLY 3 33.950 9.717 31.060 15 1HA GLY 3 2HA GLY 3 33.066 7.599 31.249 16 2HA GLY 3 1HA GLY 3 31.468 8.335 31.356 17 H ASP 4 H ASP 4 31.307 6.174 29.984 18 HA ASP 4 HA ASP 4 31.680 6.822 27.129 19 1HB ASP 4 2HB ASP 4 32.663 4.684 28.215 20 2HB ASP 4 1HB ASP 4 31.001 4.094 28.180 21 H ASP 5 H ASP 5 29.593 8.080 28.424 22 HA ASP 5 HA ASP 5 27.392 7.406 26.815 23 1HB ASP 5 2HB ASP 5 27.202 5.493 28.355 24 2HB ASP 5 1HB ASP 5 27.100 6.612 29.715 25 HA PRO 6 HA PRO 6 27.270 11.573 28.754 26 1HB PRO 6 2HB PRO 6 27.477 13.013 26.478 27 2HB PRO 6 1HB PRO 6 28.876 12.409 27.377 28 1HG PRO 6 2HG PRO 6 27.765 11.497 24.816 29 2HG PRO 6 1HG PRO 6 29.399 11.310 25.469 30 1HD PRO 6 2HD PRO 6 27.323 9.361 25.406 31 2HD PRO 6 1HD PRO 6 28.928 9.214 26.146 32 H ALA 7 H ALA 7 25.341 9.815 26.623 33 HA ALA 7 HA ALA 7 23.038 9.835 26.397 34 1HB ALA 7 2HB ALA 7 23.203 11.571 28.424 35 2HB ALA 7 1HB ALA 7 22.737 12.696 27.147 36 3HB ALA 7 3HB ALA 7 21.707 11.314 27.524 37 H LYS 8 H LYS 8 24.664 12.886 25.581 38 HA LYS 8 HA LYS 8 23.089 13.490 23.324 39 1HB LYS 8 2HB LYS 8 24.632 15.199 22.899 40 2HB LYS 8 1HB LYS 8 24.663 15.015 24.643 41 1HG LYS 8 2HG LYS 8 26.731 13.797 24.560 42 2HG LYS 8 1HG LYS 8 26.669 13.682 22.804 43 1HD LYS 8 2HD LYS 8 27.273 16.071 24.537 44 2HD LYS 8 1HD LYS 8 28.212 15.412 23.205 45 1HE LYS 8 2HE LYS 8 25.648 17.020 23.045 46 2HE LYS 8 1HE LYS 8 27.244 17.470 22.448 47 1HZ LYS 8 1HZ LYS 8 26.311 14.993 21.347 48 2HZ LYS 8 3HZ LYS 8 25.272 16.287 21.001 49 3HZ LYS 8 2HZ LYS 8 26.911 16.375 20.565 50 H ALA 9 H ALA 9 26.060 11.643 23.752 51 HA ALA 9 HA ALA 9 26.652 11.251 21.012 52 1HB ALA 9 2HB ALA 9 27.467 10.012 23.585 53 2HB ALA 9 1HB ALA 9 27.726 9.062 22.121 54 3HB ALA 9 3HB ALA 9 28.460 10.659 22.277 55 H ALA 10 H ALA 10 24.482 9.682 23.249 56 HA ALA 10 HA ALA 10 23.966 7.356 21.674 57 1HB ALA 10 1HB ALA 10 23.510 7.540 24.125 58 2HB ALA 10 3HB ALA 10 22.183 8.642 23.751 59 3HB ALA 10 2HB ALA 10 22.125 6.970 23.191 60 H PHE 11 H PHE 11 22.280 10.447 22.132 61 HA PHE 11 HA PHE 11 20.143 9.938 20.356 62 1HB PHE 11 2HB PHE 11 20.636 11.873 22.119 63 2HB PHE 11 1HB PHE 11 21.183 12.706 20.675 64 HD1 PHE 11 HD2 PHE 11 19.581 12.924 18.704 65 HD2 PHE 11 HD1 PHE 11 18.305 11.663 22.596 66 HE1 PHE 11 HE2 PHE 11 17.255 13.474 18.131 67 HE2 PHE 11 HE1 PHE 11 15.986 12.218 22.005 68 HZ PHE 11 HZ PHE 11 15.458 13.121 19.777 69 H ASN 12 H ASN 12 23.405 11.095 19.908 70 HA ASN 12 HA ASN 12 22.993 11.847 17.138 71 1HB ASN 12 2HB ASN 12 24.939 12.396 19.106 72 2HB ASN 12 1HB ASN 12 25.765 11.501 17.831 73 1HD2 ASN 12 2HD2 ASN 12 26.124 14.801 16.541 74 2HD2 ASN 12 1HD2 ASN 12 26.855 13.620 17.570 75 H SER 13 H SER 13 23.905 9.033 18.924 76 HA SER 13 HA SER 13 25.358 7.625 16.949 77 1HB SER 13 2HB SER 13 24.775 7.116 19.527 78 2HB SER 13 1HB SER 13 23.578 6.082 18.742 79 HG SER 13 HG SER 13 25.203 4.977 17.724 80 H LEU 14 H LEU 14 21.995 8.303 17.331 81 HA LEU 14 HA LEU 14 21.029 6.168 15.674 82 1HB LEU 14 2HB LEU 14 19.518 8.712 16.120 83 2HB LEU 14 1HB LEU 14 18.904 7.070 15.965 84 HG LEU 14 HG LEU 14 20.427 8.212 18.324 85 1HD1 LEU 14 2HD1 LEU 14 17.536 7.375 18.023 86 2HD1 LEU 14 1HD1 LEU 14 18.311 7.762 19.558 87 3HD1 LEU 14 3HD1 LEU 14 18.149 9.006 18.317 88 1HD2 LEU 14 2HD2 LEU 14 19.319 5.425 17.905 89 2HD2 LEU 14 1HD2 LEU 14 21.024 5.869 18.017 90 3HD2 LEU 14 3HD2 LEU 14 19.971 6.040 19.423 91 H GLN 15 H GLN 15 21.803 9.574 15.248 92 HA GLN 15 HA GLN 15 20.996 9.638 12.475 93 1HB GLN 15 2HB GLN 15 20.811 11.622 13.873 94 2HB GLN 15 1HB GLN 15 22.543 11.606 14.164 95 1HG GLN 15 2HG GLN 15 22.082 13.235 12.448 96 2HG GLN 15 1HG GLN 15 22.889 11.860 11.698 97 1HE2 GLN 15 2HD2 GLN 15 20.330 12.027 9.305 98 2HE2 GLN 15 1HD2 GLN 15 21.994 12.322 9.667 99 H ALA 16 H ALA 16 23.909 9.121 14.297 100 HA ALA 16 HA ALA 16 25.632 9.323 11.955 101 1HB ALA 16 2HB ALA 16 26.017 9.692 14.677 102 2HB ALA 16 1HB ALA 16 26.844 8.171 14.331 103 3HB ALA 16 3HB ALA 16 27.276 9.632 13.442 104 H SER 17 H SER 17 23.480 7.119 12.547 105 HA SER 17 HA SER 17 25.186 4.743 12.354 106 1HB SER 17 2HB SER 17 23.227 4.799 13.919 107 2HB SER 17 1HB SER 17 22.174 4.901 12.511 108 HG SER 17 HG SER 17 22.484 2.826 12.173 109 H ALA 18 H ALA 18 24.913 6.747 10.197 110 HA ALA 18 HA ALA 18 23.523 5.213 8.110 111 1HB ALA 18 3HB ALA 18 23.117 7.697 8.419 112 2HB ALA 18 2HB ALA 18 24.768 7.943 7.844 113 3HB ALA 18 1HB ALA 18 23.570 7.186 6.792 114 H THR 19 H THR 19 25.435 3.698 8.588 115 HA THR 19 HA THR 19 27.999 4.396 7.508 116 HB THR 19 HB THR 19 28.413 1.915 7.688 117 HG1 THR 19 HG1 THR 19 25.903 1.853 8.990 118 1HG2 THR 19 3HG2 THR 19 27.552 3.606 10.017 119 2HG2 THR 19 2HG2 THR 19 28.009 1.922 10.277 120 3HG2 THR 19 1HG2 THR 19 29.170 3.049 9.574 121 H GLU 20 H GLU 20 25.102 3.813 5.989 122 HA GLU 20 HA GLU 20 26.022 2.225 3.791 123 1HB GLU 20 2HB GLU 20 23.561 2.990 4.782 124 2HB GLU 20 1HB GLU 20 23.691 3.886 3.271 125 1HG GLU 20 2HG GLU 20 22.630 1.662 2.972 126 2HG GLU 20 1HG GLU 20 24.120 1.833 2.044 127 H TYR 21 H TYR 21 26.503 5.417 4.660 128 HA TYR 21 HA TYR 21 26.810 6.328 1.883 129 1HB TYR 21 2HB TYR 21 26.470 7.721 4.506 130 2HB TYR 21 1HB TYR 21 27.266 8.559 3.183 131 HD1 TYR 21 HD2 TYR 21 26.025 8.973 1.057 132 HD2 TYR 21 HD1 TYR 21 24.111 7.352 4.518 133 HE1 TYR 21 HE2 TYR 21 23.823 9.544 0.115 134 HE2 TYR 21 HE1 TYR 21 21.914 7.927 3.567 135 HH TYR 21 HH TYR 21 20.894 8.371 1.418 136 H ILE 22 H ILE 22 28.595 5.417 4.708 137 HA ILE 22 HA ILE 22 31.064 6.651 3.782 138 HB ILE 22 HB ILE 22 30.405 4.878 6.131 139 1HG1 ILE 22 2HG1 ILE 22 29.605 7.333 6.052 140 2HG1 ILE 22 1HG1 ILE 22 30.490 6.819 7.497 141 1HG2 ILE 22 1HG2 ILE 22 32.732 4.477 5.427 142 2HG2 ILE 22 3HG2 ILE 22 33.058 6.210 5.520 143 3HG2 ILE 22 2HG2 ILE 22 32.667 5.307 6.985 144 1HD1 ILE 22 1HD1 ILE 22 32.477 7.771 5.760 145 2HD1 ILE 22 3HD1 ILE 22 31.137 8.907 5.590 146 3HD1 ILE 22 2HD1 ILE 22 31.825 8.581 7.180 147 H GLY 23 H GLY 23 29.403 3.714 3.246 148 1HA GLY 23 2HA GLY 23 31.516 1.882 2.983 149 2HA GLY 23 1HA GLY 23 29.968 1.785 2.141 150 H TYR 24 H TYR 24 30.312 4.403 0.886 151 HA TYR 24 HA TYR 24 31.403 3.684 -1.565 152 1HB TYR 24 2HB TYR 24 30.792 6.290 -0.245 153 2HB TYR 24 1HB TYR 24 31.677 6.294 -1.761 154 HD1 TYR 24 HD1 TYR 24 30.649 5.033 -3.748 155 HD2 TYR 24 HD2 TYR 24 28.422 6.080 -0.243 156 HE1 TYR 24 HE1 TYR 24 28.544 4.771 -4.994 157 HE2 TYR 24 HE2 TYR 24 26.330 5.814 -1.505 158 HH TYR 24 HH TYR 24 26.112 5.769 -4.739 159 H ALA 25 H ALA 25 32.945 4.864 1.316 160 HA ALA 25 HA ALA 25 35.462 5.442 -0.019 161 1HB ALA 25 3HB ALA 25 34.334 5.800 2.693 162 2HB ALA 25 2HB ALA 25 36.075 5.527 2.606 163 3HB ALA 25 1HB ALA 25 35.349 6.881 1.737 164 H TRP 26 H TRP 26 33.943 2.842 1.719 165 HA TRP 26 HA TRP 26 36.163 1.379 2.563 166 1HB TRP 26 2HB TRP 26 33.331 0.893 2.151 167 2HB TRP 26 1HB TRP 26 34.300 -0.510 1.746 168 HD1 TRP 26 1HD TRP 26 32.597 0.916 4.620 169 HE1 TRP 26 1HE TRP 26 33.575 0.044 6.809 170 HE3 TRP 26 3HE TRP 26 36.967 -1.118 2.895 171 HZ2 TRP 26 2HZ TRP 26 35.852 -1.316 7.725 172 HZ3 TRP 26 3HZ TRP 26 38.504 -2.194 4.489 173 HH2 TRP 26 HH2 TRP 26 37.955 -2.292 6.885 174 H ALA 27 H ALA 27 34.701 1.723 -0.595 175 HA ALA 27 HA ALA 27 36.135 -0.432 -1.833 176 1HB ALA 27 3HB ALA 27 34.472 1.863 -2.803 177 2HB ALA 27 2HB ALA 27 35.463 0.958 -3.948 178 3HB ALA 27 1HB ALA 27 34.216 0.130 -3.014 179 H MET 28 H MET 28 36.505 3.105 -1.756 180 HA MET 28 HA MET 28 38.845 3.223 -3.307 181 1HB MET 28 2HB MET 28 37.120 5.039 -2.575 182 2HB MET 28 1HB MET 28 38.166 5.187 -1.169 183 1HG MET 28 2HG MET 28 38.746 6.801 -2.904 184 2HG MET 28 1HG MET 28 40.059 5.677 -2.593 185 1HE MET 28 1HE MET 28 36.932 6.329 -4.816 186 2HE MET 28 3HE MET 28 38.177 7.473 -5.336 187 3HE MET 28 2HE MET 28 37.633 6.200 -6.428 188 H VAL 29 H VAL 29 38.226 2.925 0.150 189 HA VAL 29 HA VAL 29 40.784 3.351 1.153 190 HB VAL 29 HB VAL 29 38.553 1.554 2.087 191 1HG1 VAL 29 3HG1 VAL 29 40.725 0.813 3.003 192 2HG1 VAL 29 2HG1 VAL 29 40.978 2.434 3.650 193 3HG1 VAL 29 1HG1 VAL 29 39.640 1.445 4.241 194 1HG2 VAL 29 1HG2 VAL 29 38.556 4.236 1.944 195 2HG2 VAL 29 3HG2 VAL 29 37.720 3.339 3.213 196 3HG2 VAL 29 2HG2 VAL 29 39.316 4.025 3.523 197 H VAL 30 H VAL 30 39.400 0.587 -0.476 198 HA VAL 30 HA VAL 30 41.412 -1.298 0.206 199 HB VAL 30 HB VAL 30 39.463 -1.168 -2.091 200 1HG1 VAL 30 3HG1 VAL 30 41.363 -3.298 -1.189 201 2HG1 VAL 30 2HG1 VAL 30 39.874 -3.704 -2.046 202 3HG1 VAL 30 1HG1 VAL 30 41.083 -2.673 -2.813 203 1HG2 VAL 30 2HG2 VAL 30 38.802 -1.355 0.486 204 2HG2 VAL 30 1HG2 VAL 30 37.928 -2.221 -0.778 205 3HG2 VAL 30 3HG2 VAL 30 39.155 -3.056 0.177 206 H VAL 31 H VAL 31 41.041 1.151 -2.258 207 HA VAL 31 HA VAL 31 43.236 0.233 -3.869 208 HB VAL 31 HB VAL 31 41.637 2.784 -3.868 209 1HG1 VAL 31 3HG1 VAL 31 43.996 1.946 -5.400 210 2HG1 VAL 31 2HG1 VAL 31 42.661 2.579 -6.365 211 3HG1 VAL 31 1HG1 VAL 31 43.363 3.560 -5.076 212 1HG2 VAL 31 3HG2 VAL 31 40.428 0.650 -4.406 213 2HG2 VAL 31 2HG2 VAL 31 40.433 1.839 -5.712 214 3HG2 VAL 31 1HG2 VAL 31 41.520 0.449 -5.779 215 H ILE 32 H ILE 32 42.912 2.061 -1.024 216 HA ILE 32 HA ILE 32 45.308 3.651 -1.407 217 HB ILE 32 HB ILE 32 43.563 3.233 1.017 218 1HG1 ILE 32 2HG1 ILE 32 43.667 5.444 -1.040 219 2HG1 ILE 32 1HG1 ILE 32 42.344 4.314 -0.768 220 1HG2 ILE 32 2HG2 ILE 32 45.837 5.147 0.498 221 2HG2 ILE 32 1HG2 ILE 32 44.681 5.332 1.819 222 3HG2 ILE 32 3HG2 ILE 32 45.730 3.915 1.757 223 1HD1 ILE 32 3HD1 ILE 32 42.702 5.408 1.731 224 2HD1 ILE 32 2HD1 ILE 32 43.028 6.777 0.665 225 3HD1 ILE 32 1HD1 ILE 32 41.486 5.924 0.560 226 H VAL 33 H VAL 33 44.392 0.600 -0.019 227 HA VAL 33 HA VAL 33 46.627 0.253 1.688 228 HB VAL 33 HB VAL 33 44.634 -1.622 0.428 229 1HG1 VAL 33 2HG1 VAL 33 47.147 -2.266 1.637 230 2HG1 VAL 33 1HG1 VAL 33 45.823 -2.875 2.631 231 3HG1 VAL 33 3HG1 VAL 33 45.936 -3.337 0.932 232 1HG2 VAL 33 2HG2 VAL 33 44.813 -0.075 2.922 233 2HG2 VAL 33 1HG2 VAL 33 43.398 -0.651 2.040 234 3HG2 VAL 33 3HG2 VAL 33 44.275 -1.746 3.112 235 H GLY 34 H GLY 34 45.854 -1.236 -1.485 236 1HA GLY 34 2HA GLY 34 48.260 -2.505 -1.969 237 2HA GLY 34 1HA GLY 34 47.229 -1.837 -3.236 238 H ALA 35 H ALA 35 47.525 0.889 -2.040 239 HA ALA 35 HA ALA 35 49.731 1.773 -3.596 240 1HB ALA 35 2HB ALA 35 47.553 3.017 -2.771 241 2HB ALA 35 1HB ALA 35 48.592 3.467 -1.417 242 3HB ALA 35 3HB ALA 35 49.048 3.909 -3.064 243 H THR 36 H THR 36 49.359 0.794 -0.279 244 HA THR 36 HA THR 36 51.799 2.013 0.642 245 HB THR 36 HB THR 36 49.637 1.232 1.961 246 HG1 THR 36 HG1 THR 36 51.325 2.391 2.877 247 1HG2 THR 36 1HG2 THR 36 51.464 -1.166 2.181 248 2HG2 THR 36 3HG2 THR 36 50.155 -0.806 3.307 249 3HG2 THR 36 2HG2 THR 36 49.795 -1.148 1.617 250 H ILE 37 H ILE 37 50.811 -1.339 -0.026 251 HA ILE 37 HA ILE 37 53.176 -2.668 0.390 252 HB ILE 37 HB ILE 37 51.124 -3.125 -1.759 253 1HG1 ILE 37 2HG1 ILE 37 51.430 -4.183 1.036 254 2HG1 ILE 37 1HG1 ILE 37 50.165 -3.112 0.450 255 1HG2 ILE 37 1HG2 ILE 37 53.240 -4.977 -0.667 256 2HG2 ILE 37 3HG2 ILE 37 51.923 -5.460 -1.740 257 3HG2 ILE 37 2HG2 ILE 37 53.155 -4.330 -2.308 258 1HD1 ILE 37 2HD1 ILE 37 50.635 -5.914 -0.581 259 2HD1 ILE 37 1HD1 ILE 37 49.450 -5.495 0.659 260 3HD1 ILE 37 3HD1 ILE 37 49.282 -4.850 -0.975 261 H GLY 38 H GLY 38 52.391 -0.469 -2.181 262 1HA GLY 38 2HA GLY 38 54.507 -1.264 -3.957 263 2HA GLY 38 1HA GLY 38 53.538 0.204 -4.071 264 H ILE 39 H ILE 39 53.992 1.691 -2.044 265 HA ILE 39 HA ILE 39 56.654 2.614 -2.360 266 HB ILE 39 HB ILE 39 54.642 3.349 -0.238 267 1HG1 ILE 39 2HG1 ILE 39 54.931 5.210 -2.441 268 2HG1 ILE 39 1HG1 ILE 39 54.397 3.629 -2.999 269 1HG2 ILE 39 1HG2 ILE 39 57.282 4.391 -1.034 270 2HG2 ILE 39 3HG2 ILE 39 56.028 5.595 -0.741 271 3HG2 ILE 39 2HG2 ILE 39 56.460 4.444 0.525 272 1HD1 ILE 39 1HD1 ILE 39 52.869 4.044 -0.732 273 2HD1 ILE 39 3HD1 ILE 39 52.950 5.646 -1.466 274 3HD1 ILE 39 2HD1 ILE 39 52.330 4.280 -2.396 275 H LYS 40 H LYS 40 55.164 0.402 -0.148 276 HA LYS 40 HA LYS 40 57.095 0.584 1.942 277 1HB LYS 40 2HB LYS 40 54.648 -0.604 1.657 278 2HB LYS 40 1HB LYS 40 55.728 -1.982 1.573 279 1HG LYS 40 2HG LYS 40 55.479 -1.861 3.830 280 2HG LYS 40 1HG LYS 40 56.776 -0.674 3.679 281 1HD LYS 40 2HD LYS 40 55.382 1.115 3.989 282 2HD LYS 40 1HD LYS 40 54.006 0.298 3.262 283 1HE LYS 40 2HE LYS 40 54.649 0.616 6.042 284 2HE LYS 40 1HE LYS 40 53.197 -0.043 5.298 285 1HZ LYS 40 2HZ LYS 40 55.666 -1.612 5.757 286 2HZ LYS 40 1HZ LYS 40 54.352 -1.576 6.833 287 3HZ LYS 40 3HZ LYS 40 54.148 -2.198 5.269 288 H LEU 41 H LEU 41 56.592 -1.520 -0.842 289 HA LEU 41 HA LEU 41 58.763 -3.269 -0.427 290 1HB LEU 41 2HB LEU 41 57.023 -2.504 -2.721 291 2HB LEU 41 1HB LEU 41 58.479 -3.425 -3.064 292 HG LEU 41 HG LEU 41 56.337 -4.218 -1.085 293 1HD1 LEU 41 1HD1 LEU 41 55.559 -4.283 -3.424 294 2HD1 LEU 41 3HD1 LEU 41 56.904 -5.354 -3.823 295 3HD1 LEU 41 2HD1 LEU 41 55.653 -5.890 -2.700 296 1HD2 LEU 41 2HD2 LEU 41 59.018 -5.124 -1.377 297 2HD2 LEU 41 1HD2 LEU 41 57.756 -5.760 -0.322 298 3HD2 LEU 41 3HD2 LEU 41 57.951 -6.406 -1.951 299 H PHE 42 H PHE 42 58.507 -0.139 -2.018 300 HA PHE 42 HA PHE 42 60.997 -0.118 -3.338 301 1HB PHE 42 2HB PHE 42 58.899 1.500 -3.395 302 2HB PHE 42 1HB PHE 42 59.861 2.398 -2.228 303 HD1 PHE 42 HD1 PHE 42 59.866 0.989 -5.657 304 HD2 PHE 42 HD2 PHE 42 61.694 3.709 -2.921 305 HE1 PHE 42 HE1 PHE 42 61.167 1.975 -7.505 306 HE2 PHE 42 HE2 PHE 42 62.994 4.694 -4.768 307 HZ PHE 42 HZ PHE 42 62.730 3.827 -7.060 308 H LYS 43 H LYS 43 60.031 1.021 -0.121 309 HA LYS 43 HA LYS 43 62.415 2.211 0.663 310 1HB LYS 43 2HB LYS 43 60.243 0.838 2.208 311 2HB LYS 43 1HB LYS 43 61.621 1.582 3.015 312 1HG LYS 43 2HG LYS 43 60.037 3.150 0.995 313 2HG LYS 43 1HG LYS 43 59.411 2.962 2.620 314 1HD LYS 43 2HD LYS 43 60.753 4.583 3.392 315 2HD LYS 43 1HD LYS 43 62.179 3.766 2.780 316 1HE LYS 43 2HE LYS 43 60.650 6.031 1.637 317 2HE LYS 43 1HE LYS 43 62.369 5.676 1.562 318 1HZ LYS 43 3HZ LYS 43 61.631 3.804 -0.016 319 2HZ LYS 43 2HZ LYS 43 60.199 4.701 -0.168 320 3HZ LYS 43 1HZ LYS 43 61.688 5.394 -0.597 321 H LYS 44 H LYS 44 61.475 -1.198 0.807 322 HA LYS 44 HA LYS 44 63.822 -1.958 2.275 323 1HB LYS 44 2HB LYS 44 61.447 -3.116 2.053 324 2HB LYS 44 1HB LYS 44 62.215 -3.930 0.700 325 1HG LYS 44 2HG LYS 44 63.973 -4.076 2.983 326 2HG LYS 44 1HG LYS 44 62.350 -4.585 3.459 327 1HD LYS 44 2HD LYS 44 63.780 -6.485 2.581 328 2HD LYS 44 1HD LYS 44 62.311 -6.236 1.626 329 1HE LYS 44 2HE LYS 44 64.319 -6.618 0.207 330 2HE LYS 44 1HE LYS 44 63.617 -5.024 -0.082 331 1HZ LYS 44 2HZ LYS 44 65.298 -4.192 1.583 332 2HZ LYS 44 1HZ LYS 44 66.053 -5.709 1.455 333 3HZ LYS 44 3HZ LYS 44 65.916 -4.712 0.090 334 H PHE 45 H PHE 45 62.755 -2.473 -1.099 335 HA PHE 45 HA PHE 45 65.062 -3.757 -2.035 336 1HB PHE 45 2HB PHE 45 62.825 -2.232 -3.256 337 2HB PHE 45 1HB PHE 45 64.259 -2.485 -4.223 338 HD1 PHE 45 HD2 PHE 45 65.038 -4.807 -4.760 339 HD2 PHE 45 HD1 PHE 45 61.310 -4.068 -2.778 340 HE1 PHE 45 HE2 PHE 45 64.283 -7.080 -5.304 341 HE2 PHE 45 HE1 PHE 45 60.575 -6.343 -3.331 342 HZ PHE 45 HZ PHE 45 62.057 -7.850 -4.592 343 H THR 46 H THR 46 64.283 -0.306 -1.819 344 HA THR 46 HA THR 46 66.793 0.453 -3.028 345 HB THR 46 HB THR 46 66.002 2.702 -2.732 346 HG1 THR 46 HG1 THR 46 64.015 3.061 -1.634 347 1HG2 THR 46 3HG2 THR 46 64.763 0.779 -4.276 348 2HG2 THR 46 2HG2 THR 46 63.416 1.593 -3.478 349 3HG2 THR 46 1HG2 THR 46 64.563 2.525 -4.441 350 H SER 47 H SER 47 65.839 -0.492 0.062 351 HA SER 47 HA SER 47 67.465 1.299 1.606 352 1HB SER 47 2HB SER 47 65.759 0.383 2.868 353 2HB SER 47 1HB SER 47 65.931 -1.210 2.140 354 HG SER 47 HG SER 47 67.508 -1.673 3.529 355 H LYS 48 H LYS 48 68.036 -1.569 -0.220 356 HA LYS 48 HA LYS 48 70.077 -2.897 0.946 357 1HB LYS 48 2HB LYS 48 69.382 -2.246 -1.841 358 2HB LYS 48 1HB LYS 48 71.050 -2.745 -1.586 359 1HG LYS 48 2HG LYS 48 70.346 -4.847 -0.631 360 2HG LYS 48 1HG LYS 48 68.656 -4.330 -0.621 361 1HD LYS 48 2HD LYS 48 68.868 -5.728 -2.497 362 2HD LYS 48 1HD LYS 48 68.877 -4.088 -3.137 363 1HE LYS 48 2HE LYS 48 70.673 -4.945 -4.279 364 2HE LYS 48 1HE LYS 48 71.497 -4.364 -2.835 365 1HZ LYS 48 1HZ LYS 48 70.771 -6.826 -2.088 366 2HZ LYS 48 3HZ LYS 48 71.039 -7.069 -3.745 367 3HZ LYS 48 2HZ LYS 48 72.280 -6.441 -2.769 368 H ALA 49 H ALA 49 70.595 -0.058 -1.144 369 HA ALA 49 HA ALA 49 72.193 1.591 -1.096 370 1HB ALA 49 1HB ALA 49 71.737 1.247 1.493 371 2HB ALA 49 3HB ALA 49 73.371 0.582 1.451 372 3HB ALA 49 2HB ALA 49 73.079 2.241 0.923 373 H SER 50 H SER 50 74.691 1.804 -0.908 374 HA SER 50 HA SER 50 75.868 -0.052 -2.647 375 1HB SER 50 2HB SER 50 77.111 1.961 -0.776 376 2HB SER 50 1HB SER 50 78.020 1.049 -1.976 377 HG SER 50 HG SER 50 76.787 3.305 -2.372 No H/Q in entry = 377 Start of MODEL 7 1 1H ALA 1 1H ALA 1 16.514 -8.784 28.455 2 2H ALA 1 3H ALA 1 15.673 -9.026 29.908 3 3H ALA 1 2H ALA 1 17.119 -8.133 29.902 4 HA ALA 1 HA ALA 1 18.365 -9.921 30.119 5 1HB ALA 1 3HB ALA 1 16.474 -10.538 31.636 6 2HB ALA 1 2HB ALA 1 15.734 -11.422 30.301 7 3HB ALA 1 1HB ALA 1 17.286 -11.951 30.953 8 H GLU 2 H GLU 2 15.757 -10.456 27.809 9 HA GLU 2 HA GLU 2 17.369 -11.136 25.669 10 1HB GLU 2 2HB GLU 2 17.080 -13.289 27.552 11 2HB GLU 2 1HB GLU 2 16.327 -13.729 26.020 12 1HG GLU 2 2HG GLU 2 18.350 -13.370 24.817 13 2HG GLU 2 1HG GLU 2 19.106 -12.566 26.193 14 H GLY 3 H GLY 3 15.149 -9.604 25.974 15 1HA GLY 3 2HA GLY 3 13.507 -10.334 23.851 16 2HA GLY 3 1HA GLY 3 12.688 -10.840 25.328 17 H ASP 4 H ASP 4 13.054 -8.345 23.173 18 HA ASP 4 HA ASP 4 11.988 -6.389 25.107 19 1HB ASP 4 2HB ASP 4 14.471 -6.146 24.109 20 2HB ASP 4 1HB ASP 4 13.559 -5.350 22.826 21 H ASP 5 H ASP 5 12.567 -6.539 21.614 22 HA ASP 5 HA ASP 5 9.827 -6.730 20.915 23 1HB ASP 5 2HB ASP 5 10.197 -4.295 21.775 24 2HB ASP 5 1HB ASP 5 10.981 -4.060 20.213 25 HA PRO 6 HA PRO 6 12.367 -7.846 17.371 26 1HB PRO 6 2HB PRO 6 10.621 -9.610 16.296 27 2HB PRO 6 1HB PRO 6 11.671 -9.994 17.668 28 1HG PRO 6 2HG PRO 6 8.774 -9.553 17.608 29 2HG PRO 6 1HG PRO 6 9.764 -10.389 18.813 30 1HD PRO 6 2HD PRO 6 8.699 -7.735 18.950 31 2HD PRO 6 1HD PRO 6 9.702 -8.575 20.147 32 H ALA 7 H ALA 7 9.937 -5.755 17.520 33 HA ALA 7 HA ALA 7 9.117 -5.761 14.723 34 1HB ALA 7 3HB ALA 7 8.290 -4.324 17.198 35 2HB ALA 7 2HB ALA 7 7.988 -3.542 15.645 36 3HB ALA 7 1HB ALA 7 7.302 -5.134 15.981 37 H LYS 8 H LYS 8 11.466 -4.268 16.755 38 HA LYS 8 HA LYS 8 11.890 -1.891 15.233 39 1HB LYS 8 2HB LYS 8 13.921 -3.266 16.979 40 2HB LYS 8 1HB LYS 8 13.767 -1.557 16.623 41 1HG LYS 8 2HG LYS 8 11.430 -2.809 17.968 42 2HG LYS 8 1HG LYS 8 12.909 -2.683 18.912 43 1HD LYS 8 2HD LYS 8 11.311 -0.713 19.093 44 2HD LYS 8 1HD LYS 8 12.989 -0.332 18.736 45 1HE LYS 8 2HE LYS 8 11.385 0.992 17.378 46 2HE LYS 8 1HE LYS 8 12.458 0.012 16.380 47 1HZ LYS 8 3HZ LYS 8 10.462 -1.680 16.660 48 2HZ LYS 8 2HZ LYS 8 9.585 -0.239 16.857 49 3HZ LYS 8 1HZ LYS 8 10.481 -0.506 15.437 50 H ALA 9 H ALA 9 13.058 -5.168 15.090 51 HA ALA 9 HA ALA 9 15.377 -5.029 13.650 52 1HB ALA 9 2HB ALA 9 13.069 -6.949 13.460 53 2HB ALA 9 1HB ALA 9 14.540 -7.164 12.506 54 3HB ALA 9 3HB ALA 9 14.623 -7.170 14.269 55 H ALA 10 H ALA 10 12.165 -4.252 12.546 56 HA ALA 10 HA ALA 10 12.985 -4.110 9.744 57 1HB ALA 10 2HB ALA 10 10.652 -4.847 10.770 58 2HB ALA 10 1HB ALA 10 10.340 -3.112 10.695 59 3HB ALA 10 3HB ALA 10 10.747 -3.999 9.225 60 H PHE 11 H PHE 11 11.731 -1.912 12.256 61 HA PHE 11 HA PHE 11 11.830 0.466 10.831 62 1HB PHE 11 2HB PHE 11 10.995 -0.052 13.234 63 2HB PHE 11 1HB PHE 11 12.633 0.357 13.714 64 HD1 PHE 11 HD1 PHE 11 13.509 2.669 13.357 65 HD2 PHE 11 HD2 PHE 11 9.444 1.637 12.464 66 HE1 PHE 11 HE1 PHE 11 12.912 5.050 13.277 67 HE2 PHE 11 HE2 PHE 11 8.867 4.026 12.387 68 HZ PHE 11 HZ PHE 11 10.596 5.731 12.792 69 H ASN 12 H ASN 12 14.401 -1.313 12.419 70 HA ASN 12 HA ASN 12 16.381 0.737 12.163 71 1HB ASN 12 2HB ASN 12 16.503 -1.099 13.831 72 2HB ASN 12 1HB ASN 12 16.769 -2.238 12.510 73 1HD2 ASN 12 2HD2 ASN 12 20.164 -1.589 12.280 74 2HD2 ASN 12 1HD2 ASN 12 18.802 -2.579 11.887 75 H SER 13 H SER 13 15.273 -1.931 10.198 76 HA SER 13 HA SER 13 17.368 -2.176 8.377 77 1HB SER 13 2HB SER 13 14.563 -2.362 7.410 78 2HB SER 13 1HB SER 13 15.923 -3.453 7.142 79 HG SER 13 HG SER 13 15.483 -4.485 8.951 80 H LEU 14 H LEU 14 15.051 0.360 8.761 81 HA LEU 14 HA LEU 14 15.395 1.361 6.062 82 1HB LEU 14 2HB LEU 14 14.155 3.034 8.186 83 2HB LEU 14 1HB LEU 14 13.718 2.862 6.491 84 HG LEU 14 HG LEU 14 13.226 0.830 8.681 85 1HD1 LEU 14 3HD1 LEU 14 11.366 2.695 7.202 86 2HD1 LEU 14 2HD1 LEU 14 10.812 1.319 8.155 87 3HD1 LEU 14 1HD1 LEU 14 11.685 2.639 8.939 88 1HD2 LEU 14 2HD2 LEU 14 13.694 -0.195 6.457 89 2HD2 LEU 14 1HD2 LEU 14 12.050 -0.491 7.025 90 3HD2 LEU 14 3HD2 LEU 14 12.347 0.728 5.786 91 H GLN 15 H GLN 15 16.310 2.309 9.347 92 HA GLN 15 HA GLN 15 17.637 4.708 8.627 93 1HB GLN 15 2HB GLN 15 16.839 4.294 10.882 94 2HB GLN 15 1HB GLN 15 17.941 2.935 11.047 95 1HG GLN 15 2HG GLN 15 19.039 4.703 12.138 96 2HG GLN 15 1HG GLN 15 19.807 4.638 10.554 97 1HE2 GLN 15 2HD2 GLN 15 19.177 8.157 10.903 98 2HE2 GLN 15 1HD2 GLN 15 20.290 6.922 11.373 99 H ALA 16 H ALA 16 18.685 1.368 8.959 100 HA ALA 16 HA ALA 16 21.450 1.716 8.902 101 1HB ALA 16 2HB ALA 16 19.654 -0.450 8.724 102 2HB ALA 16 1HB ALA 16 20.725 -0.570 7.326 103 3HB ALA 16 3HB ALA 16 21.403 -0.517 8.953 104 H SER 17 H SER 17 19.119 2.204 6.444 105 HA SER 17 HA SER 17 20.721 1.870 4.139 106 1HB SER 17 2HB SER 17 18.947 2.785 2.966 107 2HB SER 17 1HB SER 17 18.144 2.169 4.405 108 HG SER 17 HG SER 17 18.564 4.782 3.571 109 H ALA 18 H ALA 18 20.780 4.239 6.593 110 HA ALA 18 HA ALA 18 21.582 6.520 5.138 111 1HB ALA 18 2HB ALA 18 21.889 5.636 7.987 112 2HB ALA 18 1HB ALA 18 22.667 7.113 7.417 113 3HB ALA 18 3HB ALA 18 20.912 6.949 7.327 114 H THR 19 H THR 19 23.210 3.584 5.717 115 HA THR 19 HA THR 19 25.874 4.783 5.455 116 HB THR 19 HB THR 19 26.721 2.554 5.892 117 HG1 THR 19 HG1 THR 19 24.056 1.638 6.110 118 1HG2 THR 19 3HG2 THR 19 24.850 3.899 7.695 119 2HG2 THR 19 2HG2 THR 19 25.021 2.177 8.042 120 3HG2 THR 19 1HG2 THR 19 26.446 3.219 8.028 121 H GLU 20 H GLU 20 24.113 5.051 3.250 122 HA GLU 20 HA GLU 20 24.866 3.079 1.271 123 1HB GLU 20 2HB GLU 20 22.814 5.019 1.583 124 2HB GLU 20 1HB GLU 20 23.709 5.447 0.134 125 1HG GLU 20 2HG GLU 20 23.343 3.182 -0.772 126 2HG GLU 20 1HG GLU 20 22.448 2.749 0.691 127 H TYR 21 H TYR 21 26.412 5.654 2.633 128 HA TYR 21 HA TYR 21 27.843 6.381 0.166 129 1HB TYR 21 2HB TYR 21 27.445 7.771 2.792 130 2HB TYR 21 1HB TYR 21 28.705 8.263 1.670 131 HD1 TYR 21 HD1 TYR 21 25.083 7.963 2.213 132 HD2 TYR 21 HD2 TYR 21 28.134 9.420 -0.403 133 HE1 TYR 21 HE1 TYR 21 23.404 9.263 0.969 134 HE2 TYR 21 HE2 TYR 21 26.447 10.723 -1.635 135 HH TYR 21 HH TYR 21 24.124 10.825 -2.026 136 H ILE 22 H ILE 22 28.166 4.692 3.140 137 HA ILE 22 HA ILE 22 31.065 4.906 3.180 138 HB ILE 22 HB ILE 22 29.078 3.433 4.907 139 1HG1 ILE 22 2HG1 ILE 22 29.312 6.014 5.002 140 2HG1 ILE 22 1HG1 ILE 22 29.365 5.128 6.533 141 1HG2 ILE 22 3HG2 ILE 22 32.077 3.371 4.932 142 2HG2 ILE 22 2HG2 ILE 22 31.203 3.262 6.460 143 3HG2 ILE 22 1HG2 ILE 22 30.926 2.061 5.196 144 1HD1 ILE 22 1HD1 ILE 22 32.045 5.291 5.622 145 2HD1 ILE 22 3HD1 ILE 22 31.332 6.891 5.399 146 3HD1 ILE 22 2HD1 ILE 22 31.305 6.124 6.986 147 H GLY 23 H GLY 23 28.863 3.024 1.504 148 1HA GLY 23 2HA GLY 23 30.196 0.487 1.605 149 2HA GLY 23 1HA GLY 23 28.956 0.975 0.450 150 H TYR 24 H TYR 24 30.214 3.247 -0.617 151 HA TYR 24 HA TYR 24 31.950 2.041 -2.537 152 1HB TYR 24 2HB TYR 24 31.453 4.973 -2.046 153 2HB TYR 24 1HB TYR 24 32.101 4.248 -3.508 154 HD1 TYR 24 HD2 TYR 24 30.610 2.561 -4.757 155 HD2 TYR 24 HD1 TYR 24 29.108 5.277 -1.810 156 HE1 TYR 24 HE2 TYR 24 28.334 2.284 -5.647 157 HE2 TYR 24 HE1 TYR 24 26.842 4.987 -2.710 158 HH TYR 24 HH TYR 24 26.123 2.622 -5.194 159 H ALA 25 H ALA 25 32.416 3.909 0.378 160 HA ALA 25 HA ALA 25 35.092 4.696 0.017 161 1HB ALA 25 3HB ALA 25 33.345 5.296 1.876 162 2HB ALA 25 2HB ALA 25 34.055 3.914 2.714 163 3HB ALA 25 1HB ALA 25 35.068 5.285 2.258 164 H TRP 26 H TRP 26 33.676 1.627 0.742 165 HA TRP 26 HA TRP 26 35.843 0.348 2.000 166 1HB TRP 26 2HB TRP 26 33.299 -0.407 0.906 167 2HB TRP 26 1HB TRP 26 34.524 -1.546 0.377 168 HD1 TRP 26 1HD TRP 26 32.348 -0.769 3.289 169 HE1 TRP 26 1HE TRP 26 33.029 -2.186 5.294 170 HE3 TRP 26 3HE TRP 26 36.829 -2.589 1.606 171 HZ2 TRP 26 2HZ TRP 26 35.139 -3.858 6.095 172 HZ3 TRP 26 3HZ TRP 26 38.128 -4.103 3.050 173 HH2 TRP 26 HH2 TRP 26 37.293 -4.732 5.274 174 H ALA 27 H ALA 27 35.072 0.897 -1.389 175 HA ALA 27 HA ALA 27 37.115 -0.766 -2.469 176 1HB ALA 27 3HB ALA 27 35.130 1.122 -3.457 177 2HB ALA 27 2HB ALA 27 36.656 1.232 -4.337 178 3HB ALA 27 1HB ALA 27 35.806 -0.311 -4.235 179 H MET 28 H MET 28 36.896 2.741 -1.934 180 HA MET 28 HA MET 28 39.446 3.430 -2.840 181 1HB MET 28 2HB MET 28 37.328 4.685 -1.273 182 2HB MET 28 1HB MET 28 38.923 5.188 -0.752 183 1HG MET 28 2HG MET 28 37.761 6.581 -2.583 184 2HG MET 28 1HG MET 28 39.443 6.151 -2.842 185 1HE MET 28 3HE MET 28 37.797 7.317 -4.866 186 2HE MET 28 2HE MET 28 39.025 6.524 -5.852 187 3HE MET 28 1HE MET 28 37.319 6.293 -6.228 188 H VAL 29 H VAL 29 38.324 2.451 0.363 189 HA VAL 29 HA VAL 29 40.613 2.850 1.861 190 HB VAL 29 HB VAL 29 38.495 0.713 2.001 191 1HG1 VAL 29 3HG1 VAL 29 40.861 1.206 3.743 192 2HG1 VAL 29 2HG1 VAL 29 39.340 0.711 4.491 193 3HG1 VAL 29 1HG1 VAL 29 40.100 -0.316 3.273 194 1HG2 VAL 29 3HG2 VAL 29 38.372 3.424 2.488 195 2HG2 VAL 29 2HG2 VAL 29 37.250 2.210 3.106 196 3HG2 VAL 29 1HG2 VAL 29 38.615 2.736 4.095 197 H VAL 30 H VAL 30 39.907 0.395 -0.519 198 HA VAL 30 HA VAL 30 42.102 -1.319 0.186 199 HB VAL 30 HB VAL 30 40.309 -1.181 -2.234 200 1HG1 VAL 30 3HG1 VAL 30 42.508 -3.056 -1.471 201 2HG1 VAL 30 2HG1 VAL 30 41.143 -3.623 -2.436 202 3HG1 VAL 30 1HG1 VAL 30 42.163 -2.313 -3.032 203 1HG2 VAL 30 2HG2 VAL 30 40.038 -2.324 0.434 204 2HG2 VAL 30 1HG2 VAL 30 38.811 -2.025 -0.799 205 3HG2 VAL 30 3HG2 VAL 30 39.772 -3.505 -0.851 206 H VAL 31 H VAL 31 41.472 1.263 -2.126 207 HA VAL 31 HA VAL 31 43.859 0.934 -3.631 208 HB VAL 31 HB VAL 31 41.969 3.256 -3.305 209 1HG1 VAL 31 3HG1 VAL 31 44.551 3.176 -4.516 210 2HG1 VAL 31 2HG1 VAL 31 43.328 3.393 -5.768 211 3HG1 VAL 31 1HG1 VAL 31 43.413 4.520 -4.412 212 1HG2 VAL 31 3HG2 VAL 31 41.370 0.915 -4.418 213 2HG2 VAL 31 2HG2 VAL 31 40.788 2.441 -5.090 214 3HG2 VAL 31 1HG2 VAL 31 42.195 1.645 -5.797 215 H ILE 32 H ILE 32 43.058 2.479 -0.665 216 HA ILE 32 HA ILE 32 45.381 4.190 -0.568 217 HB ILE 32 HB ILE 32 43.414 3.367 1.568 218 1HG1 ILE 32 2HG1 ILE 32 43.615 5.858 -0.132 219 2HG1 ILE 32 1HG1 ILE 32 42.368 4.617 -0.234 220 1HG2 ILE 32 2HG2 ILE 32 45.550 4.074 2.533 221 2HG2 ILE 32 1HG2 ILE 32 45.483 5.568 1.594 222 3HG2 ILE 32 3HG2 ILE 32 44.281 5.261 2.850 223 1HD1 ILE 32 3HD1 ILE 32 42.902 6.330 2.203 224 2HD1 ILE 32 2HD1 ILE 32 41.618 6.619 1.027 225 3HD1 ILE 32 1HD1 ILE 32 41.599 5.156 2.013 226 H VAL 33 H VAL 33 44.620 0.915 0.237 227 HA VAL 33 HA VAL 33 46.839 0.573 2.058 228 HB VAL 33 HB VAL 33 44.657 -1.144 0.934 229 1HG1 VAL 33 2HG1 VAL 33 47.249 -2.070 2.011 230 2HG1 VAL 33 1HG1 VAL 33 45.800 -2.891 2.597 231 3HG1 VAL 33 3HG1 VAL 33 46.147 -2.840 0.869 232 1HG2 VAL 33 3HG2 VAL 33 45.489 -0.191 3.655 233 2HG2 VAL 33 2HG2 VAL 33 43.950 0.036 2.821 234 3HG2 VAL 33 1HG2 VAL 33 44.385 -1.554 3.455 235 H GLY 34 H GLY 34 46.021 -0.072 -1.305 236 1HA GLY 34 2HA GLY 34 48.258 -1.718 -1.913 237 2HA GLY 34 1HA GLY 34 47.258 -0.856 -3.084 238 H ALA 35 H ALA 35 47.627 1.725 -2.663 239 HA ALA 35 HA ALA 35 50.054 2.403 -3.790 240 1HB ALA 35 3HB ALA 35 48.098 3.935 -2.107 241 2HB ALA 35 2HB ALA 35 49.606 4.692 -2.626 242 3HB ALA 35 1HB ALA 35 48.457 4.101 -3.827 243 H THR 36 H THR 36 49.264 1.763 -0.473 244 HA THR 36 HA THR 36 51.649 2.847 0.696 245 HB THR 36 HB THR 36 49.487 0.973 1.643 246 HG1 THR 36 HG1 THR 36 50.173 3.673 2.107 247 1HG2 THR 36 1HG2 THR 36 51.953 1.884 3.108 248 2HG2 THR 36 3HG2 THR 36 50.489 1.362 3.944 249 3HG2 THR 36 2HG2 THR 36 51.353 0.237 2.892 250 H ILE 37 H ILE 37 50.543 -0.445 -0.107 251 HA ILE 37 HA ILE 37 52.910 -1.767 0.699 252 HB ILE 37 HB ILE 37 50.809 -2.560 -1.310 253 1HG1 ILE 37 2HG1 ILE 37 51.151 -3.320 1.576 254 2HG1 ILE 37 1HG1 ILE 37 49.983 -2.151 0.975 255 1HG2 ILE 37 1HG2 ILE 37 53.169 -4.009 -0.198 256 2HG2 ILE 37 3HG2 ILE 37 51.690 -4.907 -0.546 257 3HG2 ILE 37 2HG2 ILE 37 52.509 -4.023 -1.835 258 1HD1 ILE 37 3HD1 ILE 37 49.436 -4.296 -0.612 259 2HD1 ILE 37 2HD1 ILE 37 49.931 -5.100 0.879 260 3HD1 ILE 37 1HD1 ILE 37 48.596 -3.945 0.900 261 H GLY 38 H GLY 38 52.025 -0.044 -2.181 262 1HA GLY 38 2HA GLY 38 53.943 -1.108 -3.974 263 2HA GLY 38 1HA GLY 38 53.156 0.464 -4.113 264 H ILE 39 H ILE 39 53.944 1.887 -2.086 265 HA ILE 39 HA ILE 39 56.631 2.570 -2.704 266 HB ILE 39 HB ILE 39 54.839 3.470 -0.450 267 1HG1 ILE 39 2HG1 ILE 39 55.325 5.326 -2.641 268 2HG1 ILE 39 1HG1 ILE 39 54.524 3.854 -3.179 269 1HG2 ILE 39 3HG2 ILE 39 57.392 4.604 -1.559 270 2HG2 ILE 39 2HG2 ILE 39 56.317 5.468 -0.459 271 3HG2 ILE 39 1HG2 ILE 39 57.116 3.985 0.068 272 1HD1 ILE 39 2HD1 ILE 39 53.137 4.421 -0.895 273 2HD1 ILE 39 1HD1 ILE 39 53.508 6.038 -1.498 274 3HD1 ILE 39 3HD1 ILE 39 52.632 4.894 -2.518 275 H LYS 40 H LYS 40 55.111 1.094 0.161 276 HA LYS 40 HA LYS 40 57.318 0.905 1.810 277 1HB LYS 40 2HB LYS 40 54.798 0.211 2.106 278 2HB LYS 40 1HB LYS 40 55.400 -1.370 1.628 279 1HG LYS 40 2HG LYS 40 55.971 -1.664 3.771 280 2HG LYS 40 1HG LYS 40 57.238 -0.469 3.509 281 1HD LYS 40 2HD LYS 40 54.467 0.467 4.100 282 2HD LYS 40 1HD LYS 40 55.441 -0.157 5.430 283 1HE LYS 40 2HE LYS 40 55.896 2.272 3.712 284 2HE LYS 40 1HE LYS 40 55.895 2.146 5.470 285 1HZ LYS 40 2HZ LYS 40 57.934 0.667 5.117 286 2HZ LYS 40 1HZ LYS 40 58.003 1.362 3.569 287 3HZ LYS 40 3HZ LYS 40 58.114 2.347 4.945 288 H LEU 41 H LEU 41 56.253 -1.284 -0.758 289 HA LEU 41 HA LEU 41 58.170 -3.304 -0.394 290 1HB LEU 41 2HB LEU 41 56.424 -2.403 -2.632 291 2HB LEU 41 1HB LEU 41 57.723 -3.528 -3.004 292 HG LEU 41 HG LEU 41 55.542 -3.921 -0.950 293 1HD1 LEU 41 1HD1 LEU 41 55.597 -4.396 -3.747 294 2HD1 LEU 41 3HD1 LEU 41 55.620 -5.962 -2.933 295 3HD1 LEU 41 2HD1 LEU 41 54.330 -4.807 -2.588 296 1HD2 LEU 41 1HD2 LEU 41 58.109 -5.272 -1.329 297 2HD2 LEU 41 3HD2 LEU 41 56.989 -5.327 0.033 298 3HD2 LEU 41 2HD2 LEU 41 56.732 -6.373 -1.364 299 H PHE 42 H PHE 42 58.359 -0.193 -1.980 300 HA PHE 42 HA PHE 42 60.747 -0.697 -3.456 301 1HB PHE 42 2HB PHE 42 58.965 1.163 -3.747 302 2HB PHE 42 1HB PHE 42 59.902 2.025 -2.535 303 HD1 PHE 42 HD2 PHE 42 60.036 0.490 -5.897 304 HD2 PHE 42 HD1 PHE 42 61.954 3.070 -3.089 305 HE1 PHE 42 HE2 PHE 42 61.590 1.247 -7.654 306 HE2 PHE 42 HE1 PHE 42 63.507 3.826 -4.845 307 HZ PHE 42 HZ PHE 42 63.327 2.916 -7.127 308 H LYS 43 H LYS 43 60.149 1.132 -0.449 309 HA LYS 43 HA LYS 43 62.771 1.813 0.143 310 1HB LYS 43 2HB LYS 43 60.389 1.287 1.889 311 2HB LYS 43 1HB LYS 43 61.914 1.926 2.509 312 1HG LYS 43 2HG LYS 43 61.026 3.296 0.094 313 2HG LYS 43 1HG LYS 43 59.842 3.388 1.381 314 1HD LYS 43 2HD LYS 43 61.475 4.354 2.910 315 2HD LYS 43 1HD LYS 43 62.758 4.127 1.726 316 1HE LYS 43 2HE LYS 43 60.772 6.278 1.966 317 2HE LYS 43 1HE LYS 43 62.361 6.282 1.203 318 1HZ LYS 43 1HZ LYS 43 59.876 5.164 0.014 319 2HZ LYS 43 3HZ LYS 43 60.595 6.642 -0.404 320 3HZ LYS 43 2HZ LYS 43 61.406 5.184 -0.723 321 H LYS 44 H LYS 44 61.286 -1.291 0.287 322 HA LYS 44 HA LYS 44 63.217 -2.353 2.190 323 1HB LYS 44 2HB LYS 44 60.602 -3.004 1.514 324 2HB LYS 44 1HB LYS 44 61.560 -4.305 0.823 325 1HG LYS 44 2HG LYS 44 61.615 -3.410 3.715 326 2HG LYS 44 1HG LYS 44 60.817 -4.846 3.078 327 1HD LYS 44 2HD LYS 44 62.879 -5.785 3.802 328 2HD LYS 44 1HD LYS 44 63.240 -5.395 2.117 329 1HE LYS 44 2HE LYS 44 64.912 -4.719 4.040 330 2HE LYS 44 1HE LYS 44 64.619 -3.574 2.729 331 1HZ LYS 44 3HZ LYS 44 63.078 -3.542 5.264 332 2HZ LYS 44 2HZ LYS 44 64.530 -2.683 5.067 333 3HZ LYS 44 1HZ LYS 44 63.187 -2.321 4.093 334 H PHE 45 H PHE 45 62.214 -3.123 -1.152 335 HA PHE 45 HA PHE 45 64.338 -4.877 -1.708 336 1HB PHE 45 2HB PHE 45 62.341 -3.351 -3.293 337 2HB PHE 45 1HB PHE 45 63.715 -4.028 -4.136 338 HD1 PHE 45 HD2 PHE 45 64.150 -6.533 -3.995 339 HD2 PHE 45 HD1 PHE 45 60.514 -4.740 -2.591 340 HE1 PHE 45 HE2 PHE 45 63.039 -8.722 -4.037 341 HE2 PHE 45 HE1 PHE 45 59.425 -6.940 -2.641 342 HZ PHE 45 HZ PHE 45 60.681 -8.930 -3.362 343 H THR 46 H THR 46 64.005 -1.389 -2.079 344 HA THR 46 HA THR 46 66.570 -1.146 -3.403 345 HB THR 46 HB THR 46 66.034 1.183 -3.541 346 HG1 THR 46 HG1 THR 46 65.134 1.732 -1.648 347 1HG2 THR 46 1HG2 THR 46 64.491 -0.846 -4.645 348 2HG2 THR 46 3HG2 THR 46 63.313 0.327 -4.049 349 3HG2 THR 46 2HG2 THR 46 64.564 0.833 -5.188 350 H SER 47 H SER 47 65.971 -1.913 -0.370 351 HA SER 47 HA SER 47 68.377 -0.668 0.622 352 1HB SER 47 2HB SER 47 65.803 0.483 1.218 353 2HB SER 47 1HB SER 47 66.567 -0.102 2.690 354 HG SER 47 HG SER 47 67.643 1.704 0.764 355 H LYS 48 H LYS 48 67.646 -3.353 0.141 356 HA LYS 48 HA LYS 48 66.650 -4.820 2.243 357 1HB LYS 48 2HB LYS 48 68.572 -5.333 0.049 358 2HB LYS 48 1HB LYS 48 68.620 -6.463 1.398 359 1HG LYS 48 2HG LYS 48 66.255 -6.976 1.098 360 2HG LYS 48 1HG LYS 48 66.134 -5.762 -0.183 361 1HD LYS 48 2HD LYS 48 67.846 -7.053 -1.465 362 2HD LYS 48 1HD LYS 48 67.779 -8.295 -0.223 363 1HE LYS 48 2HE LYS 48 65.182 -8.218 -0.758 364 2HE LYS 48 1HE LYS 48 65.749 -7.563 -2.293 365 1HZ LYS 48 3HZ LYS 48 66.734 -10.096 -1.108 366 2HZ LYS 48 2HZ LYS 48 65.481 -10.009 -2.252 367 3HZ LYS 48 1HZ LYS 48 67.050 -9.500 -2.663 368 H ALA 49 H ALA 49 70.051 -3.954 1.680 369 HA ALA 49 HA ALA 49 71.857 -3.845 3.088 370 1HB ALA 49 3HB ALA 49 69.578 -2.685 4.556 371 2HB ALA 49 2HB ALA 49 70.952 -3.163 5.555 372 3HB ALA 49 1HB ALA 49 71.178 -2.015 4.234 373 H SER 50 H SER 50 72.332 -6.064 3.014 374 HA SER 50 HA SER 50 72.522 -7.374 5.484 375 1HB SER 50 2HB SER 50 69.969 -7.587 4.622 376 2HB SER 50 1HB SER 50 70.678 -8.997 3.843 377 HG SER 50 HG SER 50 70.346 -9.844 5.778 No H/Q in entry = 377 Start of MODEL 8 1 1H ALA 1 2H ALA 1 54.821 6.166 18.113 2 2H ALA 1 1H ALA 1 53.442 7.122 18.378 3 3H ALA 1 3H ALA 1 54.473 6.749 19.671 4 HA ALA 1 HA ALA 1 53.881 4.473 19.629 5 1HB ALA 1 1HB ALA 1 52.294 6.019 20.786 6 2HB ALA 1 3HB ALA 1 51.363 6.134 19.292 7 3HB ALA 1 2HB ALA 1 51.487 4.588 20.134 8 H GLU 2 H GLU 2 54.538 3.420 17.753 9 HA GLU 2 HA GLU 2 54.204 2.152 15.873 10 1HB GLU 2 2HB GLU 2 51.693 2.301 17.106 11 2HB GLU 2 1HB GLU 2 51.402 2.675 15.408 12 1HG GLU 2 2HG GLU 2 51.371 0.436 15.125 13 2HG GLU 2 1HG GLU 2 53.128 0.552 15.230 14 H GLY 3 H GLY 3 55.321 3.315 14.394 15 1HA GLY 3 2HA GLY 3 55.715 4.623 12.556 16 2HA GLY 3 1HA GLY 3 53.979 4.541 12.257 17 H ASP 4 H ASP 4 55.977 6.777 12.059 18 HA ASP 4 HA ASP 4 55.615 8.680 14.084 19 1HB ASP 4 2HB ASP 4 57.100 8.601 11.852 20 2HB ASP 4 1HB ASP 4 55.796 9.644 11.285 21 H ASP 5 H ASP 5 53.499 7.600 11.567 22 HA ASP 5 HA ASP 5 51.796 9.647 11.024 23 1HB ASP 5 2HB ASP 5 51.699 7.083 10.454 24 2HB ASP 5 1HB ASP 5 50.583 7.035 11.818 25 HA PRO 6 HA PRO 6 50.453 10.487 15.276 26 1HB PRO 6 2HB PRO 6 50.305 13.174 14.997 27 2HB PRO 6 1HB PRO 6 51.814 12.313 15.335 28 1HG PRO 6 2HG PRO 6 50.945 13.641 12.876 29 2HG PRO 6 1HG PRO 6 52.572 13.172 13.390 30 1HD PRO 6 2HD PRO 6 50.836 11.821 11.541 31 2HD PRO 6 1HD PRO 6 52.484 11.382 12.026 32 H ALA 7 H ALA 7 49.060 11.327 12.212 33 HA ALA 7 HA ALA 7 46.671 12.552 13.029 34 1HB ALA 7 2HB ALA 7 47.498 11.010 10.597 35 2HB ALA 7 1HB ALA 7 45.818 11.511 10.802 36 3HB ALA 7 3HB ALA 7 47.101 12.723 10.752 37 H LYS 8 H LYS 8 47.712 9.296 13.350 38 HA LYS 8 HA LYS 8 45.547 7.690 13.156 39 1HB LYS 8 2HB LYS 8 46.515 6.311 14.833 40 2HB LYS 8 1HB LYS 8 47.837 7.074 13.967 41 1HG LYS 8 2HG LYS 8 48.214 8.635 15.733 42 2HG LYS 8 1HG LYS 8 46.727 8.176 16.559 43 1HD LYS 8 2HD LYS 8 49.331 6.672 16.343 44 2HD LYS 8 1HD LYS 8 48.418 7.090 17.785 45 1HE LYS 8 2HE LYS 8 47.780 4.936 15.752 46 2HE LYS 8 1HE LYS 8 48.184 4.731 17.454 47 1HZ LYS 8 2HZ LYS 8 45.801 6.270 16.626 48 2HZ LYS 8 1HZ LYS 8 45.751 4.580 16.780 49 3HZ LYS 8 3HZ LYS 8 46.131 5.541 18.124 50 H ALA 9 H ALA 9 46.076 10.150 15.594 51 HA ALA 9 HA ALA 9 43.874 9.376 17.267 52 1HB ALA 9 1HB ALA 9 45.534 11.890 17.083 53 2HB ALA 9 3HB ALA 9 44.237 11.671 18.260 54 3HB ALA 9 2HB ALA 9 45.645 10.608 18.291 55 H ALA 10 H ALA 10 44.374 12.306 15.295 56 HA ALA 10 HA ALA 10 41.725 13.186 15.319 57 1HB ALA 10 3HB ALA 10 43.968 13.610 13.353 58 2HB ALA 10 2HB ALA 10 42.398 14.399 13.185 59 3HB ALA 10 1HB ALA 10 43.394 14.710 14.608 60 H PHE 11 H PHE 11 43.305 10.775 13.349 61 HA PHE 11 HA PHE 11 41.386 10.586 11.278 62 1HB PHE 11 2HB PHE 11 43.795 9.345 11.879 63 2HB PHE 11 1HB PHE 11 42.620 8.045 11.980 64 HD1 PHE 11 HD2 PHE 11 40.924 7.866 10.002 65 HD2 PHE 11 HD1 PHE 11 44.662 9.946 9.761 66 HE1 PHE 11 HE2 PHE 11 40.879 7.686 7.549 67 HE2 PHE 11 HE1 PHE 11 44.599 9.759 7.312 68 HZ PHE 11 HZ PHE 11 42.712 8.631 6.205 69 H ASN 12 H ASN 12 41.715 8.901 14.376 70 HA ASN 12 HA ASN 12 39.395 7.260 13.994 71 1HB ASN 12 2HB ASN 12 41.461 6.905 15.545 72 2HB ASN 12 1HB ASN 12 40.544 7.889 16.687 73 1HD2 ASN 12 2HD2 ASN 12 38.596 5.222 17.703 74 2HD2 ASN 12 1HD2 ASN 12 39.340 6.746 18.032 75 H SER 13 H SER 13 40.062 10.275 15.729 76 HA SER 13 HA SER 13 37.444 10.471 16.876 77 1HB SER 13 2HB SER 13 38.779 13.014 16.626 78 2HB SER 13 1HB SER 13 38.396 12.089 18.078 79 HG SER 13 HG SER 13 40.718 12.001 16.476 80 H LEU 14 H LEU 14 38.988 11.724 13.961 81 HA LEU 14 HA LEU 14 36.891 13.517 13.264 82 1HB LEU 14 2HB LEU 14 39.146 13.759 12.360 83 2HB LEU 14 1HB LEU 14 38.993 12.205 11.547 84 HG LEU 14 HG LEU 14 36.900 13.249 10.415 85 1HD1 LEU 14 3HD1 LEU 14 36.773 15.253 11.860 86 2HD1 LEU 14 2HD1 LEU 14 38.323 15.802 11.217 87 3HD1 LEU 14 1HD1 LEU 14 36.921 15.676 10.155 88 1HD2 LEU 14 2HD2 LEU 14 39.734 14.036 9.729 89 2HD2 LEU 14 1HD2 LEU 14 38.729 12.782 8.991 90 3HD2 LEU 14 3HD2 LEU 14 38.366 14.486 8.714 91 H GLN 15 H GLN 15 37.626 10.167 12.400 92 HA GLN 15 HA GLN 15 35.739 9.738 10.414 93 1HB GLN 15 2HB GLN 15 37.447 8.101 11.051 94 2HB GLN 15 1HB GLN 15 36.616 7.822 12.578 95 1HG GLN 15 2HG GLN 15 34.564 7.272 11.051 96 2HG GLN 15 1HG GLN 15 35.790 7.038 9.805 97 1HE2 GLN 15 2HD2 GLN 15 36.063 3.742 10.899 98 2HE2 GLN 15 1HD2 GLN 15 35.649 4.841 9.631 99 H ALA 16 H ALA 16 35.339 9.806 13.909 100 HA ALA 16 HA ALA 16 32.651 8.840 13.915 101 1HB ALA 16 1HB ALA 16 34.246 8.790 15.868 102 2HB ALA 16 3HB ALA 16 33.969 10.524 16.039 103 3HB ALA 16 2HB ALA 16 32.628 9.394 16.234 104 H SER 17 H SER 17 34.013 11.823 13.057 105 HA SER 17 HA SER 17 31.478 13.250 13.528 106 1HB SER 17 2HB SER 17 32.710 15.287 13.351 107 2HB SER 17 1HB SER 17 33.613 14.225 14.426 108 HG SER 17 HG SER 17 35.048 15.099 12.931 109 H ALA 18 H ALA 18 33.739 12.214 11.074 110 HA ALA 18 HA ALA 18 32.143 13.485 8.963 111 1HB ALA 18 1HB ALA 18 34.914 12.349 9.093 112 2HB ALA 18 3HB ALA 18 34.096 12.539 7.541 113 3HB ALA 18 2HB ALA 18 34.391 13.949 8.562 114 H THR 19 H THR 19 30.519 11.800 9.729 115 HA THR 19 HA THR 19 30.922 9.074 9.037 116 HB THR 19 HB THR 19 29.235 10.017 10.688 117 HG1 THR 19 HG1 THR 19 28.543 8.054 10.577 118 1HG2 THR 19 2HG2 THR 19 27.735 10.505 8.110 119 2HG2 THR 19 1HG2 THR 19 26.925 10.299 9.661 120 3HG2 THR 19 3HG2 THR 19 28.037 11.646 9.422 121 H GLU 20 H GLU 20 30.626 11.701 7.026 122 HA GLU 20 HA GLU 20 29.003 10.478 4.984 123 1HB GLU 20 2HB GLU 20 30.022 13.065 5.566 124 2HB GLU 20 1HB GLU 20 30.644 12.609 3.988 125 1HG GLU 20 2HG GLU 20 28.311 12.118 3.246 126 2HG GLU 20 1HG GLU 20 27.727 12.698 4.811 127 H TYR 21 H TYR 21 32.012 9.811 6.075 128 HA TYR 21 HA TYR 21 33.175 9.270 3.434 129 1HB TYR 21 2HB TYR 21 34.257 9.576 6.193 130 2HB TYR 21 1HB TYR 21 35.146 8.590 5.042 131 HD1 TYR 21 HD2 TYR 21 33.466 11.913 5.299 132 HD2 TYR 21 HD1 TYR 21 36.741 9.689 3.673 133 HE1 TYR 21 HE2 TYR 21 34.411 13.980 4.350 134 HE2 TYR 21 HE1 TYR 21 37.671 11.761 2.734 135 HH TYR 21 HH TYR 21 36.220 14.317 2.101 136 H ILE 22 H ILE 22 31.227 7.694 5.586 137 HA ILE 22 HA ILE 22 32.538 5.089 5.390 138 HB ILE 22 HB ILE 22 29.888 5.877 6.582 139 1HG1 ILE 22 2HG1 ILE 22 32.631 5.621 7.898 140 2HG1 ILE 22 1HG1 ILE 22 31.512 6.988 7.947 141 1HG2 ILE 22 3HG2 ILE 22 29.948 3.524 5.971 142 2HG2 ILE 22 2HG2 ILE 22 31.448 3.294 6.871 143 3HG2 ILE 22 1HG2 ILE 22 29.957 3.693 7.729 144 1HD1 ILE 22 3HD1 ILE 22 31.047 4.286 9.233 145 2HD1 ILE 22 2HD1 ILE 22 31.525 5.764 10.071 146 3HD1 ILE 22 1HD1 ILE 22 29.942 5.662 9.296 147 H GLY 23 H GLY 23 32.425 5.066 3.114 148 1HA GLY 23 2HA GLY 23 30.660 3.361 1.955 149 2HA GLY 23 1HA GLY 23 29.895 4.936 1.734 150 H TYR 24 H TYR 24 32.100 6.542 1.345 151 HA TYR 24 HA TYR 24 32.927 5.727 -1.341 152 1HB TYR 24 2HB TYR 24 33.515 8.357 -0.020 153 2HB TYR 24 1HB TYR 24 33.403 7.993 -1.734 154 HD1 TYR 24 HD1 TYR 24 31.107 7.215 -2.621 155 HD2 TYR 24 HD2 TYR 24 31.620 9.240 1.120 156 HE1 TYR 24 HE1 TYR 24 28.730 7.863 -2.632 157 HE2 TYR 24 HE2 TYR 24 29.246 9.878 1.088 158 HH TYR 24 HH TYR 24 27.447 10.224 -0.743 159 H ALA 25 H ALA 25 34.234 6.393 1.836 160 HA ALA 25 HA ALA 25 36.981 6.505 1.130 161 1HB ALA 25 2HB ALA 25 36.122 7.331 3.278 162 2HB ALA 25 1HB ALA 25 35.693 5.683 3.740 163 3HB ALA 25 3HB ALA 25 37.387 6.124 3.520 164 H TRP 26 H TRP 26 34.738 3.903 1.611 165 HA TRP 26 HA TRP 26 36.554 1.795 2.117 166 1HB TRP 26 2HB TRP 26 33.744 2.084 1.604 167 2HB TRP 26 1HB TRP 26 34.386 0.787 0.609 168 HD1 TRP 26 1HD TRP 26 33.571 1.665 4.225 169 HE1 TRP 26 1HE TRP 26 33.922 -0.416 5.662 170 HE3 TRP 26 3HE TRP 26 35.861 -1.399 0.820 171 HZ2 TRP 26 2HZ TRP 26 35.002 -2.995 5.437 172 HZ3 TRP 26 3HZ TRP 26 36.529 -3.668 1.503 173 HH2 TRP 26 HH2 TRP 26 36.105 -4.462 3.791 174 H ALA 27 H ALA 27 35.142 3.046 -0.883 175 HA ALA 27 HA ALA 27 36.336 1.232 -2.668 176 1HB ALA 27 2HB ALA 27 34.719 3.560 -2.829 177 2HB ALA 27 1HB ALA 27 36.109 3.809 -3.888 178 3HB ALA 27 3HB ALA 27 35.078 2.394 -4.106 179 H MET 28 H MET 28 37.560 4.069 -1.065 180 HA MET 28 HA MET 28 39.939 4.234 -2.719 181 1HB MET 28 2HB MET 28 38.664 5.848 -0.621 182 2HB MET 28 1HB MET 28 40.411 5.801 -0.513 183 1HG MET 28 2HG MET 28 38.748 6.717 -2.866 184 2HG MET 28 1HG MET 28 39.776 7.702 -1.839 185 1HE MET 28 3HE MET 28 42.165 7.335 -1.485 186 2HE MET 28 2HE MET 28 43.307 6.899 -2.753 187 3HE MET 28 1HE MET 28 42.365 8.382 -2.897 188 H VAL 29 H VAL 29 39.081 3.260 0.571 189 HA VAL 29 HA VAL 29 41.585 2.723 1.610 190 HB VAL 29 HB VAL 29 38.944 1.334 2.030 191 1HG1 VAL 29 2HG1 VAL 29 41.593 0.710 3.086 192 2HG1 VAL 29 1HG1 VAL 29 40.375 0.967 4.337 193 3HG1 VAL 29 3HG1 VAL 29 40.114 -0.253 3.089 194 1HG2 VAL 29 1HG2 VAL 29 39.638 3.881 2.647 195 2HG2 VAL 29 3HG2 VAL 29 38.458 2.928 3.550 196 3HG2 VAL 29 2HG2 VAL 29 40.126 3.037 4.119 197 H VAL 30 H VAL 30 39.511 0.654 -0.390 198 HA VAL 30 HA VAL 30 41.063 -1.670 -0.309 199 HB VAL 30 HB VAL 30 39.314 -0.651 -2.540 200 1HG1 VAL 30 3HG1 VAL 30 40.530 -3.286 -1.873 201 2HG1 VAL 30 2HG1 VAL 30 38.962 -3.235 -2.681 202 3HG1 VAL 30 1HG1 VAL 30 40.369 -2.484 -3.434 203 1HG2 VAL 30 2HG2 VAL 30 38.652 -1.312 0.144 204 2HG2 VAL 30 1HG2 VAL 30 37.566 -0.908 -1.187 205 3HG2 VAL 30 3HG2 VAL 30 38.024 -2.587 -0.903 206 H VAL 31 H VAL 31 41.169 1.122 -2.494 207 HA VAL 31 HA VAL 31 43.134 0.018 -4.227 208 HB VAL 31 HB VAL 31 42.253 2.862 -3.785 209 1HG1 VAL 31 2HG1 VAL 31 44.251 1.650 -5.538 210 2HG1 VAL 31 1HG1 VAL 31 43.080 2.670 -6.377 211 3HG1 VAL 31 3HG1 VAL 31 44.036 3.332 -5.049 212 1HG2 VAL 31 1HG2 VAL 31 40.774 0.749 -4.749 213 2HG2 VAL 31 3HG2 VAL 31 40.469 2.454 -5.090 214 3HG2 VAL 31 2HG2 VAL 31 41.413 1.482 -6.222 215 H ILE 32 H ILE 32 43.341 1.313 -1.107 216 HA ILE 32 HA ILE 32 46.115 2.206 -1.471 217 HB ILE 32 HB ILE 32 44.235 2.451 0.872 218 1HG1 ILE 32 2HG1 ILE 32 45.269 4.446 -1.146 219 2HG1 ILE 32 1HG1 ILE 32 43.609 3.891 -0.962 220 1HG2 ILE 32 3HG2 ILE 32 47.068 3.436 0.525 221 2HG2 ILE 32 2HG2 ILE 32 45.974 3.978 1.801 222 3HG2 ILE 32 1HG2 ILE 32 46.477 2.287 1.728 223 1HD1 ILE 32 3HD1 ILE 32 43.550 4.888 1.306 224 2HD1 ILE 32 2HD1 ILE 32 45.190 5.493 1.061 225 3HD1 ILE 32 1HD1 ILE 32 43.868 6.092 0.056 226 H VAL 33 H VAL 33 44.206 -0.194 0.311 227 HA VAL 33 HA VAL 33 46.015 -1.252 2.040 228 HB VAL 33 HB VAL 33 44.186 -2.892 0.301 229 1HG1 VAL 33 3HG1 VAL 33 45.722 -4.155 1.701 230 2HG1 VAL 33 2HG1 VAL 33 45.182 -3.250 3.116 231 3HG1 VAL 33 1HG1 VAL 33 44.063 -4.324 2.275 232 1HG2 VAL 33 3HG2 VAL 33 43.566 -0.821 2.257 233 2HG2 VAL 33 2HG2 VAL 33 42.510 -1.639 1.101 234 3HG2 VAL 33 1HG2 VAL 33 42.850 -2.381 2.665 235 H GLY 34 H GLY 34 45.807 -1.863 -1.444 236 1HA GLY 34 2HA GLY 34 48.081 -3.697 -1.344 237 2HA GLY 34 1HA GLY 34 47.124 -3.290 -2.771 238 H ALA 35 H ALA 35 47.276 -0.674 -3.090 239 HA ALA 35 HA ALA 35 49.746 -0.134 -4.204 240 1HB ALA 35 3HB ALA 35 47.397 1.199 -4.112 241 2HB ALA 35 2HB ALA 35 48.363 2.201 -3.027 242 3HB ALA 35 1HB ALA 35 48.902 1.921 -4.684 243 H THR 36 H THR 36 48.704 0.139 -0.903 244 HA THR 36 HA THR 36 50.798 1.763 0.101 245 HB THR 36 HB THR 36 48.944 -0.257 1.359 246 HG1 THR 36 HG1 THR 36 48.311 1.942 0.573 247 1HG2 THR 36 2HG2 THR 36 51.039 -0.213 2.661 248 2HG2 THR 36 1HG2 THR 36 50.899 1.542 2.804 249 3HG2 THR 36 3HG2 THR 36 49.690 0.497 3.551 250 H ILE 37 H ILE 37 50.340 -1.755 -0.029 251 HA ILE 37 HA ILE 37 52.776 -2.513 1.138 252 HB ILE 37 HB ILE 37 50.994 -3.888 -0.860 253 1HG1 ILE 37 2HG1 ILE 37 51.305 -4.158 2.115 254 2HG1 ILE 37 1HG1 ILE 37 49.943 -3.430 1.271 255 1HG2 ILE 37 3HG2 ILE 37 53.306 -4.789 -0.943 256 2HG2 ILE 37 2HG2 ILE 37 53.186 -5.148 0.780 257 3HG2 ILE 37 1HG2 ILE 37 52.115 -5.956 -0.367 258 1HD1 ILE 37 2HD1 ILE 37 49.521 -5.632 0.172 259 2HD1 ILE 37 1HD1 ILE 37 50.800 -6.330 1.166 260 3HD1 ILE 37 3HD1 ILE 37 49.345 -5.684 1.928 261 H GLY 38 H GLY 38 51.931 -1.680 -2.175 262 1HA GLY 38 2HA GLY 38 54.286 -2.545 -3.460 263 2HA GLY 38 1HA GLY 38 53.212 -1.270 -4.036 264 H ILE 39 H ILE 39 53.412 0.824 -2.840 265 HA ILE 39 HA ILE 39 55.881 1.974 -3.221 266 HB ILE 39 HB ILE 39 53.768 2.792 -1.230 267 1HG1 ILE 39 2HG1 ILE 39 53.907 4.285 -3.716 268 2HG1 ILE 39 1HG1 ILE 39 53.569 2.582 -4.001 269 1HG2 ILE 39 1HG2 ILE 39 56.109 4.231 -2.430 270 2HG2 ILE 39 3HG2 ILE 39 54.732 5.085 -1.731 271 3HG2 ILE 39 2HG2 ILE 39 55.709 4.013 -0.725 272 1HD1 ILE 39 1HD1 ILE 39 51.951 3.254 -1.833 273 2HD1 ILE 39 3HD1 ILE 39 51.843 4.645 -2.914 274 3HD1 ILE 39 2HD1 ILE 39 51.430 3.034 -3.505 275 H LYS 40 H LYS 40 54.657 0.364 -0.327 276 HA LYS 40 HA LYS 40 56.644 1.170 1.480 277 1HB LYS 40 2HB LYS 40 54.403 -0.214 1.751 278 2HB LYS 40 1HB LYS 40 55.504 -1.578 1.608 279 1HG LYS 40 2HG LYS 40 55.711 -1.311 3.836 280 2HG LYS 40 1HG LYS 40 56.836 -0.032 3.390 281 1HD LYS 40 2HD LYS 40 53.923 0.602 3.582 282 2HD LYS 40 1HD LYS 40 54.845 0.423 5.072 283 1HE LYS 40 2HE LYS 40 55.172 2.459 2.875 284 2HE LYS 40 1HE LYS 40 54.978 2.726 4.606 285 1HZ LYS 40 3HZ LYS 40 57.212 1.483 4.760 286 2HZ LYS 40 2HZ LYS 40 57.376 1.899 3.121 287 3HZ LYS 40 1HZ LYS 40 57.199 3.113 4.296 288 H LEU 41 H LEU 41 56.391 -1.801 -0.452 289 HA LEU 41 HA LEU 41 58.798 -3.002 0.192 290 1HB LEU 41 2HB LEU 41 57.003 -3.038 -2.184 291 2HB LEU 41 1HB LEU 41 58.587 -3.785 -2.342 292 HG LEU 41 HG LEU 41 56.478 -4.448 -0.282 293 1HD1 LEU 41 2HD1 LEU 41 57.429 -5.809 -2.780 294 2HD1 LEU 41 1HD1 LEU 41 56.660 -6.717 -1.477 295 3HD1 LEU 41 3HD1 LEU 41 55.780 -5.419 -2.287 296 1HD2 LEU 41 2HD2 LEU 41 59.352 -5.086 -0.408 297 2HD2 LEU 41 1HD2 LEU 41 58.245 -5.095 0.966 298 3HD2 LEU 41 3HD2 LEU 41 58.293 -6.470 -0.136 299 H PHE 42 H PHE 42 58.185 -0.260 -1.860 300 HA PHE 42 HA PHE 42 60.664 -0.273 -3.272 301 1HB PHE 42 2HB PHE 42 58.452 0.948 -3.821 302 2HB PHE 42 1HB PHE 42 59.047 2.192 -2.731 303 HD1 PHE 42 HD2 PHE 42 59.745 0.358 -5.863 304 HD2 PHE 42 HD1 PHE 42 60.759 3.693 -3.398 305 HE1 PHE 42 HE2 PHE 42 61.104 1.297 -7.693 306 HE2 PHE 42 HE1 PHE 42 62.119 4.631 -5.228 307 HZ PHE 42 HZ PHE 42 62.290 3.434 -7.375 308 H LYS 43 H LYS 43 59.485 1.620 -0.503 309 HA LYS 43 HA LYS 43 61.740 3.165 -0.036 310 1HB LYS 43 2HB LYS 43 59.629 2.098 1.809 311 2HB LYS 43 1HB LYS 43 60.852 3.268 2.312 312 1HG LYS 43 2HG LYS 43 59.617 3.991 -0.221 313 2HG LYS 43 1HG LYS 43 58.428 3.817 1.055 314 1HD LYS 43 2HD LYS 43 59.634 5.415 2.467 315 2HD LYS 43 1HD LYS 43 60.911 5.540 1.261 316 1HE LYS 43 2HE LYS 43 58.307 6.879 1.396 317 2HE LYS 43 1HE LYS 43 59.781 7.350 0.552 318 1HZ LYS 43 3HZ LYS 43 59.200 5.672 -1.163 319 2HZ LYS 43 2HZ LYS 43 57.711 5.436 -0.382 320 3HZ LYS 43 1HZ LYS 43 58.092 6.951 -1.051 321 H LYS 44 H LYS 44 61.314 -0.224 0.518 322 HA LYS 44 HA LYS 44 63.342 -0.437 2.549 323 1HB LYS 44 2HB LYS 44 61.500 -2.245 1.061 324 2HB LYS 44 1HB LYS 44 62.922 -2.943 1.785 325 1HG LYS 44 2HG LYS 44 61.436 -3.225 3.503 326 2HG LYS 44 1HG LYS 44 62.049 -1.636 3.939 327 1HD LYS 44 2HD LYS 44 60.100 -0.569 3.309 328 2HD LYS 44 1HD LYS 44 59.776 -1.726 2.018 329 1HE LYS 44 2HE LYS 44 59.069 -1.880 4.947 330 2HE LYS 44 1HE LYS 44 58.060 -2.209 3.544 331 1HZ LYS 44 2HZ LYS 44 59.670 -4.160 3.178 332 2HZ LYS 44 1HZ LYS 44 60.088 -3.928 4.809 333 3HZ LYS 44 3HZ LYS 44 58.486 -4.289 4.389 334 H PHE 45 H PHE 45 63.024 -1.119 -0.914 335 HA PHE 45 HA PHE 45 65.719 -2.149 -1.105 336 1HB PHE 45 2HB PHE 45 63.396 -1.778 -2.927 337 2HB PHE 45 1HB PHE 45 64.990 -1.881 -3.642 338 HD1 PHE 45 HD1 PHE 45 66.415 -3.933 -3.216 339 HD2 PHE 45 HD2 PHE 45 62.280 -3.735 -2.082 340 HE1 PHE 45 HE1 PHE 45 66.337 -6.380 -3.019 341 HE2 PHE 45 HE2 PHE 45 62.228 -6.182 -1.893 342 HZ PHE 45 HZ PHE 45 64.250 -7.505 -2.358 343 H THR 46 H THR 46 63.992 0.805 -2.064 344 HA THR 46 HA THR 46 66.366 1.956 -3.237 345 HB THR 46 HB THR 46 64.938 3.836 -3.716 346 HG1 THR 46 HG1 THR 46 62.868 3.962 -2.888 347 1HG2 THR 46 3HG2 THR 46 64.521 1.228 -4.625 348 2HG2 THR 46 2HG2 THR 46 62.906 1.879 -4.332 349 3HG2 THR 46 1HG2 THR 46 64.015 2.722 -5.417 350 H SER 47 H SER 47 64.358 2.433 -0.380 351 HA SER 47 HA SER 47 66.407 4.236 0.740 352 1HB SER 47 2HB SER 47 63.506 4.187 0.834 353 2HB SER 47 1HB SER 47 64.202 4.228 2.449 354 HG SER 47 HG SER 47 64.846 6.220 2.085 355 H LYS 48 H LYS 48 67.248 1.737 0.700 356 HA LYS 48 HA LYS 48 66.528 -0.094 2.602 357 1HB LYS 48 2HB LYS 48 69.380 0.540 1.911 358 2HB LYS 48 1HB LYS 48 68.694 -1.020 2.357 359 1HG LYS 48 2HG LYS 48 67.235 -0.683 0.224 360 2HG LYS 48 1HG LYS 48 68.490 0.466 -0.230 361 1HD LYS 48 2HD LYS 48 69.859 -1.194 -0.837 362 2HD LYS 48 1HD LYS 48 69.703 -1.946 0.748 363 1HE LYS 48 2HE LYS 48 67.699 -2.290 -1.490 364 2HE LYS 48 1HE LYS 48 69.014 -3.414 -1.163 365 1HZ LYS 48 1HZ LYS 48 67.388 -2.755 1.130 366 2HZ LYS 48 3HZ LYS 48 66.567 -3.590 -0.096 367 3HZ LYS 48 2HZ LYS 48 67.965 -4.261 0.597 368 H ALA 49 H ALA 49 68.803 2.606 2.969 369 HA ALA 49 HA ALA 49 69.651 2.227 5.537 370 1HB ALA 49 2HB ALA 49 69.150 4.679 3.900 371 2HB ALA 49 1HB ALA 49 69.648 4.836 5.587 372 3HB ALA 49 3HB ALA 49 70.684 3.988 4.436 373 H SER 50 H SER 50 66.626 3.650 4.419 374 HA SER 50 HA SER 50 64.724 4.326 5.518 375 1HB SER 50 2HB SER 50 63.981 2.778 7.313 376 2HB SER 50 1HB SER 50 64.493 1.947 5.848 377 HG SER 50 HG SER 50 65.936 0.965 7.040 No H/Q in entry = 377 Start of MODEL 9 1 1H ALA 1 1H ALA 1 35.442 1.355 35.802 2 2H ALA 1 3H ALA 1 33.795 1.114 35.481 3 3H ALA 1 2H ALA 1 34.955 0.101 34.764 4 HA ALA 1 HA ALA 1 34.622 1.441 33.010 5 1HB ALA 1 3HB ALA 1 32.843 2.754 34.151 6 2HB ALA 1 2HB ALA 1 34.089 3.727 34.937 7 3HB ALA 1 1HB ALA 1 33.900 3.789 33.184 8 H GLU 2 H GLU 2 36.897 0.858 32.974 9 HA GLU 2 HA GLU 2 39.011 2.227 34.081 10 1HB GLU 2 2HB GLU 2 38.613 0.380 31.921 11 2HB GLU 2 1HB GLU 2 39.789 1.602 31.448 12 1HG GLU 2 2HG GLU 2 41.151 1.124 33.385 13 2HG GLU 2 1HG GLU 2 39.924 0.030 34.028 14 H GLY 3 H GLY 3 39.630 4.275 33.986 15 1HA GLY 3 2HA GLY 3 39.776 6.480 33.339 16 2HA GLY 3 1HA GLY 3 40.138 5.801 31.752 17 H ASP 4 H ASP 4 39.042 7.743 30.948 18 HA ASP 4 HA ASP 4 36.100 7.593 31.118 19 1HB ASP 4 2HB ASP 4 37.837 9.760 31.420 20 2HB ASP 4 1HB ASP 4 37.119 9.967 29.822 21 H ASP 5 H ASP 5 38.325 8.911 28.707 22 HA ASP 5 HA ASP 5 38.481 8.632 26.438 23 1HB ASP 5 2HB ASP 5 38.696 6.191 27.306 24 2HB ASP 5 1HB ASP 5 37.054 6.005 26.687 25 HA PRO 6 HA PRO 6 34.322 9.961 25.410 26 1HB PRO 6 2HB PRO 6 34.976 11.395 23.208 27 2HB PRO 6 1HB PRO 6 35.193 11.987 24.863 28 1HG PRO 6 2HG PRO 6 37.205 11.073 22.923 29 2HG PRO 6 1HG PRO 6 37.379 12.159 24.309 30 1HD PRO 6 2HD PRO 6 38.116 9.425 24.178 31 2HD PRO 6 1HD PRO 6 38.137 10.479 25.603 32 H ALA 7 H ALA 7 36.557 8.645 22.985 33 HA ALA 7 HA ALA 7 36.183 7.478 21.025 34 1HB ALA 7 3HB ALA 7 35.728 5.918 23.075 35 2HB ALA 7 2HB ALA 7 34.054 5.996 22.520 36 3HB ALA 7 1HB ALA 7 35.310 5.374 21.448 37 H LYS 8 H LYS 8 34.528 9.875 21.325 38 HA LYS 8 HA LYS 8 32.575 10.866 20.637 39 1HB LYS 8 2HB LYS 8 32.783 9.397 18.141 40 2HB LYS 8 1HB LYS 8 32.706 11.111 18.453 41 1HG LYS 8 2HG LYS 8 35.144 10.895 19.277 42 2HG LYS 8 1HG LYS 8 35.109 9.301 18.529 43 1HD LYS 8 2HD LYS 8 36.051 11.174 17.092 44 2HD LYS 8 1HD LYS 8 34.800 10.181 16.357 45 1HE LYS 8 2HE LYS 8 34.589 12.682 15.982 46 2HE LYS 8 1HE LYS 8 33.151 11.890 16.625 47 1HZ LYS 8 3HZ LYS 8 33.855 12.610 18.856 48 2HZ LYS 8 2HZ LYS 8 35.166 13.441 18.166 49 3HZ LYS 8 1HZ LYS 8 33.575 13.917 17.814 50 H ALA 9 H ALA 9 31.272 9.545 22.065 51 HA ALA 9 HA ALA 9 29.903 7.211 21.267 52 1HB ALA 9 1HB ALA 9 29.274 9.318 23.332 53 2HB ALA 9 3HB ALA 9 28.285 7.875 23.099 54 3HB ALA 9 2HB ALA 9 29.973 7.719 23.591 55 H ALA 10 H ALA 10 28.357 10.361 21.822 56 HA ALA 10 HA ALA 10 26.075 9.872 20.302 57 1HB ALA 10 1HB ALA 10 26.844 11.873 21.918 58 2HB ALA 10 3HB ALA 10 27.096 12.655 20.357 59 3HB ALA 10 2HB ALA 10 25.502 12.024 20.781 60 H PHE 11 H PHE 11 29.260 10.887 19.326 61 HA PHE 11 HA PHE 11 28.512 11.785 16.704 62 1HB PHE 11 2HB PHE 11 30.710 12.100 18.262 63 2HB PHE 11 1HB PHE 11 31.273 10.864 17.145 64 HD1 PHE 11 HD1 PHE 11 30.026 11.512 14.644 65 HD2 PHE 11 HD2 PHE 11 31.660 14.160 17.583 66 HE1 PHE 11 HE1 PHE 11 30.424 13.209 12.905 67 HE2 PHE 11 HE2 PHE 11 32.050 15.846 15.838 68 HZ PHE 11 HZ PHE 11 31.435 15.375 13.501 69 H ASN 12 H ASN 12 30.095 8.851 17.965 70 HA ASN 12 HA ASN 12 30.278 7.515 15.477 71 1HB ASN 12 2HB ASN 12 31.508 6.956 17.628 72 2HB ASN 12 1HB ASN 12 30.022 6.174 18.166 73 1HD2 ASN 12 2HD2 ASN 12 32.541 4.218 15.788 74 2HD2 ASN 12 1HD2 ASN 12 32.909 5.669 16.649 75 H SER 13 H SER 13 27.696 7.930 17.754 76 HA SER 13 HA SER 13 26.060 5.749 16.912 77 1HB SER 13 2HB SER 13 25.936 7.494 18.992 78 2HB SER 13 1HB SER 13 24.708 8.169 17.918 79 HG SER 13 HG SER 13 24.171 6.345 19.512 80 H LEU 14 H LEU 14 26.606 8.985 15.776 81 HA LEU 14 HA LEU 14 24.287 9.165 14.118 82 1HB LEU 14 2HB LEU 14 25.390 11.169 14.906 83 2HB LEU 14 1HB LEU 14 26.894 10.680 14.131 84 HG LEU 14 HG LEU 14 25.755 10.784 11.921 85 1HD1 LEU 14 1HD1 LEU 14 23.435 11.721 13.601 86 2HD1 LEU 14 3HD1 LEU 14 23.589 12.186 11.908 87 3HD1 LEU 14 2HD1 LEU 14 23.463 10.482 12.344 88 1HD2 LEU 14 1HD2 LEU 14 25.880 13.281 13.613 89 2HD2 LEU 14 3HD2 LEU 14 27.030 12.713 12.396 90 3HD2 LEU 14 2HD2 LEU 14 25.453 13.336 11.904 91 H GLN 15 H GLN 15 27.638 8.180 13.645 92 HA GLN 15 HA GLN 15 27.481 7.905 10.806 93 1HB GLN 15 2HB GLN 15 29.606 8.226 11.991 94 2HB GLN 15 1HB GLN 15 29.403 6.666 12.780 95 1HG GLN 15 2HG GLN 15 29.210 5.755 10.338 96 2HG GLN 15 1HG GLN 15 30.013 7.266 9.905 97 1HE2 GLN 15 2HD2 GLN 15 33.106 5.853 10.558 98 2HE2 GLN 15 1HD2 GLN 15 32.076 6.783 9.528 99 H ALA 16 H ALA 16 26.932 5.762 13.533 100 HA ALA 16 HA ALA 16 26.934 3.287 12.302 101 1HB ALA 16 3HB ALA 16 26.653 3.668 14.736 102 2HB ALA 16 2HB ALA 16 24.998 4.200 14.429 103 3HB ALA 16 1HB ALA 16 25.470 2.536 14.079 104 H SER 17 H SER 17 24.691 5.865 11.962 105 HA SER 17 HA SER 17 22.498 4.339 10.937 106 1HB SER 17 2HB SER 17 21.865 6.412 11.781 107 2HB SER 17 1HB SER 17 23.212 7.247 11.015 108 HG SER 17 HG SER 17 20.738 6.941 10.092 109 H ALA 18 H ALA 18 25.497 5.260 9.626 110 HA ALA 18 HA ALA 18 24.545 5.216 6.860 111 1HB ALA 18 3HB ALA 18 26.943 6.189 8.260 112 2HB ALA 18 2HB ALA 18 27.250 5.429 6.697 113 3HB ALA 18 1HB ALA 18 26.150 6.804 6.808 114 H THR 19 H THR 19 23.920 2.916 7.553 115 HA THR 19 HA THR 19 26.057 0.963 7.556 116 HB THR 19 HB THR 19 24.269 -0.696 7.625 117 HG1 THR 19 HG1 THR 19 22.617 1.553 7.149 118 1HG2 THR 19 2HG2 THR 19 24.556 1.454 9.559 119 2HG2 THR 19 1HG2 THR 19 22.925 0.783 9.585 120 3HG2 THR 19 3HG2 THR 19 24.316 -0.274 9.832 121 H GLU 20 H GLU 20 24.902 2.816 5.140 122 HA GLU 20 HA GLU 20 24.782 0.721 3.109 123 1HB GLU 20 2HB GLU 20 23.636 3.310 3.467 124 2HB GLU 20 1HB GLU 20 24.589 3.315 1.991 125 1HG GLU 20 2HG GLU 20 22.323 1.448 2.701 126 2HG GLU 20 1HG GLU 20 22.354 2.654 1.417 127 H TYR 21 H TYR 21 27.162 2.399 4.612 128 HA TYR 21 HA TYR 21 28.786 2.757 2.183 129 1HB TYR 21 2HB TYR 21 28.848 3.960 4.914 130 2HB TYR 21 1HB TYR 21 30.304 3.945 3.929 131 HD1 TYR 21 HD1 TYR 21 26.739 4.966 3.961 132 HD2 TYR 21 HD2 TYR 21 30.591 5.592 2.212 133 HE1 TYR 21 HE1 TYR 21 25.882 6.942 2.770 134 HE2 TYR 21 HE2 TYR 21 29.724 7.567 1.029 135 HH TYR 21 HH TYR 21 26.527 8.223 0.617 136 H ILE 22 H ILE 22 28.238 0.382 4.361 137 HA ILE 22 HA ILE 22 31.039 -0.346 4.783 138 HB ILE 22 HB ILE 22 28.568 -1.890 5.535 139 1HG1 ILE 22 2HG1 ILE 22 29.958 0.354 7.051 140 2HG1 ILE 22 1HG1 ILE 22 28.229 0.102 6.786 141 1HG2 ILE 22 1HG2 ILE 22 30.711 -3.139 5.461 142 2HG2 ILE 22 3HG2 ILE 22 31.369 -2.051 6.686 143 3HG2 ILE 22 2HG2 ILE 22 30.000 -3.093 7.076 144 1HD1 ILE 22 3HD1 ILE 22 29.979 -1.623 8.551 145 2HD1 ILE 22 2HD1 ILE 22 28.881 -0.361 9.112 146 3HD1 ILE 22 1HD1 ILE 22 28.239 -1.799 8.314 147 H GLY 23 H GLY 23 31.377 -0.522 2.499 148 1HA GLY 23 2HA GLY 23 31.734 -3.030 1.518 149 2HA GLY 23 1HA GLY 23 30.109 -2.612 0.974 150 H TYR 24 H TYR 24 30.391 0.085 0.472 151 HA TYR 24 HA TYR 24 31.895 0.040 -2.012 152 1HB TYR 24 2HB TYR 24 30.327 2.331 -0.847 153 2HB TYR 24 1HB TYR 24 30.780 2.083 -2.524 154 HD1 TYR 24 HD2 TYR 24 29.812 0.047 -3.741 155 HD2 TYR 24 HD1 TYR 24 28.248 1.500 -0.028 156 HE1 TYR 24 HE2 TYR 24 27.697 -1.145 -4.151 157 HE2 TYR 24 HE1 TYR 24 26.146 0.302 -0.456 158 HH TYR 24 HH TYR 24 24.884 -0.556 -2.448 159 H ALA 25 H ALA 25 32.062 1.541 1.152 160 HA ALA 25 HA ALA 25 34.058 3.469 0.564 161 1HB ALA 25 2HB ALA 25 33.104 2.158 3.098 162 2HB ALA 25 1HB ALA 25 34.468 3.281 3.102 163 3HB ALA 25 3HB ALA 25 32.878 3.825 2.562 164 H TRP 26 H TRP 26 34.155 0.058 1.024 165 HA TRP 26 HA TRP 26 36.851 -0.207 1.886 166 1HB TRP 26 2HB TRP 26 34.675 -1.951 1.100 167 2HB TRP 26 1HB TRP 26 36.199 -2.491 0.419 168 HD1 TRP 26 1HD TRP 26 34.240 -2.500 3.619 169 HE1 TRP 26 1HE TRP 26 35.658 -3.528 5.477 170 HE3 TRP 26 3HE TRP 26 38.804 -2.621 1.298 171 HZ2 TRP 26 2HZ TRP 26 38.316 -4.297 5.942 172 HZ3 TRP 26 3HZ TRP 26 40.746 -3.520 2.513 173 HH2 TRP 26 HH2 TRP 26 40.508 -4.351 4.815 174 H ALA 27 H ALA 27 35.286 -0.033 -1.259 175 HA ALA 27 HA ALA 27 37.352 -0.820 -2.935 176 1HB ALA 27 2HB ALA 27 34.897 0.723 -3.171 177 2HB ALA 27 1HB ALA 27 36.153 1.297 -4.270 178 3HB ALA 27 3HB ALA 27 35.641 -0.391 -4.320 179 H MET 28 H MET 28 36.880 2.196 -1.218 180 HA MET 28 HA MET 28 39.041 3.562 -2.562 181 1HB MET 28 2HB MET 28 37.070 4.187 -0.426 182 2HB MET 28 1HB MET 28 38.578 5.064 -0.379 183 1HG MET 28 2HG MET 28 36.465 5.098 -2.537 184 2HG MET 28 1HG MET 28 37.082 6.437 -1.588 185 1HE MET 28 1HE MET 28 36.430 6.420 -4.348 186 2HE MET 28 3HE MET 28 37.701 7.499 -4.941 187 3HE MET 28 2HE MET 28 37.580 5.853 -5.558 188 H VAL 29 H VAL 29 38.486 2.304 0.722 189 HA VAL 29 HA VAL 29 40.924 2.870 1.866 190 HB VAL 29 HB VAL 29 39.194 0.426 2.219 191 1HG1 VAL 29 3HG1 VAL 29 41.725 1.196 3.428 192 2HG1 VAL 29 2HG1 VAL 29 40.448 0.940 4.619 193 3HG1 VAL 29 1HG1 VAL 29 40.866 -0.344 3.483 194 1HG2 VAL 29 2HG2 VAL 29 38.764 3.152 2.842 195 2HG2 VAL 29 1HG2 VAL 29 37.773 1.762 3.292 196 3HG2 VAL 29 3HG2 VAL 29 39.063 2.310 4.364 197 H VAL 30 H VAL 30 40.167 0.530 -0.583 198 HA VAL 30 HA VAL 30 42.583 -1.004 -0.274 199 HB VAL 30 HB VAL 30 40.428 -0.898 -2.378 200 1HG1 VAL 30 3HG1 VAL 30 43.053 -2.028 -2.543 201 2HG1 VAL 30 2HG1 VAL 30 41.844 -3.315 -2.565 202 3HG1 VAL 30 1HG1 VAL 30 41.767 -2.009 -3.750 203 1HG2 VAL 30 1HG2 VAL 30 40.383 -1.967 0.148 204 2HG2 VAL 30 3HG2 VAL 30 39.352 -2.470 -1.193 205 3HG2 VAL 30 2HG2 VAL 30 40.841 -3.353 -0.845 206 H VAL 31 H VAL 31 41.402 1.624 -2.308 207 HA VAL 31 HA VAL 31 43.677 1.665 -4.038 208 HB VAL 31 HB VAL 31 41.464 3.641 -3.527 209 1HG1 VAL 31 1HG1 VAL 31 43.863 3.788 -5.225 210 2HG1 VAL 31 3HG1 VAL 31 42.345 4.243 -6.000 211 3HG1 VAL 31 2HG1 VAL 31 42.873 5.076 -4.537 212 1HG2 VAL 31 1HG2 VAL 31 41.423 1.171 -4.798 213 2HG2 VAL 31 3HG2 VAL 31 40.222 2.454 -4.961 214 3HG2 VAL 31 2HG2 VAL 31 41.548 2.334 -6.120 215 H ILE 32 H ILE 32 42.967 2.905 -0.928 216 HA ILE 32 HA ILE 32 45.037 4.961 -1.045 217 HB ILE 32 HB ILE 32 43.195 4.093 1.182 218 1HG1 ILE 32 2HG1 ILE 32 43.175 6.471 -0.680 219 2HG1 ILE 32 1HG1 ILE 32 41.991 5.168 -0.612 220 1HG2 ILE 32 1HG2 ILE 32 45.297 5.002 2.061 221 2HG2 ILE 32 3HG2 ILE 32 45.092 6.444 1.063 222 3HG2 ILE 32 2HG2 ILE 32 43.948 6.100 2.362 223 1HD1 ILE 32 2HD1 ILE 32 41.394 5.860 1.690 224 2HD1 ILE 32 1HD1 ILE 32 42.541 7.196 1.567 225 3HD1 ILE 32 3HD1 ILE 32 41.123 7.152 0.517 226 H VAL 33 H VAL 33 44.393 1.841 0.497 227 HA VAL 33 HA VAL 33 46.802 1.778 2.016 228 HB VAL 33 HB VAL 33 44.790 -0.306 1.177 229 1HG1 VAL 33 3HG1 VAL 33 47.385 -0.597 2.528 230 2HG1 VAL 33 2HG1 VAL 33 46.025 -1.437 3.276 231 3HG1 VAL 33 1HG1 VAL 33 46.449 -1.762 1.594 232 1HG2 VAL 33 2HG2 VAL 33 44.149 1.533 2.800 233 2HG2 VAL 33 1HG2 VAL 33 43.923 -0.123 3.370 234 3HG2 VAL 33 3HG2 VAL 33 45.310 0.816 3.922 235 H GLY 34 H GLY 34 45.716 0.112 -0.949 236 1HA GLY 34 2HA GLY 34 47.990 -1.303 -1.595 237 2HA GLY 34 1HA GLY 34 46.896 -0.612 -2.793 238 H ALA 35 H ALA 35 47.448 2.124 -1.747 239 HA ALA 35 HA ALA 35 49.577 2.808 -3.507 240 1HB ALA 35 2HB ALA 35 47.595 4.259 -2.848 241 2HB ALA 35 1HB ALA 35 48.444 4.559 -1.329 242 3HB ALA 35 3HB ALA 35 49.170 5.056 -2.859 243 H THR 36 H THR 36 49.416 1.960 -0.151 244 HA THR 36 HA THR 36 51.993 3.113 0.499 245 HB THR 36 HB THR 36 49.868 2.656 2.028 246 HG1 THR 36 HG1 THR 36 51.214 3.092 3.685 247 1HG2 THR 36 1HG2 THR 36 49.958 0.190 1.799 248 2HG2 THR 36 3HG2 THR 36 51.555 0.198 2.545 249 3HG2 THR 36 2HG2 THR 36 50.146 0.719 3.470 250 H ILE 37 H ILE 37 50.650 -0.137 0.020 251 HA ILE 37 HA ILE 37 52.893 -1.679 0.526 252 HB ILE 37 HB ILE 37 50.780 -2.062 -1.586 253 1HG1 ILE 37 2HG1 ILE 37 51.002 -3.067 1.236 254 2HG1 ILE 37 1HG1 ILE 37 49.855 -1.875 0.643 255 1HG2 ILE 37 1HG2 ILE 37 53.156 -3.575 -1.032 256 2HG2 ILE 37 3HG2 ILE 37 51.726 -4.541 -0.663 257 3HG2 ILE 37 2HG2 ILE 37 51.929 -3.844 -2.273 258 1HD1 ILE 37 2HD1 ILE 37 49.242 -3.827 -1.046 259 2HD1 ILE 37 1HD1 ILE 37 49.902 -4.831 0.247 260 3HD1 ILE 37 3HD1 ILE 37 48.537 -3.761 0.571 261 H GLY 38 H GLY 38 52.140 0.339 -2.214 262 1HA GLY 38 2HA GLY 38 54.055 -0.635 -4.054 263 2HA GLY 38 1HA GLY 38 53.348 0.982 -4.057 264 H ILE 39 H ILE 39 54.194 2.434 -2.294 265 HA ILE 39 HA ILE 39 56.926 2.883 -2.671 266 HB ILE 39 HB ILE 39 55.154 3.818 -0.418 267 1HG1 ILE 39 2HG1 ILE 39 55.746 5.691 -2.579 268 2HG1 ILE 39 1HG1 ILE 39 54.855 4.277 -3.126 269 1HG2 ILE 39 3HG2 ILE 39 57.936 4.286 -1.067 270 2HG2 ILE 39 2HG2 ILE 39 57.006 5.784 -1.016 271 3HG2 ILE 39 1HG2 ILE 39 57.027 4.711 0.384 272 1HD1 ILE 39 3HD1 ILE 39 53.522 4.903 -0.821 273 2HD1 ILE 39 2HD1 ILE 39 53.983 6.499 -1.417 274 3HD1 ILE 39 1HD1 ILE 39 53.032 5.416 -2.437 275 H LYS 40 H LYS 40 55.205 1.083 -0.187 276 HA LYS 40 HA LYS 40 57.309 0.774 1.648 277 1HB LYS 40 2HB LYS 40 54.735 0.172 1.737 278 2HB LYS 40 1HB LYS 40 55.327 -1.404 1.222 279 1HG LYS 40 2HG LYS 40 55.641 -1.770 3.416 280 2HG LYS 40 1HG LYS 40 57.074 -0.765 3.223 281 1HD LYS 40 2HD LYS 40 54.452 0.574 3.713 282 2HD LYS 40 1HD LYS 40 55.238 -0.229 5.071 283 1HE LYS 40 2HE LYS 40 56.180 2.133 3.459 284 2HE LYS 40 1HE LYS 40 56.044 1.970 5.208 285 1HZ LYS 40 3HZ LYS 40 57.842 0.204 4.954 286 2HZ LYS 40 2HZ LYS 40 58.110 0.872 3.415 287 3HZ LYS 40 1HZ LYS 40 58.301 1.829 4.804 288 H LEU 41 H LEU 41 56.167 -1.331 -0.974 289 HA LEU 41 HA LEU 41 58.036 -3.382 -0.739 290 1HB LEU 41 2HB LEU 41 56.369 -2.283 -2.950 291 2HB LEU 41 1HB LEU 41 57.641 -3.422 -3.369 292 HG LEU 41 HG LEU 41 55.377 -3.874 -1.416 293 1HD1 LEU 41 1HD1 LEU 41 55.950 -4.936 -4.174 294 2HD1 LEU 41 3HD1 LEU 41 54.800 -5.698 -3.074 295 3HD1 LEU 41 2HD1 LEU 41 54.533 -4.041 -3.621 296 1HD2 LEU 41 2HD2 LEU 41 57.905 -5.340 -1.855 297 2HD2 LEU 41 1HD2 LEU 41 56.854 -5.283 -0.438 298 3HD2 LEU 41 3HD2 LEU 41 56.446 -6.330 -1.797 299 H PHE 42 H PHE 42 58.401 -0.150 -1.905 300 HA PHE 42 HA PHE 42 60.779 -0.584 -3.454 301 1HB PHE 42 2HB PHE 42 59.023 1.366 -3.508 302 2HB PHE 42 1HB PHE 42 60.070 2.067 -2.281 303 HD1 PHE 42 HD2 PHE 42 62.501 2.437 -2.828 304 HD2 PHE 42 HD1 PHE 42 59.595 1.418 -5.785 305 HE1 PHE 42 HE2 PHE 42 64.014 3.248 -4.595 306 HE2 PHE 42 HE1 PHE 42 61.109 2.229 -7.553 307 HZ PHE 42 HZ PHE 42 63.319 3.146 -6.958 308 H LYS 43 H LYS 43 60.076 0.211 -0.110 309 HA LYS 43 HA LYS 43 62.816 0.897 0.500 310 1HB LYS 43 2HB LYS 43 60.410 0.473 2.263 311 2HB LYS 43 1HB LYS 43 61.981 1.025 2.843 312 1HG LYS 43 2HG LYS 43 60.778 2.501 0.547 313 2HG LYS 43 1HG LYS 43 60.021 2.723 2.111 314 1HD LYS 43 2HD LYS 43 61.734 3.954 2.932 315 2HD LYS 43 1HD LYS 43 62.963 2.985 2.132 316 1HE LYS 43 2HE LYS 43 62.418 5.509 1.423 317 2HE LYS 43 1HE LYS 43 62.991 4.306 0.272 318 1HZ LYS 43 2HZ LYS 43 60.103 4.604 0.745 319 2HZ LYS 43 1HZ LYS 43 60.903 5.724 -0.250 320 3HZ LYS 43 3HZ LYS 43 60.918 4.075 -0.648 321 H LYS 44 H LYS 44 61.040 -1.998 0.238 322 HA LYS 44 HA LYS 44 62.516 -3.478 2.231 323 1HB LYS 44 2HB LYS 44 60.233 -4.107 1.716 324 2HB LYS 44 1HB LYS 44 60.649 -4.389 0.038 325 1HG LYS 44 2HG LYS 44 62.378 -5.881 1.834 326 2HG LYS 44 1HG LYS 44 60.680 -6.268 2.092 327 1HD LYS 44 2HD LYS 44 60.516 -6.551 -0.451 328 2HD LYS 44 1HD LYS 44 62.274 -6.462 -0.471 329 1HE LYS 44 2HE LYS 44 60.550 -8.715 0.364 330 2HE LYS 44 1HE LYS 44 62.201 -8.712 -0.253 331 1HZ LYS 44 3HZ LYS 44 62.975 -8.034 1.936 332 2HZ LYS 44 2HZ LYS 44 61.382 -8.057 2.526 333 3HZ LYS 44 1HZ LYS 44 62.122 -9.497 2.012 334 H PHE 45 H PHE 45 62.323 -3.588 -1.323 335 HA PHE 45 HA PHE 45 64.393 -5.406 -1.778 336 1HB PHE 45 2HB PHE 45 63.040 -3.277 -3.347 337 2HB PHE 45 1HB PHE 45 64.555 -3.900 -3.959 338 HD1 PHE 45 HD2 PHE 45 64.796 -6.381 -4.415 339 HD2 PHE 45 HD1 PHE 45 61.013 -4.558 -3.546 340 HE1 PHE 45 HE2 PHE 45 63.628 -8.332 -5.346 341 HE2 PHE 45 HE1 PHE 45 59.866 -6.517 -4.481 342 HZ PHE 45 HZ PHE 45 61.167 -8.403 -5.380 343 H THR 46 H THR 46 64.474 -2.049 -0.913 344 HA THR 46 HA THR 46 67.276 -1.760 -1.633 345 HB THR 46 HB THR 46 66.964 0.540 -0.962 346 HG1 THR 46 HG1 THR 46 65.526 0.120 0.793 347 1HG2 THR 46 3HG2 THR 46 65.221 -0.803 -2.895 348 2HG2 THR 46 2HG2 THR 46 64.636 0.783 -2.384 349 3HG2 THR 46 1HG2 THR 46 66.243 0.622 -3.092 350 H SER 47 H SER 47 65.353 -2.573 1.104 351 HA SER 47 HA SER 47 67.153 -1.728 3.153 352 1HB SER 47 2HB SER 47 64.730 -2.210 3.499 353 2HB SER 47 1HB SER 47 65.075 -3.919 3.260 354 HG SER 47 HG SER 47 65.143 -2.743 5.521 355 H LYS 48 H LYS 48 66.991 -4.457 1.033 356 HA LYS 48 HA LYS 48 68.244 -6.503 2.310 357 1HB LYS 48 2HB LYS 48 68.711 -5.507 -0.498 358 2HB LYS 48 1HB LYS 48 69.259 -7.069 0.099 359 1HG LYS 48 2HG LYS 48 66.402 -6.483 0.559 360 2HG LYS 48 1HG LYS 48 66.868 -6.648 -1.130 361 1HD LYS 48 2HD LYS 48 67.748 -8.685 0.894 362 2HD LYS 48 1HD LYS 48 66.134 -8.765 0.196 363 1HE LYS 48 2HE LYS 48 67.002 -9.036 -2.007 364 2HE LYS 48 1HE LYS 48 68.630 -8.605 -1.492 365 1HZ LYS 48 3HZ LYS 48 67.465 -10.863 -0.112 366 2HZ LYS 48 2HZ LYS 48 67.744 -11.109 -1.770 367 3HZ LYS 48 1HZ LYS 48 69.025 -10.662 -0.747 368 H ALA 49 H ALA 49 69.651 -3.474 1.325 369 HA ALA 49 HA ALA 49 72.298 -3.855 1.129 370 1HB ALA 49 3HB ALA 49 70.634 -1.701 2.245 371 2HB ALA 49 2HB ALA 49 72.326 -1.681 2.749 372 3HB ALA 49 1HB ALA 49 71.915 -1.632 1.033 373 H SER 50 H SER 50 70.802 -3.214 4.304 374 HA SER 50 HA SER 50 73.041 -3.833 5.856 375 1HB SER 50 2HB SER 50 70.107 -3.693 6.359 376 2HB SER 50 1HB SER 50 71.134 -4.422 7.588 377 HG SER 50 HG SER 50 71.323 -1.804 6.480 No H/Q in entry = 377 Start of MODEL 10 1 1H ALA 1 2H ALA 1 44.653 -7.622 28.293 2 2H ALA 1 1H ALA 1 44.810 -7.425 29.972 3 3H ALA 1 3H ALA 1 45.663 -8.659 29.182 4 HA ALA 1 HA ALA 1 43.971 -10.064 29.231 5 1HB ALA 1 1HB ALA 1 42.890 -7.914 31.079 6 2HB ALA 1 3HB ALA 1 42.210 -9.539 30.956 7 3HB ALA 1 2HB ALA 1 43.863 -9.312 31.539 8 H GLU 2 H GLU 2 41.763 -10.576 28.651 9 HA GLU 2 HA GLU 2 40.040 -10.499 27.137 10 1HB GLU 2 2HB GLU 2 40.026 -7.723 28.294 11 2HB GLU 2 1HB GLU 2 38.836 -8.234 27.099 12 1HG GLU 2 2HG GLU 2 38.881 -10.299 28.980 13 2HG GLU 2 1HG GLU 2 38.961 -8.818 29.937 14 H GLY 3 H GLY 3 42.326 -10.517 25.810 15 1HA GLY 3 2HA GLY 3 42.825 -8.297 24.110 16 2HA GLY 3 1HA GLY 3 43.406 -9.942 23.866 17 H ASP 4 H ASP 4 42.479 -11.162 22.337 18 HA ASP 4 HA ASP 4 40.707 -9.997 20.445 19 1HB ASP 4 2HB ASP 4 42.475 -11.789 20.038 20 2HB ASP 4 1HB ASP 4 41.305 -12.937 20.692 21 H ASP 5 H ASP 5 39.160 -9.519 22.378 22 HA ASP 5 HA ASP 5 37.528 -11.465 23.508 23 1HB ASP 5 2HB ASP 5 37.606 -9.040 24.130 24 2HB ASP 5 1HB ASP 5 36.656 -8.696 22.684 25 HA PRO 6 HA PRO 6 35.336 -12.694 19.797 26 1HB PRO 6 2HB PRO 6 33.980 -14.765 20.883 27 2HB PRO 6 1HB PRO 6 35.691 -14.847 20.436 28 1HG PRO 6 2HG PRO 6 34.457 -14.679 23.103 29 2HG PRO 6 1HG PRO 6 36.026 -15.342 22.622 30 1HD PRO 6 2HD PRO 6 35.537 -12.826 23.820 31 2HD PRO 6 1HD PRO 6 37.070 -13.419 23.158 32 H ALA 7 H ALA 7 33.976 -11.520 22.717 33 HA ALA 7 HA ALA 7 31.242 -11.824 22.392 34 1HB ALA 7 1HB ALA 7 32.282 -10.833 24.383 35 2HB ALA 7 3HB ALA 7 32.706 -9.398 23.446 36 3HB ALA 7 2HB ALA 7 31.011 -9.791 23.738 37 H LYS 8 H LYS 8 33.457 -9.829 20.616 38 HA LYS 8 HA LYS 8 31.687 -7.921 19.551 39 1HB LYS 8 2HB LYS 8 34.112 -9.128 18.205 40 2HB LYS 8 1HB LYS 8 33.379 -7.575 17.864 41 1HG LYS 8 2HG LYS 8 34.186 -6.600 19.845 42 2HG LYS 8 1HG LYS 8 34.422 -8.168 20.614 43 1HD LYS 8 2HD LYS 8 36.493 -6.814 19.744 44 2HD LYS 8 1HD LYS 8 36.437 -8.559 19.564 45 1HE LYS 8 2HE LYS 8 37.202 -7.173 17.536 46 2HE LYS 8 1HE LYS 8 35.997 -8.426 17.249 47 1HZ LYS 8 2HZ LYS 8 34.736 -5.981 17.930 48 2HZ LYS 8 1HZ LYS 8 35.814 -5.737 16.640 49 3HZ LYS 8 3HZ LYS 8 34.592 -6.903 16.510 50 H ALA 9 H ALA 9 32.186 -11.264 18.834 51 HA ALA 9 HA ALA 9 31.480 -11.716 16.279 52 1HB ALA 9 3HB ALA 9 30.431 -13.120 18.734 53 2HB ALA 9 2HB ALA 9 30.217 -13.730 17.092 54 3HB ALA 9 1HB ALA 9 31.839 -13.555 17.764 55 H ALA 10 H ALA 10 28.821 -11.980 18.612 56 HA ALA 10 HA ALA 10 26.727 -11.656 16.865 57 1HB ALA 10 3HB ALA 10 27.099 -11.491 19.736 58 2HB ALA 10 2HB ALA 10 25.853 -10.373 19.179 59 3HB ALA 10 1HB ALA 10 25.721 -12.094 18.814 60 H PHE 11 H PHE 11 28.190 -9.050 18.816 61 HA PHE 11 HA PHE 11 26.715 -6.907 17.882 62 1HB PHE 11 2HB PHE 11 28.728 -7.125 19.610 63 2HB PHE 11 1HB PHE 11 29.639 -6.511 18.238 64 HD1 PHE 11 HD1 PHE 11 28.334 -4.516 16.966 65 HD2 PHE 11 HD2 PHE 11 27.983 -5.477 21.123 66 HE1 PHE 11 HE1 PHE 11 27.602 -2.214 17.444 67 HE2 PHE 11 HE2 PHE 11 27.256 -3.177 21.588 68 HZ PHE 11 HZ PHE 11 27.063 -1.543 19.753 69 H ASN 12 H ASN 12 29.480 -8.507 16.393 70 HA ASN 12 HA ASN 12 29.799 -6.628 14.262 71 1HB ASN 12 2HB ASN 12 31.369 -8.572 15.234 72 2HB ASN 12 1HB ASN 12 30.646 -9.445 13.882 73 1HD2 ASN 12 1HD2 ASN 12 31.370 -9.048 11.873 74 2HD2 ASN 12 2HD2 ASN 12 32.502 -7.813 11.446 75 H SER 13 H SER 13 27.986 -9.603 14.709 76 HA SER 13 HA SER 13 27.222 -10.028 12.023 77 1HB SER 13 2HB SER 13 25.267 -10.812 14.060 78 2HB SER 13 1HB SER 13 26.110 -11.796 12.863 79 HG SER 13 HG SER 13 27.206 -12.462 14.545 80 H LEU 14 H LEU 14 26.002 -7.948 14.541 81 HA LEU 14 HA LEU 14 23.509 -7.378 13.230 82 1HB LEU 14 2HB LEU 14 23.578 -7.217 15.620 83 2HB LEU 14 1HB LEU 14 24.946 -6.110 15.558 84 HG LEU 14 HG LEU 14 23.579 -4.385 14.540 85 1HD1 LEU 14 3HD1 LEU 14 21.430 -6.502 14.508 86 2HD1 LEU 14 2HD1 LEU 14 21.048 -4.782 14.433 87 3HD1 LEU 14 1HD1 LEU 14 22.032 -5.520 13.169 88 1HD2 LEU 14 3HD2 LEU 14 22.282 -5.591 16.999 89 2HD2 LEU 14 2HD2 LEU 14 23.555 -4.366 16.955 90 3HD2 LEU 14 1HD2 LEU 14 21.933 -3.977 16.380 91 H GLN 15 H GLN 15 26.714 -5.980 13.296 92 HA GLN 15 HA GLN 15 25.845 -3.602 11.832 93 1HB GLN 15 2HB GLN 15 27.479 -3.358 13.648 94 2HB GLN 15 1HB GLN 15 28.582 -4.432 12.796 95 1HG GLN 15 2HG GLN 15 28.251 -2.693 10.837 96 2HG GLN 15 1HG GLN 15 27.813 -1.620 12.167 97 1HE2 GLN 15 2HD2 GLN 15 31.523 -1.577 11.477 98 2HE2 GLN 15 1HD2 GLN 15 30.131 -1.437 10.462 99 H ALA 16 H ALA 16 27.745 -6.533 11.367 100 HA ALA 16 HA ALA 16 28.681 -5.863 8.755 101 1HB ALA 16 2HB ALA 16 29.663 -7.574 10.380 102 2HB ALA 16 1HB ALA 16 28.382 -8.656 9.831 103 3HB ALA 16 3HB ALA 16 29.573 -8.044 8.682 104 H SER 17 H SER 17 25.607 -6.616 9.832 105 HA SER 17 HA SER 17 24.710 -8.264 7.670 106 1HB SER 17 2HB SER 17 23.433 -6.781 9.915 107 2HB SER 17 1HB SER 17 22.425 -7.259 8.554 108 HG SER 17 HG SER 17 22.399 -8.989 9.925 109 H ALA 18 H ALA 18 24.404 -4.805 8.443 110 HA ALA 18 HA ALA 18 23.348 -4.285 5.752 111 1HB ALA 18 2HB ALA 18 23.127 -3.016 8.373 112 2HB ALA 18 1HB ALA 18 23.460 -1.869 7.074 113 3HB ALA 18 3HB ALA 18 22.048 -2.923 6.977 114 H THR 19 H THR 19 26.163 -5.013 6.229 115 HA THR 19 HA THR 19 27.541 -2.506 5.592 116 HB THR 19 HB THR 19 28.660 -5.236 6.212 117 HG1 THR 19 HG1 THR 19 28.768 -2.955 7.865 118 1HG2 THR 19 2HG2 THR 19 29.923 -3.018 4.997 119 2HG2 THR 19 1HG2 THR 19 30.485 -3.063 6.669 120 3HG2 THR 19 3HG2 THR 19 30.685 -4.475 5.631 121 H GLU 20 H GLU 20 25.756 -3.698 3.694 122 HA GLU 20 HA GLU 20 27.456 -4.893 1.661 123 1HB GLU 20 2HB GLU 20 24.692 -4.964 2.296 124 2HB GLU 20 1HB GLU 20 24.846 -4.242 0.699 125 1HG GLU 20 2HG GLU 20 25.854 -6.945 1.604 126 2HG GLU 20 1HG GLU 20 24.623 -6.603 0.392 127 H TYR 21 H TYR 21 26.436 -1.838 2.644 128 HA TYR 21 HA TYR 21 26.914 -0.645 0.000 129 1HB TYR 21 2HB TYR 21 25.459 0.263 2.457 130 2HB TYR 21 1HB TYR 21 26.045 1.440 1.292 131 HD1 TYR 21 HD1 TYR 21 25.187 1.395 -1.049 132 HD2 TYR 21 HD2 TYR 21 23.570 -1.125 2.007 133 HE1 TYR 21 HE1 TYR 21 23.195 0.981 -2.437 134 HE2 TYR 21 HE2 TYR 21 21.582 -1.529 0.609 135 HH TYR 21 HH TYR 21 21.329 -0.249 -2.673 136 H ILE 22 H ILE 22 28.234 -1.000 3.174 137 HA ILE 22 HA ILE 22 30.020 1.274 3.008 138 HB ILE 22 HB ILE 22 29.874 -1.092 4.879 139 1HG1 ILE 22 2HG1 ILE 22 28.069 0.936 4.778 140 2HG1 ILE 22 1HG1 ILE 22 28.527 0.152 6.299 141 1HG2 ILE 22 2HG2 ILE 22 32.177 -0.181 4.724 142 2HG2 ILE 22 1HG2 ILE 22 31.561 1.403 5.196 143 3HG2 ILE 22 3HG2 ILE 22 31.468 0.050 6.325 144 1HD1 ILE 22 2HD1 ILE 22 29.785 2.688 5.224 145 2HD1 ILE 22 1HD1 ILE 22 28.513 2.620 6.443 146 3HD1 ILE 22 3HD1 ILE 22 30.099 1.927 6.786 147 H GLY 23 H GLY 23 30.038 -2.022 1.965 148 1HA GLY 23 2HA GLY 23 32.830 -2.487 1.913 149 2HA GLY 23 1HA GLY 23 31.624 -3.329 0.943 150 H TYR 24 H TYR 24 30.890 -0.359 0.100 151 HA TYR 24 HA TYR 24 32.334 -0.429 -2.382 152 1HB TYR 24 2HB TYR 24 30.495 1.607 -1.126 153 2HB TYR 24 1HB TYR 24 31.227 1.819 -2.707 154 HD1 TYR 24 HD2 TYR 24 30.411 -1.632 -2.008 155 HD2 TYR 24 HD1 TYR 24 28.767 2.082 -3.366 156 HE1 TYR 24 HE2 TYR 24 28.530 -2.829 -3.032 157 HE2 TYR 24 HE1 TYR 24 26.888 0.862 -4.385 158 HH TYR 24 HH TYR 24 26.805 -2.640 -4.507 159 H ALA 25 H ALA 25 32.592 1.309 0.648 160 HA ALA 25 HA ALA 25 34.582 3.170 -0.225 161 1HB ALA 25 2HB ALA 25 33.085 3.425 1.803 162 2HB ALA 25 1HB ALA 25 34.094 2.216 2.600 163 3HB ALA 25 3HB ALA 25 34.797 3.751 2.084 164 H TRP 26 H TRP 26 34.558 -0.118 0.863 165 HA TRP 26 HA TRP 26 37.230 -0.402 1.713 166 1HB TRP 26 2HB TRP 26 34.983 -2.135 1.067 167 2HB TRP 26 1HB TRP 26 36.512 -2.820 0.550 168 HD1 TRP 26 1HD TRP 26 34.342 -2.756 3.478 169 HE1 TRP 26 1HE TRP 26 35.622 -3.378 5.590 170 HE3 TRP 26 3HE TRP 26 39.136 -2.345 1.744 171 HZ2 TRP 26 2HZ TRP 26 38.284 -3.682 6.447 172 HZ3 TRP 26 3HZ TRP 26 41.011 -2.825 3.268 173 HH2 TRP 26 HH2 TRP 26 40.592 -3.489 5.599 174 H ALA 27 H ALA 27 35.713 -0.336 -1.421 175 HA ALA 27 HA ALA 27 37.896 -1.400 -2.910 176 1HB ALA 27 1HB ALA 27 35.248 -0.530 -3.429 177 2HB ALA 27 3HB ALA 27 36.315 0.407 -4.478 178 3HB ALA 27 2HB ALA 27 36.354 -1.356 -4.531 179 H MET 28 H MET 28 37.068 1.740 -1.672 180 HA MET 28 HA MET 28 39.073 3.125 -3.258 181 1HB MET 28 2HB MET 28 36.840 3.862 -1.513 182 2HB MET 28 1HB MET 28 38.267 4.844 -1.246 183 1HG MET 28 2HG MET 28 36.757 4.473 -3.836 184 2HG MET 28 1HG MET 28 36.897 5.936 -2.879 185 1HE MET 28 1HE MET 28 37.547 7.515 -4.095 186 2HE MET 28 3HE MET 28 39.229 7.837 -3.644 187 3HE MET 28 2HE MET 28 38.797 7.593 -5.337 188 H VAL 29 H VAL 29 38.526 2.226 0.119 189 HA VAL 29 HA VAL 29 40.775 3.330 1.291 190 HB VAL 29 HB VAL 29 39.372 0.734 1.905 191 1HG1 VAL 29 1HG1 VAL 29 41.512 2.247 3.317 192 2HG1 VAL 29 3HG1 VAL 29 40.278 1.426 4.273 193 3HG1 VAL 29 2HG1 VAL 29 41.283 0.505 3.151 194 1HG2 VAL 29 3HG2 VAL 29 38.670 3.525 2.266 195 2HG2 VAL 29 2HG2 VAL 29 37.681 2.079 2.474 196 3HG2 VAL 29 1HG2 VAL 29 38.697 2.651 3.799 197 H VAL 30 H VAL 30 40.408 0.236 -0.394 198 HA VAL 30 HA VAL 30 42.940 -0.817 0.121 199 HB VAL 30 HB VAL 30 40.849 -1.893 -0.899 200 1HG1 VAL 30 2HG1 VAL 30 41.036 -0.170 -2.864 201 2HG1 VAL 30 1HG1 VAL 30 42.138 -1.374 -3.530 202 3HG1 VAL 30 3HG1 VAL 30 40.471 -1.816 -3.159 203 1HG2 VAL 30 3HG2 VAL 30 42.989 -3.021 -0.467 204 2HG2 VAL 30 2HG2 VAL 30 42.177 -3.638 -1.907 205 3HG2 VAL 30 1HG2 VAL 30 43.548 -2.537 -2.068 206 H VAL 31 H VAL 31 41.865 1.541 -2.227 207 HA VAL 31 HA VAL 31 44.272 1.494 -3.776 208 HB VAL 31 HB VAL 31 41.986 3.447 -3.645 209 1HG1 VAL 31 2HG1 VAL 31 44.500 3.442 -5.180 210 2HG1 VAL 31 1HG1 VAL 31 43.033 3.792 -6.097 211 3HG1 VAL 31 3HG1 VAL 31 43.459 4.784 -4.702 212 1HG2 VAL 31 2HG2 VAL 31 41.772 0.938 -4.466 213 2HG2 VAL 31 1HG2 VAL 31 40.961 2.254 -5.317 214 3HG2 VAL 31 3HG2 VAL 31 42.480 1.607 -5.938 215 H ILE 32 H ILE 32 43.150 3.123 -0.959 216 HA ILE 32 HA ILE 32 45.234 5.159 -1.057 217 HB ILE 32 HB ILE 32 43.129 4.537 1.013 218 1HG1 ILE 32 2HG1 ILE 32 43.291 6.848 -0.921 219 2HG1 ILE 32 1HG1 ILE 32 42.365 5.382 -1.230 220 1HG2 ILE 32 3HG2 ILE 32 45.498 6.078 1.254 221 2HG2 ILE 32 2HG2 ILE 32 44.136 7.200 1.193 222 3HG2 ILE 32 1HG2 ILE 32 44.174 5.922 2.410 223 1HD1 ILE 32 3HD1 ILE 32 41.074 5.800 0.850 224 2HD1 ILE 32 2HD1 ILE 32 41.955 7.314 1.061 225 3HD1 ILE 32 1HD1 ILE 32 40.894 7.096 -0.334 226 H VAL 33 H VAL 33 44.439 2.201 0.680 227 HA VAL 33 HA VAL 33 46.753 2.369 2.409 228 HB VAL 33 HB VAL 33 44.497 0.439 1.972 229 1HG1 VAL 33 1HG1 VAL 33 46.970 -0.064 3.614 230 2HG1 VAL 33 3HG1 VAL 33 45.460 -0.959 3.800 231 3HG1 VAL 33 2HG1 VAL 33 46.345 -1.029 2.276 232 1HG2 VAL 33 1HG2 VAL 33 45.371 2.339 4.085 233 2HG2 VAL 33 3HG2 VAL 33 43.759 2.024 3.442 234 3HG2 VAL 33 2HG2 VAL 33 44.492 0.890 4.580 235 H GLY 34 H GLY 34 45.842 0.996 -0.653 236 1HA GLY 34 2HA GLY 34 47.925 -0.950 -0.845 237 2HA GLY 34 1HA GLY 34 46.965 -0.311 -2.184 238 H ALA 35 H ALA 35 47.561 2.429 -1.807 239 HA ALA 35 HA ALA 35 49.856 2.779 -3.342 240 1HB ALA 35 2HB ALA 35 48.387 4.625 -1.466 241 2HB ALA 35 1HB ALA 35 49.786 5.158 -2.400 242 3HB ALA 35 3HB ALA 35 48.335 4.590 -3.230 243 H THR 36 H THR 36 49.420 2.512 0.105 244 HA THR 36 HA THR 36 52.011 3.375 0.904 245 HB THR 36 HB THR 36 49.873 1.696 2.208 246 HG1 THR 36 HG1 THR 36 49.283 3.762 2.293 247 1HG2 THR 36 1HG2 THR 36 52.618 2.382 3.227 248 2HG2 THR 36 3HG2 THR 36 51.265 2.148 4.336 249 3HG2 THR 36 2HG2 THR 36 51.773 0.832 3.273 250 H ILE 37 H ILE 37 50.574 0.172 0.320 251 HA ILE 37 HA ILE 37 52.810 -1.401 0.896 252 HB ILE 37 HB ILE 37 50.665 -1.833 -1.179 253 1HG1 ILE 37 2HG1 ILE 37 50.889 -2.712 1.687 254 2HG1 ILE 37 1HG1 ILE 37 49.739 -1.552 1.036 255 1HG2 ILE 37 1HG2 ILE 37 52.600 -3.257 -1.603 256 2HG2 ILE 37 3HG2 ILE 37 52.572 -3.808 0.073 257 3HG2 ILE 37 2HG2 ILE 37 51.238 -4.210 -1.010 258 1HD1 ILE 37 3HD1 ILE 37 49.089 -3.560 -0.544 259 2HD1 ILE 37 2HD1 ILE 37 49.807 -4.529 0.744 260 3HD1 ILE 37 1HD1 ILE 37 48.441 -3.468 1.094 261 H GLY 38 H GLY 38 51.999 0.545 -1.879 262 1HA GLY 38 2HA GLY 38 53.950 -0.478 -3.686 263 2HA GLY 38 1HA GLY 38 53.132 1.080 -3.808 264 H ILE 39 H ILE 39 54.092 1.612 -0.957 265 HA ILE 39 HA ILE 39 56.662 2.772 -1.739 266 HB ILE 39 HB ILE 39 55.457 3.136 0.963 267 1HG1 ILE 39 2HG1 ILE 39 53.510 3.513 -0.325 268 2HG1 ILE 39 1HG1 ILE 39 54.168 5.087 0.058 269 1HG2 ILE 39 2HG2 ILE 39 57.674 4.098 0.100 270 2HG2 ILE 39 1HG2 ILE 39 56.658 5.217 -0.811 271 3HG2 ILE 39 3HG2 ILE 39 56.561 5.174 0.948 272 1HD1 ILE 39 3HD1 ILE 39 55.269 5.072 -2.218 273 2HD1 ILE 39 2HD1 ILE 39 54.290 3.647 -2.586 274 3HD1 ILE 39 1HD1 ILE 39 53.510 5.182 -2.218 275 H LYS 40 H LYS 40 55.246 0.686 0.712 276 HA LYS 40 HA LYS 40 57.563 0.066 2.158 277 1HB LYS 40 2HB LYS 40 54.872 -0.781 2.117 278 2HB LYS 40 1HB LYS 40 55.858 -2.215 1.918 279 1HG LYS 40 2HG LYS 40 55.824 -2.171 4.176 280 2HG LYS 40 1HG LYS 40 57.241 -1.164 3.914 281 1HD LYS 40 2HD LYS 40 54.408 -0.206 4.423 282 2HD LYS 40 1HD LYS 40 55.729 -0.173 5.580 283 1HE LYS 40 2HE LYS 40 56.820 1.584 4.479 284 2HE LYS 40 1HE LYS 40 55.969 1.295 2.955 285 1HZ LYS 40 1HZ LYS 40 54.041 1.845 4.860 286 2HZ LYS 40 3HZ LYS 40 55.265 2.998 5.080 287 3HZ LYS 40 2HZ LYS 40 54.530 2.822 3.559 288 H LEU 41 H LEU 41 56.121 -1.515 -0.667 289 HA LEU 41 HA LEU 41 57.947 -3.606 -0.968 290 1HB LEU 41 2HB LEU 41 56.182 -2.082 -2.838 291 2HB LEU 41 1HB LEU 41 57.353 -3.211 -3.504 292 HG LEU 41 HG LEU 41 55.442 -3.990 -1.313 293 1HD1 LEU 41 2HD1 LEU 41 54.988 -4.012 -4.288 294 2HD1 LEU 41 1HD1 LEU 41 54.085 -5.045 -3.178 295 3HD1 LEU 41 3HD1 LEU 41 53.980 -3.289 -3.033 296 1HD2 LEU 41 2HD2 LEU 41 57.549 -5.358 -2.004 297 2HD2 LEU 41 1HD2 LEU 41 56.012 -6.189 -1.766 298 3HD2 LEU 41 3HD2 LEU 41 56.569 -5.822 -3.398 299 H PHE 42 H PHE 42 58.110 -0.229 -1.909 300 HA PHE 42 HA PHE 42 60.460 -0.385 -3.499 301 1HB PHE 42 2HB PHE 42 58.666 1.512 -3.214 302 2HB PHE 42 1HB PHE 42 59.741 2.058 -1.935 303 HD1 PHE 42 HD1 PHE 42 62.394 1.573 -2.971 304 HD2 PHE 42 HD2 PHE 42 58.896 2.921 -5.020 305 HE1 PHE 42 HE1 PHE 42 63.806 2.690 -4.653 306 HE2 PHE 42 HE2 PHE 42 60.311 4.035 -6.701 307 HZ PHE 42 HZ PHE 42 62.766 3.919 -6.518 308 H LYS 43 H LYS 43 59.896 0.586 -0.128 309 HA LYS 43 HA LYS 43 62.577 1.038 0.567 310 1HB LYS 43 2HB LYS 43 60.154 0.299 2.178 311 2HB LYS 43 1HB LYS 43 61.709 0.716 2.904 312 1HG LYS 43 2HG LYS 43 60.957 2.617 0.848 313 2HG LYS 43 1HG LYS 43 59.698 2.473 2.056 314 1HD LYS 43 2HD LYS 43 61.205 3.057 3.843 315 2HD LYS 43 1HD LYS 43 62.598 2.946 2.773 316 1HE LYS 43 2HE LYS 43 60.767 5.180 3.248 317 2HE LYS 43 1HE LYS 43 62.406 5.179 2.599 318 1HZ LYS 43 3HZ LYS 43 61.464 4.460 0.453 319 2HZ LYS 43 2HZ LYS 43 59.901 4.617 1.102 320 3HZ LYS 43 1HZ LYS 43 60.901 5.983 0.946 321 H LYS 44 H LYS 44 60.929 -1.898 -0.065 322 HA LYS 44 HA LYS 44 62.906 -3.458 1.448 323 1HB LYS 44 2HB LYS 44 60.131 -3.723 1.153 324 2HB LYS 44 1HB LYS 44 60.815 -4.997 0.161 325 1HG LYS 44 2HG LYS 44 61.623 -4.583 3.042 326 2HG LYS 44 1HG LYS 44 60.280 -5.603 2.554 327 1HD LYS 44 2HD LYS 44 62.390 -6.401 0.886 328 2HD LYS 44 1HD LYS 44 63.149 -6.169 2.461 329 1HE LYS 44 2HE LYS 44 62.150 -8.516 1.875 330 2HE LYS 44 1HE LYS 44 61.907 -7.847 3.486 331 1HZ LYS 44 1HZ LYS 44 59.906 -7.246 1.434 332 2HZ LYS 44 3HZ LYS 44 59.939 -8.818 2.069 333 3HZ LYS 44 2HZ LYS 44 59.712 -7.490 3.104 334 H PHE 45 H PHE 45 61.213 -3.634 -1.716 335 HA PHE 45 HA PHE 45 63.383 -5.197 -2.842 336 1HB PHE 45 2HB PHE 45 60.675 -4.341 -3.713 337 2HB PHE 45 1HB PHE 45 61.870 -4.622 -4.959 338 HD1 PHE 45 HD1 PHE 45 63.184 -6.877 -4.868 339 HD2 PHE 45 HD2 PHE 45 59.436 -6.212 -2.873 340 HE1 PHE 45 HE1 PHE 45 62.799 -9.299 -4.744 341 HE2 PHE 45 HE2 PHE 45 59.080 -8.637 -2.764 342 HZ PHE 45 HZ PHE 45 60.754 -10.180 -3.696 343 H THR 46 H THR 46 62.178 -1.920 -2.976 344 HA THR 46 HA THR 46 62.879 -0.075 -4.161 345 HB THR 46 HB THR 46 64.406 0.114 -2.410 346 HG1 THR 46 HG1 THR 46 66.117 1.038 -3.413 347 1HG2 THR 46 3HG2 THR 46 65.971 -2.148 -3.659 348 2HG2 THR 46 2HG2 THR 46 66.473 -1.228 -2.240 349 3HG2 THR 46 1HG2 THR 46 65.018 -2.226 -2.177 350 H SER 47 H SER 47 62.204 -1.581 -6.106 351 HA SER 47 HA SER 47 62.562 -2.256 -8.271 352 1HB SER 47 2HB SER 47 64.265 -0.717 -9.464 353 2HB SER 47 1HB SER 47 62.793 -0.009 -8.809 354 HG SER 47 HG SER 47 64.156 1.248 -7.767 355 H LYS 48 H LYS 48 64.289 -3.494 -6.127 356 HA LYS 48 HA LYS 48 66.888 -3.952 -6.832 357 1HB LYS 48 2HB LYS 48 64.799 -5.479 -5.429 358 2HB LYS 48 1HB LYS 48 66.117 -6.453 -6.076 359 1HG LYS 48 2HG LYS 48 66.543 -4.011 -4.346 360 2HG LYS 48 1HG LYS 48 66.446 -5.650 -3.712 361 1HD LYS 48 2HD LYS 48 68.645 -5.820 -4.080 362 2HD LYS 48 1HD LYS 48 68.283 -5.826 -5.803 363 1HE LYS 48 2HE LYS 48 69.901 -4.112 -5.459 364 2HE LYS 48 1HE LYS 48 68.360 -3.297 -5.710 365 1HZ LYS 48 2HZ LYS 48 68.167 -3.264 -3.218 366 2HZ LYS 48 1HZ LYS 48 69.800 -3.731 -3.163 367 3HZ LYS 48 3HZ LYS 48 69.364 -2.258 -3.883 368 H ALA 49 H ALA 49 64.101 -5.872 -7.948 369 HA ALA 49 HA ALA 49 65.260 -7.647 -9.626 370 1HB ALA 49 2HB ALA 49 62.675 -6.146 -9.816 371 2HB ALA 49 1HB ALA 49 63.141 -7.284 -11.082 372 3HB ALA 49 3HB ALA 49 62.951 -7.843 -9.418 373 H SER 50 H SER 50 65.618 -7.722 -11.923 374 HA SER 50 HA SER 50 66.595 -6.985 -13.859 375 1HB SER 50 2HB SER 50 65.569 -5.202 -14.934 376 2HB SER 50 1HB SER 50 64.329 -5.708 -13.793 377 HG SER 50 HG SER 50 64.948 -3.348 -13.929 No H/Q in entry = 377 Start of MODEL 11 1 1H ALA 1 1H ALA 1 19.295 -29.894 9.987 2 2H ALA 1 3H ALA 1 19.106 -28.212 10.081 3 3H ALA 1 2H ALA 1 19.332 -28.957 8.571 4 HA ALA 1 HA ALA 1 21.426 -28.214 8.902 5 1HB ALA 1 3HB ALA 1 21.011 -28.734 11.865 6 2HB ALA 1 2HB ALA 1 22.490 -28.088 11.151 7 3HB ALA 1 1HB ALA 1 20.990 -27.155 11.076 8 H GLU 2 H GLU 2 20.960 -30.514 7.840 9 HA GLU 2 HA GLU 2 23.191 -32.098 8.315 10 1HB GLU 2 2HB GLU 2 21.525 -32.553 10.358 11 2HB GLU 2 1HB GLU 2 20.852 -33.694 9.197 12 1HG GLU 2 2HG GLU 2 22.475 -35.130 9.747 13 2HG GLU 2 1HG GLU 2 23.648 -34.005 9.060 14 H GLY 3 H GLY 3 21.903 -31.029 6.110 15 1HA GLY 3 2HA GLY 3 20.693 -33.315 4.743 16 2HA GLY 3 1HA GLY 3 20.556 -31.638 4.231 17 H ASP 4 H ASP 4 21.805 -34.402 3.247 18 HA ASP 4 HA ASP 4 24.530 -33.970 2.739 19 1HB ASP 4 2HB ASP 4 22.724 -35.982 2.227 20 2HB ASP 4 1HB ASP 4 23.112 -35.389 0.612 21 H ASP 5 H ASP 5 21.649 -32.900 1.070 22 HA ASP 5 HA ASP 5 22.855 -30.701 -0.159 23 1HB ASP 5 2HB ASP 5 23.996 -32.486 -1.489 24 2HB ASP 5 1HB ASP 5 22.413 -32.987 -2.082 25 HA PRO 6 HA PRO 6 18.268 -30.788 -0.271 26 1HB PRO 6 2HB PRO 6 17.881 -28.471 1.072 27 2HB PRO 6 1HB PRO 6 18.099 -30.035 1.871 28 1HG PRO 6 2HG PRO 6 19.966 -27.769 1.635 29 2HG PRO 6 1HG PRO 6 19.875 -29.035 2.869 30 1HD PRO 6 2HD PRO 6 21.696 -28.899 0.715 31 2HD PRO 6 1HD PRO 6 21.449 -30.264 1.819 32 H ALA 7 H ALA 7 20.668 -28.514 -1.244 33 HA ALA 7 HA ALA 7 20.788 -27.273 -3.194 34 1HB ALA 7 3HB ALA 7 18.541 -28.731 -3.747 35 2HB ALA 7 2HB ALA 7 17.904 -27.085 -3.727 36 3HB ALA 7 1HB ALA 7 19.233 -27.506 -4.811 37 H LYS 8 H LYS 8 17.927 -26.667 -1.178 38 HA LYS 8 HA LYS 8 17.827 -23.884 -1.561 39 1HB LYS 8 2HB LYS 8 16.292 -23.856 0.222 40 2HB LYS 8 1HB LYS 8 16.036 -25.383 -0.603 41 1HG LYS 8 2HG LYS 8 16.135 -26.217 1.572 42 2HG LYS 8 1HG LYS 8 17.864 -26.155 1.247 43 1HD LYS 8 2HD LYS 8 17.183 -25.137 3.437 44 2HD LYS 8 1HD LYS 8 18.129 -24.086 2.392 45 1HE LYS 8 2HE LYS 8 16.026 -23.126 3.599 46 2HE LYS 8 1HE LYS 8 16.309 -22.705 1.911 47 1HZ LYS 8 1HZ LYS 8 14.653 -25.041 2.631 48 2HZ LYS 8 3HZ LYS 8 13.989 -23.481 2.622 49 3HZ LYS 8 2HZ LYS 8 14.648 -24.131 1.198 50 H ALA 9 H ALA 9 19.672 -25.913 0.596 51 HA ALA 9 HA ALA 9 20.518 -24.107 2.522 52 1HB ALA 9 2HB ALA 9 21.592 -26.606 1.355 53 2HB ALA 9 1HB ALA 9 22.742 -25.593 2.232 54 3HB ALA 9 3HB ALA 9 21.289 -26.181 3.041 55 H ALA 10 H ALA 10 22.639 -25.094 -0.155 56 HA ALA 10 HA ALA 10 24.493 -23.086 -0.017 57 1HB ALA 10 3HB ALA 10 24.320 -25.146 -1.598 58 2HB ALA 10 2HB ALA 10 23.545 -24.010 -2.705 59 3HB ALA 10 1HB ALA 10 25.191 -23.712 -2.143 60 H PHE 11 H PHE 11 21.288 -22.934 -1.438 61 HA PHE 11 HA PHE 11 21.662 -20.389 -2.711 62 1HB PHE 11 2HB PHE 11 19.809 -22.382 -2.910 63 2HB PHE 11 1HB PHE 11 18.929 -21.176 -1.986 64 HD1 PHE 11 HD2 PHE 11 21.042 -21.535 -5.046 65 HD2 PHE 11 HD1 PHE 11 17.848 -19.410 -3.139 66 HE1 PHE 11 HE2 PHE 11 20.612 -20.294 -7.127 67 HE2 PHE 11 HE1 PHE 11 17.433 -18.178 -5.223 68 HZ PHE 11 HZ PHE 11 18.812 -18.617 -7.217 69 H ASN 12 H ASN 12 20.317 -21.499 0.361 70 HA ASN 12 HA ASN 12 19.412 -18.903 1.189 71 1HB ASN 12 2HB ASN 12 18.739 -21.346 1.984 72 2HB ASN 12 1HB ASN 12 20.004 -21.042 3.175 73 1HD2 ASN 12 2HD2 ASN 12 16.546 -19.753 4.186 74 2HD2 ASN 12 1HD2 ASN 12 17.024 -21.214 3.397 75 H SER 13 H SER 13 22.381 -20.694 1.407 76 HA SER 13 HA SER 13 23.549 -19.083 3.492 77 1HB SER 13 2HB SER 13 24.140 -21.535 2.475 78 2HB SER 13 1HB SER 13 25.350 -20.535 1.669 79 HG SER 13 HG SER 13 26.250 -21.101 3.600 80 H LEU 14 H LEU 14 23.394 -19.027 0.014 81 HA LEU 14 HA LEU 14 25.535 -17.197 -0.411 82 1HB LEU 14 2HB LEU 14 24.815 -18.576 -2.233 83 2HB LEU 14 1HB LEU 14 23.161 -17.990 -2.091 84 HG LEU 14 HG LEU 14 23.896 -15.729 -2.731 85 1HD1 LEU 14 2HD1 LEU 14 26.615 -17.026 -2.884 86 2HD1 LEU 14 1HD1 LEU 14 26.229 -15.562 -3.788 87 3HD1 LEU 14 3HD1 LEU 14 26.139 -15.558 -2.026 88 1HD2 LEU 14 3HD2 LEU 14 24.547 -17.978 -4.636 89 2HD2 LEU 14 2HD2 LEU 14 23.089 -16.983 -4.567 90 3HD2 LEU 14 1HD2 LEU 14 24.611 -16.284 -5.123 91 H GLN 15 H GLN 15 22.031 -16.845 -0.045 92 HA GLN 15 HA GLN 15 21.956 -14.043 -0.514 93 1HB GLN 15 2HB GLN 15 19.997 -15.556 -0.694 94 2HB GLN 15 1HB GLN 15 20.013 -15.737 1.057 95 1HG GLN 15 2HG GLN 15 18.401 -14.056 0.609 96 2HG GLN 15 1HG GLN 15 19.833 -13.192 1.172 97 1HE2 GLN 15 2HD2 GLN 15 18.593 -11.479 -1.860 98 2HE2 GLN 15 1HD2 GLN 15 17.986 -11.834 -0.282 99 H ALA 16 H ALA 16 22.399 -16.024 2.360 100 HA ALA 16 HA ALA 16 22.172 -13.864 4.226 101 1HB ALA 16 2HB ALA 16 21.872 -16.372 4.672 102 2HB ALA 16 1HB ALA 16 23.634 -16.440 4.737 103 3HB ALA 16 3HB ALA 16 22.748 -15.430 5.880 104 H SER 17 H SER 17 24.521 -14.583 1.967 105 HA SER 17 HA SER 17 26.609 -13.219 3.551 106 1HB SER 17 2HB SER 17 26.735 -15.513 1.655 107 2HB SER 17 1HB SER 17 28.082 -14.381 1.670 108 HG SER 17 HG SER 17 27.363 -16.282 3.508 109 H ALA 18 H ALA 18 24.921 -11.551 2.488 110 HA ALA 18 HA ALA 18 25.518 -10.833 -0.241 111 1HB ALA 18 3HB ALA 18 23.372 -10.412 1.354 112 2HB ALA 18 2HB ALA 18 24.201 -8.862 1.510 113 3HB ALA 18 1HB ALA 18 23.731 -9.454 -0.084 114 H THR 19 H THR 19 27.878 -10.890 0.681 115 HA THR 19 HA THR 19 28.694 -8.321 1.806 116 HB THR 19 HB THR 19 29.640 -10.552 2.552 117 HG1 THR 19 HG1 THR 19 31.600 -8.725 1.650 118 1HG2 THR 19 1HG2 THR 19 30.315 -10.737 -0.226 119 2HG2 THR 19 3HG2 THR 19 31.807 -10.659 0.710 120 3HG2 THR 19 2HG2 THR 19 30.614 -11.912 1.057 121 H GLU 20 H GLU 20 27.619 -8.670 -0.992 122 HA GLU 20 HA GLU 20 29.875 -8.042 -2.698 123 1HB GLU 20 2HB GLU 20 27.198 -8.975 -3.021 124 2HB GLU 20 1HB GLU 20 27.404 -7.517 -3.978 125 1HG GLU 20 2HG GLU 20 29.041 -10.051 -4.122 126 2HG GLU 20 1HG GLU 20 27.988 -9.386 -5.368 127 H TYR 21 H TYR 21 28.199 -6.305 -0.483 128 HA TYR 21 HA TYR 21 28.116 -3.831 -2.059 129 1HB TYR 21 2HB TYR 21 26.900 -4.675 0.551 130 2HB TYR 21 1HB TYR 21 27.015 -2.978 0.110 131 HD1 TYR 21 HD2 TYR 21 25.809 -6.270 -1.123 132 HD2 TYR 21 HD1 TYR 21 25.309 -2.025 -1.265 133 HE1 TYR 21 HE2 TYR 21 23.770 -6.549 -2.473 134 HE2 TYR 21 HE1 TYR 21 23.271 -2.318 -2.611 135 HH TYR 21 HH TYR 21 22.103 -3.814 -3.889 136 H ILE 22 H ILE 22 29.939 -5.447 0.386 137 HA ILE 22 HA ILE 22 31.198 -3.021 1.383 138 HB ILE 22 HB ILE 22 31.790 -5.945 1.857 139 1HG1 ILE 22 2HG1 ILE 22 29.574 -4.780 2.723 140 2HG1 ILE 22 1HG1 ILE 22 30.478 -5.869 3.780 141 1HG2 ILE 22 3HG2 ILE 22 33.775 -4.423 2.148 142 2HG2 ILE 22 2HG2 ILE 22 32.885 -3.589 3.419 143 3HG2 ILE 22 1HG2 ILE 22 33.314 -5.290 3.614 144 1HD1 ILE 22 2HD1 ILE 22 31.418 -3.114 4.015 145 2HD1 ILE 22 1HD1 ILE 22 29.696 -3.261 4.365 146 3HD1 ILE 22 3HD1 ILE 22 30.864 -4.231 5.262 147 H GLY 23 H GLY 23 31.857 -5.528 -0.971 148 1HA GLY 23 2HA GLY 23 34.553 -5.405 -1.384 149 2HA GLY 23 1HA GLY 23 33.385 -5.599 -2.687 150 H TYR 24 H TYR 24 32.185 -2.944 -2.126 151 HA TYR 24 HA TYR 24 33.862 -1.397 -3.862 152 1HB TYR 24 2HB TYR 24 31.319 -0.791 -2.374 153 2HB TYR 24 1HB TYR 24 32.132 0.396 -3.379 154 HD1 TYR 24 HD1 TYR 24 32.501 -0.140 -5.840 155 HD2 TYR 24 HD2 TYR 24 29.899 -2.448 -3.342 156 HE1 TYR 24 HE1 TYR 24 31.389 -1.062 -7.830 157 HE2 TYR 24 HE2 TYR 24 28.800 -3.358 -5.344 158 HH TYR 24 HH TYR 24 28.754 -2.156 -8.136 159 H ALA 25 H ALA 25 33.545 -1.702 -0.440 160 HA ALA 25 HA ALA 25 34.629 0.874 0.233 161 1HB ALA 25 2HB ALA 25 34.235 -1.644 1.850 162 2HB ALA 25 1HB ALA 25 34.795 -0.110 2.520 163 3HB ALA 25 3HB ALA 25 33.183 -0.228 1.812 164 H TRP 26 H TRP 26 36.027 -1.942 -1.002 165 HA TRP 26 HA TRP 26 38.544 -1.728 0.410 166 1HB TRP 26 2HB TRP 26 37.278 -3.602 -1.421 167 2HB TRP 26 1HB TRP 26 38.961 -3.305 -1.822 168 HD1 TRP 26 1HD TRP 26 36.832 -5.302 0.488 169 HE1 TRP 26 1HE TRP 26 38.271 -6.441 2.248 170 HE3 TRP 26 3HE TRP 26 41.255 -2.855 -0.292 171 HZ2 TRP 26 2HZ TRP 26 40.919 -6.368 3.198 172 HZ3 TRP 26 3HZ TRP 26 43.212 -3.447 1.081 173 HH2 TRP 26 HH2 TRP 26 43.049 -5.186 2.811 174 H ALA 27 H ALA 27 37.286 -0.979 -2.814 175 HA ALA 27 HA ALA 27 39.645 -0.195 -4.061 176 1HB ALA 27 1HB ALA 27 36.950 -0.186 -4.705 177 2HB ALA 27 3HB ALA 27 37.395 1.521 -4.750 178 3HB ALA 27 2HB ALA 27 38.269 0.355 -5.746 179 H MET 28 H MET 28 37.767 1.416 -1.626 180 HA MET 28 HA MET 28 39.065 3.982 -2.019 181 1HB MET 28 2HB MET 28 36.827 2.931 -0.436 182 2HB MET 28 1HB MET 28 37.801 4.113 0.417 183 1HG MET 28 2HG MET 28 36.364 4.482 -2.220 184 2HG MET 28 1HG MET 28 35.999 5.259 -0.688 185 1HE MET 28 1HE MET 28 39.207 5.608 0.148 186 2HE MET 28 3HE MET 28 39.454 7.308 -0.275 187 3HE MET 28 2HE MET 28 37.997 6.814 0.584 188 H VAL 29 H VAL 29 39.293 1.205 0.113 189 HA VAL 29 HA VAL 29 41.113 2.421 1.959 190 HB VAL 29 HB VAL 29 40.457 -0.473 1.414 191 1HG1 VAL 29 2HG1 VAL 29 42.569 0.595 2.892 192 2HG1 VAL 29 1HG1 VAL 29 41.354 0.130 4.085 193 3HG1 VAL 29 3HG1 VAL 29 41.966 -1.062 2.938 194 1HG2 VAL 29 1HG2 VAL 29 38.630 1.182 2.211 195 2HG2 VAL 29 3HG2 VAL 29 38.827 -0.345 3.073 196 3HG2 VAL 29 2HG2 VAL 29 39.494 1.142 3.750 197 H VAL 30 H VAL 30 41.377 0.596 -1.019 198 HA VAL 30 HA VAL 30 44.143 -0.024 -0.825 199 HB VAL 30 HB VAL 30 42.248 0.176 -3.162 200 1HG1 VAL 30 3HG1 VAL 30 45.120 -0.630 -3.009 201 2HG1 VAL 30 2HG1 VAL 30 44.050 -1.371 -4.200 202 3HG1 VAL 30 1HG1 VAL 30 44.301 0.375 -4.202 203 1HG2 VAL 30 1HG2 VAL 30 42.835 -1.870 -1.156 204 2HG2 VAL 30 3HG2 VAL 30 41.443 -1.696 -2.226 205 3HG2 VAL 30 2HG2 VAL 30 42.919 -2.460 -2.817 206 H VAL 31 H VAL 31 42.288 2.604 -2.311 207 HA VAL 31 HA VAL 31 44.450 3.910 -3.552 208 HB VAL 31 HB VAL 31 41.809 4.960 -2.558 209 1HG1 VAL 31 1HG1 VAL 31 44.054 6.241 -3.967 210 2HG1 VAL 31 3HG1 VAL 31 42.450 6.553 -4.632 211 3HG1 VAL 31 2HG1 VAL 31 42.798 6.944 -2.946 212 1HG2 VAL 31 2HG2 VAL 31 42.295 3.108 -4.538 213 2HG2 VAL 31 1HG2 VAL 31 40.857 4.125 -4.413 214 3HG2 VAL 31 3HG2 VAL 31 42.205 4.626 -5.434 215 H ILE 32 H ILE 32 43.408 3.737 -0.293 216 HA ILE 32 HA ILE 32 45.019 6.067 0.488 217 HB ILE 32 HB ILE 32 43.071 4.380 2.055 218 1HG1 ILE 32 2HG1 ILE 32 42.809 7.244 1.137 219 2HG1 ILE 32 1HG1 ILE 32 42.138 5.872 0.257 220 1HG2 ILE 32 3HG2 ILE 32 45.159 5.946 3.035 221 2HG2 ILE 32 2HG2 ILE 32 43.725 6.963 3.188 222 3HG2 ILE 32 1HG2 ILE 32 43.758 5.365 3.938 223 1HD1 ILE 32 3HD1 ILE 32 41.484 6.058 3.150 224 2HD1 ILE 32 2HD1 ILE 32 40.729 7.241 2.079 225 3HD1 ILE 32 1HD1 ILE 32 40.487 5.515 1.798 226 H VAL 33 H VAL 33 44.448 2.768 1.753 227 HA VAL 33 HA VAL 33 46.981 2.706 3.083 228 HB VAL 33 HB VAL 33 44.844 0.639 2.596 229 1HG1 VAL 33 1HG1 VAL 33 47.286 0.500 4.348 230 2HG1 VAL 33 3HG1 VAL 33 45.958 -0.661 4.362 231 3HG1 VAL 33 2HG1 VAL 33 46.954 -0.477 2.917 232 1HG2 VAL 33 2HG2 VAL 33 44.175 2.535 4.007 233 2HG2 VAL 33 1HG2 VAL 33 44.266 1.033 4.931 234 3HG2 VAL 33 3HG2 VAL 33 45.557 2.229 5.062 235 H GLY 34 H GLY 34 45.550 0.992 0.303 236 1HA GLY 34 2HA GLY 34 47.697 -0.635 -0.364 237 2HA GLY 34 1HA GLY 34 46.523 -0.013 -1.523 238 H ALA 35 H ALA 35 46.992 2.656 -1.523 239 HA ALA 35 HA ALA 35 49.081 3.049 -3.274 240 1HB ALA 35 2HB ALA 35 47.845 4.985 -1.313 241 2HB ALA 35 1HB ALA 35 48.942 5.463 -2.611 242 3HB ALA 35 3HB ALA 35 47.384 4.729 -2.998 243 H THR 36 H THR 36 49.161 2.826 0.183 244 HA THR 36 HA THR 36 51.872 3.859 0.411 245 HB THR 36 HB THR 36 49.800 2.832 2.327 246 HG1 THR 36 HG1 THR 36 49.767 4.890 2.951 247 1HG2 THR 36 2HG2 THR 36 52.735 3.047 2.789 248 2HG2 THR 36 1HG2 THR 36 51.637 3.546 4.080 249 3HG2 THR 36 3HG2 THR 36 51.568 1.898 3.450 250 H ILE 37 H ILE 37 50.243 0.732 1.078 251 HA ILE 37 HA ILE 37 52.500 -0.788 1.622 252 HB ILE 37 HB ILE 37 50.037 -1.667 0.125 253 1HG1 ILE 37 2HG1 ILE 37 50.641 -1.595 3.069 254 2HG1 ILE 37 1HG1 ILE 37 49.441 -0.627 2.225 255 1HG2 ILE 37 2HG2 ILE 37 52.111 -3.234 1.653 256 2HG2 ILE 37 1HG2 ILE 37 50.584 -3.898 1.063 257 3HG2 ILE 37 3HG2 ILE 37 51.790 -3.308 -0.082 258 1HD1 ILE 37 3HD1 ILE 37 48.740 -3.186 1.500 259 2HD1 ILE 37 2HD1 ILE 37 49.293 -3.404 3.162 260 3HD1 ILE 37 1HD1 ILE 37 47.994 -2.263 2.806 261 H GLY 38 H GLY 38 51.304 0.432 -1.402 262 1HA GLY 38 2HA GLY 38 52.816 -1.251 -3.144 263 2HA GLY 38 1HA GLY 38 52.070 0.290 -3.566 264 H ILE 39 H ILE 39 53.561 1.503 -1.208 265 HA ILE 39 HA ILE 39 55.999 2.123 -2.704 266 HB ILE 39 HB ILE 39 55.301 3.362 -0.077 267 1HG1 ILE 39 2HG1 ILE 39 53.200 3.569 -1.128 268 2HG1 ILE 39 1HG1 ILE 39 54.010 5.104 -1.342 269 1HG2 ILE 39 1HG2 ILE 39 57.403 3.804 -1.468 270 2HG2 ILE 39 3HG2 ILE 39 56.330 4.694 -2.550 271 3HG2 ILE 39 2HG2 ILE 39 56.496 5.194 -0.866 272 1HD1 ILE 39 1HD1 ILE 39 54.714 4.290 -3.635 273 2HD1 ILE 39 3HD1 ILE 39 53.587 2.949 -3.406 274 3HD1 ILE 39 2HD1 ILE 39 52.994 4.608 -3.424 275 H LYS 40 H LYS 40 55.009 1.050 0.505 276 HA LYS 40 HA LYS 40 57.517 0.667 1.656 277 1HB LYS 40 2HB LYS 40 54.834 0.016 2.289 278 2HB LYS 40 1HB LYS 40 55.778 -1.453 2.423 279 1HG LYS 40 2HG LYS 40 56.097 -0.683 4.522 280 2HG LYS 40 1HG LYS 40 57.457 0.110 3.741 281 1HD LYS 40 2HD LYS 40 54.744 1.325 4.338 282 2HD LYS 40 1HD LYS 40 56.241 1.671 5.187 283 1HE LYS 40 2HE LYS 40 57.112 2.922 3.411 284 2HE LYS 40 1HE LYS 40 56.033 2.181 2.221 285 1HZ LYS 40 1HZ LYS 40 54.309 3.340 3.921 286 2HZ LYS 40 3HZ LYS 40 55.599 4.440 3.947 287 3HZ LYS 40 2HZ LYS 40 54.863 4.032 2.472 288 H LEU 41 H LEU 41 55.575 -1.569 -0.284 289 HA LEU 41 HA LEU 41 57.285 -3.783 -0.194 290 1HB LEU 41 2HB LEU 41 55.210 -2.810 -2.118 291 2HB LEU 41 1HB LEU 41 56.196 -4.203 -2.547 292 HG LEU 41 HG LEU 41 54.518 -3.921 -0.046 293 1HD1 LEU 41 2HD1 LEU 41 54.069 -5.488 -2.584 294 2HD1 LEU 41 1HD1 LEU 41 53.150 -5.732 -1.097 295 3HD1 LEU 41 3HD1 LEU 41 53.075 -4.181 -1.937 296 1HD2 LEU 41 3HD2 LEU 41 56.653 -5.757 -0.729 297 2HD2 LEU 41 2HD2 LEU 41 55.782 -5.562 0.792 298 3HD2 LEU 41 1HD2 LEU 41 55.133 -6.613 -0.469 299 H PHE 42 H PHE 42 57.441 -0.829 -2.037 300 HA PHE 42 HA PHE 42 59.373 -1.742 -3.947 301 1HB PHE 42 2HB PHE 42 57.724 0.269 -4.065 302 2HB PHE 42 1HB PHE 42 58.991 1.132 -3.204 303 HD1 PHE 42 HD1 PHE 42 58.515 -1.064 -6.186 304 HD2 PHE 42 HD2 PHE 42 60.633 2.198 -4.427 305 HE1 PHE 42 HE1 PHE 42 59.688 -0.676 -8.320 306 HE2 PHE 42 HE2 PHE 42 61.807 2.585 -6.560 307 HZ PHE 42 HZ PHE 42 61.334 1.148 -8.506 308 H LYS 43 H LYS 43 59.556 0.402 -1.110 309 HA LYS 43 HA LYS 43 62.321 0.815 -1.125 310 1HB LYS 43 2HB LYS 43 60.266 0.864 1.061 311 2HB LYS 43 1HB LYS 43 61.945 1.343 1.314 312 1HG LYS 43 2HG LYS 43 60.857 2.546 -1.089 313 2HG LYS 43 1HG LYS 43 59.860 2.916 0.304 314 1HD LYS 43 2HD LYS 43 61.723 3.880 1.501 315 2HD LYS 43 1HD LYS 43 62.859 3.321 0.278 316 1HE LYS 43 2HE LYS 43 61.205 5.738 0.343 317 2HE LYS 43 1HE LYS 43 62.688 5.404 -0.548 318 1HZ LYS 43 2HZ LYS 43 61.365 4.166 -2.171 319 2HZ LYS 43 1HZ LYS 43 59.946 4.565 -1.328 320 3HZ LYS 43 3HZ LYS 43 60.870 5.787 -2.056 321 H LYS 44 H LYS 44 60.450 -1.918 -0.075 322 HA LYS 44 HA LYS 44 62.524 -3.019 1.599 323 1HB LYS 44 2HB LYS 44 59.906 -3.352 1.671 324 2HB LYS 44 1HB LYS 44 60.228 -4.618 0.508 325 1HG LYS 44 2HG LYS 44 61.433 -5.924 2.050 326 2HG LYS 44 1HG LYS 44 61.689 -4.558 3.141 327 1HD LYS 44 2HD LYS 44 59.444 -4.566 3.863 328 2HD LYS 44 1HD LYS 44 58.924 -5.589 2.526 329 1HE LYS 44 2HE LYS 44 59.508 -6.441 5.111 330 2HE LYS 44 1HE LYS 44 59.427 -7.498 3.705 331 1HZ LYS 44 2HZ LYS 44 61.887 -6.131 4.661 332 2HZ LYS 44 1HZ LYS 44 61.478 -7.745 5.001 333 3HZ LYS 44 3HZ LYS 44 61.782 -7.267 3.403 334 H PHE 45 H PHE 45 61.323 -3.482 -1.682 335 HA PHE 45 HA PHE 45 63.162 -5.670 -2.238 336 1HB PHE 45 2HB PHE 45 60.931 -4.308 -3.653 337 2HB PHE 45 1HB PHE 45 62.164 -5.074 -4.628 338 HD1 PHE 45 HD2 PHE 45 62.701 -7.559 -4.192 339 HD2 PHE 45 HD1 PHE 45 59.173 -5.624 -2.693 340 HE1 PHE 45 HE2 PHE 45 61.622 -9.741 -3.864 341 HE2 PHE 45 HE1 PHE 45 58.120 -7.814 -2.377 342 HZ PHE 45 HZ PHE 45 59.337 -9.872 -2.961 343 H THR 46 H THR 46 62.783 -2.255 -3.020 344 HA THR 46 HA THR 46 65.079 -2.258 -4.774 345 HB THR 46 HB THR 46 64.550 0.062 -5.101 346 HG1 THR 46 HG1 THR 46 63.022 1.098 -3.859 347 1HG2 THR 46 3HG2 THR 46 62.877 -2.047 -5.728 348 2HG2 THR 46 2HG2 THR 46 61.785 -0.830 -5.060 349 3HG2 THR 46 1HG2 THR 46 62.820 -0.430 -6.433 350 H SER 47 H SER 47 64.232 -0.889 -1.613 351 HA SER 47 HA SER 47 67.015 -0.042 -1.240 352 1HB SER 47 2HB SER 47 64.974 0.438 0.857 353 2HB SER 47 1HB SER 47 66.266 1.481 0.279 354 HG SER 47 HG SER 47 64.935 2.287 -1.175 355 H LYS 48 H LYS 48 66.445 -2.859 -1.232 356 HA LYS 48 HA LYS 48 66.078 -4.095 1.179 357 1HB LYS 48 2HB LYS 48 67.583 -4.709 -1.277 358 2HB LYS 48 1HB LYS 48 68.123 -5.576 0.157 359 1HG LYS 48 2HG LYS 48 65.785 -6.373 0.504 360 2HG LYS 48 1HG LYS 48 65.322 -5.551 -0.988 361 1HD LYS 48 2HD LYS 48 67.498 -7.626 -0.871 362 2HD LYS 48 1HD LYS 48 65.812 -8.035 -1.167 363 1HE LYS 48 2HE LYS 48 65.826 -7.151 -3.272 364 2HE LYS 48 1HE LYS 48 66.965 -5.877 -2.844 365 1HZ LYS 48 2HZ LYS 48 67.912 -8.648 -2.871 366 2HZ LYS 48 1HZ LYS 48 67.666 -7.867 -4.360 367 3HZ LYS 48 3HZ LYS 48 68.748 -7.213 -3.228 368 H ALA 49 H ALA 49 69.299 -3.319 -0.127 369 HA ALA 49 HA ALA 49 70.374 -1.945 1.925 370 1HB ALA 49 3HB ALA 49 70.113 -4.795 2.596 371 2HB ALA 49 2HB ALA 49 71.715 -4.109 2.878 372 3HB ALA 49 1HB ALA 49 70.300 -3.400 3.659 373 H SER 50 H SER 50 70.817 -1.778 -0.645 374 HA SER 50 HA SER 50 72.479 -1.586 -2.212 375 1HB SER 50 2HB SER 50 74.657 -1.429 -1.478 376 2HB SER 50 1HB SER 50 73.787 -1.195 0.034 377 HG SER 50 HG SER 50 75.511 -3.160 -0.661 No H/Q in entry = 377 Start of MODEL 12 1 1H ALA 1 1H ALA 1 -5.797 -11.009 -2.232 2 2H ALA 1 3H ALA 1 -6.889 -9.838 -1.671 3 3H ALA 1 2H ALA 1 -7.128 -10.564 -3.189 4 HA ALA 1 HA ALA 1 -5.710 -9.231 -4.230 5 1HB ALA 1 1HB ALA 1 -7.119 -7.646 -2.924 6 2HB ALA 1 3HB ALA 1 -5.914 -7.669 -1.635 7 3HB ALA 1 2HB ALA 1 -5.499 -7.003 -3.216 8 H GLU 2 H GLU 2 -4.205 -11.252 -3.358 9 HA GLU 2 HA GLU 2 -2.036 -11.884 -2.968 10 1HB GLU 2 2HB GLU 2 -1.366 -8.947 -3.146 11 2HB GLU 2 1HB GLU 2 -0.295 -10.315 -3.442 12 1HG GLU 2 2HG GLU 2 -2.782 -9.844 -5.080 13 2HG GLU 2 1HG GLU 2 -1.227 -9.123 -5.500 14 H GLY 3 H GLY 3 -0.039 -11.188 -1.483 15 1HA GLY 3 2HA GLY 3 -0.887 -11.426 1.176 16 2HA GLY 3 1HA GLY 3 0.746 -11.003 0.662 17 H ASP 4 H ASP 4 -0.819 -9.959 2.915 18 HA ASP 4 HA ASP 4 -0.578 -7.103 2.270 19 1HB ASP 4 2HB ASP 4 -3.039 -8.199 2.347 20 2HB ASP 4 1HB ASP 4 -2.822 -7.831 4.058 21 H ASP 5 H ASP 5 1.443 -8.150 3.476 22 HA ASP 5 HA ASP 5 1.622 -6.908 5.978 23 1HB ASP 5 2HB ASP 5 0.153 -9.039 6.414 24 2HB ASP 5 1HB ASP 5 1.707 -9.872 6.360 25 HA PRO 6 HA PRO 6 5.650 -7.937 4.130 26 1HB PRO 6 2HB PRO 6 6.759 -5.498 4.494 27 2HB PRO 6 1HB PRO 6 5.730 -5.903 3.113 28 1HG PRO 6 2HG PRO 6 5.132 -4.257 5.480 29 2HG PRO 6 1HG PRO 6 4.424 -4.205 3.859 30 1HD PRO 6 2HD PRO 6 3.289 -5.376 6.167 31 2HD PRO 6 1HD PRO 6 2.696 -5.505 4.501 32 H ALA 7 H ALA 7 4.787 -6.561 7.207 33 HA ALA 7 HA ALA 7 5.740 -6.663 9.291 34 1HB ALA 7 2HB ALA 7 5.636 -9.105 8.728 35 2HB ALA 7 1HB ALA 7 7.304 -8.988 8.159 36 3HB ALA 7 3HB ALA 7 6.924 -8.677 9.855 37 H LYS 8 H LYS 8 7.040 -5.133 7.087 38 HA LYS 8 HA LYS 8 8.970 -4.111 6.497 39 1HB LYS 8 2HB LYS 8 10.019 -3.240 8.718 40 2HB LYS 8 1HB LYS 8 8.577 -2.586 8.008 41 1HG LYS 8 2HG LYS 8 7.178 -3.847 9.539 42 2HG LYS 8 1HG LYS 8 8.579 -4.726 10.144 43 1HD LYS 8 2HD LYS 8 7.639 -2.759 11.564 44 2HD LYS 8 1HD LYS 8 9.378 -2.925 11.378 45 1HE LYS 8 2HE LYS 8 8.406 -0.572 11.118 46 2HE LYS 8 1HE LYS 8 9.502 -1.115 9.849 47 1HZ LYS 8 3HZ LYS 8 6.865 -1.864 9.192 48 2HZ LYS 8 2HZ LYS 8 6.882 -0.214 9.590 49 3HZ LYS 8 1HZ LYS 8 7.903 -0.806 8.370 50 H ALA 9 H ALA 9 10.048 -5.951 5.737 51 HA ALA 9 HA ALA 9 12.001 -7.261 7.473 52 1HB ALA 9 1HB ALA 9 10.500 -8.258 5.469 53 2HB ALA 9 3HB ALA 9 11.960 -7.838 4.570 54 3HB ALA 9 2HB ALA 9 12.057 -8.943 5.943 55 H ALA 10 H ALA 10 11.884 -5.248 4.560 56 HA ALA 10 HA ALA 10 14.752 -5.012 4.370 57 1HB ALA 10 1HB ALA 10 12.399 -4.072 2.857 58 2HB ALA 10 3HB ALA 10 13.797 -2.995 2.823 59 3HB ALA 10 2HB ALA 10 13.957 -4.666 2.276 60 H PHE 11 H PHE 11 12.176 -3.331 5.960 61 HA PHE 11 HA PHE 11 13.620 -0.871 6.379 62 1HB PHE 11 2HB PHE 11 10.959 -1.847 6.817 63 2HB PHE 11 1HB PHE 11 11.570 -1.155 8.308 64 HD1 PHE 11 HD2 PHE 11 12.532 1.216 8.246 65 HD2 PHE 11 HD1 PHE 11 10.216 -0.442 5.041 66 HE1 PHE 11 HE2 PHE 11 12.075 3.476 7.392 67 HE2 PHE 11 HE1 PHE 11 9.773 1.824 4.202 68 HZ PHE 11 HZ PHE 11 10.698 3.782 5.373 69 H ASN 12 H ASN 12 12.542 -3.484 8.565 70 HA ASN 12 HA ASN 12 13.902 -2.662 10.851 71 1HB ASN 12 2HB ASN 12 12.196 -4.548 10.601 72 2HB ASN 12 1HB ASN 12 13.552 -5.557 10.092 73 1HD2 ASN 12 2HD2 ASN 12 13.822 -6.334 13.513 74 2HD2 ASN 12 1HD2 ASN 12 13.298 -6.865 11.954 75 H SER 13 H SER 13 15.000 -4.800 8.232 76 HA SER 13 HA SER 13 17.541 -5.401 9.299 77 1HB SER 13 2HB SER 13 16.222 -6.306 7.162 78 2HB SER 13 1HB SER 13 17.245 -5.116 6.353 79 HG SER 13 HG SER 13 18.868 -6.428 6.597 80 H LEU 14 H LEU 14 16.293 -2.623 7.627 81 HA LEU 14 HA LEU 14 18.716 -1.470 6.785 82 1HB LEU 14 2HB LEU 14 16.298 -0.835 6.184 83 2HB LEU 14 1HB LEU 14 16.288 0.089 7.674 84 HG LEU 14 HG LEU 14 16.818 1.630 6.002 85 1HD1 LEU 14 2HD1 LEU 14 18.382 1.593 8.035 86 2HD1 LEU 14 1HD1 LEU 14 19.591 0.930 6.935 87 3HD1 LEU 14 3HD1 LEU 14 18.899 2.522 6.628 88 1HD2 LEU 14 1HD2 LEU 14 17.377 -0.075 4.244 89 2HD2 LEU 14 3HD2 LEU 14 18.422 1.347 4.238 90 3HD2 LEU 14 2HD2 LEU 14 19.000 -0.167 4.932 91 H GLN 15 H GLN 15 16.857 -1.186 9.777 92 HA GLN 15 HA GLN 15 18.530 0.724 11.042 93 1HB GLN 15 2HB GLN 15 16.275 0.383 11.819 94 2HB GLN 15 1HB GLN 15 16.592 -1.314 12.147 95 1HG GLN 15 2HG GLN 15 18.346 -0.529 13.811 96 2HG GLN 15 1HG GLN 15 17.672 1.088 13.615 97 1HE2 GLN 15 2HD2 GLN 15 15.696 0.120 16.381 98 2HE2 GLN 15 1HD2 GLN 15 17.123 0.957 15.882 99 H ALA 16 H ALA 16 18.461 -2.797 10.985 100 HA ALA 16 HA ALA 16 20.744 -2.981 12.794 101 1HB ALA 16 2HB ALA 16 18.619 -4.734 11.904 102 2HB ALA 16 1HB ALA 16 20.196 -5.516 11.778 103 3HB ALA 16 3HB ALA 16 19.657 -4.861 13.325 104 H SER 17 H SER 17 20.731 -1.949 9.850 105 HA SER 17 HA SER 17 23.176 -3.391 9.096 106 1HB SER 17 2HB SER 17 20.866 -2.835 7.231 107 2HB SER 17 1HB SER 17 22.444 -3.435 6.737 108 HG SER 17 HG SER 17 20.540 -4.709 8.429 109 H ALA 18 H ALA 18 23.656 -1.190 10.248 110 HA ALA 18 HA ALA 18 23.456 1.122 8.497 111 1HB ALA 18 2HB ALA 18 23.834 0.667 11.293 112 2HB ALA 18 1HB ALA 18 25.172 1.646 10.687 113 3HB ALA 18 3HB ALA 18 23.508 2.186 10.454 114 H THR 19 H THR 19 25.477 -1.500 8.588 115 HA THR 19 HA THR 19 27.912 -0.003 7.941 116 HB THR 19 HB THR 19 27.925 -1.998 9.498 117 HG1 THR 19 HG1 THR 19 29.841 -1.300 8.619 118 1HG2 THR 19 3HG2 THR 19 26.756 -3.277 7.189 119 2HG2 THR 19 2HG2 THR 19 28.289 -4.047 7.593 120 3HG2 THR 19 1HG2 THR 19 27.015 -3.931 8.808 121 H GLU 20 H GLU 20 25.534 -0.064 6.195 122 HA GLU 20 HA GLU 20 26.332 -1.645 3.905 123 1HB GLU 20 2HB GLU 20 23.917 -0.949 4.805 124 2HB GLU 20 1HB GLU 20 24.193 0.409 3.723 125 1HG GLU 20 2HG GLU 20 24.748 -1.329 1.927 126 2HG GLU 20 1HG GLU 20 24.052 -2.523 3.027 127 H TYR 21 H TYR 21 26.839 1.481 5.114 128 HA TYR 21 HA TYR 21 27.476 2.654 2.522 129 1HB TYR 21 2HB TYR 21 27.261 3.685 5.319 130 2HB TYR 21 1HB TYR 21 28.160 4.604 4.120 131 HD1 TYR 21 HD2 TYR 21 26.997 5.438 2.075 132 HD2 TYR 21 HD1 TYR 21 24.877 3.601 5.299 133 HE1 TYR 21 HE2 TYR 21 24.884 6.381 1.231 134 HE2 TYR 21 HE1 TYR 21 22.771 4.548 4.447 135 HH TYR 21 HH TYR 21 21.830 5.387 2.383 136 H ILE 22 H ILE 22 29.061 1.086 5.154 137 HA ILE 22 HA ILE 22 31.679 2.166 4.484 138 HB ILE 22 HB ILE 22 30.743 0.130 6.501 139 1HG1 ILE 22 2HG1 ILE 22 30.217 2.646 6.795 140 2HG1 ILE 22 1HG1 ILE 22 30.965 1.806 8.162 141 1HG2 ILE 22 2HG2 ILE 22 33.025 -0.441 5.835 142 2HG2 ILE 22 1HG2 ILE 22 33.546 1.221 6.120 143 3HG2 ILE 22 3HG2 ILE 22 33.020 0.218 7.473 144 1HD1 ILE 22 3HD1 ILE 22 33.109 2.807 6.619 145 2HD1 ILE 22 2HD1 ILE 22 31.915 4.103 6.702 146 3HD1 ILE 22 1HD1 ILE 22 32.539 3.382 8.184 147 H GLY 23 H GLY 23 29.734 -0.371 3.360 148 1HA GLY 23 2HA GLY 23 31.720 -2.347 2.842 149 2HA GLY 23 1HA GLY 23 30.131 -2.241 2.083 150 H TYR 24 H TYR 24 30.292 0.255 0.894 151 HA TYR 24 HA TYR 24 31.800 -0.331 -1.459 152 1HB TYR 24 2HB TYR 24 30.538 2.300 -0.712 153 2HB TYR 24 1HB TYR 24 30.923 1.719 -2.323 154 HD1 TYR 24 HD1 TYR 24 29.728 -0.411 -3.136 155 HD2 TYR 24 HD2 TYR 24 28.388 1.886 0.218 156 HE1 TYR 24 HE1 TYR 24 27.493 -1.423 -3.322 157 HE2 TYR 24 HE2 TYR 24 26.162 0.866 0.016 158 HH TYR 24 HH TYR 24 25.000 -0.552 -2.545 159 H ALA 25 H ALA 25 32.424 1.432 1.452 160 HA ALA 25 HA ALA 25 34.477 3.153 0.519 161 1HB ALA 25 3HB ALA 25 33.307 3.425 2.691 162 2HB ALA 25 2HB ALA 25 34.121 1.974 3.280 163 3HB ALA 25 1HB ALA 25 35.062 3.408 2.863 164 H TRP 26 H TRP 26 34.388 -0.200 1.478 165 HA TRP 26 HA TRP 26 37.090 -0.692 1.975 166 1HB TRP 26 2HB TRP 26 34.716 -2.249 1.456 167 2HB TRP 26 1HB TRP 26 36.095 -2.941 0.625 168 HD1 TRP 26 1HD TRP 26 34.406 -3.162 3.841 169 HE1 TRP 26 1HE TRP 26 35.956 -4.105 5.637 170 HE3 TRP 26 3HE TRP 26 38.918 -2.702 1.461 171 HZ2 TRP 26 2HZ TRP 26 38.686 -4.608 6.035 172 HZ3 TRP 26 3HZ TRP 26 40.965 -3.441 2.612 173 HH2 TRP 26 HH2 TRP 26 40.854 -4.385 4.879 174 H ALA 27 H ALA 27 35.392 -0.125 -1.000 175 HA ALA 27 HA ALA 27 37.386 -1.191 -2.757 176 1HB ALA 27 2HB ALA 27 34.788 -0.319 -3.045 177 2HB ALA 27 1HB ALA 27 35.718 0.950 -3.845 178 3HB ALA 27 3HB ALA 27 35.884 -0.726 -4.367 179 H MET 28 H MET 28 36.564 2.067 -1.618 180 HA MET 28 HA MET 28 38.649 3.367 -3.059 181 1HB MET 28 2HB MET 28 36.554 4.113 -1.152 182 2HB MET 28 1HB MET 28 38.036 5.025 -0.931 183 1HG MET 28 2HG MET 28 36.251 5.983 -2.531 184 2HG MET 28 1HG MET 28 37.917 5.981 -3.079 185 1HE MET 28 2HE MET 28 34.850 6.061 -4.218 186 2HE MET 28 1HE MET 28 35.859 6.248 -5.650 187 3HE MET 28 3HE MET 28 34.647 4.962 -5.581 188 H VAL 29 H VAL 29 38.320 2.097 0.212 189 HA VAL 29 HA VAL 29 40.641 3.143 1.354 190 HB VAL 29 HB VAL 29 39.263 0.507 1.844 191 1HG1 VAL 29 1HG1 VAL 29 41.248 2.018 3.538 192 2HG1 VAL 29 3HG1 VAL 29 40.335 0.603 4.062 193 3HG1 VAL 29 2HG1 VAL 29 41.507 0.461 2.751 194 1HG2 VAL 29 3HG2 VAL 29 38.506 3.212 2.377 195 2HG2 VAL 29 2HG2 VAL 29 37.637 1.723 2.755 196 3HG2 VAL 29 1HG2 VAL 29 38.800 2.382 3.907 197 H VAL 30 H VAL 30 40.145 0.342 -0.722 198 HA VAL 30 HA VAL 30 42.693 -0.828 -0.413 199 HB VAL 30 HB VAL 30 40.727 -0.924 -2.698 200 1HG1 VAL 30 3HG1 VAL 30 43.362 -2.110 -2.322 201 2HG1 VAL 30 2HG1 VAL 30 42.103 -3.289 -2.699 202 3HG1 VAL 30 1HG1 VAL 30 42.397 -1.929 -3.785 203 1HG2 VAL 30 3HG2 VAL 30 40.429 -1.844 -0.116 204 2HG2 VAL 30 2HG2 VAL 30 39.542 -2.423 -1.529 205 3HG2 VAL 30 1HG2 VAL 30 40.995 -3.269 -0.988 206 H VAL 31 H VAL 31 41.422 1.683 -2.534 207 HA VAL 31 HA VAL 31 43.718 1.846 -4.211 208 HB VAL 31 HB VAL 31 41.489 3.802 -3.694 209 1HG1 VAL 31 2HG1 VAL 31 43.878 3.921 -5.364 210 2HG1 VAL 31 1HG1 VAL 31 42.380 4.236 -6.240 211 3HG1 VAL 31 3HG1 VAL 31 42.798 5.209 -4.830 212 1HG2 VAL 31 1HG2 VAL 31 40.777 1.583 -4.554 213 2HG2 VAL 31 3HG2 VAL 31 40.469 2.895 -5.693 214 3HG2 VAL 31 2HG2 VAL 31 41.841 1.814 -5.944 215 H ILE 32 H ILE 32 42.938 3.026 -1.100 216 HA ILE 32 HA ILE 32 44.969 5.130 -1.178 217 HB ILE 32 HB ILE 32 43.078 4.277 1.011 218 1HG1 ILE 32 2HG1 ILE 32 42.991 6.649 -0.861 219 2HG1 ILE 32 1HG1 ILE 32 41.943 5.235 -0.943 220 1HG2 ILE 32 2HG2 ILE 32 45.254 6.292 0.877 221 2HG2 ILE 32 1HG2 ILE 32 43.767 6.754 1.710 222 3HG2 ILE 32 3HG2 ILE 32 44.674 5.337 2.244 223 1HD1 ILE 32 1HD1 ILE 32 42.055 6.664 1.659 224 2HD1 ILE 32 3HD1 ILE 32 41.232 7.485 0.332 225 3HD1 ILE 32 2HD1 ILE 32 40.690 5.889 0.853 226 H VAL 33 H VAL 33 44.213 2.162 0.635 227 HA VAL 33 HA VAL 33 46.590 2.129 2.161 228 HB VAL 33 HB VAL 33 44.623 -0.019 1.392 229 1HG1 VAL 33 3HG1 VAL 33 47.145 -0.154 2.826 230 2HG1 VAL 33 2HG1 VAL 33 45.782 -0.779 3.758 231 3HG1 VAL 33 1HG1 VAL 33 46.143 -1.445 2.164 232 1HG2 VAL 33 3HG2 VAL 33 43.721 1.876 2.706 233 2HG2 VAL 33 2HG2 VAL 33 43.677 0.347 3.587 234 3HG2 VAL 33 1HG2 VAL 33 44.920 1.544 3.959 235 H GLY 34 H GLY 34 45.784 1.121 -1.060 236 1HA GLY 34 2HA GLY 34 47.869 -0.762 -1.471 237 2HA GLY 34 1HA GLY 34 46.979 0.089 -2.734 238 H ALA 35 H ALA 35 47.588 2.670 -2.424 239 HA ALA 35 HA ALA 35 50.027 3.071 -3.624 240 1HB ALA 35 1HB ALA 35 48.032 4.711 -3.011 241 2HB ALA 35 3HB ALA 35 49.111 5.139 -1.682 242 3HB ALA 35 2HB ALA 35 49.653 5.322 -3.351 243 H THR 36 H THR 36 49.321 2.593 -0.261 244 HA THR 36 HA THR 36 51.857 3.452 0.764 245 HB THR 36 HB THR 36 49.567 1.845 1.881 246 HG1 THR 36 HG1 THR 36 49.178 4.035 1.711 247 1HG2 THR 36 2HG2 THR 36 52.219 2.480 3.137 248 2HG2 THR 36 1HG2 THR 36 50.765 2.269 4.116 249 3HG2 THR 36 3HG2 THR 36 51.345 0.946 3.102 250 H ILE 37 H ILE 37 50.382 0.255 0.155 251 HA ILE 37 HA ILE 37 52.480 -1.372 0.933 252 HB ILE 37 HB ILE 37 50.654 -1.776 -1.431 253 1HG1 ILE 37 2HG1 ILE 37 49.305 -1.301 0.488 254 2HG1 ILE 37 1HG1 ILE 37 49.262 -3.036 0.220 255 1HG2 ILE 37 3HG2 ILE 37 52.634 -3.309 -1.237 256 2HG2 ILE 37 2HG2 ILE 37 51.976 -3.854 0.308 257 3HG2 ILE 37 1HG2 ILE 37 51.063 -4.112 -1.181 258 1HD1 ILE 37 1HD1 ILE 37 51.419 -2.753 1.910 259 2HD1 ILE 37 3HD1 ILE 37 50.295 -1.530 2.504 260 3HD1 ILE 37 2HD1 ILE 37 49.789 -3.218 2.402 261 H GLY 38 H GLY 38 52.026 0.427 -2.051 262 1HA GLY 38 2HA GLY 38 54.013 -0.654 -3.665 263 2HA GLY 38 1HA GLY 38 53.497 1.034 -3.706 264 H ILE 39 H ILE 39 54.367 2.384 -1.896 265 HA ILE 39 HA ILE 39 57.097 2.668 -2.065 266 HB ILE 39 HB ILE 39 55.268 3.430 0.212 267 1HG1 ILE 39 2HG1 ILE 39 56.188 5.504 -1.637 268 2HG1 ILE 39 1HG1 ILE 39 55.202 4.270 -2.411 269 1HG2 ILE 39 3HG2 ILE 39 58.124 3.764 -0.191 270 2HG2 ILE 39 2HG2 ILE 39 57.287 5.299 0.049 271 3HG2 ILE 39 1HG2 ILE 39 57.146 4.020 1.255 272 1HD1 ILE 39 3HD1 ILE 39 54.124 5.142 0.160 273 2HD1 ILE 39 2HD1 ILE 39 54.239 6.444 -1.026 274 3HD1 ILE 39 1HD1 ILE 39 53.324 4.983 -1.406 275 H LYS 40 H LYS 40 55.262 0.891 0.419 276 HA LYS 40 HA LYS 40 57.342 0.186 2.111 277 1HB LYS 40 2HB LYS 40 54.654 -0.469 1.859 278 2HB LYS 40 1HB LYS 40 55.503 -1.988 1.678 279 1HG LYS 40 2HG LYS 40 55.350 -2.018 3.925 280 2HG LYS 40 1HG LYS 40 56.846 -1.103 3.794 281 1HD LYS 40 2HD LYS 40 54.059 0.037 4.139 282 2HD LYS 40 1HD LYS 40 55.282 -0.069 5.392 283 1HE LYS 40 2HE LYS 40 56.577 1.643 4.455 284 2HE LYS 40 1HE LYS 40 55.834 1.470 2.857 285 1HZ LYS 40 3HZ LYS 40 53.723 2.113 4.340 286 2HZ LYS 40 2HZ LYS 40 54.941 2.959 5.168 287 3HZ LYS 40 1HZ LYS 40 54.680 3.244 3.514 288 H LEU 41 H LEU 41 56.141 -1.573 -0.727 289 HA LEU 41 HA LEU 41 57.944 -3.708 -0.662 290 1HB LEU 41 2HB LEU 41 56.346 -2.372 -2.806 291 2HB LEU 41 1HB LEU 41 57.532 -3.589 -3.258 292 HG LEU 41 HG LEU 41 55.452 -4.083 -1.138 293 1HD1 LEU 41 2HD1 LEU 41 55.215 -4.454 -4.117 294 2HD1 LEU 41 1HD1 LEU 41 54.196 -5.313 -2.958 295 3HD1 LEU 41 3HD1 LEU 41 54.145 -3.550 -3.041 296 1HD2 LEU 41 3HD2 LEU 41 57.499 -5.578 -1.376 297 2HD2 LEU 41 2HD2 LEU 41 55.928 -6.378 -1.427 298 3HD2 LEU 41 1HD2 LEU 41 56.818 -6.090 -2.923 299 H PHE 42 H PHE 42 58.354 -0.415 -1.674 300 HA PHE 42 HA PHE 42 60.725 -0.789 -3.228 301 1HB PHE 42 2HB PHE 42 59.056 1.188 -3.200 302 2HB PHE 42 1HB PHE 42 60.002 1.764 -1.834 303 HD1 PHE 42 HD1 PHE 42 62.681 1.582 -2.330 304 HD2 PHE 42 HD2 PHE 42 59.590 2.069 -5.241 305 HE1 PHE 42 HE1 PHE 42 64.304 2.583 -3.893 306 HE2 PHE 42 HE2 PHE 42 61.217 3.062 -6.802 307 HZ PHE 42 HZ PHE 42 63.574 3.321 -6.127 308 H LYS 43 H LYS 43 60.100 0.170 0.135 309 HA LYS 43 HA LYS 43 62.736 0.765 0.854 310 1HB LYS 43 2HB LYS 43 60.386 -0.218 2.444 311 2HB LYS 43 1HB LYS 43 61.935 0.142 3.202 312 1HG LYS 43 2HG LYS 43 60.690 2.187 1.395 313 2HG LYS 43 1HG LYS 43 60.042 1.993 3.012 314 1HD LYS 43 2HD LYS 43 61.765 3.064 3.972 315 2HD LYS 43 1HD LYS 43 62.963 2.205 3.017 316 1HE LYS 43 2HE LYS 43 62.605 4.813 2.759 317 2HE LYS 43 1HE LYS 43 63.001 3.811 1.367 318 1HZ LYS 43 1HZ LYS 43 60.178 4.210 2.060 319 2HZ LYS 43 3HZ LYS 43 61.013 5.481 1.308 320 3HZ LYS 43 2HZ LYS 43 60.896 3.971 0.540 321 H LYS 44 H LYS 44 61.301 -2.262 0.127 322 HA LYS 44 HA LYS 44 63.270 -3.774 1.656 323 1HB LYS 44 2HB LYS 44 60.942 -4.564 1.557 324 2HB LYS 44 1HB LYS 44 61.063 -4.731 -0.182 325 1HG LYS 44 2HG LYS 44 63.253 -6.135 0.988 326 2HG LYS 44 1HG LYS 44 61.776 -6.619 1.827 327 1HD LYS 44 2HD LYS 44 60.786 -6.816 -0.588 328 2HD LYS 44 1HD LYS 44 62.473 -6.896 -1.083 329 1HE LYS 44 2HE LYS 44 60.999 -9.097 -0.400 330 2HE LYS 44 1HE LYS 44 62.754 -9.014 -0.306 331 1HZ LYS 44 3HZ LYS 44 60.915 -8.368 1.934 332 2HZ LYS 44 2HZ LYS 44 61.700 -9.860 1.724 333 3HZ LYS 44 1HZ LYS 44 62.607 -8.451 2.004 334 H PHE 45 H PHE 45 62.259 -3.551 -1.771 335 HA PHE 45 HA PHE 45 64.683 -4.873 -2.639 336 1HB PHE 45 2HB PHE 45 62.195 -3.899 -3.935 337 2HB PHE 45 1HB PHE 45 63.641 -3.974 -4.916 338 HD1 PHE 45 HD2 PHE 45 64.982 -6.178 -4.941 339 HD2 PHE 45 HD1 PHE 45 60.918 -5.890 -3.589 340 HE1 PHE 45 HE2 PHE 45 64.685 -8.597 -5.268 341 HE2 PHE 45 HE1 PHE 45 60.646 -8.307 -3.925 342 HZ PHE 45 HZ PHE 45 62.523 -9.662 -4.763 343 H THR 46 H THR 46 63.322 -1.600 -2.889 344 HA THR 46 HA THR 46 64.280 0.351 -3.678 345 HB THR 46 HB THR 46 64.949 0.511 -1.450 346 HG1 THR 46 HG1 THR 46 67.145 1.306 -1.613 347 1HG2 THR 46 2HG2 THR 46 67.045 -1.579 -2.049 348 2HG2 THR 46 1HG2 THR 46 66.882 -0.722 -0.513 349 3HG2 THR 46 3HG2 THR 46 65.591 -1.790 -1.072 350 H SER 47 H SER 47 64.669 -1.581 -5.594 351 HA SER 47 HA SER 47 65.972 -2.192 -7.385 352 1HB SER 47 2HB SER 47 67.552 -0.264 -8.107 353 2HB SER 47 1HB SER 47 65.813 0.000 -8.135 354 HG SER 47 HG SER 47 67.603 0.749 -6.042 355 H LYS 48 H LYS 48 66.917 -3.728 -5.655 356 HA LYS 48 HA LYS 48 69.333 -3.409 -4.396 357 1HB LYS 48 2HB LYS 48 68.000 -5.787 -5.645 358 2HB LYS 48 1HB LYS 48 69.607 -5.944 -4.943 359 1HG LYS 48 2HG LYS 48 67.459 -4.647 -3.314 360 2HG LYS 48 1HG LYS 48 67.438 -6.396 -3.506 361 1HD LYS 48 2HD LYS 48 69.979 -6.197 -2.854 362 2HD LYS 48 1HD LYS 48 69.467 -4.668 -2.146 363 1HE LYS 48 2HE LYS 48 69.308 -6.280 -0.412 364 2HE LYS 48 1HE LYS 48 67.657 -5.972 -0.941 365 1HZ LYS 48 1HZ LYS 48 69.099 -8.137 -2.259 366 2HZ LYS 48 3HZ LYS 48 68.626 -8.398 -0.651 367 3HZ LYS 48 2HZ LYS 48 67.459 -8.025 -1.828 368 H ALA 49 H ALA 49 68.792 -4.488 -7.734 369 HA ALA 49 HA ALA 49 71.254 -5.111 -8.618 370 1HB ALA 49 3HB ALA 49 68.917 -3.805 -9.864 371 2HB ALA 49 2HB ALA 49 70.439 -3.688 -10.749 372 3HB ALA 49 1HB ALA 49 69.778 -5.272 -10.332 373 H SER 50 H SER 50 70.215 -1.887 -9.586 374 HA SER 50 HA SER 50 72.918 -0.908 -9.353 375 1HB SER 50 2HB SER 50 72.178 0.969 -10.568 376 2HB SER 50 1HB SER 50 71.287 -0.389 -11.244 377 HG SER 50 HG SER 50 69.562 0.231 -9.746 No H/Q in entry = 377 Start of MODEL 13 1 1H ALA 1 2H ALA 1 19.911 28.033 -22.083 2 2H ALA 1 1H ALA 1 21.601 28.027 -21.912 3 3H ALA 1 3H ALA 1 20.870 27.090 -23.121 4 HA ALA 1 HA ALA 1 21.128 25.435 -21.661 5 1HB ALA 1 2HB ALA 1 22.429 26.862 -20.094 6 2HB ALA 1 1HB ALA 1 20.914 27.466 -19.416 7 3HB ALA 1 3HB ALA 1 21.345 25.764 -19.233 8 H GLU 2 H GLU 2 19.617 24.038 -20.833 9 HA GLU 2 HA GLU 2 16.949 24.412 -21.360 10 1HB GLU 2 2HB GLU 2 18.453 22.544 -19.589 11 2HB GLU 2 1HB GLU 2 16.693 22.566 -19.500 12 1HG GLU 2 2HG GLU 2 17.163 22.524 -22.217 13 2HG GLU 2 1HG GLU 2 18.446 21.493 -21.581 14 H GLY 3 H GLY 3 15.310 25.446 -20.402 15 1HA GLY 3 2HA GLY 3 15.797 26.766 -17.844 16 2HA GLY 3 1HA GLY 3 14.560 27.211 -19.010 17 H ASP 4 H ASP 4 14.064 24.144 -19.172 18 HA ASP 4 HA ASP 4 12.341 24.002 -16.776 19 1HB ASP 4 2HB ASP 4 11.359 24.170 -19.209 20 2HB ASP 4 1HB ASP 4 11.751 22.452 -19.262 21 H ASP 5 H ASP 5 14.277 23.039 -15.754 22 HA ASP 5 HA ASP 5 14.741 20.263 -16.542 23 1HB ASP 5 2HB ASP 5 16.623 22.081 -16.189 24 2HB ASP 5 1HB ASP 5 16.421 21.623 -14.497 25 HA PRO 6 HA PRO 6 12.301 19.602 -12.776 26 1HB PRO 6 2HB PRO 6 11.181 17.271 -13.564 27 2HB PRO 6 1HB PRO 6 10.563 18.858 -14.041 28 1HG PRO 6 2HG PRO 6 12.026 16.864 -15.632 29 2HG PRO 6 1HG PRO 6 10.935 18.152 -16.161 30 1HD PRO 6 2HD PRO 6 13.773 18.166 -16.232 31 2HD PRO 6 1HD PRO 6 12.677 19.501 -16.627 32 H ALA 7 H ALA 7 15.113 18.375 -13.763 33 HA ALA 7 HA ALA 7 15.399 15.813 -12.741 34 1HB ALA 7 1HB ALA 7 17.400 18.079 -12.702 35 2HB ALA 7 3HB ALA 7 17.785 16.370 -12.482 36 3HB ALA 7 2HB ALA 7 17.144 16.940 -14.025 37 H LYS 8 H LYS 8 14.978 18.816 -11.068 38 HA LYS 8 HA LYS 8 16.121 18.343 -8.598 39 1HB LYS 8 2HB LYS 8 14.441 19.885 -7.725 40 2HB LYS 8 1HB LYS 8 15.099 20.465 -9.246 41 1HG LYS 8 2HG LYS 8 13.097 19.406 -10.391 42 2HG LYS 8 1HG LYS 8 12.436 19.119 -8.783 43 1HD LYS 8 2HD LYS 8 11.680 21.248 -10.038 44 2HD LYS 8 1HD LYS 8 12.119 21.388 -8.343 45 1HE LYS 8 2HE LYS 8 13.018 23.194 -9.904 46 2HE LYS 8 1HE LYS 8 14.202 22.413 -8.859 47 1HZ LYS 8 1HZ LYS 8 13.972 20.975 -11.275 48 2HZ LYS 8 3HZ LYS 8 14.232 22.613 -11.629 49 3HZ LYS 8 2HZ LYS 8 15.328 21.776 -10.638 50 H ALA 9 H ALA 9 13.103 17.147 -9.945 51 HA ALA 9 HA ALA 9 11.965 16.091 -7.598 52 1HB ALA 9 3HB ALA 9 11.040 16.363 -10.059 53 2HB ALA 9 2HB ALA 9 11.595 14.694 -10.209 54 3HB ALA 9 1HB ALA 9 10.401 15.121 -8.980 55 H ALA 10 H ALA 10 13.473 14.192 -10.208 56 HA ALA 10 HA ALA 10 13.776 11.819 -8.803 57 1HB ALA 10 3HB ALA 10 14.856 12.987 -11.253 58 2HB ALA 10 2HB ALA 10 15.972 11.861 -10.477 59 3HB ALA 10 1HB ALA 10 14.349 11.330 -10.922 60 H PHE 11 H PHE 11 15.935 14.611 -8.976 61 HA PHE 11 HA PHE 11 18.133 13.506 -7.609 62 1HB PHE 11 2HB PHE 11 17.661 15.869 -8.823 63 2HB PHE 11 1HB PHE 11 17.530 16.362 -7.145 64 HD1 PHE 11 HD1 PHE 11 19.454 15.713 -5.557 65 HD2 PHE 11 HD2 PHE 11 19.802 15.621 -9.827 66 HE1 PHE 11 HE1 PHE 11 21.906 15.775 -5.369 67 HE2 PHE 11 HE2 PHE 11 22.248 15.685 -9.620 68 HZ PHE 11 HZ PHE 11 23.303 15.760 -7.396 69 H ASN 12 H ASN 12 15.188 15.062 -6.458 70 HA ASN 12 HA ASN 12 15.947 15.206 -3.716 71 1HB ASN 12 2HB ASN 12 14.076 16.488 -4.881 72 2HB ASN 12 1HB ASN 12 13.125 15.009 -4.751 73 1HD2 ASN 12 2HD2 ASN 12 12.178 15.682 -1.496 74 2HD2 ASN 12 1HD2 ASN 12 11.868 14.941 -3.026 75 H SER 13 H SER 13 14.316 12.802 -5.701 76 HA SER 13 HA SER 13 13.439 11.077 -3.650 77 1HB SER 13 2HB SER 13 13.064 11.073 -6.287 78 2HB SER 13 1HB SER 13 14.400 9.922 -6.220 79 HG SER 13 HG SER 13 13.160 8.703 -4.718 80 H LEU 14 H LEU 14 16.547 11.627 -5.095 81 HA LEU 14 HA LEU 14 17.845 9.235 -4.362 82 1HB LEU 14 2HB LEU 14 18.764 10.834 -5.980 83 2HB LEU 14 1HB LEU 14 18.964 12.015 -4.691 84 HG LEU 14 HG LEU 14 20.263 9.850 -3.632 85 1HD1 LEU 14 1HD1 LEU 14 19.908 8.600 -5.788 86 2HD1 LEU 14 3HD1 LEU 14 20.990 9.761 -6.565 87 3HD1 LEU 14 2HD1 LEU 14 21.592 8.723 -5.272 88 1HD2 LEU 14 2HD2 LEU 14 21.471 12.011 -5.382 89 2HD2 LEU 14 1HD2 LEU 14 21.301 12.019 -3.618 90 3HD2 LEU 14 3HD2 LEU 14 22.415 10.895 -4.397 91 H GLN 15 H GLN 15 17.054 12.144 -2.621 92 HA GLN 15 HA GLN 15 18.782 12.137 -0.482 93 1HB GLN 15 2HB GLN 15 16.901 13.757 -0.994 94 2HB GLN 15 1HB GLN 15 15.821 12.610 -0.214 95 1HG GLN 15 2HG GLN 15 16.385 14.154 1.480 96 2HG GLN 15 1HG GLN 15 17.402 12.750 1.802 97 1HE2 GLN 15 2HD2 GLN 15 19.999 15.113 2.026 98 2HE2 GLN 15 1HD2 GLN 15 18.911 14.086 2.891 99 H ALA 16 H ALA 16 16.255 9.871 -1.214 100 HA ALA 16 HA ALA 16 16.273 8.691 1.451 101 1HB ALA 16 1HB ALA 16 14.180 8.880 0.108 102 2HB ALA 16 3HB ALA 16 14.866 7.733 -1.043 103 3HB ALA 16 2HB ALA 16 14.546 7.230 0.618 104 H SER 17 H SER 17 18.599 8.657 -0.613 105 HA SER 17 HA SER 17 19.559 6.053 0.083 106 1HB SER 17 2HB SER 17 19.214 6.539 -2.864 107 2HB SER 17 1HB SER 17 19.671 5.048 -2.050 108 HG SER 17 HG SER 17 17.585 4.791 -1.370 109 H ALA 18 H ALA 18 20.897 7.967 0.939 110 HA ALA 18 HA ALA 18 22.696 9.164 -1.018 111 1HB ALA 18 1HB ALA 18 22.087 9.574 1.866 112 2HB ALA 18 3HB ALA 18 23.669 10.073 1.266 113 3HB ALA 18 2HB ALA 18 22.203 10.753 0.557 114 H THR 19 H THR 19 22.945 6.392 -0.902 115 HA THR 19 HA THR 19 25.363 5.865 0.667 116 HB THR 19 HB THR 19 23.383 4.268 0.585 117 HG1 THR 19 HG1 THR 19 25.255 3.498 1.409 118 1HG2 THR 19 3HG2 THR 19 23.897 4.396 -2.215 119 2HG2 THR 19 2HG2 THR 19 24.298 2.768 -1.674 120 3HG2 THR 19 1HG2 THR 19 22.688 3.423 -1.375 121 H GLU 20 H GLU 20 25.206 7.599 -1.785 122 HA GLU 20 HA GLU 20 26.783 6.131 -3.740 123 1HB GLU 20 2HB GLU 20 25.040 8.380 -3.746 124 2HB GLU 20 1HB GLU 20 26.611 8.905 -4.332 125 1HG GLU 20 2HG GLU 20 25.080 8.103 -6.139 126 2HG GLU 20 1HG GLU 20 26.602 7.216 -6.062 127 H TYR 21 H TYR 21 27.495 7.551 -0.897 128 HA TYR 21 HA TYR 21 30.139 8.471 -1.837 129 1HB TYR 21 2HB TYR 21 28.256 9.627 0.166 130 2HB TYR 21 1HB TYR 21 29.984 9.861 0.379 131 HD1 TYR 21 HD1 TYR 21 31.274 11.178 -1.260 132 HD2 TYR 21 HD2 TYR 21 27.043 10.689 -1.626 133 HE1 TYR 21 HE1 TYR 21 31.193 13.037 -2.870 134 HE2 TYR 21 HE2 TYR 21 26.974 12.551 -3.238 135 HH TYR 21 HH TYR 21 29.820 14.489 -3.949 136 H ILE 22 H ILE 22 28.472 6.303 0.260 137 HA ILE 22 HA ILE 22 30.764 5.989 2.024 138 HB ILE 22 HB ILE 22 28.095 4.566 2.000 139 1HG1 ILE 22 2HG1 ILE 22 29.046 7.002 3.580 140 2HG1 ILE 22 1HG1 ILE 22 27.636 6.866 2.524 141 1HG2 ILE 22 3HG2 ILE 22 30.358 4.495 4.019 142 2HG2 ILE 22 2HG2 ILE 22 28.724 3.928 4.365 143 3HG2 ILE 22 1HG2 ILE 22 29.675 3.154 3.100 144 1HD1 ILE 22 1HD1 ILE 22 27.394 4.884 4.568 145 2HD1 ILE 22 3HD1 ILE 22 27.797 6.423 5.330 146 3HD1 ILE 22 2HD1 ILE 22 26.386 6.302 4.278 147 H GLY 23 H GLY 23 29.048 4.054 -0.415 148 1HA GLY 23 2HA GLY 23 30.471 1.659 -0.064 149 2HA GLY 23 1HA GLY 23 29.699 2.171 -1.565 150 H TYR 24 H TYR 24 30.997 4.141 -2.552 151 HA TYR 24 HA TYR 24 33.344 3.186 -3.645 152 1HB TYR 24 2HB TYR 24 32.753 6.107 -3.231 153 2HB TYR 24 1HB TYR 24 33.690 5.373 -4.522 154 HD1 TYR 24 HD1 TYR 24 32.489 3.813 -6.149 155 HD2 TYR 24 HD2 TYR 24 30.399 6.422 -3.471 156 HE1 TYR 24 HE1 TYR 24 30.455 3.606 -7.516 157 HE2 TYR 24 HE2 TYR 24 28.377 6.194 -4.845 158 HH TYR 24 HH TYR 24 28.175 3.926 -7.490 159 H ALA 25 H ALA 25 32.869 4.896 -0.632 160 HA ALA 25 HA ALA 25 35.505 5.742 -0.152 161 1HB ALA 25 2HB ALA 25 33.070 5.370 1.418 162 2HB ALA 25 1HB ALA 25 34.543 5.084 2.345 163 3HB ALA 25 3HB ALA 25 34.300 6.628 1.526 164 H TRP 26 H TRP 26 34.082 2.597 -0.127 165 HA TRP 26 HA TRP 26 36.134 1.370 1.495 166 1HB TRP 26 2HB TRP 26 33.611 0.578 0.263 167 2HB TRP 26 1HB TRP 26 34.853 -0.648 0.125 168 HD1 TRP 26 1HD TRP 26 32.414 0.816 2.547 169 HE1 TRP 26 1HE TRP 26 32.710 -0.259 4.836 170 HE3 TRP 26 3HE TRP 26 36.820 -1.657 1.777 171 HZ2 TRP 26 2HZ TRP 26 34.534 -1.929 6.173 172 HZ3 TRP 26 3HZ TRP 26 37.790 -2.981 3.611 173 HH2 TRP 26 HH2 TRP 26 36.660 -3.119 5.791 174 H ALA 27 H ALA 27 35.175 1.251 -1.931 175 HA ALA 27 HA ALA 27 37.211 -0.357 -2.906 176 1HB ALA 27 2HB ALA 27 35.525 1.809 -4.077 177 2HB ALA 27 1HB ALA 27 36.902 1.221 -5.011 178 3HB ALA 27 3HB ALA 27 35.630 0.103 -4.516 179 H MET 28 H MET 28 37.318 2.920 -1.796 180 HA MET 28 HA MET 28 39.869 3.530 -3.014 181 1HB MET 28 2HB MET 28 37.852 4.949 -1.412 182 2HB MET 28 1HB MET 28 39.504 5.389 -1.028 183 1HG MET 28 2HG MET 28 38.149 5.559 -3.727 184 2HG MET 28 1HG MET 28 38.673 6.894 -2.713 185 1HE MET 28 3HE MET 28 40.496 8.020 -2.761 186 2HE MET 28 2HE MET 28 42.055 7.677 -3.510 187 3HE MET 28 1HE MET 28 40.692 8.171 -4.514 188 H VAL 29 H VAL 29 38.634 2.529 0.118 189 HA VAL 29 HA VAL 29 40.985 2.809 1.630 190 HB VAL 29 HB VAL 29 38.609 0.969 1.868 191 1HG1 VAL 29 3HG1 VAL 29 41.041 1.198 3.575 192 2HG1 VAL 29 2HG1 VAL 29 39.477 0.906 4.340 193 3HG1 VAL 29 1HG1 VAL 29 40.098 -0.228 3.138 194 1HG2 VAL 29 1HG2 VAL 29 38.566 3.584 2.147 195 2HG2 VAL 29 3HG2 VAL 29 37.678 2.543 3.262 196 3HG2 VAL 29 2HG2 VAL 29 39.243 3.209 3.732 197 H VAL 30 H VAL 30 39.909 0.359 -0.620 198 HA VAL 30 HA VAL 30 41.865 -1.596 0.120 199 HB VAL 30 HB VAL 30 39.524 -1.694 -1.207 200 1HG1 VAL 30 2HG1 VAL 30 40.519 -0.645 -3.229 201 2HG1 VAL 30 1HG1 VAL 30 41.588 -2.040 -3.374 202 3HG1 VAL 30 3HG1 VAL 30 39.841 -2.248 -3.522 203 1HG2 VAL 30 2HG2 VAL 30 40.706 -3.538 -0.121 204 2HG2 VAL 30 1HG2 VAL 30 40.063 -4.008 -1.696 205 3HG2 VAL 30 3HG2 VAL 30 41.784 -3.663 -1.513 206 H VAL 31 H VAL 31 41.736 1.089 -2.097 207 HA VAL 31 HA VAL 31 44.102 0.315 -3.544 208 HB VAL 31 HB VAL 31 42.474 2.845 -3.514 209 1HG1 VAL 31 2HG1 VAL 31 44.813 3.204 -4.223 210 2HG1 VAL 31 1HG1 VAL 31 44.587 1.994 -5.486 211 3HG1 VAL 31 3HG1 VAL 31 43.647 3.487 -5.516 212 1HG2 VAL 31 1HG2 VAL 31 41.349 0.758 -4.339 213 2HG2 VAL 31 3HG2 VAL 31 41.481 2.041 -5.543 214 3HG2 VAL 31 2HG2 VAL 31 42.582 0.661 -5.599 215 H ILE 32 H ILE 32 43.341 2.135 -0.729 216 HA ILE 32 HA ILE 32 45.901 3.531 -0.690 217 HB ILE 32 HB ILE 32 43.603 3.476 1.265 218 1HG1 ILE 32 2HG1 ILE 32 44.525 5.508 -0.771 219 2HG1 ILE 32 1HG1 ILE 32 43.021 4.593 -0.790 220 1HG2 ILE 32 1HG2 ILE 32 45.782 3.895 2.373 221 2HG2 ILE 32 3HG2 ILE 32 46.043 5.260 1.286 222 3HG2 ILE 32 2HG2 ILE 32 44.702 5.289 2.433 223 1HD1 ILE 32 3HD1 ILE 32 42.361 5.716 1.334 224 2HD1 ILE 32 2HD1 ILE 32 43.823 6.698 1.230 225 3HD1 ILE 32 1HD1 ILE 32 42.572 6.844 -0.007 226 H VAL 33 H VAL 33 44.413 0.685 0.635 227 HA VAL 33 HA VAL 33 46.332 0.291 2.730 228 HB VAL 33 HB VAL 33 44.129 -1.341 1.496 229 1HG1 VAL 33 2HG1 VAL 33 45.970 -2.186 3.725 230 2HG1 VAL 33 1HG1 VAL 33 44.502 -3.031 3.228 231 3HG1 VAL 33 3HG1 VAL 33 45.866 -2.907 2.117 232 1HG2 VAL 33 1HG2 VAL 33 43.727 0.615 3.095 233 2HG2 VAL 33 3HG2 VAL 33 42.948 -0.922 3.478 234 3HG2 VAL 33 2HG2 VAL 33 44.405 -0.431 4.346 235 H GLY 34 H GLY 34 45.925 -0.632 -0.619 236 1HA GLY 34 2HA GLY 34 48.099 -2.562 -0.563 237 2HA GLY 34 1HA GLY 34 47.153 -2.084 -1.975 238 H ALA 35 H ALA 35 47.462 0.571 -2.161 239 HA ALA 35 HA ALA 35 49.914 0.981 -3.379 240 1HB ALA 35 1HB ALA 35 47.975 2.481 -3.651 241 2HB ALA 35 3HB ALA 35 48.205 3.064 -2.002 242 3HB ALA 35 2HB ALA 35 49.435 3.378 -3.228 243 H THR 36 H THR 36 48.992 1.267 -0.036 244 HA THR 36 HA THR 36 51.269 2.636 0.949 245 HB THR 36 HB THR 36 49.275 0.752 2.201 246 HG1 THR 36 HG1 THR 36 48.712 2.954 1.508 247 1HG2 THR 36 3HG2 THR 36 51.383 0.584 3.452 248 2HG2 THR 36 2HG2 THR 36 51.414 2.342 3.627 249 3HG2 THR 36 1HG2 THR 36 50.131 1.400 4.392 250 H ILE 37 H ILE 37 50.488 -0.764 0.452 251 HA ILE 37 HA ILE 37 52.973 -1.754 1.511 252 HB ILE 37 HB ILE 37 50.881 -3.064 -0.216 253 1HG1 ILE 37 2HG1 ILE 37 51.308 -3.107 2.758 254 2HG1 ILE 37 1HG1 ILE 37 49.987 -2.313 1.912 255 1HG2 ILE 37 2HG2 ILE 37 53.209 -4.096 -0.199 256 2HG2 ILE 37 1HG2 ILE 37 52.911 -4.459 1.503 257 3HG2 ILE 37 3HG2 ILE 37 51.866 -5.145 0.259 258 1HD1 ILE 37 2HD1 ILE 37 50.528 -5.283 1.742 259 2HD1 ILE 37 1HD1 ILE 37 49.411 -4.561 2.903 260 3HD1 ILE 37 3HD1 ILE 37 49.099 -4.417 1.172 261 H GLY 38 H GLY 38 51.796 -0.632 -1.551 262 1HA GLY 38 2HA GLY 38 53.711 -1.852 -3.259 263 2HA GLY 38 1HA GLY 38 52.747 -0.420 -3.625 264 H ILE 39 H ILE 39 53.499 1.370 -1.816 265 HA ILE 39 HA ILE 39 56.002 2.268 -2.809 266 HB ILE 39 HB ILE 39 54.334 3.255 -0.498 267 1HG1 ILE 39 2HG1 ILE 39 54.383 4.814 -2.969 268 2HG1 ILE 39 1HG1 ILE 39 53.696 3.210 -3.187 269 1HG2 ILE 39 1HG2 ILE 39 56.601 4.511 -2.026 270 2HG2 ILE 39 3HG2 ILE 39 55.546 5.382 -0.911 271 3HG2 ILE 39 2HG2 ILE 39 56.576 4.079 -0.314 272 1HD1 ILE 39 2HD1 ILE 39 52.636 4.247 -0.772 273 2HD1 ILE 39 1HD1 ILE 39 52.500 5.514 -1.993 274 3HD1 ILE 39 3HD1 ILE 39 51.785 3.928 -2.285 275 H LYS 40 H LYS 40 54.978 0.802 0.253 276 HA LYS 40 HA LYS 40 57.397 1.141 1.655 277 1HB LYS 40 2HB LYS 40 54.909 -0.143 2.099 278 2HB LYS 40 1HB LYS 40 56.171 -1.332 2.348 279 1HG LYS 40 2HG LYS 40 56.116 -0.479 4.444 280 2HG LYS 40 1HG LYS 40 57.306 0.609 3.742 281 1HD LYS 40 2HD LYS 40 54.343 1.141 4.099 282 2HD LYS 40 1HD LYS 40 55.640 1.851 5.042 283 1HE LYS 40 2HE LYS 40 56.325 3.245 3.290 284 2HE LYS 40 1HE LYS 40 55.539 2.251 2.054 285 1HZ LYS 40 2HZ LYS 40 53.678 3.245 3.962 286 2HZ LYS 40 1HZ LYS 40 54.534 4.505 3.209 287 3HZ LYS 40 3HZ LYS 40 53.676 3.385 2.269 288 H LEU 41 H LEU 41 56.299 -1.318 -0.602 289 HA LEU 41 HA LEU 41 58.391 -3.167 -0.267 290 1HB LEU 41 2HB LEU 41 56.443 -2.526 -2.430 291 2HB LEU 41 1HB LEU 41 57.805 -3.564 -2.831 292 HG LEU 41 HG LEU 41 55.791 -4.019 -0.623 293 1HD1 LEU 41 3HD1 LEU 41 56.026 -4.964 -3.411 294 2HD1 LEU 41 2HD1 LEU 41 55.579 -6.175 -2.209 295 3HD1 LEU 41 1HD1 LEU 41 54.594 -4.725 -2.409 296 1HD2 LEU 41 3HD2 LEU 41 58.433 -5.184 -1.105 297 2HD2 LEU 41 2HD2 LEU 41 57.411 -5.246 0.332 298 3HD2 LEU 41 1HD2 LEU 41 57.148 -6.386 -0.988 299 H PHE 42 H PHE 42 58.175 -0.173 -2.078 300 HA PHE 42 HA PHE 42 60.534 -0.512 -3.629 301 1HB PHE 42 2HB PHE 42 59.021 1.069 -4.446 302 2HB PHE 42 1HB PHE 42 58.789 1.805 -2.875 303 HD1 PHE 42 HD2 PHE 42 62.205 1.121 -4.057 304 HD2 PHE 42 HD1 PHE 42 59.069 4.017 -3.840 305 HE1 PHE 42 HE2 PHE 42 63.799 2.900 -4.663 306 HE2 PHE 42 HE1 PHE 42 60.668 5.788 -4.443 307 HZ PHE 42 HZ PHE 42 63.030 5.231 -4.856 308 H LYS 43 H LYS 43 59.855 1.461 -0.753 309 HA LYS 43 HA LYS 43 62.269 2.535 -0.165 310 1HB LYS 43 2HB LYS 43 60.186 1.351 1.635 311 2HB LYS 43 1HB LYS 43 61.592 2.214 2.264 312 1HG LYS 43 2HG LYS 43 60.347 3.657 0.074 313 2HG LYS 43 1HG LYS 43 59.190 3.324 1.349 314 1HD LYS 43 2HD LYS 43 60.576 4.416 3.007 315 2HD LYS 43 1HD LYS 43 61.892 4.594 1.852 316 1HE LYS 43 2HE LYS 43 59.500 6.254 2.263 317 2HE LYS 43 1HE LYS 43 61.074 6.678 1.594 318 1HZ LYS 43 1HZ LYS 43 60.412 5.641 -0.496 319 2HZ LYS 43 3HZ LYS 43 58.889 5.271 0.152 320 3HZ LYS 43 2HZ LYS 43 59.349 6.893 -0.062 321 H LYS 44 H LYS 44 61.453 -0.863 0.062 322 HA LYS 44 HA LYS 44 63.948 -1.443 1.476 323 1HB LYS 44 2HB LYS 44 61.745 -2.491 2.135 324 2HB LYS 44 1HB LYS 44 61.797 -3.383 0.625 325 1HG LYS 44 2HG LYS 44 64.224 -3.578 2.324 326 2HG LYS 44 1HG LYS 44 62.769 -4.343 2.949 327 1HD LYS 44 2HD LYS 44 62.556 -5.434 0.627 328 2HD LYS 44 1HD LYS 44 64.205 -4.880 0.348 329 1HE LYS 44 2HE LYS 44 63.284 -7.161 1.964 330 2HE LYS 44 1HE LYS 44 64.861 -6.841 1.245 331 1HZ LYS 44 1HZ LYS 44 65.288 -5.291 3.099 332 2HZ LYS 44 3HZ LYS 44 63.824 -5.766 3.809 333 3HZ LYS 44 2HZ LYS 44 65.072 -6.899 3.602 334 H PHE 45 H PHE 45 62.248 -2.458 -1.501 335 HA PHE 45 HA PHE 45 64.481 -3.921 -2.524 336 1HB PHE 45 2HB PHE 45 61.807 -3.110 -3.523 337 2HB PHE 45 1HB PHE 45 63.037 -3.481 -4.711 338 HD1 PHE 45 HD1 PHE 45 64.287 -5.709 -4.540 339 HD2 PHE 45 HD2 PHE 45 60.629 -4.903 -2.440 340 HE1 PHE 45 HE1 PHE 45 63.902 -8.121 -4.250 341 HE2 PHE 45 HE2 PHE 45 60.268 -7.317 -2.166 342 HZ PHE 45 HZ PHE 45 61.899 -8.925 -3.067 343 H THR 46 H THR 46 63.176 -0.690 -3.230 344 HA THR 46 HA THR 46 64.015 0.986 -4.593 345 HB THR 46 HB THR 46 65.155 1.536 -2.632 346 HG1 THR 46 HG1 THR 46 66.770 2.575 -3.522 347 1HG2 THR 46 3HG2 THR 46 67.009 -0.779 -3.194 348 2HG2 THR 46 2HG2 THR 46 67.208 0.378 -1.876 349 3HG2 THR 46 1HG2 THR 46 65.797 -0.684 -1.916 350 H SER 47 H SER 47 64.048 -1.571 -5.887 351 HA SER 47 HA SER 47 64.950 -2.679 -7.684 352 1HB SER 47 2HB SER 47 66.197 -0.884 -9.237 353 2HB SER 47 1HB SER 47 64.445 -1.012 -9.136 354 HG SER 47 HG SER 47 66.188 0.881 -7.974 355 H LYS 48 H LYS 48 66.506 -3.222 -5.612 356 HA LYS 48 HA LYS 48 69.148 -2.445 -5.542 357 1HB LYS 48 2HB LYS 48 68.060 -5.227 -5.098 358 2HB LYS 48 1HB LYS 48 69.601 -4.616 -4.505 359 1HG LYS 48 2HG LYS 48 67.818 -2.760 -3.522 360 2HG LYS 48 1HG LYS 48 66.891 -4.254 -3.439 361 1HD LYS 48 2HD LYS 48 67.961 -4.353 -1.413 362 2HD LYS 48 1HD LYS 48 69.146 -5.187 -2.414 363 1HE LYS 48 2HE LYS 48 69.209 -2.268 -1.623 364 2HE LYS 48 1HE LYS 48 70.248 -3.541 -0.991 365 1HZ LYS 48 1HZ LYS 48 71.146 -3.859 -3.209 366 2HZ LYS 48 3HZ LYS 48 70.142 -2.634 -3.815 367 3HZ LYS 48 2HZ LYS 48 71.361 -2.254 -2.695 368 H ALA 49 H ALA 49 67.675 -5.026 -7.482 369 HA ALA 49 HA ALA 49 69.806 -6.161 -8.703 370 1HB ALA 49 1HB ALA 49 67.311 -6.613 -9.049 371 2HB ALA 49 3HB ALA 49 67.385 -5.368 -10.297 372 3HB ALA 49 2HB ALA 49 68.370 -6.826 -10.444 373 H SER 50 H SER 50 70.760 -5.852 -10.848 374 HA SER 50 HA SER 50 72.066 -4.602 -12.264 375 1HB SER 50 2HB SER 50 69.391 -3.901 -12.640 376 2HB SER 50 1HB SER 50 70.251 -2.367 -12.575 377 HG SER 50 HG SER 50 71.241 -4.517 -14.127 No H/Q in entry = 377 Start of MODEL 14 1 1H ALA 1 1H ALA 1 16.258 6.841 -9.063 2 2H ALA 1 3H ALA 1 17.477 6.925 -10.241 3 3H ALA 1 2H ALA 1 16.379 8.209 -10.065 4 HA ALA 1 HA ALA 1 15.293 7.274 -11.746 5 1HB ALA 1 2HB ALA 1 16.615 4.652 -10.971 6 2HB ALA 1 1HB ALA 1 15.585 4.880 -12.387 7 3HB ALA 1 3HB ALA 1 17.130 5.730 -12.270 8 H GLU 2 H GLU 2 13.615 7.893 -10.190 9 HA GLU 2 HA GLU 2 11.598 6.001 -9.958 10 1HB GLU 2 2HB GLU 2 12.961 4.911 -8.270 11 2HB GLU 2 1HB GLU 2 13.133 6.429 -7.392 12 1HG GLU 2 2HG GLU 2 10.690 6.468 -7.018 13 2HG GLU 2 1HG GLU 2 10.549 4.924 -7.857 14 H GLY 3 H GLY 3 10.024 7.415 -10.345 15 1HA GLY 3 2HA GLY 3 8.407 8.926 -9.425 16 2HA GLY 3 1HA GLY 3 9.713 9.704 -8.539 17 H ASP 4 H ASP 4 9.659 11.761 -9.312 18 HA ASP 4 HA ASP 4 9.944 12.124 -12.230 19 1HB ASP 4 2HB ASP 4 7.828 12.994 -10.764 20 2HB ASP 4 1HB ASP 4 8.901 14.390 -10.661 21 H ASP 5 H ASP 5 12.219 12.027 -11.981 22 HA ASP 5 HA ASP 5 14.275 13.041 -11.928 23 1HB ASP 5 2HB ASP 5 12.908 15.095 -12.558 24 2HB ASP 5 1HB ASP 5 12.932 15.508 -10.844 25 HA PRO 6 HA PRO 6 14.971 12.222 -7.576 26 1HB PRO 6 2HB PRO 6 17.599 11.619 -7.769 27 2HB PRO 6 1HB PRO 6 16.307 10.496 -8.218 28 1HG PRO 6 2HG PRO 6 18.132 12.048 -9.936 29 2HG PRO 6 1HG PRO 6 17.296 10.521 -10.261 30 1HD PRO 6 2HD PRO 6 16.557 13.081 -11.189 31 2HD PRO 6 1HD PRO 6 15.605 11.590 -11.306 32 H ALA 7 H ALA 7 15.724 14.929 -9.202 33 HA ALA 7 HA ALA 7 17.908 16.103 -7.928 34 1HB ALA 7 1HB ALA 7 16.487 16.965 -9.900 35 2HB ALA 7 3HB ALA 7 15.436 17.653 -8.661 36 3HB ALA 7 2HB ALA 7 17.127 18.154 -8.762 37 H LYS 8 H LYS 8 14.456 16.509 -7.095 38 HA LYS 8 HA LYS 8 15.244 17.381 -4.409 39 1HB LYS 8 2HB LYS 8 12.533 17.529 -5.715 40 2HB LYS 8 1HB LYS 8 13.082 18.368 -4.278 41 1HG LYS 8 2HG LYS 8 14.391 18.769 -6.951 42 2HG LYS 8 1HG LYS 8 12.984 19.709 -6.447 43 1HD LYS 8 2HD LYS 8 14.140 20.877 -4.820 44 2HD LYS 8 1HD LYS 8 15.236 19.549 -4.489 45 1HE LYS 8 2HE LYS 8 15.734 21.910 -6.015 46 2HE LYS 8 1HE LYS 8 16.839 20.572 -5.695 47 1HZ LYS 8 1HZ LYS 8 14.836 20.557 -7.894 48 2HZ LYS 8 3HZ LYS 8 16.439 21.075 -8.087 49 3HZ LYS 8 2HZ LYS 8 16.115 19.465 -7.652 50 H ALA 9 H ALA 9 13.192 15.062 -6.127 51 HA ALA 9 HA ALA 9 11.891 13.920 -3.933 52 1HB ALA 9 2HB ALA 9 12.365 13.225 -6.733 53 2HB ALA 9 1HB ALA 9 12.189 11.820 -5.677 54 3HB ALA 9 3HB ALA 9 10.912 13.037 -5.749 55 H ALA 10 H ALA 10 14.206 11.937 -5.703 56 HA ALA 10 HA ALA 10 14.869 10.205 -3.701 57 1HB ALA 10 2HB ALA 10 16.695 11.246 -5.871 58 2HB ALA 10 1HB ALA 10 16.969 9.781 -4.925 59 3HB ALA 10 3HB ALA 10 15.577 9.886 -6.005 60 H PHE 11 H PHE 11 16.050 13.461 -4.134 61 HA PHE 11 HA PHE 11 18.287 13.298 -2.392 62 1HB PHE 11 2HB PHE 11 17.417 15.142 -4.128 63 2HB PHE 11 1HB PHE 11 16.822 15.858 -2.639 64 HD1 PHE 11 HD1 PHE 11 18.606 15.771 -0.642 65 HD2 PHE 11 HD2 PHE 11 19.573 15.821 -4.813 66 HE1 PHE 11 HE1 PHE 11 20.839 16.664 -0.122 67 HE2 PHE 11 HE2 PHE 11 21.800 16.712 -4.278 68 HZ PHE 11 HZ PHE 11 22.436 17.135 -1.936 69 H ASN 12 H ASN 12 14.878 14.039 -1.906 70 HA ASN 12 HA ASN 12 15.214 14.782 0.864 71 1HB ASN 12 2HB ASN 12 13.354 15.449 -0.900 72 2HB ASN 12 1HB ASN 12 12.559 14.016 -0.247 73 1HD2 ASN 12 2HD2 ASN 12 11.285 16.508 1.976 74 2HD2 ASN 12 1HD2 ASN 12 11.014 15.764 0.440 75 H SER 13 H SER 13 14.221 11.905 -0.915 76 HA SER 13 HA SER 13 13.406 10.458 1.442 77 1HB SER 13 2HB SER 13 12.943 10.132 -1.239 78 2HB SER 13 1HB SER 13 14.135 8.873 -0.916 79 HG SER 13 HG SER 13 11.930 9.214 0.809 80 H LEU 14 H LEU 14 16.338 10.808 -0.431 81 HA LEU 14 HA LEU 14 17.703 8.569 0.725 82 1HB LEU 14 2HB LEU 14 18.344 9.440 -1.455 83 2HB LEU 14 1HB LEU 14 18.736 10.998 -0.732 84 HG LEU 14 HG LEU 14 20.120 8.991 0.753 85 1HD1 LEU 14 2HD1 LEU 14 19.804 7.478 -1.177 86 2HD1 LEU 14 1HD1 LEU 14 20.635 8.644 -2.214 87 3HD1 LEU 14 3HD1 LEU 14 21.503 7.860 -0.894 88 1HD2 LEU 14 1HD2 LEU 14 21.242 10.973 -1.254 89 2HD2 LEU 14 3HD2 LEU 14 20.991 11.256 0.478 90 3HD2 LEU 14 2HD2 LEU 14 22.179 10.072 -0.066 91 H GLN 15 H GLN 15 17.327 11.946 1.505 92 HA GLN 15 HA GLN 15 19.446 12.487 3.163 93 1HB GLN 15 2HB GLN 15 17.726 14.111 2.574 94 2HB GLN 15 1HB GLN 15 16.555 13.251 3.564 95 1HG GLN 15 2HG GLN 15 18.275 13.631 5.486 96 2HG GLN 15 1HG GLN 15 18.916 14.890 4.427 97 1HE2 GLN 15 2HD2 GLN 15 16.168 16.155 6.713 98 2HE2 GLN 15 1HD2 GLN 15 17.551 15.159 6.999 99 H ALA 16 H ALA 16 16.668 10.473 3.796 100 HA ALA 16 HA ALA 16 17.342 10.131 6.612 101 1HB ALA 16 2HB ALA 16 15.082 9.372 4.841 102 2HB ALA 16 1HB ALA 16 15.384 8.365 6.258 103 3HB ALA 16 3HB ALA 16 15.063 10.089 6.453 104 H SER 17 H SER 17 18.951 9.082 4.145 105 HA SER 17 HA SER 17 19.745 6.606 5.408 106 1HB SER 17 2HB SER 17 17.753 6.330 3.600 107 2HB SER 17 1HB SER 17 19.151 6.234 2.537 108 HG SER 17 HG SER 17 18.211 4.270 3.882 109 H ALA 18 H ALA 18 21.513 8.351 5.498 110 HA ALA 18 HA ALA 18 23.013 8.632 3.000 111 1HB ALA 18 2HB ALA 18 22.564 10.494 4.776 112 2HB ALA 18 1HB ALA 18 23.909 9.737 5.633 113 3HB ALA 18 3HB ALA 18 24.150 10.383 4.008 114 H THR 19 H THR 19 22.780 6.038 4.409 115 HA THR 19 HA THR 19 25.507 5.584 5.387 116 HB THR 19 HB THR 19 24.691 3.377 6.032 117 HG1 THR 19 HG1 THR 19 22.111 4.119 5.174 118 1HG2 THR 19 3HG2 THR 19 23.287 5.848 6.905 119 2HG2 THR 19 2HG2 THR 19 22.585 4.311 7.413 120 3HG2 THR 19 1HG2 THR 19 24.251 4.704 7.843 121 H GLU 20 H GLU 20 24.080 5.687 2.425 122 HA GLU 20 HA GLU 20 25.386 3.323 1.339 123 1HB GLU 20 2HB GLU 20 23.036 4.682 0.740 124 2HB GLU 20 1HB GLU 20 24.124 5.075 -0.588 125 1HG GLU 20 2HG GLU 20 22.771 3.037 -1.011 126 2HG GLU 20 1HG GLU 20 24.506 2.728 -1.031 127 H TYR 21 H TYR 21 26.136 6.529 1.910 128 HA TYR 21 HA TYR 21 27.970 6.717 -0.382 129 1HB TYR 21 2HB TYR 21 26.672 8.683 1.430 130 2HB TYR 21 1HB TYR 21 28.245 9.093 0.760 131 HD1 TYR 21 HD2 TYR 21 28.532 9.331 -1.688 132 HD2 TYR 21 HD1 TYR 21 24.702 8.583 0.058 133 HE1 TYR 21 HE2 TYR 21 27.438 10.004 -3.788 134 HE2 TYR 21 HE1 TYR 21 23.618 9.259 -2.048 135 HH TYR 21 HH TYR 21 24.996 10.985 -4.364 136 H ILE 22 H ILE 22 27.905 6.083 2.988 137 HA ILE 22 HA ILE 22 30.595 6.951 3.527 138 HB ILE 22 HB ILE 22 28.609 5.255 5.044 139 1HG1 ILE 22 2HG1 ILE 22 28.318 7.822 4.778 140 2HG1 ILE 22 1HG1 ILE 22 28.189 7.145 6.409 141 1HG2 ILE 22 3HG2 ILE 22 31.489 5.606 5.537 142 2HG2 ILE 22 2HG2 ILE 22 30.479 5.978 6.934 143 3HG2 ILE 22 1HG2 ILE 22 30.376 4.390 6.170 144 1HD1 ILE 22 2HD1 ILE 22 30.925 7.794 6.033 145 2HD1 ILE 22 1HD1 ILE 22 29.988 9.161 5.429 146 3HD1 ILE 22 3HD1 ILE 22 29.750 8.587 7.078 147 H GLY 23 H GLY 23 29.024 3.926 2.645 148 1HA GLY 23 2HA GLY 23 31.282 2.240 3.049 149 2HA GLY 23 1HA GLY 23 29.874 1.866 2.059 150 H TYR 24 H TYR 24 30.694 4.668 0.760 151 HA TYR 24 HA TYR 24 31.949 3.545 -1.547 152 1HB TYR 24 2HB TYR 24 31.383 6.354 -0.622 153 2HB TYR 24 1HB TYR 24 32.303 6.037 -2.084 154 HD1 TYR 24 HD2 TYR 24 29.654 3.653 -1.294 155 HD2 TYR 24 HD1 TYR 24 30.526 7.349 -3.273 156 HE1 TYR 24 HE2 TYR 24 27.561 3.482 -2.555 157 HE2 TYR 24 HE1 TYR 24 28.423 7.157 -4.525 158 HH TYR 24 HH TYR 24 26.077 4.655 -3.837 159 H ALA 25 H ALA 25 33.071 5.306 1.274 160 HA ALA 25 HA ALA 25 35.740 5.712 0.364 161 1HB ALA 25 3HB ALA 25 34.278 5.954 2.946 162 2HB ALA 25 2HB ALA 25 36.038 5.842 3.008 163 3HB ALA 25 1HB ALA 25 35.267 7.140 2.094 164 H TRP 26 H TRP 26 34.032 3.060 1.792 165 HA TRP 26 HA TRP 26 36.239 1.621 2.843 166 1HB TRP 26 2HB TRP 26 33.393 1.179 2.399 167 2HB TRP 26 1HB TRP 26 34.350 -0.264 2.127 168 HD1 TRP 26 1HD TRP 26 33.248 2.127 4.887 169 HE1 TRP 26 1HE TRP 26 33.862 1.114 7.142 170 HE3 TRP 26 3HE TRP 26 36.068 -1.840 3.319 171 HZ2 TRP 26 2HZ TRP 26 35.334 -1.056 8.163 172 HZ3 TRP 26 3HZ TRP 26 37.056 -3.350 4.994 173 HH2 TRP 26 HH2 TRP 26 36.693 -2.964 7.395 174 H ALA 27 H ALA 27 34.524 1.490 -0.261 175 HA ALA 27 HA ALA 27 36.018 -0.629 -1.385 176 1HB ALA 27 2HB ALA 27 34.058 1.337 -2.282 177 2HB ALA 27 1HB ALA 27 35.261 0.964 -3.519 178 3HB ALA 27 3HB ALA 27 34.301 -0.332 -2.805 179 H MET 28 H MET 28 36.334 2.897 -1.732 180 HA MET 28 HA MET 28 38.571 2.940 -3.386 181 1HB MET 28 2HB MET 28 37.129 4.833 -1.717 182 2HB MET 28 1HB MET 28 38.856 5.133 -1.665 183 1HG MET 28 2HG MET 28 37.504 6.353 -3.471 184 2HG MET 28 1HG MET 28 38.977 5.550 -3.988 185 1HE MET 28 3HE MET 28 36.231 6.634 -5.400 186 2HE MET 28 2HE MET 28 35.292 5.370 -6.189 187 3HE MET 28 1HE MET 28 35.030 5.716 -4.480 188 H VAL 29 H VAL 29 38.340 2.668 0.124 189 HA VAL 29 HA VAL 29 40.993 3.022 0.844 190 HB VAL 29 HB VAL 29 38.784 1.313 1.954 191 1HG1 VAL 29 3HG1 VAL 29 41.636 1.323 2.719 192 2HG1 VAL 29 2HG1 VAL 29 40.472 1.448 4.041 193 3HG1 VAL 29 1HG1 VAL 29 40.406 0.076 2.933 194 1HG2 VAL 29 2HG2 VAL 29 39.125 3.980 2.036 195 2HG2 VAL 29 1HG2 VAL 29 38.326 3.063 3.315 196 3HG2 VAL 29 3HG2 VAL 29 40.023 3.515 3.483 197 H VAL 30 H VAL 30 39.349 0.072 -0.263 198 HA VAL 30 HA VAL 30 41.434 -1.726 0.010 199 HB VAL 30 HB VAL 30 38.940 -2.004 -0.700 200 1HG1 VAL 30 2HG1 VAL 30 39.789 -0.867 -3.008 201 2HG1 VAL 30 1HG1 VAL 30 39.922 -2.581 -3.402 202 3HG1 VAL 30 3HG1 VAL 30 38.376 -1.914 -2.872 203 1HG2 VAL 30 3HG2 VAL 30 41.201 -3.758 -1.634 204 2HG2 VAL 30 2HG2 VAL 30 40.322 -3.850 -0.105 205 3HG2 VAL 30 1HG2 VAL 30 39.506 -4.251 -1.618 206 H VAL 31 H VAL 31 41.019 0.821 -2.294 207 HA VAL 31 HA VAL 31 43.061 -0.195 -4.085 208 HB VAL 31 HB VAL 31 41.359 2.284 -4.064 209 1HG1 VAL 31 1HG1 VAL 31 43.527 2.815 -5.054 210 2HG1 VAL 31 3HG1 VAL 31 43.368 1.441 -6.149 211 3HG1 VAL 31 2HG1 VAL 31 42.250 2.802 -6.273 212 1HG2 VAL 31 2HG2 VAL 31 40.356 0.025 -4.634 213 2HG2 VAL 31 1HG2 VAL 31 40.175 1.282 -5.861 214 3HG2 VAL 31 3HG2 VAL 31 41.398 0.024 -6.059 215 H ILE 32 H ILE 32 42.825 1.837 -1.342 216 HA ILE 32 HA ILE 32 45.248 3.334 -1.897 217 HB ILE 32 HB ILE 32 43.650 3.143 0.653 218 1HG1 ILE 32 2HG1 ILE 32 43.467 5.080 -1.658 219 2HG1 ILE 32 1HG1 ILE 32 42.222 3.959 -1.110 220 1HG2 ILE 32 2HG2 ILE 32 46.135 4.064 0.483 221 2HG2 ILE 32 1HG2 ILE 32 45.295 5.509 -0.080 222 3HG2 ILE 32 3HG2 ILE 32 44.925 4.838 1.509 223 1HD1 ILE 32 2HD1 ILE 32 43.021 5.567 1.113 224 2HD1 ILE 32 1HD1 ILE 32 42.684 6.633 -0.253 225 3HD1 ILE 32 3HD1 ILE 32 41.449 5.507 0.311 226 H VAL 33 H VAL 33 44.253 0.544 -0.008 227 HA VAL 33 HA VAL 33 46.462 0.216 1.635 228 HB VAL 33 HB VAL 33 44.748 -1.877 0.307 229 1HG1 VAL 33 2HG1 VAL 33 47.039 -2.217 1.778 230 2HG1 VAL 33 1HG1 VAL 33 45.758 -2.406 2.974 231 3HG1 VAL 33 3HG1 VAL 33 45.775 -3.422 1.533 232 1HG2 VAL 33 1HG2 VAL 33 44.208 0.082 2.391 233 2HG2 VAL 33 3HG2 VAL 33 43.092 -0.961 1.503 234 3HG2 VAL 33 2HG2 VAL 33 43.927 -1.575 2.932 235 H GLY 34 H GLY 34 46.013 -0.480 -1.765 236 1HA GLY 34 2HA GLY 34 48.310 -2.152 -2.087 237 2HA GLY 34 1HA GLY 34 47.412 -1.351 -3.380 238 H ALA 35 H ALA 35 47.683 1.253 -2.977 239 HA ALA 35 HA ALA 35 50.159 1.980 -3.934 240 1HB ALA 35 2HB ALA 35 47.878 3.327 -3.388 241 2HB ALA 35 1HB ALA 35 48.917 3.934 -2.096 242 3HB ALA 35 3HB ALA 35 49.405 4.119 -3.782 243 H THR 36 H THR 36 49.172 1.355 -0.668 244 HA THR 36 HA THR 36 51.427 2.501 0.659 245 HB THR 36 HB THR 36 49.328 0.484 1.441 246 HG1 THR 36 HG1 THR 36 48.752 2.718 1.206 247 1HG2 THR 36 2HG2 THR 36 51.578 1.591 3.118 248 2HG2 THR 36 1HG2 THR 36 50.131 0.837 3.792 249 3HG2 THR 36 3HG2 THR 36 51.223 -0.103 2.773 250 H ILE 37 H ILE 37 50.618 -0.707 -0.579 251 HA ILE 37 HA ILE 37 52.850 -2.085 0.478 252 HB ILE 37 HB ILE 37 51.231 -2.642 -2.000 253 1HG1 ILE 37 2HG1 ILE 37 50.945 -3.564 0.844 254 2HG1 ILE 37 1HG1 ILE 37 49.823 -2.555 -0.055 255 1HG2 ILE 37 1HG2 ILE 37 53.469 -3.787 -1.860 256 2HG2 ILE 37 3HG2 ILE 37 52.883 -4.584 -0.398 257 3HG2 ILE 37 2HG2 ILE 37 52.074 -4.867 -1.941 258 1HD1 ILE 37 1HD1 ILE 37 49.927 -4.692 -1.699 259 2HD1 ILE 37 3HD1 ILE 37 50.235 -5.488 -0.154 260 3HD1 ILE 37 2HD1 ILE 37 48.761 -4.546 -0.382 261 H GLY 38 H GLY 38 52.379 -0.128 -2.382 262 1HA GLY 38 2HA GLY 38 54.661 -0.850 -3.857 263 2HA GLY 38 1HA GLY 38 53.840 0.710 -3.940 264 H ILE 39 H ILE 39 54.263 2.165 -2.060 265 HA ILE 39 HA ILE 39 56.897 2.951 -1.950 266 HB ILE 39 HB ILE 39 54.741 3.333 0.126 267 1HG1 ILE 39 2HG1 ILE 39 55.377 5.570 -1.636 268 2HG1 ILE 39 1HG1 ILE 39 54.784 4.169 -2.515 269 1HG2 ILE 39 3HG2 ILE 39 57.499 4.261 -0.055 270 2HG2 ILE 39 2HG2 ILE 39 56.328 5.563 0.158 271 3HG2 ILE 39 1HG2 ILE 39 56.395 4.238 1.322 272 1HD1 ILE 39 1HD1 ILE 39 53.118 4.378 -0.276 273 2HD1 ILE 39 3HD1 ILE 39 53.326 6.030 -0.858 274 3HD1 ILE 39 2HD1 ILE 39 52.711 4.782 -1.945 275 H LYS 40 H LYS 40 55.167 0.826 0.316 276 HA LYS 40 HA LYS 40 57.153 0.514 2.233 277 1HB LYS 40 2HB LYS 40 54.656 -0.400 1.955 278 2HB LYS 40 1HB LYS 40 55.533 -1.839 1.467 279 1HG LYS 40 2HG LYS 40 55.550 -2.266 3.677 280 2HG LYS 40 1HG LYS 40 56.909 -1.146 3.703 281 1HD LYS 40 2HD LYS 40 54.010 -0.360 4.092 282 2HD LYS 40 1HD LYS 40 55.121 -0.664 5.420 283 1HE LYS 40 2HE LYS 40 56.376 1.293 4.950 284 2HE LYS 40 1HE LYS 40 55.706 1.442 3.319 285 1HZ LYS 40 3HZ LYS 40 53.532 1.527 4.952 286 2HZ LYS 40 2HZ LYS 40 54.700 2.425 5.798 287 3HZ LYS 40 1HZ LYS 40 54.282 2.853 4.207 288 H LEU 41 H LEU 41 56.476 -1.494 -0.622 289 HA LEU 41 HA LEU 41 58.609 -3.282 -0.348 290 1HB LEU 41 2HB LEU 41 56.971 -2.329 -2.666 291 2HB LEU 41 1HB LEU 41 58.331 -3.408 -2.939 292 HG LEU 41 HG LEU 41 56.059 -3.961 -1.025 293 1HD1 LEU 41 1HD1 LEU 41 56.495 -4.897 -3.858 294 2HD1 LEU 41 3HD1 LEU 41 55.343 -5.635 -2.744 295 3HD1 LEU 41 2HD1 LEU 41 55.143 -3.951 -3.232 296 1HD2 LEU 41 1HD2 LEU 41 58.590 -5.148 -1.205 297 2HD2 LEU 41 3HD2 LEU 41 57.181 -5.767 -0.342 298 3HD2 LEU 41 2HD2 LEU 41 57.493 -6.273 -2.003 299 H PHE 42 H PHE 42 58.499 -0.027 -1.569 300 HA PHE 42 HA PHE 42 60.936 -0.040 -3.023 301 1HB PHE 42 2HB PHE 42 58.985 1.680 -3.001 302 2HB PHE 42 1HB PHE 42 59.858 2.396 -1.653 303 HD1 PHE 42 HD1 PHE 42 62.512 2.609 -2.161 304 HD2 PHE 42 HD2 PHE 42 59.390 2.563 -5.075 305 HE1 PHE 42 HE1 PHE 42 63.980 3.785 -3.754 306 HE2 PHE 42 HE2 PHE 42 60.860 3.738 -6.668 307 HZ PHE 42 HZ PHE 42 63.155 4.348 -6.006 308 H LYS 43 H LYS 43 60.129 0.848 0.314 309 HA LYS 43 HA LYS 43 62.640 1.811 1.086 310 1HB LYS 43 2HB LYS 43 60.422 0.515 2.646 311 2HB LYS 43 1HB LYS 43 61.858 1.181 3.416 312 1HG LYS 43 2HG LYS 43 60.388 2.908 1.468 313 2HG LYS 43 1HG LYS 43 59.641 2.639 3.031 314 1HD LYS 43 2HD LYS 43 61.103 3.966 4.119 315 2HD LYS 43 1HD LYS 43 62.486 3.381 3.202 316 1HE LYS 43 2HE LYS 43 61.566 5.876 2.971 317 2HE LYS 43 1HE LYS 43 62.304 5.022 1.621 318 1HZ LYS 43 3HZ LYS 43 59.415 4.752 2.049 319 2HZ LYS 43 2HZ LYS 43 60.003 6.201 1.383 320 3HZ LYS 43 1HZ LYS 43 60.299 4.722 0.603 321 H LYS 44 H LYS 44 61.672 -1.396 0.371 322 HA LYS 44 HA LYS 44 63.765 -2.588 2.007 323 1HB LYS 44 2HB LYS 44 61.253 -3.432 0.932 324 2HB LYS 44 1HB LYS 44 62.491 -4.452 0.238 325 1HG LYS 44 2HG LYS 44 62.863 -5.571 2.178 326 2HG LYS 44 1HG LYS 44 62.666 -4.124 3.176 327 1HD LYS 44 2HD LYS 44 60.324 -4.277 3.164 328 2HD LYS 44 1HD LYS 44 60.308 -5.385 1.796 329 1HE LYS 44 2HE LYS 44 60.076 -6.094 4.470 330 2HE LYS 44 1HE LYS 44 60.520 -7.209 3.180 331 1HZ LYS 44 2HZ LYS 44 62.545 -5.589 4.607 332 2HZ LYS 44 1HZ LYS 44 62.013 -7.086 5.210 333 3HZ LYS 44 3HZ LYS 44 62.769 -7.004 3.695 334 H PHE 45 H PHE 45 62.802 -2.847 -1.448 335 HA PHE 45 HA PHE 45 65.495 -3.655 -2.154 336 1HB PHE 45 2HB PHE 45 62.878 -3.467 -3.550 337 2HB PHE 45 1HB PHE 45 64.324 -3.296 -4.519 338 HD1 PHE 45 HD2 PHE 45 66.174 -5.098 -4.253 339 HD2 PHE 45 HD1 PHE 45 62.090 -5.676 -3.051 340 HE1 PHE 45 HE2 PHE 45 66.481 -7.536 -4.315 341 HE2 PHE 45 HE1 PHE 45 62.425 -8.105 -3.123 342 HZ PHE 45 HZ PHE 45 64.613 -9.038 -3.754 343 H THR 46 H THR 46 63.401 -0.851 -2.666 344 HA THR 46 HA THR 46 63.840 1.202 -3.632 345 HB THR 46 HB THR 46 64.643 1.607 -1.436 346 HG1 THR 46 HG1 THR 46 65.665 3.330 -2.066 347 1HG2 THR 46 1HG2 THR 46 67.177 0.211 -2.304 348 2HG2 THR 46 3HG2 THR 46 66.993 1.098 -0.789 349 3HG2 THR 46 2HG2 THR 46 66.020 -0.344 -1.091 350 H SER 47 H SER 47 64.803 -1.061 -5.201 351 HA SER 47 HA SER 47 65.983 -1.415 -7.131 352 1HB SER 47 2HB SER 47 65.243 0.909 -7.635 353 2HB SER 47 1HB SER 47 66.729 1.503 -6.903 354 HG SER 47 HG SER 47 66.331 0.557 -9.391 355 H LYS 48 H LYS 48 67.219 -2.351 -4.988 356 HA LYS 48 HA LYS 48 69.657 -1.464 -4.140 357 1HB LYS 48 2HB LYS 48 68.499 -4.172 -4.596 358 2HB LYS 48 1HB LYS 48 70.221 -4.063 -4.250 359 1HG LYS 48 2HG LYS 48 68.243 -2.637 -2.492 360 2HG LYS 48 1HG LYS 48 68.519 -4.364 -2.292 361 1HD LYS 48 2HD LYS 48 70.512 -4.046 -1.307 362 2HD LYS 48 1HD LYS 48 71.009 -2.853 -2.502 363 1HE LYS 48 2HE LYS 48 69.105 -2.263 -0.230 364 2HE LYS 48 1HE LYS 48 70.841 -1.983 -0.149 365 1HZ LYS 48 1HZ LYS 48 70.601 -0.539 -2.119 366 2HZ LYS 48 3HZ LYS 48 68.918 -0.723 -2.022 367 3HZ LYS 48 2HZ LYS 48 69.763 0.034 -0.758 368 H ALA 49 H ALA 49 69.177 -3.637 -6.927 369 HA ALA 49 HA ALA 49 70.461 -4.050 -8.777 370 1HB ALA 49 1HB ALA 49 69.957 -1.454 -8.848 371 2HB ALA 49 3HB ALA 49 71.698 -1.342 -8.581 372 3HB ALA 49 2HB ALA 49 71.075 -2.195 -9.996 373 H SER 50 H SER 50 71.656 -5.495 -7.255 374 HA SER 50 HA SER 50 74.098 -4.752 -6.061 375 1HB SER 50 2HB SER 50 72.541 -6.980 -6.029 376 2HB SER 50 1HB SER 50 73.880 -7.520 -7.036 377 HG SER 50 HG SER 50 74.360 -6.151 -4.608 No H/Q in entry = 377 Start of MODEL 15 1 1H ALA 1 3H ALA 1 34.916 -28.967 -13.645 2 2H ALA 1 2H ALA 1 35.923 -29.417 -12.354 3 3H ALA 1 1H ALA 1 36.482 -28.326 -13.530 4 HA ALA 1 HA ALA 1 36.405 -30.026 -15.216 5 1HB ALA 1 3HB ALA 1 37.877 -30.895 -12.708 6 2HB ALA 1 2HB ALA 1 38.211 -31.489 -14.335 7 3HB ALA 1 1HB ALA 1 38.497 -29.791 -13.937 8 H GLU 2 H GLU 2 34.707 -31.250 -15.775 9 HA GLU 2 HA GLU 2 33.337 -33.089 -15.885 10 1HB GLU 2 2HB GLU 2 35.606 -34.134 -15.020 11 2HB GLU 2 1HB GLU 2 34.673 -34.359 -13.542 12 1HG GLU 2 2HG GLU 2 33.729 -36.178 -14.434 13 2HG GLU 2 1HG GLU 2 33.033 -35.178 -15.709 14 H GLY 3 H GLY 3 32.405 -30.906 -14.519 15 1HA GLY 3 2HA GLY 3 30.251 -31.898 -13.061 16 2HA GLY 3 1HA GLY 3 31.482 -31.417 -11.895 17 H ASP 4 H ASP 4 29.332 -30.037 -11.558 18 HA ASP 4 HA ASP 4 29.969 -27.371 -12.571 19 1HB ASP 4 2HB ASP 4 28.136 -28.647 -13.982 20 2HB ASP 4 1HB ASP 4 27.095 -28.172 -12.639 21 H ASP 5 H ASP 5 30.589 -27.984 -10.112 22 HA ASP 5 HA ASP 5 29.112 -26.256 -8.483 23 1HB ASP 5 2HB ASP 5 27.547 -28.318 -8.725 24 2HB ASP 5 1HB ASP 5 28.670 -29.087 -7.604 25 HA PRO 6 HA PRO 6 33.210 -27.237 -6.793 26 1HB PRO 6 2HB PRO 6 33.820 -24.711 -6.048 27 2HB PRO 6 1HB PRO 6 34.044 -25.320 -7.695 28 1HG PRO 6 2HG PRO 6 31.996 -23.485 -6.629 29 2HG PRO 6 1HG PRO 6 32.641 -23.628 -8.271 30 1HD PRO 6 2HD PRO 6 30.176 -24.625 -7.339 31 2HD PRO 6 1HD PRO 6 30.942 -24.979 -8.897 32 H ALA 7 H ALA 7 30.464 -25.653 -5.387 33 HA ALA 7 HA ALA 7 29.588 -25.739 -3.265 34 1HB ALA 7 2HB ALA 7 31.254 -27.979 -3.355 35 2HB ALA 7 1HB ALA 7 31.707 -27.133 -1.874 36 3HB ALA 7 3HB ALA 7 30.030 -27.617 -2.137 37 H LYS 8 H LYS 8 32.260 -24.158 -4.212 38 HA LYS 8 HA LYS 8 32.605 -22.841 -1.601 39 1HB LYS 8 2HB LYS 8 34.720 -23.657 -1.829 40 2HB LYS 8 1HB LYS 8 34.572 -23.855 -3.566 41 1HG LYS 8 2HG LYS 8 35.212 -21.644 -4.009 42 2HG LYS 8 1HG LYS 8 34.832 -21.107 -2.378 43 1HD LYS 8 2HD LYS 8 37.340 -21.436 -3.103 44 2HD LYS 8 1HD LYS 8 36.811 -21.867 -1.484 45 1HE LYS 8 2HE LYS 8 38.314 -23.544 -2.711 46 2HE LYS 8 1HE LYS 8 36.852 -24.185 -1.964 47 1HZ LYS 8 2HZ LYS 8 36.298 -23.348 -4.607 48 2HZ LYS 8 1HZ LYS 8 37.638 -24.390 -4.614 49 3HZ LYS 8 3HZ LYS 8 36.174 -24.902 -3.930 50 H ALA 9 H ALA 9 32.989 -22.357 -5.119 51 HA ALA 9 HA ALA 9 32.993 -19.583 -5.182 52 1HB ALA 9 3HB ALA 9 33.445 -21.055 -7.126 53 2HB ALA 9 2HB ALA 9 31.722 -21.426 -7.214 54 3HB ALA 9 1HB ALA 9 32.286 -19.777 -7.498 55 H ALA 10 H ALA 10 30.154 -21.639 -5.860 56 HA ALA 10 HA ALA 10 28.235 -19.617 -5.818 57 1HB ALA 10 3HB ALA 10 28.233 -22.560 -5.556 58 2HB ALA 10 2HB ALA 10 26.816 -21.733 -4.902 59 3HB ALA 10 1HB ALA 10 27.263 -21.514 -6.596 60 H PHE 11 H PHE 11 29.157 -21.829 -3.180 61 HA PHE 11 HA PHE 11 27.541 -20.816 -1.168 62 1HB PHE 11 2HB PHE 11 29.276 -22.803 -1.242 63 2HB PHE 11 1HB PHE 11 30.343 -21.608 -0.526 64 HD1 PHE 11 HD1 PHE 11 27.013 -23.233 -0.102 65 HD2 PHE 11 HD2 PHE 11 30.238 -21.154 1.807 66 HE1 PHE 11 HE1 PHE 11 26.008 -23.672 2.099 67 HE2 PHE 11 HE2 PHE 11 29.219 -21.602 3.996 68 HZ PHE 11 HZ PHE 11 27.108 -22.859 4.147 69 H ASN 12 H ASN 12 30.570 -19.601 -2.444 70 HA ASN 12 HA ASN 12 30.971 -17.619 -0.405 71 1HB ASN 12 2HB ASN 12 32.846 -18.508 -1.709 72 2HB ASN 12 1HB ASN 12 32.142 -17.848 -3.185 73 1HD2 ASN 12 2HD2 ASN 12 34.554 -15.578 -1.033 74 2HD2 ASN 12 1HD2 ASN 12 34.450 -17.302 -0.971 75 H SER 13 H SER 13 29.512 -17.713 -3.605 76 HA SER 13 HA SER 13 29.098 -14.928 -3.919 77 1HB SER 13 2HB SER 13 27.082 -16.644 -5.150 78 2HB SER 13 1HB SER 13 28.227 -15.532 -5.899 79 HG SER 13 HG SER 13 29.642 -17.119 -6.142 80 H LEU 14 H LEU 14 27.389 -17.422 -2.201 81 HA LEU 14 HA LEU 14 24.914 -16.024 -1.926 82 1HB LEU 14 2HB LEU 14 24.948 -18.421 -1.703 83 2HB LEU 14 1HB LEU 14 26.132 -18.327 -0.404 84 HG LEU 14 HG LEU 14 24.498 -17.155 1.016 85 1HD1 LEU 14 2HD1 LEU 14 22.743 -17.396 -1.414 86 2HD1 LEU 14 1HD1 LEU 14 22.041 -17.301 0.199 87 3HD1 LEU 14 3HD1 LEU 14 23.053 -15.985 -0.398 88 1HD2 LEU 14 2HD2 LEU 14 23.653 -19.830 -0.105 89 2HD2 LEU 14 1HD2 LEU 14 24.522 -19.493 1.396 90 3HD2 LEU 14 3HD2 LEU 14 22.816 -19.067 1.246 91 H GLN 15 H GLN 15 27.920 -16.093 -0.156 92 HA GLN 15 HA GLN 15 26.793 -14.614 2.088 93 1HB GLN 15 2HB GLN 15 28.405 -16.260 2.716 94 2HB GLN 15 1HB GLN 15 29.552 -15.701 1.504 95 1HG GLN 15 2HG GLN 15 30.106 -13.764 2.740 96 2HG GLN 15 1HG GLN 15 28.675 -13.892 3.756 97 1HE2 GLN 15 2HD2 GLN 15 31.892 -16.334 4.565 98 2HE2 GLN 15 1HD2 GLN 15 31.651 -15.729 2.961 99 H ALA 16 H ALA 16 29.202 -14.114 -0.476 100 HA ALA 16 HA ALA 16 29.956 -11.509 0.143 101 1HB ALA 16 1HB ALA 16 30.718 -13.218 -1.752 102 2HB ALA 16 3HB ALA 16 29.642 -12.213 -2.724 103 3HB ALA 16 2HB ALA 16 31.010 -11.482 -1.886 104 H SER 17 H SER 17 27.003 -12.696 -1.122 105 HA SER 17 HA SER 17 26.027 -10.417 -2.456 106 1HB SER 17 2HB SER 17 24.638 -12.675 -1.022 107 2HB SER 17 1HB SER 17 23.764 -11.410 -1.880 108 HG SER 17 HG SER 17 25.297 -13.516 -2.862 109 H ALA 18 H ALA 18 25.565 -11.514 0.902 110 HA ALA 18 HA ALA 18 24.049 -9.312 1.781 111 1HB ALA 18 1HB ALA 18 24.256 -11.428 3.039 112 2HB ALA 18 3HB ALA 18 25.944 -11.042 3.384 113 3HB ALA 18 2HB ALA 18 24.656 -10.027 4.037 114 H THR 19 H THR 19 27.519 -9.887 1.639 115 HA THR 19 HA THR 19 28.050 -7.200 2.695 116 HB THR 19 HB THR 19 29.271 -9.263 3.536 117 HG1 THR 19 HG1 THR 19 30.803 -7.917 4.080 118 1HG2 THR 19 1HG2 THR 19 29.925 -9.512 0.752 119 2HG2 THR 19 3HG2 THR 19 31.407 -9.218 1.661 120 3HG2 THR 19 2HG2 THR 19 30.369 -10.579 2.086 121 H GLU 20 H GLU 20 26.895 -7.716 0.029 122 HA GLU 20 HA GLU 20 28.997 -7.086 -1.854 123 1HB GLU 20 2HB GLU 20 26.817 -8.505 -2.205 124 2HB GLU 20 1HB GLU 20 26.093 -6.934 -2.522 125 1HG GLU 20 2HG GLU 20 28.032 -6.579 -4.183 126 2HG GLU 20 1HG GLU 20 28.287 -8.322 -4.051 127 H TYR 21 H TYR 21 26.724 -5.412 0.050 128 HA TYR 21 HA TYR 21 26.879 -2.956 -1.516 129 1HB TYR 21 2HB TYR 21 25.288 -3.883 0.829 130 2HB TYR 21 1HB TYR 21 25.533 -2.156 0.618 131 HD1 TYR 21 HD2 TYR 21 24.810 -1.078 -1.544 132 HD2 TYR 21 HD1 TYR 21 23.728 -5.079 -0.497 133 HE1 TYR 21 HE2 TYR 21 22.994 -1.028 -3.206 134 HE2 TYR 21 HE1 TYR 21 21.916 -5.018 -2.161 135 HH TYR 21 HH TYR 21 20.927 -2.121 -3.711 136 H ILE 22 H ILE 22 28.333 -4.434 1.245 137 HA ILE 22 HA ILE 22 29.482 -1.962 2.268 138 HB ILE 22 HB ILE 22 29.604 -4.872 3.069 139 1HG1 ILE 22 2HG1 ILE 22 28.379 -4.219 5.041 140 2HG1 ILE 22 1HG1 ILE 22 28.626 -2.497 4.711 141 1HG2 ILE 22 2HG2 ILE 22 31.341 -2.614 4.057 142 2HG2 ILE 22 1HG2 ILE 22 30.919 -3.950 5.139 143 3HG2 ILE 22 3HG2 ILE 22 31.783 -4.266 3.634 144 1HD1 ILE 22 1HD1 ILE 22 27.112 -4.179 2.737 145 2HD1 ILE 22 3HD1 ILE 22 26.325 -3.585 4.195 146 3HD1 ILE 22 2HD1 ILE 22 27.015 -2.446 3.042 147 H GLY 23 H GLY 23 30.579 -4.912 0.655 148 1HA GLY 23 2HA GLY 23 33.263 -4.774 0.626 149 2HA GLY 23 1HA GLY 23 32.347 -5.227 -0.807 150 H TYR 24 H TYR 24 31.138 -2.588 -1.144 151 HA TYR 24 HA TYR 24 32.983 -1.415 -2.879 152 1HB TYR 24 2HB TYR 24 30.475 -0.443 -1.575 153 2HB TYR 24 1HB TYR 24 31.456 0.664 -2.520 154 HD1 TYR 24 HD1 TYR 24 32.090 -0.086 -4.917 155 HD2 TYR 24 HD2 TYR 24 28.893 -1.826 -2.667 156 HE1 TYR 24 HE1 TYR 24 31.069 -0.925 -6.994 157 HE2 TYR 24 HE2 TYR 24 27.888 -2.655 -4.748 158 HH TYR 24 HH TYR 24 29.386 -3.021 -7.508 159 H ALA 25 H ALA 25 32.537 -0.995 0.548 160 HA ALA 25 HA ALA 25 33.973 1.468 0.771 161 1HB ALA 25 2HB ALA 25 32.326 0.082 2.423 162 2HB ALA 25 1HB ALA 25 33.901 -0.301 3.122 163 3HB ALA 25 3HB ALA 25 33.398 1.381 2.951 164 H TRP 26 H TRP 26 35.052 -1.612 0.017 165 HA TRP 26 HA TRP 26 37.569 -1.407 1.465 166 1HB TRP 26 2HB TRP 26 36.076 -3.496 0.079 167 2HB TRP 26 1HB TRP 26 37.799 -3.529 -0.251 168 HD1 TRP 26 1HD TRP 26 35.288 -3.938 2.618 169 HE1 TRP 26 1HE TRP 26 36.479 -5.034 4.583 170 HE3 TRP 26 3HE TRP 26 40.085 -3.855 0.864 171 HZ2 TRP 26 2HZ TRP 26 39.089 -5.777 5.332 172 HZ3 TRP 26 3HZ TRP 26 41.894 -4.776 2.262 173 HH2 TRP 26 HH2 TRP 26 41.403 -5.729 4.477 174 H ALA 27 H ALA 27 36.499 -1.625 -1.928 175 HA ALA 27 HA ALA 27 38.914 -1.373 -3.216 176 1HB ALA 27 2HB ALA 27 36.116 -0.730 -3.870 177 2HB ALA 27 1HB ALA 27 37.321 0.137 -4.824 178 3HB ALA 27 3HB ALA 27 37.320 -1.628 -4.799 179 H MET 28 H MET 28 37.168 1.041 -1.439 180 HA MET 28 HA MET 28 38.621 3.297 -2.489 181 1HB MET 28 2HB MET 28 36.488 2.835 -0.516 182 2HB MET 28 1HB MET 28 37.591 4.124 -0.085 183 1HG MET 28 2HG MET 28 35.933 3.907 -2.604 184 2HG MET 28 1HG MET 28 35.739 5.066 -1.299 185 1HE MET 28 1HE MET 28 36.205 4.784 -4.465 186 2HE MET 28 3HE MET 28 36.357 6.546 -4.550 187 3HE MET 28 2HE MET 28 37.685 5.517 -5.084 188 H VAL 29 H VAL 29 38.714 1.352 0.473 189 HA VAL 29 HA VAL 29 40.827 2.768 1.715 190 HB VAL 29 HB VAL 29 39.900 -0.082 2.057 191 1HG1 VAL 29 2HG1 VAL 29 41.654 1.658 3.786 192 2HG1 VAL 29 1HG1 VAL 29 40.949 0.123 4.302 193 3HG1 VAL 29 3HG1 VAL 29 42.107 0.159 2.972 194 1HG2 VAL 29 3HG2 VAL 29 38.710 2.429 2.755 195 2HG2 VAL 29 2HG2 VAL 29 38.097 0.796 3.022 196 3HG2 VAL 29 1HG2 VAL 29 39.143 1.554 4.225 197 H VAL 30 H VAL 30 40.705 0.305 -0.731 198 HA VAL 30 HA VAL 30 43.402 -0.592 -0.486 199 HB VAL 30 HB VAL 30 41.383 -0.765 -2.719 200 1HG1 VAL 30 1HG1 VAL 30 44.153 -1.831 -2.448 201 2HG1 VAL 30 3HG1 VAL 30 42.941 -2.768 -3.322 202 3HG1 VAL 30 2HG1 VAL 30 43.346 -1.135 -3.853 203 1HG2 VAL 30 1HG2 VAL 30 40.911 -1.887 -0.480 204 2HG2 VAL 30 3HG2 VAL 30 40.855 -2.915 -1.912 205 3HG2 VAL 30 2HG2 VAL 30 42.267 -2.955 -0.853 206 H VAL 31 H VAL 31 41.743 1.937 -2.264 207 HA VAL 31 HA VAL 31 43.974 2.584 -3.942 208 HB VAL 31 HB VAL 31 41.370 3.965 -3.337 209 1HG1 VAL 31 2HG1 VAL 31 43.721 4.912 -4.781 210 2HG1 VAL 31 1HG1 VAL 31 42.234 4.973 -5.731 211 3HG1 VAL 31 3HG1 VAL 31 42.321 5.800 -4.177 212 1HG2 VAL 31 1HG2 VAL 31 41.336 1.767 -4.560 213 2HG2 VAL 31 3HG2 VAL 31 40.638 3.122 -5.452 214 3HG2 VAL 31 2HG2 VAL 31 42.259 2.544 -5.848 215 H ILE 32 H ILE 32 42.939 3.411 -0.782 216 HA ILE 32 HA ILE 32 44.596 5.818 -0.657 217 HB ILE 32 HB ILE 32 42.871 4.495 1.432 218 1HG1 ILE 32 2HG1 ILE 32 42.347 6.950 -0.250 219 2HG1 ILE 32 1HG1 ILE 32 41.630 5.367 -0.527 220 1HG2 ILE 32 2HG2 ILE 32 44.757 5.897 2.302 221 2HG2 ILE 32 1HG2 ILE 32 44.049 7.273 1.452 222 3HG2 ILE 32 3HG2 ILE 32 43.149 6.477 2.745 223 1HD1 ILE 32 2HD1 ILE 32 40.861 5.585 1.969 224 2HD1 ILE 32 1HD1 ILE 32 41.131 7.308 1.702 225 3HD1 ILE 32 3HD1 ILE 32 39.970 6.432 0.702 226 H VAL 33 H VAL 33 44.448 2.545 0.669 227 HA VAL 33 HA VAL 33 46.825 2.884 2.260 228 HB VAL 33 HB VAL 33 45.005 0.573 1.624 229 1HG1 VAL 33 1HG1 VAL 33 47.680 0.548 2.738 230 2HG1 VAL 33 3HG1 VAL 33 46.487 -0.166 3.824 231 3HG1 VAL 33 2HG1 VAL 33 46.670 -0.785 2.181 232 1HG2 VAL 33 3HG2 VAL 33 44.491 2.614 3.240 233 2HG2 VAL 33 2HG2 VAL 33 43.988 0.967 3.629 234 3HG2 VAL 33 1HG2 VAL 33 45.446 1.641 4.361 235 H GLY 34 H GLY 34 45.958 1.739 -0.906 236 1HA GLY 34 2HA GLY 34 48.173 0.084 -1.448 237 2HA GLY 34 1HA GLY 34 47.187 0.903 -2.659 238 H ALA 35 H ALA 35 47.648 3.549 -2.120 239 HA ALA 35 HA ALA 35 49.982 4.164 -3.457 240 1HB ALA 35 1HB ALA 35 48.275 5.704 -1.532 241 2HB ALA 35 3HB ALA 35 49.772 6.413 -2.143 242 3HB ALA 35 2HB ALA 35 48.495 5.941 -3.268 243 H THR 36 H THR 36 49.535 3.343 -0.118 244 HA THR 36 HA THR 36 52.165 4.234 0.723 245 HB THR 36 HB THR 36 49.874 2.799 2.045 246 HG1 THR 36 HG1 THR 36 49.609 4.696 3.035 247 1HG2 THR 36 1HG2 THR 36 52.692 2.902 2.900 248 2HG2 THR 36 3HG2 THR 36 51.507 3.362 4.127 249 3HG2 THR 36 2HG2 THR 36 51.407 1.778 3.351 250 H ILE 37 H ILE 37 50.517 1.071 0.389 251 HA ILE 37 HA ILE 37 52.691 -0.562 0.983 252 HB ILE 37 HB ILE 37 50.476 -1.047 -0.998 253 1HG1 ILE 37 2HG1 ILE 37 50.719 -1.780 1.907 254 2HG1 ILE 37 1HG1 ILE 37 49.684 -0.516 1.256 255 1HG2 ILE 37 2HG2 ILE 37 52.475 -2.901 0.270 256 2HG2 ILE 37 1HG2 ILE 37 50.957 -3.469 -0.430 257 3HG2 ILE 37 3HG2 ILE 37 52.149 -2.657 -1.448 258 1HD1 ILE 37 2HD1 ILE 37 49.457 -3.349 0.276 259 2HD1 ILE 37 1HD1 ILE 37 48.639 -2.835 1.754 260 3HD1 ILE 37 3HD1 ILE 37 48.256 -2.057 0.217 261 H GLY 38 H GLY 38 51.965 1.274 -1.874 262 1HA GLY 38 2HA GLY 38 53.569 0.038 -3.795 263 2HA GLY 38 1HA GLY 38 53.207 1.766 -3.739 264 H ILE 39 H ILE 39 54.351 2.642 -1.550 265 HA ILE 39 HA ILE 39 57.107 2.772 -2.233 266 HB ILE 39 HB ILE 39 55.571 3.753 0.173 267 1HG1 ILE 39 2HG1 ILE 39 56.610 5.647 -1.818 268 2HG1 ILE 39 1HG1 ILE 39 55.363 4.565 -2.426 269 1HG2 ILE 39 3HG2 ILE 39 58.092 3.460 0.441 270 2HG2 ILE 39 2HG2 ILE 39 58.244 4.739 -0.765 271 3HG2 ILE 39 1HG2 ILE 39 57.428 5.061 0.766 272 1HD1 ILE 39 2HD1 ILE 39 54.760 5.702 0.208 273 2HD1 ILE 39 1HD1 ILE 39 54.888 6.899 -1.081 274 3HD1 ILE 39 3HD1 ILE 39 53.742 5.566 -1.230 275 H LYS 40 H LYS 40 55.457 1.495 0.682 276 HA LYS 40 HA LYS 40 57.629 0.463 2.021 277 1HB LYS 40 2HB LYS 40 54.821 0.167 2.173 278 2HB LYS 40 1HB LYS 40 55.511 -1.443 2.142 279 1HG LYS 40 2HG LYS 40 55.622 -1.108 4.376 280 2HG LYS 40 1HG LYS 40 57.180 -0.424 3.933 281 1HD LYS 40 2HD LYS 40 54.601 1.095 4.420 282 2HD LYS 40 1HD LYS 40 55.992 1.046 5.490 283 1HE LYS 40 2HE LYS 40 57.276 2.421 4.097 284 2HE LYS 40 1HE LYS 40 56.284 2.077 2.670 285 1HZ LYS 40 2HZ LYS 40 54.443 3.232 3.967 286 2HZ LYS 40 1HZ LYS 40 55.687 3.844 4.949 287 3HZ LYS 40 3HZ LYS 40 55.669 4.196 3.290 288 H LEU 41 H LEU 41 55.969 -0.869 -0.763 289 HA LEU 41 HA LEU 41 57.134 -3.428 -0.782 290 1HB LEU 41 2HB LEU 41 55.852 -1.659 -2.804 291 2HB LEU 41 1HB LEU 41 56.760 -3.049 -3.387 292 HG LEU 41 HG LEU 41 54.469 -3.093 -1.415 293 1HD1 LEU 41 3HD1 LEU 41 54.342 -2.884 -4.139 294 2HD1 LEU 41 2HD1 LEU 41 54.241 -4.629 -3.893 295 3HD1 LEU 41 1HD1 LEU 41 53.078 -3.559 -3.109 296 1HD2 LEU 41 1HD2 LEU 41 56.491 -5.119 -2.113 297 2HD2 LEU 41 3HD2 LEU 41 55.458 -4.985 -0.688 298 3HD2 LEU 41 2HD2 LEU 41 54.820 -5.681 -2.179 299 H PHE 42 H PHE 42 58.242 -0.323 -2.024 300 HA PHE 42 HA PHE 42 60.477 -1.268 -3.476 301 1HB PHE 42 2HB PHE 42 59.484 0.974 -3.756 302 2HB PHE 42 1HB PHE 42 60.073 1.417 -2.160 303 HD1 PHE 42 HD2 PHE 42 61.196 0.265 -5.513 304 HD2 PHE 42 HD1 PHE 42 62.230 2.269 -1.888 305 HE1 PHE 42 HE2 PHE 42 63.346 0.946 -6.504 306 HE2 PHE 42 HE1 PHE 42 64.381 2.951 -2.879 307 HZ PHE 42 HZ PHE 42 64.939 2.289 -5.187 308 H LYS 43 H LYS 43 60.257 0.196 -0.237 309 HA LYS 43 HA LYS 43 62.898 0.057 0.533 310 1HB LYS 43 2HB LYS 43 60.365 -0.245 2.114 311 2HB LYS 43 1HB LYS 43 61.957 -0.110 2.862 312 1HG LYS 43 2HG LYS 43 61.555 1.893 0.791 313 2HG LYS 43 1HG LYS 43 60.312 1.981 2.024 314 1HD LYS 43 2HD LYS 43 61.950 2.253 3.783 315 2HD LYS 43 1HD LYS 43 63.270 1.936 2.663 316 1HE LYS 43 2HE LYS 43 61.832 4.428 3.220 317 2HE LYS 43 1HE LYS 43 63.437 4.176 2.539 318 1HZ LYS 43 2HZ LYS 43 62.407 3.703 0.397 319 2HZ LYS 43 1HZ LYS 43 60.866 3.974 1.059 320 3HZ LYS 43 3HZ LYS 43 61.980 5.249 0.955 321 H LYS 44 H LYS 44 60.625 -2.527 0.157 322 HA LYS 44 HA LYS 44 62.215 -4.428 1.688 323 1HB LYS 44 2HB LYS 44 60.021 -4.925 2.043 324 2HB LYS 44 1HB LYS 44 59.511 -4.318 0.487 325 1HG LYS 44 2HG LYS 44 59.158 -6.752 0.749 326 2HG LYS 44 1HG LYS 44 60.206 -6.339 -0.616 327 1HD LYS 44 2HD LYS 44 60.967 -8.344 0.918 328 2HD LYS 44 1HD LYS 44 62.163 -7.111 0.514 329 1HE LYS 44 2HE LYS 44 62.374 -7.548 2.848 330 2HE LYS 44 1HE LYS 44 61.596 -5.976 2.700 331 1HZ LYS 44 3HZ LYS 44 59.479 -7.586 2.761 332 2HZ LYS 44 2HZ LYS 44 60.555 -8.476 3.729 333 3HZ LYS 44 1HZ LYS 44 60.159 -6.876 4.143 334 H PHE 45 H PHE 45 60.791 -4.579 -1.561 335 HA PHE 45 HA PHE 45 62.311 -6.553 -2.686 336 1HB PHE 45 2HB PHE 45 60.929 -4.144 -3.731 337 2HB PHE 45 1HB PHE 45 61.993 -5.012 -4.811 338 HD1 PHE 45 HD1 PHE 45 61.484 -7.343 -5.497 339 HD2 PHE 45 HD2 PHE 45 58.857 -5.137 -2.928 340 HE1 PHE 45 HE1 PHE 45 59.699 -8.985 -5.894 341 HE2 PHE 45 HE2 PHE 45 57.083 -6.789 -3.338 342 HZ PHE 45 HZ PHE 45 57.501 -8.712 -4.818 343 H THR 46 H THR 46 63.281 -3.277 -2.010 344 HA THR 46 HA THR 46 65.662 -3.474 -3.653 345 HB THR 46 HB THR 46 66.046 -1.198 -2.954 346 HG1 THR 46 HG1 THR 46 64.694 -0.221 -1.442 347 1HG2 THR 46 3HG2 THR 46 63.609 -2.126 -4.199 348 2HG2 THR 46 2HG2 THR 46 63.359 -0.575 -3.388 349 3HG2 THR 46 1HG2 THR 46 64.622 -0.738 -4.611 350 H SER 47 H SER 47 64.716 -4.040 -0.386 351 HA SER 47 HA SER 47 67.425 -3.857 0.668 352 1HB SER 47 2HB SER 47 64.717 -4.371 1.813 353 2HB SER 47 1HB SER 47 66.136 -4.898 2.712 354 HG SER 47 HG SER 47 65.192 -2.341 2.194 355 H LYS 48 H LYS 48 65.218 -6.259 -0.538 356 HA LYS 48 HA LYS 48 66.036 -8.604 0.574 357 1HB LYS 48 2HB LYS 48 65.121 -7.865 -2.171 358 2HB LYS 48 1HB LYS 48 65.738 -9.492 -1.906 359 1HG LYS 48 2HG LYS 48 63.661 -8.385 -0.044 360 2HG LYS 48 1HG LYS 48 63.181 -8.980 -1.629 361 1HD LYS 48 2HD LYS 48 64.990 -10.819 -0.275 362 2HD LYS 48 1HD LYS 48 63.525 -10.515 0.657 363 1HE LYS 48 2HE LYS 48 63.529 -11.285 -2.264 364 2HE LYS 48 1HE LYS 48 63.375 -12.446 -0.948 365 1HZ LYS 48 3HZ LYS 48 61.428 -11.077 -0.194 366 2HZ LYS 48 2HZ LYS 48 61.517 -10.264 -1.683 367 3HZ LYS 48 1HZ LYS 48 61.209 -11.934 -1.641 368 H ALA 49 H ALA 49 67.489 -7.241 -2.389 369 HA ALA 49 HA ALA 49 69.550 -7.541 -3.343 370 1HB ALA 49 2HB ALA 49 69.956 -6.660 -0.793 371 2HB ALA 49 1HB ALA 49 70.908 -8.147 -0.804 372 3HB ALA 49 3HB ALA 49 71.235 -6.881 -1.989 373 H SER 50 H SER 50 68.565 -9.602 -4.129 374 HA SER 50 HA SER 50 70.397 -11.728 -3.928 375 1HB SER 50 2HB SER 50 69.135 -11.875 -1.694 376 2HB SER 50 1HB SER 50 67.761 -12.412 -2.651 377 HG SER 50 HG SER 50 69.671 -13.919 -1.760 No H/Q in entry = 377 Start of MODEL 16 1 1H ALA 1 2H ALA 1 24.949 12.305 34.431 2 2H ALA 1 1H ALA 1 23.612 12.503 35.461 3 3H ALA 1 3H ALA 1 23.664 13.320 33.976 4 HA ALA 1 HA ALA 1 25.122 14.882 34.682 5 1HB ALA 1 2HB ALA 1 23.042 14.950 36.111 6 2HB ALA 1 1HB ALA 1 23.922 14.033 37.336 7 3HB ALA 1 3HB ALA 1 24.467 15.651 36.889 8 H GLU 2 H GLU 2 27.118 15.368 35.469 9 HA GLU 2 HA GLU 2 29.250 15.000 36.229 10 1HB GLU 2 2HB GLU 2 27.848 14.865 38.381 11 2HB GLU 2 1HB GLU 2 28.065 13.121 38.256 12 1HG GLU 2 2HG GLU 2 30.485 14.848 38.028 13 2HG GLU 2 1HG GLU 2 29.764 14.638 39.624 14 H GLY 3 H GLY 3 29.539 13.832 34.175 15 1HA GLY 3 2HA GLY 3 31.009 11.504 34.411 16 2HA GLY 3 1HA GLY 3 29.364 10.996 34.029 17 H ASP 4 H ASP 4 32.266 11.683 32.676 18 HA ASP 4 HA ASP 4 31.044 12.481 30.107 19 1HB ASP 4 2HB ASP 4 32.408 14.295 31.017 20 2HB ASP 4 1HB ASP 4 33.783 13.201 31.154 21 H ASP 5 H ASP 5 34.241 11.320 31.083 22 HA ASP 5 HA ASP 5 34.729 9.748 28.849 23 1HB ASP 5 2HB ASP 5 36.449 10.403 30.482 24 2HB ASP 5 1HB ASP 5 35.739 9.298 31.659 25 HA PRO 6 HA PRO 6 31.832 6.461 29.960 26 1HB PRO 6 2HB PRO 6 31.348 5.645 27.422 27 2HB PRO 6 1HB PRO 6 30.546 7.031 28.173 28 1HG PRO 6 2HG PRO 6 32.578 6.982 26.070 29 2HG PRO 6 1HG PRO 6 31.462 8.274 26.530 30 1HD PRO 6 2HD PRO 6 34.242 8.025 27.193 31 2HD PRO 6 1HD PRO 6 33.121 9.331 27.620 32 H ALA 7 H ALA 7 34.415 6.118 27.545 33 HA ALA 7 HA ALA 7 36.147 4.599 27.443 34 1HB ALA 7 2HB ALA 7 35.324 4.192 30.018 35 2HB ALA 7 1HB ALA 7 35.050 2.605 29.297 36 3HB ALA 7 3HB ALA 7 36.655 3.336 29.237 37 H LYS 8 H LYS 8 32.918 3.167 27.869 38 HA LYS 8 HA LYS 8 33.340 1.668 25.381 39 1HB LYS 8 2HB LYS 8 33.695 -0.061 26.844 40 2HB LYS 8 1HB LYS 8 32.698 0.653 28.105 41 1HG LYS 8 2HG LYS 8 31.605 -1.374 27.238 42 2HG LYS 8 1HG LYS 8 30.676 0.068 26.823 43 1HD LYS 8 2HD LYS 8 31.027 -1.703 24.981 44 2HD LYS 8 1HD LYS 8 31.275 -0.013 24.566 45 1HE LYS 8 2HE LYS 8 33.024 -1.666 23.714 46 2HE LYS 8 1HE LYS 8 33.641 -0.251 24.564 47 1HZ LYS 8 2HZ LYS 8 33.129 -2.336 26.403 48 2HZ LYS 8 1HZ LYS 8 34.107 -2.922 25.143 49 3HZ LYS 8 3HZ LYS 8 34.601 -1.571 26.040 50 H ALA 9 H ALA 9 30.888 2.470 27.851 51 HA ALA 9 HA ALA 9 28.538 2.083 26.612 52 1HB ALA 9 1HB ALA 9 29.506 4.144 28.493 53 2HB ALA 9 3HB ALA 9 27.978 4.491 27.681 54 3HB ALA 9 2HB ALA 9 28.154 3.018 28.639 55 H ALA 10 H ALA 10 29.574 5.455 26.549 56 HA ALA 10 HA ALA 10 28.114 6.282 24.384 57 1HB ALA 10 2HB ALA 10 29.678 7.584 26.026 58 2HB ALA 10 1HB ALA 10 30.874 7.375 24.745 59 3HB ALA 10 3HB ALA 10 29.364 8.226 24.412 60 H PHE 11 H PHE 11 31.467 5.083 24.290 61 HA PHE 11 HA PHE 11 32.012 5.371 21.602 62 1HB PHE 11 2HB PHE 11 33.260 4.147 23.735 63 2HB PHE 11 1HB PHE 11 32.938 2.808 22.649 64 HD1 PHE 11 HD2 PHE 11 34.627 6.105 22.938 65 HD2 PHE 11 HD1 PHE 11 34.149 2.554 20.585 66 HE1 PHE 11 HE2 PHE 11 36.556 6.748 21.557 67 HE2 PHE 11 HE1 PHE 11 36.078 3.216 19.213 68 HZ PHE 11 HZ PHE 11 37.282 5.308 19.697 69 H ASN 12 H ASN 12 30.289 2.697 23.176 70 HA ASN 12 HA ASN 12 29.959 1.170 20.786 71 1HB ASN 12 2HB ASN 12 29.783 0.493 23.325 72 2HB ASN 12 1HB ASN 12 28.084 0.910 23.093 73 1HD2 ASN 12 2HD2 ASN 12 29.083 -2.694 22.129 74 2HD2 ASN 12 1HD2 ASN 12 29.683 -1.689 23.400 75 H SER 13 H SER 13 28.250 3.822 22.203 76 HA SER 13 HA SER 13 25.726 3.423 20.955 77 1HB SER 13 2HB SER 13 26.554 6.183 21.485 78 2HB SER 13 1HB SER 13 25.134 5.296 22.048 79 HG SER 13 HG SER 13 26.195 5.271 23.880 80 H LEU 14 H LEU 14 28.718 4.244 19.618 81 HA LEU 14 HA LEU 14 27.500 5.885 17.514 82 1HB LEU 14 2HB LEU 14 30.360 5.312 18.283 83 2HB LEU 14 1HB LEU 14 29.963 5.976 16.709 84 HG LEU 14 HG LEU 14 30.588 7.671 18.379 85 1HD1 LEU 14 2HD1 LEU 14 28.682 7.890 16.483 86 2HD1 LEU 14 1HD1 LEU 14 27.732 8.305 17.911 87 3HD1 LEU 14 3HD1 LEU 14 29.176 9.234 17.512 88 1HD2 LEU 14 3HD2 LEU 14 28.058 6.815 19.797 89 2HD2 LEU 14 2HD2 LEU 14 29.710 6.660 20.403 90 3HD2 LEU 14 1HD2 LEU 14 28.996 8.258 20.180 91 H GLN 15 H GLN 15 29.573 3.058 17.867 92 HA GLN 15 HA GLN 15 29.819 2.099 15.349 93 1HB GLN 15 2HB GLN 15 30.904 0.975 17.086 94 2HB GLN 15 1HB GLN 15 29.422 0.779 18.008 95 1HG GLN 15 2HG GLN 15 28.618 -0.815 16.254 96 2HG GLN 15 1HG GLN 15 30.187 -0.675 15.464 97 1HE2 GLN 15 2HD2 GLN 15 31.031 -3.512 17.355 98 2HE2 GLN 15 1HD2 GLN 15 30.596 -2.892 15.802 99 H ALA 16 H ALA 16 27.028 1.613 17.491 100 HA ALA 16 HA ALA 16 25.542 0.314 15.320 101 1HB ALA 16 1HB ALA 16 25.691 -0.284 17.950 102 2HB ALA 16 3HB ALA 16 24.256 0.741 17.938 103 3HB ALA 16 2HB ALA 16 24.315 -0.705 16.927 104 H SER 17 H SER 17 26.163 3.245 15.426 105 HA SER 17 HA SER 17 23.411 4.170 14.989 106 1HB SER 17 2HB SER 17 23.557 6.014 16.387 107 2HB SER 17 1HB SER 17 24.368 4.770 17.331 108 HG SER 17 HG SER 17 25.480 6.922 15.863 109 H ALA 18 H ALA 18 26.781 5.334 14.936 110 HA ALA 18 HA ALA 18 26.261 6.888 12.531 111 1HB ALA 18 2HB ALA 18 28.547 6.605 14.439 112 2HB ALA 18 1HB ALA 18 28.812 7.324 12.851 113 3HB ALA 18 3HB ALA 18 27.657 8.053 13.967 114 H THR 19 H THR 19 25.785 4.432 11.772 115 HA THR 19 HA THR 19 28.238 3.297 10.620 116 HB THR 19 HB THR 19 26.540 1.875 11.870 117 HG1 THR 19 HG1 THR 19 28.013 0.799 10.684 118 1HG2 THR 19 3HG2 THR 19 24.776 2.964 9.905 119 2HG2 THR 19 2HG2 THR 19 24.927 1.233 9.603 120 3HG2 THR 19 1HG2 THR 19 24.403 1.809 11.187 121 H GLU 20 H GLU 20 26.588 5.757 9.711 122 HA GLU 20 HA GLU 20 25.895 4.940 7.003 123 1HB GLU 20 2HB GLU 20 24.884 6.841 8.797 124 2HB GLU 20 1HB GLU 20 25.654 7.764 7.510 125 1HG GLU 20 2HG GLU 20 23.251 7.279 7.077 126 2HG GLU 20 1HG GLU 20 24.327 6.640 5.838 127 H TYR 21 H TYR 21 28.476 6.306 8.712 128 HA TYR 21 HA TYR 21 29.660 7.412 6.248 129 1HB TYR 21 2HB TYR 21 30.147 8.002 9.158 130 2HB TYR 21 1HB TYR 21 31.237 8.539 7.890 131 HD1 TYR 21 HD2 TYR 21 30.466 10.181 6.198 132 HD2 TYR 21 HD1 TYR 21 28.012 9.040 9.508 133 HE1 TYR 21 HE2 TYR 21 29.028 12.141 5.816 134 HE2 TYR 21 HE1 TYR 21 26.579 11.003 9.114 135 HH TYR 21 HH TYR 21 26.408 12.976 8.015 136 H ILE 22 H ILE 22 29.938 4.895 8.579 137 HA ILE 22 HA ILE 22 32.722 4.328 7.903 138 HB ILE 22 HB ILE 22 30.925 2.624 9.599 139 1HG1 ILE 22 2HG1 ILE 22 32.072 5.316 10.288 140 2HG1 ILE 22 1HG1 ILE 22 30.604 4.537 10.891 141 1HG2 ILE 22 3HG2 ILE 22 33.177 1.788 8.861 142 2HG2 ILE 22 2HG2 ILE 22 33.912 3.081 9.816 143 3HG2 ILE 22 1HG2 ILE 22 32.954 1.833 10.612 144 1HD1 ILE 22 1HD1 ILE 22 32.309 2.928 12.089 145 2HD1 ILE 22 3HD1 ILE 22 33.414 4.288 11.876 146 3HD1 ILE 22 2HD1 ILE 22 31.913 4.505 12.779 147 H GLY 23 H GLY 23 32.186 3.968 5.679 148 1HA GLY 23 2HA GLY 23 31.951 1.211 5.029 149 2HA GLY 23 1HA GLY 23 30.464 2.067 4.623 150 H TYR 24 H TYR 24 31.159 4.391 3.633 151 HA TYR 24 HA TYR 24 32.081 3.890 1.035 152 1HB TYR 24 2HB TYR 24 32.047 6.520 2.513 153 2HB TYR 24 1HB TYR 24 32.098 6.308 0.770 154 HD1 TYR 24 HD2 TYR 24 30.145 5.004 -0.311 155 HD2 TYR 24 HD1 TYR 24 29.955 6.698 3.618 156 HE1 TYR 24 HE2 TYR 24 27.686 4.947 -0.393 157 HE2 TYR 24 HE1 TYR 24 27.502 6.632 3.518 158 HH TYR 24 HH TYR 24 25.786 5.857 0.597 159 H ALA 25 H ALA 25 33.794 4.571 3.963 160 HA ALA 25 HA ALA 25 36.223 5.489 2.732 161 1HB ALA 25 1HB ALA 25 35.184 5.144 5.406 162 2HB ALA 25 3HB ALA 25 36.832 4.524 5.283 163 3HB ALA 25 2HB ALA 25 36.481 6.196 4.835 164 H TRP 26 H TRP 26 34.799 2.430 3.016 165 HA TRP 26 HA TRP 26 37.233 0.914 3.324 166 1HB TRP 26 2HB TRP 26 34.395 0.375 3.271 167 2HB TRP 26 1HB TRP 26 35.266 -0.748 2.240 168 HD1 TRP 26 1HD TRP 26 34.601 0.047 5.880 169 HE1 TRP 26 1HE TRP 26 35.812 -1.665 7.334 170 HE3 TRP 26 3HE TRP 26 37.503 -2.241 2.336 171 HZ2 TRP 26 2HZ TRP 26 37.724 -3.703 7.072 172 HZ3 TRP 26 3HZ TRP 26 39.008 -4.069 3.010 173 HH2 TRP 26 HH2 TRP 26 39.120 -4.796 5.357 174 H ALA 27 H ALA 27 34.981 1.591 0.657 175 HA ALA 27 HA ALA 27 36.206 0.145 -1.364 176 1HB ALA 27 3HB ALA 27 34.332 2.362 -1.184 177 2HB ALA 27 2HB ALA 27 35.360 2.475 -2.614 178 3HB ALA 27 1HB ALA 27 34.389 1.028 -2.337 179 H MET 28 H MET 28 36.812 3.531 -0.453 180 HA MET 28 HA MET 28 38.817 4.099 -2.288 181 1HB MET 28 2HB MET 28 37.815 5.262 0.187 182 2HB MET 28 1HB MET 28 39.548 5.471 0.030 183 1HG MET 28 2HG MET 28 38.046 7.320 -0.928 184 2HG MET 28 1HG MET 28 39.340 6.733 -1.960 185 1HE MET 28 2HE MET 28 38.259 7.903 -3.895 186 2HE MET 28 1HE MET 28 38.765 6.346 -4.549 187 3HE MET 28 3HE MET 28 37.183 7.015 -4.972 188 H VAL 29 H VAL 29 39.091 2.722 0.973 189 HA VAL 29 HA VAL 29 41.852 2.615 1.207 190 HB VAL 29 HB VAL 29 39.740 0.711 2.211 191 1HG1 VAL 29 3HG1 VAL 29 42.622 0.988 3.060 192 2HG1 VAL 29 2HG1 VAL 29 41.402 0.011 3.880 193 3HG1 VAL 29 1HG1 VAL 29 41.902 -0.396 2.237 194 1HG2 VAL 29 3HG2 VAL 29 40.040 3.319 2.843 195 2HG2 VAL 29 2HG2 VAL 29 39.437 2.102 3.970 196 3HG2 VAL 29 1HG2 VAL 29 41.133 2.584 4.017 197 H VAL 30 H VAL 30 39.648 0.450 -0.499 198 HA VAL 30 HA VAL 30 41.465 -1.620 -1.051 199 HB VAL 30 HB VAL 30 39.046 -0.660 -2.571 200 1HG1 VAL 30 1HG1 VAL 30 40.939 -2.843 -3.035 201 2HG1 VAL 30 3HG1 VAL 30 39.244 -3.330 -3.042 202 3HG1 VAL 30 2HG1 VAL 30 39.803 -2.068 -4.140 203 1HG2 VAL 30 1HG2 VAL 30 39.451 -2.502 -0.251 204 2HG2 VAL 30 3HG2 VAL 30 38.219 -1.264 -0.499 205 3HG2 VAL 30 2HG2 VAL 30 38.122 -2.793 -1.375 206 H VAL 31 H VAL 31 41.041 1.542 -2.410 207 HA VAL 31 HA VAL 31 42.538 0.960 -4.814 208 HB VAL 31 HB VAL 31 41.388 3.486 -3.653 209 1HG1 VAL 31 2HG1 VAL 31 43.359 4.023 -4.971 210 2HG1 VAL 31 1HG1 VAL 31 42.732 3.077 -6.321 211 3HG1 VAL 31 3HG1 VAL 31 41.892 4.540 -5.804 212 1HG2 VAL 31 1HG2 VAL 31 40.442 1.415 -5.543 213 2HG2 VAL 31 3HG2 VAL 31 39.529 2.450 -4.442 214 3HG2 VAL 31 2HG2 VAL 31 40.098 3.090 -5.986 215 H ILE 32 H ILE 32 43.058 2.203 -1.644 216 HA ILE 32 HA ILE 32 45.704 3.262 -2.267 217 HB ILE 32 HB ILE 32 44.333 3.016 0.405 218 1HG1 ILE 32 2HG1 ILE 32 44.329 5.298 -1.576 219 2HG1 ILE 32 1HG1 ILE 32 42.942 4.326 -1.093 220 1HG2 ILE 32 2HG2 ILE 32 46.857 3.392 0.264 221 2HG2 ILE 32 1HG2 ILE 32 46.466 4.978 -0.403 222 3HG2 ILE 32 3HG2 ILE 32 45.924 4.546 1.220 223 1HD1 ILE 32 1HD1 ILE 32 43.454 5.120 1.300 224 2HD1 ILE 32 3HD1 ILE 32 44.481 6.336 0.537 225 3HD1 ILE 32 2HD1 ILE 32 42.751 6.295 0.187 226 H VAL 33 H VAL 33 44.259 0.348 -1.129 227 HA VAL 33 HA VAL 33 46.237 -0.739 0.482 228 HB VAL 33 HB VAL 33 44.009 -1.728 -1.190 229 1HG1 VAL 33 3HG1 VAL 33 45.738 -3.304 -1.859 230 2HG1 VAL 33 2HG1 VAL 33 46.111 -3.633 -0.166 231 3HG1 VAL 33 1HG1 VAL 33 44.539 -4.083 -0.827 232 1HG2 VAL 33 3HG2 VAL 33 44.912 -2.141 1.655 233 2HG2 VAL 33 2HG2 VAL 33 43.571 -1.146 1.080 234 3HG2 VAL 33 1HG2 VAL 33 43.482 -2.905 0.959 235 H GLY 34 H GLY 34 45.861 -0.964 -3.059 236 1HA GLY 34 2HA GLY 34 48.227 -2.476 -3.489 237 2HA GLY 34 1HA GLY 34 47.342 -1.568 -4.717 238 H ALA 35 H ALA 35 47.575 0.956 -4.256 239 HA ALA 35 HA ALA 35 50.106 1.766 -4.959 240 1HB ALA 35 2HB ALA 35 47.698 3.036 -4.389 241 2HB ALA 35 1HB ALA 35 48.838 3.745 -3.245 242 3HB ALA 35 3HB ALA 35 49.174 3.807 -4.976 243 H THR 36 H THR 36 48.884 0.990 -1.809 244 HA THR 36 HA THR 36 50.983 2.169 -0.270 245 HB THR 36 HB THR 36 48.883 0.083 0.278 246 HG1 THR 36 HG1 THR 36 47.853 1.729 1.217 247 1HG2 THR 36 2HG2 THR 36 51.088 1.058 2.062 248 2HG2 THR 36 1HG2 THR 36 49.544 0.522 2.729 249 3HG2 THR 36 3HG2 THR 36 50.531 -0.595 1.783 250 H ILE 37 H ILE 37 50.323 -1.114 -1.462 251 HA ILE 37 HA ILE 37 52.498 -2.436 -0.317 252 HB ILE 37 HB ILE 37 51.089 -2.909 -2.937 253 1HG1 ILE 37 2HG1 ILE 37 50.778 -4.167 -0.227 254 2HG1 ILE 37 1HG1 ILE 37 49.648 -3.058 -0.989 255 1HG2 ILE 37 1HG2 ILE 37 53.319 -3.964 -2.923 256 2HG2 ILE 37 3HG2 ILE 37 52.887 -4.806 -1.433 257 3HG2 ILE 37 2HG2 ILE 37 52.010 -5.147 -2.926 258 1HD1 ILE 37 1HD1 ILE 37 49.586 -4.793 -2.912 259 2HD1 ILE 37 3HD1 ILE 37 50.291 -5.899 -1.733 260 3HD1 ILE 37 2HD1 ILE 37 48.716 -5.167 -1.422 261 H GLY 38 H GLY 38 52.258 -0.764 -3.441 262 1HA GLY 38 2HA GLY 38 54.741 -1.290 -4.522 263 2HA GLY 38 1HA GLY 38 53.869 0.226 -4.753 264 H ILE 39 H ILE 39 54.050 1.793 -2.940 265 HA ILE 39 HA ILE 39 56.626 2.665 -2.563 266 HB ILE 39 HB ILE 39 54.261 3.067 -0.730 267 1HG1 ILE 39 2HG1 ILE 39 54.966 5.251 -2.511 268 2HG1 ILE 39 1HG1 ILE 39 54.549 3.794 -3.402 269 1HG2 ILE 39 1HG2 ILE 39 56.966 4.263 -0.860 270 2HG2 ILE 39 3HG2 ILE 39 55.613 5.337 -0.512 271 3HG2 ILE 39 2HG2 ILE 39 55.930 3.950 0.533 272 1HD1 ILE 39 1HD1 ILE 39 52.640 4.010 -1.345 273 2HD1 ILE 39 3HD1 ILE 39 52.815 5.630 -2.024 274 3HD1 ILE 39 2HD1 ILE 39 52.391 4.275 -3.072 275 H LYS 40 H LYS 40 54.752 0.522 -0.438 276 HA LYS 40 HA LYS 40 56.497 0.389 1.724 277 1HB LYS 40 2HB LYS 40 54.120 -0.647 1.280 278 2HB LYS 40 1HB LYS 40 55.059 -2.047 0.775 279 1HG LYS 40 2HG LYS 40 55.065 -2.599 2.948 280 2HG LYS 40 1HG LYS 40 56.273 -1.329 3.131 281 1HD LYS 40 2HD LYS 40 53.375 -0.614 3.190 282 2HD LYS 40 1HD LYS 40 54.096 -1.342 4.622 283 1HE LYS 40 2HE LYS 40 54.735 1.292 3.303 284 2HE LYS 40 1HE LYS 40 54.319 0.976 4.986 285 1HZ LYS 40 3HZ LYS 40 56.497 -0.392 4.950 286 2HZ LYS 40 2HZ LYS 40 56.878 0.577 3.609 287 3HZ LYS 40 1HZ LYS 40 56.561 1.294 5.115 288 H LEU 41 H LEU 41 56.334 -1.657 -1.168 289 HA LEU 41 HA LEU 41 58.414 -3.411 -0.618 290 1HB LEU 41 2HB LEU 41 57.246 -2.319 -3.152 291 2HB LEU 41 1HB LEU 41 58.618 -3.415 -3.208 292 HG LEU 41 HG LEU 41 55.919 -3.951 -1.962 293 1HD1 LEU 41 2HD1 LEU 41 57.069 -4.456 -4.587 294 2HD1 LEU 41 1HD1 LEU 41 56.449 -5.919 -3.820 295 3HD1 LEU 41 3HD1 LEU 41 55.389 -4.529 -4.054 296 1HD2 LEU 41 2HD2 LEU 41 58.511 -5.387 -1.731 297 2HD2 LEU 41 1HD2 LEU 41 57.173 -5.264 -0.583 298 3HD2 LEU 41 3HD2 LEU 41 57.060 -6.366 -1.956 299 H PHE 42 H PHE 42 58.503 -0.099 -1.666 300 HA PHE 42 HA PHE 42 61.220 -0.086 -2.564 301 1HB PHE 42 2HB PHE 42 59.213 1.558 -3.016 302 2HB PHE 42 1HB PHE 42 59.855 2.385 -1.603 303 HD1 PHE 42 HD1 PHE 42 60.909 0.967 -4.885 304 HD2 PHE 42 HD2 PHE 42 61.583 3.916 -1.873 305 HE1 PHE 42 HE1 PHE 42 62.609 2.038 -6.313 306 HE2 PHE 42 HE2 PHE 42 63.283 4.987 -3.302 307 HZ PHE 42 HZ PHE 42 63.795 4.048 -5.522 308 H LYS 43 H LYS 43 59.653 1.230 0.363 309 HA LYS 43 HA LYS 43 61.898 2.163 1.676 310 1HB LYS 43 2HB LYS 43 59.314 1.030 2.683 311 2HB LYS 43 1HB LYS 43 60.522 1.744 3.755 312 1HG LYS 43 2HG LYS 43 60.012 3.387 1.405 313 2HG LYS 43 1HG LYS 43 58.553 3.096 2.329 314 1HD LYS 43 2HD LYS 43 59.604 3.963 4.363 315 2HD LYS 43 1HD LYS 43 61.134 4.154 3.513 316 1HE LYS 43 2HE LYS 43 58.777 5.905 3.571 317 2HE LYS 43 1HE LYS 43 60.465 6.287 3.242 318 1HZ LYS 43 3HZ LYS 43 60.168 5.409 0.995 319 2HZ LYS 43 2HZ LYS 43 58.529 5.101 1.324 320 3HZ LYS 43 1HZ LYS 43 59.110 6.697 1.309 321 H LYS 44 H LYS 44 61.000 -1.127 1.115 322 HA LYS 44 HA LYS 44 62.395 -2.255 3.343 323 1HB LYS 44 2HB LYS 44 60.704 -3.146 1.204 324 2HB LYS 44 1HB LYS 44 62.175 -4.089 1.150 325 1HG LYS 44 2HG LYS 44 61.641 -5.278 3.008 326 2HG LYS 44 1HG LYS 44 60.966 -3.873 3.843 327 1HD LYS 44 2HD LYS 44 58.901 -4.036 2.693 328 2HD LYS 44 1HD LYS 44 59.546 -5.189 1.527 329 1HE LYS 44 2HE LYS 44 58.062 -5.855 3.745 330 2HE LYS 44 1HE LYS 44 59.175 -6.969 2.955 331 1HZ LYS 44 2HZ LYS 44 59.850 -5.186 5.236 332 2HZ LYS 44 1HZ LYS 44 59.510 -6.846 5.353 333 3HZ LYS 44 3HZ LYS 44 60.886 -6.320 4.512 334 H PHE 45 H PHE 45 63.069 -2.319 -0.159 335 HA PHE 45 HA PHE 45 65.685 -3.313 0.040 336 1HB PHE 45 2HB PHE 45 64.064 -1.914 -2.023 337 2HB PHE 45 1HB PHE 45 65.791 -2.007 -2.264 338 HD1 PHE 45 HD1 PHE 45 66.918 -4.286 -2.330 339 HD2 PHE 45 HD2 PHE 45 62.651 -3.825 -2.399 340 HE1 PHE 45 HE1 PHE 45 66.671 -6.576 -3.182 341 HE2 PHE 45 HE2 PHE 45 62.431 -6.117 -3.252 342 HZ PHE 45 HZ PHE 45 64.433 -7.493 -3.644 343 H THR 46 H THR 46 64.373 -0.119 0.396 344 HA THR 46 HA THR 46 66.982 1.155 0.238 345 HB THR 46 HB THR 46 65.761 3.199 0.375 346 HG1 THR 46 HG1 THR 46 63.703 1.532 1.289 347 1HG2 THR 46 3HG2 THR 46 65.316 1.248 -1.606 348 2HG2 THR 46 2HG2 THR 46 63.761 2.035 -1.320 349 3HG2 THR 46 1HG2 THR 46 65.170 3.000 -1.766 350 H SER 47 H SER 47 65.573 -0.625 2.550 351 HA SER 47 HA SER 47 66.012 1.163 4.808 352 1HB SER 47 2HB SER 47 64.102 -0.319 4.916 353 2HB SER 47 1HB SER 47 65.130 -1.722 4.644 354 HG SER 47 HG SER 47 66.128 -1.292 6.651 355 H LYS 48 H LYS 48 67.555 -1.523 3.181 356 HA LYS 48 HA LYS 48 69.325 -2.534 4.966 357 1HB LYS 48 2HB LYS 48 69.561 -1.903 2.053 358 2HB LYS 48 1HB LYS 48 70.970 -2.504 2.918 359 1HG LYS 48 2HG LYS 48 69.665 -4.500 3.609 360 2HG LYS 48 1HG LYS 48 68.280 -3.885 2.702 361 1HD LYS 48 2HD LYS 48 70.976 -4.653 1.591 362 2HD LYS 48 1HD LYS 48 69.467 -5.539 1.390 363 1HE LYS 48 2HE LYS 48 68.563 -3.382 0.320 364 2HE LYS 48 1HE LYS 48 70.247 -2.875 0.225 365 1HZ LYS 48 3HZ LYS 48 69.866 -5.531 -0.742 366 2HZ LYS 48 2HZ LYS 48 68.910 -4.411 -1.589 367 3HZ LYS 48 1HZ LYS 48 70.593 -4.200 -1.502 368 H ALA 49 H ALA 49 70.084 0.290 2.919 369 HA ALA 49 HA ALA 49 71.591 1.986 3.169 370 1HB ALA 49 3HB ALA 49 70.244 1.661 5.761 371 2HB ALA 49 2HB ALA 49 71.777 2.532 5.833 372 3HB ALA 49 1HB ALA 49 70.482 3.109 4.782 373 H SER 50 H SER 50 72.385 0.666 6.338 374 HA SER 50 HA SER 50 75.147 0.744 5.964 375 1HB SER 50 2HB SER 50 73.920 0.558 8.152 376 2HB SER 50 1HB SER 50 73.677 -1.149 7.797 377 HG SER 50 HG SER 50 76.159 0.225 8.093 No H/Q in entry = 377 Start of MODEL 17 1 1H ALA 1 2H ALA 1 19.037 -30.797 19.342 2 2H ALA 1 1H ALA 1 18.544 -30.441 20.928 3 3H ALA 1 3H ALA 1 17.961 -31.832 20.152 4 HA ALA 1 HA ALA 1 16.196 -30.364 20.009 5 1HB ALA 1 2HB ALA 1 17.511 -28.356 20.730 6 2HB ALA 1 1HB ALA 1 18.158 -28.238 19.091 7 3HB ALA 1 3HB ALA 1 16.430 -28.015 19.373 8 H GLU 2 H GLU 2 16.203 -32.172 18.417 9 HA GLU 2 HA GLU 2 16.130 -33.050 16.282 10 1HB GLU 2 2HB GLU 2 14.812 -31.543 14.724 11 2HB GLU 2 1HB GLU 2 14.047 -31.935 16.261 12 1HG GLU 2 2HG GLU 2 14.694 -29.779 17.178 13 2HG GLU 2 1HG GLU 2 15.580 -29.388 15.703 14 H GLY 3 H GLY 3 18.220 -33.304 15.604 15 1HA GLY 3 2HA GLY 3 20.051 -33.019 14.257 16 2HA GLY 3 1HA GLY 3 19.091 -31.847 13.359 17 H ASP 4 H ASP 4 21.967 -31.986 14.544 18 HA ASP 4 HA ASP 4 22.138 -29.176 15.155 19 1HB ASP 4 2HB ASP 4 21.559 -30.614 17.327 20 2HB ASP 4 1HB ASP 4 23.304 -30.870 17.302 21 H ASP 5 H ASP 5 23.474 -29.274 13.292 22 HA ASP 5 HA ASP 5 26.226 -29.572 13.835 23 1HB ASP 5 2HB ASP 5 25.326 -32.002 13.497 24 2HB ASP 5 1HB ASP 5 25.333 -31.562 11.788 25 HA PRO 6 HA PRO 6 25.163 -26.991 10.178 26 1HB PRO 6 2HB PRO 6 25.944 -24.608 11.191 27 2HB PRO 6 1HB PRO 6 24.325 -25.283 11.432 28 1HG PRO 6 2HG PRO 6 26.532 -25.004 13.343 29 2HG PRO 6 1HG PRO 6 24.797 -25.192 13.640 30 1HD PRO 6 2HD PRO 6 26.829 -27.192 13.814 31 2HD PRO 6 1HD PRO 6 25.083 -27.386 14.062 32 H ALA 7 H ALA 7 27.993 -27.220 12.205 33 HA ALA 7 HA ALA 7 30.240 -27.158 11.759 34 1HB ALA 7 3HB ALA 7 29.166 -27.622 8.977 35 2HB ALA 7 2HB ALA 7 30.892 -27.570 9.343 36 3HB ALA 7 1HB ALA 7 29.870 -28.806 10.081 37 H LYS 8 H LYS 8 28.728 -24.710 11.911 38 HA LYS 8 HA LYS 8 28.703 -22.492 11.270 39 1HB LYS 8 2HB LYS 8 31.648 -22.901 11.482 40 2HB LYS 8 1HB LYS 8 30.673 -21.522 11.915 41 1HG LYS 8 2HG LYS 8 29.947 -22.441 13.912 42 2HG LYS 8 1HG LYS 8 30.129 -24.087 13.312 43 1HD LYS 8 2HD LYS 8 31.803 -23.189 15.106 44 2HD LYS 8 1HD LYS 8 32.389 -24.187 13.785 45 1HE LYS 8 2HE LYS 8 33.720 -22.054 14.389 46 2HE LYS 8 1HE LYS 8 33.387 -22.363 12.685 47 1HZ LYS 8 3HZ LYS 8 31.296 -20.869 13.933 48 2HZ LYS 8 2HZ LYS 8 32.796 -20.087 14.081 49 3HZ LYS 8 1HZ LYS 8 32.203 -20.506 12.545 50 H ALA 9 H ALA 9 28.684 -24.074 9.006 51 HA ALA 9 HA ALA 9 30.555 -22.944 7.083 52 1HB ALA 9 3HB ALA 9 28.943 -25.316 7.245 53 2HB ALA 9 2HB ALA 9 28.592 -24.457 5.744 54 3HB ALA 9 1HB ALA 9 30.248 -24.936 6.121 55 H ALA 10 H ALA 10 27.011 -23.354 7.073 56 HA ALA 10 HA ALA 10 26.539 -21.344 5.148 57 1HB ALA 10 1HB ALA 10 24.882 -22.939 7.024 58 2HB ALA 10 3HB ALA 10 24.164 -21.470 6.359 59 3HB ALA 10 2HB ALA 10 24.739 -22.741 5.277 60 H PHE 11 H PHE 11 26.268 -21.307 8.690 61 HA PHE 11 HA PHE 11 25.266 -18.777 9.109 62 1HB PHE 11 2HB PHE 11 26.168 -20.708 10.735 63 2HB PHE 11 1HB PHE 11 27.513 -19.585 10.859 64 HD1 PHE 11 HD1 PHE 11 26.751 -17.038 11.134 65 HD2 PHE 11 HD2 PHE 11 24.438 -20.442 12.315 66 HE1 PHE 11 HE1 PHE 11 25.498 -15.644 12.730 67 HE2 PHE 11 HE2 PHE 11 23.195 -19.038 13.903 68 HZ PHE 11 HZ PHE 11 23.721 -16.642 14.113 69 H ASN 12 H ASN 12 28.623 -19.700 8.460 70 HA ASN 12 HA ASN 12 29.679 -17.057 8.731 71 1HB ASN 12 2HB ASN 12 30.861 -19.418 8.757 72 2HB ASN 12 1HB ASN 12 31.010 -19.116 7.024 73 1HD2 ASN 12 2HD2 ASN 12 34.041 -17.723 8.519 74 2HD2 ASN 12 1HD2 ASN 12 33.323 -19.270 8.244 75 H SER 13 H SER 13 28.747 -19.071 5.955 76 HA SER 13 HA SER 13 29.480 -17.394 3.872 77 1HB SER 13 2HB SER 13 26.886 -18.630 3.416 78 2HB SER 13 1HB SER 13 28.427 -18.917 2.611 79 HG SER 13 HG SER 13 28.073 -20.791 3.649 80 H LEU 14 H LEU 14 26.721 -17.215 6.029 81 HA LEU 14 HA LEU 14 25.203 -15.307 4.603 82 1HB LEU 14 2HB LEU 14 24.299 -16.640 6.464 83 2HB LEU 14 1HB LEU 14 25.368 -15.788 7.575 84 HG LEU 14 HG LEU 14 24.223 -13.639 6.589 85 1HD1 LEU 14 1HD1 LEU 14 22.978 -15.069 4.854 86 2HD1 LEU 14 3HD1 LEU 14 21.921 -15.544 6.186 87 3HD1 LEU 14 2HD1 LEU 14 22.041 -13.848 5.716 88 1HD2 LEU 14 2HD2 LEU 14 22.914 -15.500 8.584 89 2HD2 LEU 14 1HD2 LEU 14 23.914 -14.075 8.906 90 3HD2 LEU 14 3HD2 LEU 14 22.292 -13.888 8.239 91 H GLN 15 H GLN 15 27.892 -15.054 6.824 92 HA GLN 15 HA GLN 15 27.770 -12.281 7.349 93 1HB GLN 15 2HB GLN 15 29.121 -13.831 8.674 94 2HB GLN 15 1HB GLN 15 30.157 -14.132 7.281 95 1HG GLN 15 2HG GLN 15 31.369 -12.537 8.470 96 2HG GLN 15 1HG GLN 15 30.501 -11.550 7.294 97 1HE2 GLN 15 2HD2 GLN 15 30.167 -10.308 10.884 98 2HE2 GLN 15 1HD2 GLN 15 31.527 -10.896 9.996 99 H ALA 16 H ALA 16 29.219 -14.159 4.756 100 HA ALA 16 HA ALA 16 30.290 -11.726 3.509 101 1HB ALA 16 2HB ALA 16 30.782 -14.652 3.210 102 2HB ALA 16 1HB ALA 16 31.110 -13.592 1.837 103 3HB ALA 16 3HB ALA 16 31.939 -13.328 3.372 104 H SER 17 H SER 17 27.379 -12.547 3.654 105 HA SER 17 HA SER 17 26.797 -12.812 0.777 106 1HB SER 17 2HB SER 17 24.648 -13.603 1.383 107 2HB SER 17 1HB SER 17 25.782 -14.412 2.458 108 HG SER 17 HG SER 17 24.792 -13.477 4.079 109 H ALA 18 H ALA 18 26.048 -10.869 3.637 110 HA ALA 18 HA ALA 18 24.545 -8.938 2.062 111 1HB ALA 18 3HB ALA 18 24.287 -9.764 4.623 112 2HB ALA 18 2HB ALA 18 25.260 -8.311 4.858 113 3HB ALA 18 1HB ALA 18 23.702 -8.206 4.035 114 H THR 19 H THR 19 27.769 -9.400 3.190 115 HA THR 19 HA THR 19 28.433 -6.568 2.775 116 HB THR 19 HB THR 19 30.589 -7.121 3.783 117 HG1 THR 19 HG1 THR 19 29.621 -9.721 4.290 118 1HG2 THR 19 1HG2 THR 19 28.116 -7.981 5.278 119 2HG2 THR 19 3HG2 THR 19 29.704 -7.949 6.047 120 3HG2 THR 19 2HG2 THR 19 29.005 -6.461 5.406 121 H GLU 20 H GLU 20 27.834 -8.646 0.642 122 HA GLU 20 HA GLU 20 30.376 -8.863 -0.741 123 1HB GLU 20 2HB GLU 20 28.250 -10.517 -0.588 124 2HB GLU 20 1HB GLU 20 27.876 -9.661 -2.080 125 1HG GLU 20 2HG GLU 20 29.174 -11.717 -2.481 126 2HG GLU 20 1HG GLU 20 30.030 -10.273 -3.014 127 H TYR 21 H TYR 21 27.745 -6.745 -0.595 128 HA TYR 21 HA TYR 21 28.314 -5.640 -3.262 129 1HB TYR 21 2HB TYR 21 25.946 -5.594 -1.457 130 2HB TYR 21 1HB TYR 21 26.185 -4.245 -2.558 131 HD1 TYR 21 HD2 TYR 21 26.240 -4.647 -5.017 132 HD2 TYR 21 HD1 TYR 21 25.244 -7.741 -2.242 133 HE1 TYR 21 HE2 TYR 21 25.268 -5.981 -6.845 134 HE2 TYR 21 HE1 TYR 21 24.277 -9.067 -4.077 135 HH TYR 21 HH TYR 21 24.767 -8.335 -7.345 136 H ILE 22 H ILE 22 28.664 -5.013 0.118 137 HA ILE 22 HA ILE 22 29.075 -2.155 -0.218 138 HB ILE 22 HB ILE 22 29.395 -4.031 2.125 139 1HG1 ILE 22 2HG1 ILE 22 27.057 -3.378 1.229 140 2HG1 ILE 22 1HG1 ILE 22 27.343 -3.190 2.965 141 1HG2 ILE 22 3HG2 ILE 22 30.321 -1.251 1.821 142 2HG2 ILE 22 2HG2 ILE 22 29.346 -1.532 3.262 143 3HG2 ILE 22 1HG2 ILE 22 30.808 -2.483 2.989 144 1HD1 ILE 22 1HD1 ILE 22 28.082 -0.722 1.818 145 2HD1 ILE 22 3HD1 ILE 22 26.585 -1.199 1.014 146 3HD1 ILE 22 2HD1 ILE 22 26.646 -1.080 2.772 147 H GLY 23 H GLY 23 30.945 -4.902 -0.764 148 1HA GLY 23 2HA GLY 23 33.487 -4.001 0.153 149 2HA GLY 23 1HA GLY 23 33.200 -5.282 -1.023 150 H TYR 24 H TYR 24 31.564 -3.371 -2.670 151 HA TYR 24 HA TYR 24 33.523 -2.577 -4.500 152 1HB TYR 24 2HB TYR 24 30.655 -1.884 -4.075 153 2HB TYR 24 1HB TYR 24 31.592 -0.915 -5.197 154 HD1 TYR 24 HD1 TYR 24 32.664 -2.004 -7.187 155 HD2 TYR 24 HD2 TYR 24 29.956 -4.122 -4.629 156 HE1 TYR 24 HE1 TYR 24 32.355 -3.724 -8.919 157 HE2 TYR 24 HE2 TYR 24 29.664 -5.829 -6.374 158 HH TYR 24 HH TYR 24 29.889 -6.034 -8.813 159 H ALA 25 H ALA 25 32.355 -1.058 -1.622 160 HA ALA 25 HA ALA 25 33.470 1.548 -2.266 161 1HB ALA 25 2HB ALA 25 32.062 0.406 0.141 162 2HB ALA 25 1HB ALA 25 32.776 2.020 0.142 163 3HB ALA 25 3HB ALA 25 31.478 1.630 -0.989 164 H TRP 26 H TRP 26 34.505 -1.388 -0.820 165 HA TRP 26 HA TRP 26 36.444 -0.402 0.990 166 1HB TRP 26 2HB TRP 26 35.625 -2.965 -0.061 167 2HB TRP 26 1HB TRP 26 37.373 -2.851 0.001 168 HD1 TRP 26 1HD TRP 26 34.317 -3.181 2.212 169 HE1 TRP 26 1HE TRP 26 35.066 -3.442 4.633 170 HE3 TRP 26 3HE TRP 26 39.298 -2.140 1.695 171 HZ2 TRP 26 2HZ TRP 26 37.425 -3.252 6.156 172 HZ3 TRP 26 3HZ TRP 26 40.751 -2.201 3.683 173 HH2 TRP 26 HH2 TRP 26 39.827 -2.752 5.895 174 H ALA 27 H ALA 27 36.432 -0.928 -2.458 175 HA ALA 27 HA ALA 27 39.116 -1.046 -3.077 176 1HB ALA 27 2HB ALA 27 36.682 -0.078 -4.448 177 2HB ALA 27 1HB ALA 27 38.213 0.524 -5.088 178 3HB ALA 27 3HB ALA 27 37.917 -1.213 -4.999 179 H MET 28 H MET 28 37.152 1.900 -2.667 180 HA MET 28 HA MET 28 39.066 3.825 -3.123 181 1HB MET 28 2HB MET 28 36.500 3.693 -1.787 182 2HB MET 28 1HB MET 28 37.587 4.745 -0.903 183 1HG MET 28 2HG MET 28 36.135 5.834 -2.700 184 2HG MET 28 1HG MET 28 37.846 6.217 -2.741 185 1HE MET 28 1HE MET 28 37.154 7.244 -4.796 186 2HE MET 28 3HE MET 28 37.673 6.468 -6.300 187 3HE MET 28 2HE MET 28 35.967 6.481 -5.853 188 H VAL 29 H VAL 29 38.310 2.250 -0.025 189 HA VAL 29 HA VAL 29 40.292 3.526 1.507 190 HB VAL 29 HB VAL 29 39.067 0.794 1.865 191 1HG1 VAL 29 3HG1 VAL 29 41.095 1.189 3.208 192 2HG1 VAL 29 2HG1 VAL 29 40.342 2.634 3.886 193 3HG1 VAL 29 1HG1 VAL 29 39.647 1.043 4.203 194 1HG2 VAL 29 1HG2 VAL 29 38.014 3.503 2.194 195 2HG2 VAL 29 3HG2 VAL 29 37.163 1.961 2.095 196 3HG2 VAL 29 2HG2 VAL 29 37.840 2.497 3.634 197 H VAL 30 H VAL 30 40.325 0.588 -0.444 198 HA VAL 30 HA VAL 30 42.837 -0.384 0.373 199 HB VAL 30 HB VAL 30 40.814 -1.208 -1.321 200 1HG1 VAL 30 2HG1 VAL 30 41.935 -0.009 -3.201 201 2HG1 VAL 30 1HG1 VAL 30 43.329 -1.067 -2.975 202 3HG1 VAL 30 3HG1 VAL 30 41.772 -1.750 -3.447 203 1HG2 VAL 30 1HG2 VAL 30 43.533 -2.394 -0.791 204 2HG2 VAL 30 3HG2 VAL 30 42.047 -2.665 0.121 205 3HG2 VAL 30 2HG2 VAL 30 42.192 -3.271 -1.530 206 H VAL 31 H VAL 31 41.893 2.056 -1.940 207 HA VAL 31 HA VAL 31 44.442 2.331 -3.189 208 HB VAL 31 HB VAL 31 42.058 4.168 -3.049 209 1HG1 VAL 31 1HG1 VAL 31 44.704 4.493 -4.220 210 2HG1 VAL 31 3HG1 VAL 31 43.395 4.725 -5.379 211 3HG1 VAL 31 2HG1 VAL 31 43.447 5.690 -3.902 212 1HG2 VAL 31 1HG2 VAL 31 41.916 1.801 -4.126 213 2HG2 VAL 31 3HG2 VAL 31 41.283 3.191 -5.010 214 3HG2 VAL 31 2HG2 VAL 31 42.866 2.527 -5.425 215 H ILE 32 H ILE 32 43.207 3.277 -0.179 216 HA ILE 32 HA ILE 32 45.004 5.569 0.097 217 HB ILE 32 HB ILE 32 42.954 4.398 1.972 218 1HG1 ILE 32 2HG1 ILE 32 42.886 6.878 0.247 219 2HG1 ILE 32 1HG1 ILE 32 41.992 5.391 -0.053 220 1HG2 ILE 32 2HG2 ILE 32 44.784 5.560 3.152 221 2HG2 ILE 32 1HG2 ILE 32 44.468 7.002 2.184 222 3HG2 ILE 32 3HG2 ILE 32 43.241 6.405 3.303 223 1HD1 ILE 32 3HD1 ILE 32 41.129 5.841 2.425 224 2HD1 ILE 32 2HD1 ILE 32 41.527 7.507 1.995 225 3HD1 ILE 32 1HD1 ILE 32 40.361 6.599 1.028 226 H VAL 33 H VAL 33 44.490 2.323 1.421 227 HA VAL 33 HA VAL 33 46.801 2.539 3.161 228 HB VAL 33 HB VAL 33 44.662 0.498 2.647 229 1HG1 VAL 33 1HG1 VAL 33 47.157 0.097 4.282 230 2HG1 VAL 33 3HG1 VAL 33 45.719 -0.921 4.390 231 3HG1 VAL 33 2HG1 VAL 33 46.630 -0.835 2.880 232 1HG2 VAL 33 1HG2 VAL 33 45.526 2.116 5.038 233 2HG2 VAL 33 3HG2 VAL 33 44.017 2.244 4.132 234 3HG2 VAL 33 2HG2 VAL 33 44.336 0.815 5.119 235 H GLY 34 H GLY 34 45.835 0.993 0.143 236 1HA GLY 34 2HA GLY 34 48.015 -0.754 -0.176 237 2HA GLY 34 1HA GLY 34 47.049 -0.081 -1.491 238 H ALA 35 H ALA 35 47.593 2.649 -1.051 239 HA ALA 35 HA ALA 35 49.868 3.096 -2.568 240 1HB ALA 35 3HB ALA 35 47.955 4.707 -1.879 241 2HB ALA 35 2HB ALA 35 48.978 5.071 -0.487 242 3HB ALA 35 1HB ALA 35 49.572 5.373 -2.121 243 H THR 36 H THR 36 49.522 2.658 0.872 244 HA THR 36 HA THR 36 52.177 3.511 1.569 245 HB THR 36 HB THR 36 49.949 2.083 2.998 246 HG1 THR 36 HG1 THR 36 49.896 4.372 2.703 247 1HG2 THR 36 2HG2 THR 36 52.766 2.519 3.962 248 2HG2 THR 36 1HG2 THR 36 51.406 2.389 5.080 249 3HG2 THR 36 3HG2 THR 36 51.802 1.041 4.011 250 H ILE 37 H ILE 37 50.573 0.377 1.086 251 HA ILE 37 HA ILE 37 52.797 -1.249 1.717 252 HB ILE 37 HB ILE 37 50.498 -1.800 -0.152 253 1HG1 ILE 37 2HG1 ILE 37 50.846 -2.313 2.789 254 2HG1 ILE 37 1HG1 ILE 37 49.701 -1.205 2.046 255 1HG2 ILE 37 1HG2 ILE 37 52.504 -3.623 1.163 256 2HG2 ILE 37 3HG2 ILE 37 50.998 -4.190 0.439 257 3HG2 ILE 37 2HG2 ILE 37 52.217 -3.401 -0.564 258 1HD1 ILE 37 2HD1 ILE 37 49.158 -3.614 0.792 259 2HD1 ILE 37 1HD1 ILE 37 49.504 -4.091 2.456 260 3HD1 ILE 37 3HD1 ILE 37 48.234 -2.912 2.121 261 H GLY 38 H GLY 38 51.709 0.262 -1.271 262 1HA GLY 38 2HA GLY 38 53.376 -0.971 -3.128 263 2HA GLY 38 1HA GLY 38 52.789 0.687 -3.251 264 H ILE 39 H ILE 39 53.944 2.215 -1.691 265 HA ILE 39 HA ILE 39 56.598 2.482 -2.479 266 HB ILE 39 HB ILE 39 55.217 3.604 -0.044 267 1HG1 ILE 39 2HG1 ILE 39 55.646 5.377 -2.313 268 2HG1 ILE 39 1HG1 ILE 39 54.624 4.006 -2.724 269 1HG2 ILE 39 1HG2 ILE 39 57.834 4.165 -1.356 270 2HG2 ILE 39 3HG2 ILE 39 56.958 5.469 -0.552 271 3HG2 ILE 39 2HG2 ILE 39 57.442 4.037 0.360 272 1HD1 ILE 39 2HD1 ILE 39 53.658 4.807 -0.256 273 2HD1 ILE 39 1HD1 ILE 39 54.032 6.326 -1.070 274 3HD1 ILE 39 3HD1 ILE 39 52.931 5.170 -1.822 275 H LYS 40 H LYS 40 55.265 1.129 0.529 276 HA LYS 40 HA LYS 40 57.626 0.729 1.921 277 1HB LYS 40 2HB LYS 40 55.092 0.295 2.514 278 2HB LYS 40 1HB LYS 40 55.488 -1.342 2.012 279 1HG LYS 40 2HG LYS 40 56.191 -1.613 4.129 280 2HG LYS 40 1HG LYS 40 57.606 -0.692 3.628 281 1HD LYS 40 2HD LYS 40 55.145 0.748 4.532 282 2HD LYS 40 1HD LYS 40 56.221 0.046 5.738 283 1HE LYS 40 2HE LYS 40 56.778 2.242 3.748 284 2HE LYS 40 1HE LYS 40 56.991 2.262 5.497 285 1HZ LYS 40 1HZ LYS 40 58.656 0.324 4.899 286 2HZ LYS 40 3HZ LYS 40 58.735 1.176 3.435 287 3HZ LYS 40 2HZ LYS 40 59.121 1.957 4.892 288 H LEU 41 H LEU 41 56.145 -1.178 -0.642 289 HA LEU 41 HA LEU 41 57.852 -3.438 -0.447 290 1HB LEU 41 2HB LEU 41 56.017 -2.332 -2.527 291 2HB LEU 41 1HB LEU 41 57.128 -3.619 -2.975 292 HG LEU 41 HG LEU 41 55.095 -3.704 -0.741 293 1HD1 LEU 41 2HD1 LEU 41 55.053 -4.533 -3.562 294 2HD1 LEU 41 1HD1 LEU 41 54.454 -5.735 -2.417 295 3HD1 LEU 41 3HD1 LEU 41 53.724 -4.129 -2.474 296 1HD2 LEU 41 1HD2 LEU 41 57.407 -5.414 -1.349 297 2HD2 LEU 41 3HD2 LEU 41 56.479 -5.245 0.143 298 3HD2 LEU 41 2HD2 LEU 41 55.888 -6.289 -1.152 299 H PHE 42 H PHE 42 57.984 -0.497 -2.438 300 HA PHE 42 HA PHE 42 60.171 -1.091 -4.035 301 1HB PHE 42 2HB PHE 42 58.640 0.979 -4.025 302 2HB PHE 42 1HB PHE 42 59.760 1.632 -2.837 303 HD1 PHE 42 HD2 PHE 42 62.359 1.224 -3.620 304 HD2 PHE 42 HD1 PHE 42 58.968 1.670 -6.182 305 HE1 PHE 42 HE2 PHE 42 63.834 1.970 -5.446 306 HE2 PHE 42 HE1 PHE 42 60.448 2.415 -8.006 307 HZ PHE 42 HZ PHE 42 62.880 2.566 -7.639 308 H LYS 43 H LYS 43 60.152 0.457 -0.835 309 HA LYS 43 HA LYS 43 62.845 0.922 -0.506 310 1HB LYS 43 2HB LYS 43 60.716 0.160 1.465 311 2HB LYS 43 1HB LYS 43 62.343 0.647 1.949 312 1HG LYS 43 2HG LYS 43 61.210 2.442 -0.043 313 2HG LYS 43 1HG LYS 43 60.187 2.322 1.374 314 1HD LYS 43 2HD LYS 43 61.978 3.011 2.843 315 2HD LYS 43 1HD LYS 43 63.152 2.908 1.534 316 1HE LYS 43 2HE LYS 43 61.296 5.079 2.242 317 2HE LYS 43 1HE LYS 43 62.836 5.136 1.386 318 1HZ LYS 43 3HZ LYS 43 61.698 4.349 -0.609 319 2HZ LYS 43 2HZ LYS 43 60.217 4.344 0.224 320 3HZ LYS 43 1HZ LYS 43 61.036 5.808 -0.050 321 H LYS 44 H LYS 44 61.197 -2.133 -0.541 322 HA LYS 44 HA LYS 44 63.475 -3.489 0.684 323 1HB LYS 44 2HB LYS 44 61.548 -4.388 1.570 324 2HB LYS 44 1HB LYS 44 60.644 -4.224 0.081 325 1HG LYS 44 2HG LYS 44 61.112 -6.581 0.732 326 2HG LYS 44 1HG LYS 44 61.697 -6.141 -0.880 327 1HD LYS 44 2HD LYS 44 63.314 -7.559 0.664 328 2HD LYS 44 1HD LYS 44 63.975 -6.157 -0.179 329 1HE LYS 44 2HE LYS 44 64.800 -5.954 2.002 330 2HE LYS 44 1HE LYS 44 63.429 -4.855 1.995 331 1HZ LYS 44 1HZ LYS 44 62.327 -7.215 2.722 332 2HZ LYS 44 3HZ LYS 44 63.837 -7.262 3.493 333 3HZ LYS 44 2HZ LYS 44 62.776 -5.968 3.784 334 H PHE 45 H PHE 45 61.442 -4.399 -2.114 335 HA PHE 45 HA PHE 45 63.603 -5.707 -3.427 336 1HB PHE 45 2HB PHE 45 60.776 -5.067 -4.078 337 2HB PHE 45 1HB PHE 45 61.861 -5.381 -5.413 338 HD1 PHE 45 HD2 PHE 45 63.307 -7.543 -5.305 339 HD2 PHE 45 HD1 PHE 45 59.754 -6.923 -2.971 340 HE1 PHE 45 HE2 PHE 45 63.084 -9.967 -4.969 341 HE2 PHE 45 HE1 PHE 45 59.555 -9.349 -2.654 342 HZ PHE 45 HZ PHE 45 61.215 -10.872 -3.649 343 H THR 46 H THR 46 62.095 -2.548 -3.784 344 HA THR 46 HA THR 46 62.586 -0.768 -5.153 345 HB THR 46 HB THR 46 64.220 -0.377 -3.495 346 HG1 THR 46 HG1 THR 46 65.552 -0.320 -6.001 347 1HG2 THR 46 2HG2 THR 46 65.899 -2.473 -4.870 348 2HG2 THR 46 1HG2 THR 46 66.464 -1.431 -3.565 349 3HG2 THR 46 3HG2 THR 46 65.167 -2.590 -3.268 350 H SER 47 H SER 47 62.138 -3.037 -6.690 351 HA SER 47 HA SER 47 62.290 -3.676 -8.886 352 1HB SER 47 2HB SER 47 62.860 -1.078 -9.002 353 2HB SER 47 1HB SER 47 64.424 -1.709 -9.506 354 HG SER 47 HG SER 47 63.139 -1.487 -11.336 355 H LYS 48 H LYS 48 64.398 -4.395 -6.690 356 HA LYS 48 HA LYS 48 66.860 -4.942 -7.802 357 1HB LYS 48 2HB LYS 48 65.213 -6.342 -5.725 358 2HB LYS 48 1HB LYS 48 66.753 -7.021 -6.239 359 1HG LYS 48 2HG LYS 48 66.655 -4.140 -5.451 360 2HG LYS 48 1HG LYS 48 66.613 -5.363 -4.189 361 1HD LYS 48 2HD LYS 48 68.781 -5.900 -4.469 362 2HD LYS 48 1HD LYS 48 68.656 -5.866 -6.225 363 1HE LYS 48 2HE LYS 48 68.820 -3.393 -4.493 364 2HE LYS 48 1HE LYS 48 70.211 -4.149 -5.264 365 1HZ LYS 48 1HZ LYS 48 68.374 -3.861 -7.267 366 2HZ LYS 48 3HZ LYS 48 68.236 -2.424 -6.379 367 3HZ LYS 48 2HZ LYS 48 69.743 -2.890 -7.008 368 H ALA 49 H ALA 49 64.018 -7.076 -7.765 369 HA ALA 49 HA ALA 49 65.111 -8.453 -10.082 370 1HB ALA 49 1HB ALA 49 64.078 -9.498 -7.545 371 2HB ALA 49 3HB ALA 49 63.451 -10.305 -8.984 372 3HB ALA 49 2HB ALA 49 65.192 -10.236 -8.698 373 H SER 50 H SER 50 63.754 -6.456 -10.881 374 HA SER 50 HA SER 50 61.541 -7.430 -12.277 375 1HB SER 50 2HB SER 50 60.247 -7.522 -10.311 376 2HB SER 50 1HB SER 50 60.897 -6.000 -9.710 377 HG SER 50 HG SER 50 58.775 -5.763 -10.600 No H/Q in entry = 377 Start of MODEL 18 1 1H ALA 1 2H ALA 1 0.607 -2.536 23.772 2 2H ALA 1 1H ALA 1 0.278 -4.201 23.692 3 3H ALA 1 3H ALA 1 -0.356 -3.273 24.961 4 HA ALA 1 HA ALA 1 1.473 -3.422 26.177 5 1HB ALA 1 2HB ALA 1 2.138 -5.456 24.027 6 2HB ALA 1 1HB ALA 1 3.004 -5.325 25.560 7 3HB ALA 1 3HB ALA 1 1.291 -5.762 25.544 8 H GLU 2 H GLU 2 2.911 -3.864 22.945 9 HA GLU 2 HA GLU 2 5.337 -2.663 23.390 10 1HB GLU 2 2HB GLU 2 4.010 -3.682 21.198 11 2HB GLU 2 1HB GLU 2 4.251 -1.990 20.768 12 1HG GLU 2 2HG GLU 2 6.308 -2.637 20.113 13 2HG GLU 2 1HG GLU 2 6.691 -2.677 21.834 14 H GLY 3 H GLY 3 5.912 -0.694 23.994 15 1HA GLY 3 2HA GLY 3 4.172 1.576 23.334 16 2HA GLY 3 1HA GLY 3 5.037 1.443 24.855 17 H ASP 4 H ASP 4 6.612 0.354 22.001 18 HA ASP 4 HA ASP 4 8.771 2.191 22.314 19 1HB ASP 4 2HB ASP 4 8.476 -0.251 21.124 20 2HB ASP 4 1HB ASP 4 8.553 0.823 19.727 21 H ASP 5 H ASP 5 6.004 1.971 20.166 22 HA ASP 5 HA ASP 5 5.052 3.469 18.719 23 1HB ASP 5 2HB ASP 5 5.121 4.971 20.652 24 2HB ASP 5 1HB ASP 5 6.765 5.451 20.225 25 HA PRO 6 HA PRO 6 8.327 3.535 15.648 26 1HB PRO 6 2HB PRO 6 6.724 3.542 13.472 27 2HB PRO 6 1HB PRO 6 7.071 2.090 14.422 28 1HG PRO 6 2HG PRO 6 4.614 3.706 14.297 29 2HG PRO 6 1HG PRO 6 4.826 2.000 14.719 30 1HD PRO 6 2HD PRO 6 4.436 4.158 16.506 31 2HD PRO 6 1HD PRO 6 4.849 2.485 16.921 32 H ALA 7 H ALA 7 6.539 6.034 16.687 33 HA ALA 7 HA ALA 7 6.439 7.874 14.567 34 1HB ALA 7 2HB ALA 7 6.693 8.256 17.551 35 2HB ALA 7 1HB ALA 7 6.476 9.592 16.419 36 3HB ALA 7 3HB ALA 7 5.229 8.352 16.570 37 H LYS 8 H LYS 8 8.784 7.888 17.256 38 HA LYS 8 HA LYS 8 10.603 9.646 16.079 39 1HB LYS 8 2HB LYS 8 12.154 8.863 17.771 40 2HB LYS 8 1HB LYS 8 10.554 9.076 18.462 41 1HG LYS 8 2HG LYS 8 10.390 6.908 19.024 42 2HG LYS 8 1HG LYS 8 10.933 6.390 17.435 43 1HD LYS 8 2HD LYS 8 12.387 5.775 19.498 44 2HD LYS 8 1HD LYS 8 13.178 6.342 18.034 45 1HE LYS 8 2HE LYS 8 13.882 7.314 20.372 46 2HE LYS 8 1HE LYS 8 13.757 8.388 18.977 47 1HZ LYS 8 2HZ LYS 8 11.310 8.030 20.489 48 2HZ LYS 8 1HZ LYS 8 12.561 8.822 21.322 49 3HZ LYS 8 3HZ LYS 8 12.000 9.444 19.848 50 H ALA 9 H ALA 9 10.118 6.239 15.665 51 HA ALA 9 HA ALA 9 12.548 5.352 14.694 52 1HB ALA 9 3HB ALA 9 10.257 4.129 15.025 53 2HB ALA 9 2HB ALA 9 10.023 4.523 13.320 54 3HB ALA 9 1HB ALA 9 11.401 3.540 13.818 55 H ALA 10 H ALA 10 9.879 6.752 12.792 56 HA ALA 10 HA ALA 10 11.131 6.758 10.299 57 1HB ALA 10 1HB ALA 10 8.822 8.062 11.530 58 2HB ALA 10 3HB ALA 10 9.573 9.032 10.261 59 3HB ALA 10 2HB ALA 10 9.011 7.397 9.906 60 H PHE 11 H PHE 11 11.079 9.275 12.803 61 HA PHE 11 HA PHE 11 12.660 11.156 11.393 62 1HB PHE 11 2HB PHE 11 11.411 10.983 13.943 63 2HB PHE 11 1HB PHE 11 13.091 11.416 14.200 64 HD1 PHE 11 HD1 PHE 11 14.043 13.364 12.794 65 HD2 PHE 11 HD2 PHE 11 9.849 12.648 13.299 66 HE1 PHE 11 HE1 PHE 11 13.560 15.692 12.162 67 HE2 PHE 11 HE2 PHE 11 9.384 14.976 12.668 68 HZ PHE 11 HZ PHE 11 11.234 16.498 12.099 69 H ASN 12 H ASN 12 13.437 8.453 13.486 70 HA ASN 12 HA ASN 12 16.242 9.081 13.678 71 1HB ASN 12 2HB ASN 12 14.847 7.730 15.347 72 2HB ASN 12 1HB ASN 12 14.993 6.393 14.206 73 1HD2 ASN 12 2HD2 ASN 12 18.289 5.634 15.027 74 2HD2 ASN 12 1HD2 ASN 12 16.890 5.294 14.071 75 H SER 13 H SER 13 14.190 7.165 11.594 76 HA SER 13 HA SER 13 16.198 5.594 10.356 77 1HB SER 13 2HB SER 13 13.522 5.559 10.222 78 2HB SER 13 1HB SER 13 13.859 6.472 8.749 79 HG SER 13 HG SER 13 13.874 3.944 8.861 80 H LEU 14 H LEU 14 15.116 8.871 9.928 81 HA LEU 14 HA LEU 14 16.235 9.324 7.362 82 1HB LEU 14 2HB LEU 14 14.513 10.775 8.330 83 2HB LEU 14 1HB LEU 14 15.634 11.253 9.601 84 HG LEU 14 HG LEU 14 17.181 11.973 7.622 85 1HD1 LEU 14 3HD1 LEU 14 15.746 10.927 5.861 86 2HD1 LEU 14 2HD1 LEU 14 14.505 12.133 6.214 87 3HD1 LEU 14 1HD1 LEU 14 16.071 12.638 5.581 88 1HD2 LEU 14 2HD2 LEU 14 14.727 13.500 8.502 89 2HD2 LEU 14 1HD2 LEU 14 16.404 13.709 9.029 90 3HD2 LEU 14 3HD2 LEU 14 15.916 14.196 7.405 91 H GLN 15 H GLN 15 17.517 9.253 10.578 92 HA GLN 15 HA GLN 15 19.994 10.602 9.868 93 1HB GLN 15 2HB GLN 15 19.022 10.927 12.091 94 2HB GLN 15 1HB GLN 15 19.141 9.199 12.406 95 1HG GLN 15 2HG GLN 15 21.075 9.906 13.426 96 2HG GLN 15 1HG GLN 15 21.694 9.628 11.799 97 1HE2 GLN 15 2HD2 GLN 15 23.010 12.876 12.157 98 2HE2 GLN 15 1HD2 GLN 15 23.343 11.182 12.227 99 H ALA 16 H ALA 16 18.816 7.341 10.472 100 HA ALA 16 HA ALA 16 21.485 6.200 10.153 101 1HB ALA 16 3HB ALA 16 19.017 5.392 11.385 102 2HB ALA 16 2HB ALA 16 19.564 4.152 10.255 103 3HB ALA 16 1HB ALA 16 20.628 4.693 11.556 104 H SER 17 H SER 17 19.723 7.502 7.947 105 HA SER 17 HA SER 17 19.501 5.247 6.092 106 1HB SER 17 2HB SER 17 17.631 6.818 6.199 107 2HB SER 17 1HB SER 17 18.708 8.147 5.791 108 HG SER 17 HG SER 17 19.146 6.968 3.801 109 H ALA 18 H ALA 18 22.026 6.912 7.088 110 HA ALA 18 HA ALA 18 23.114 7.570 4.439 111 1HB ALA 18 1HB ALA 18 23.648 8.452 7.206 112 2HB ALA 18 3HB ALA 18 25.060 8.292 6.162 113 3HB ALA 18 2HB ALA 18 23.733 9.355 5.691 114 H THR 19 H THR 19 22.726 4.849 5.062 115 HA THR 19 HA THR 19 25.313 3.754 5.833 116 HB THR 19 HB THR 19 24.198 1.568 5.505 117 HG1 THR 19 HG1 THR 19 22.735 2.111 3.894 118 1HG2 THR 19 1HG2 THR 19 23.032 3.662 7.302 119 2HG2 THR 19 3HG2 THR 19 22.269 2.073 7.230 120 3HG2 THR 19 2HG2 THR 19 23.959 2.218 7.716 121 H GLU 20 H GLU 20 23.921 4.878 2.984 122 HA GLU 20 HA GLU 20 25.293 2.998 1.242 123 1HB GLU 20 2HB GLU 20 22.939 4.401 1.041 124 2HB GLU 20 1HB GLU 20 24.032 5.314 0.006 125 1HG GLU 20 2HG GLU 20 22.825 3.541 -1.223 126 2HG GLU 20 1HG GLU 20 24.573 3.317 -1.254 127 H TYR 21 H TYR 21 25.973 5.894 2.786 128 HA TYR 21 HA TYR 21 27.784 6.901 0.728 129 1HB TYR 21 2HB TYR 21 26.674 7.926 3.286 130 2HB TYR 21 1HB TYR 21 28.214 8.570 2.739 131 HD1 TYR 21 HD1 TYR 21 24.650 8.162 1.911 132 HD2 TYR 21 HD2 TYR 21 28.317 10.076 0.842 133 HE1 TYR 21 HE1 TYR 21 23.430 9.651 0.377 134 HE2 TYR 21 HE2 TYR 21 27.088 11.562 -0.687 135 HH TYR 21 HH TYR 21 24.188 11.021 -1.854 136 H ILE 22 H ILE 22 27.871 4.849 3.445 137 HA ILE 22 HA ILE 22 30.675 5.336 4.055 138 HB ILE 22 HB ILE 22 28.541 3.521 5.192 139 1HG1 ILE 22 2HG1 ILE 22 28.659 4.889 7.182 140 2HG1 ILE 22 1HG1 ILE 22 30.106 5.728 6.601 141 1HG2 ILE 22 3HG2 ILE 22 31.507 3.506 5.783 142 2HG2 ILE 22 2HG2 ILE 22 30.328 2.964 6.986 143 3HG2 ILE 22 1HG2 ILE 22 30.436 2.153 5.427 144 1HD1 ILE 22 2HD1 ILE 22 27.557 5.914 5.026 145 2HD1 ILE 22 1HD1 ILE 22 27.796 6.907 6.460 146 3HD1 ILE 22 3HD1 ILE 22 28.913 7.037 5.104 147 H GLY 23 H GLY 23 28.704 2.678 2.765 148 1HA GLY 23 2HA GLY 23 30.471 0.647 2.462 149 2HA GLY 23 1HA GLY 23 29.254 1.024 1.246 150 H TYR 24 H TYR 24 30.456 3.621 0.581 151 HA TYR 24 HA TYR 24 32.277 2.716 -1.427 152 1HB TYR 24 2HB TYR 24 31.452 5.473 -0.540 153 2HB TYR 24 1HB TYR 24 32.525 5.173 -1.897 154 HD1 TYR 24 HD2 TYR 24 31.666 3.810 -3.859 155 HD2 TYR 24 HD1 TYR 24 29.083 5.282 -0.781 156 HE1 TYR 24 HE2 TYR 24 29.715 3.489 -5.325 157 HE2 TYR 24 HE1 TYR 24 27.150 4.953 -2.253 158 HH TYR 24 HH TYR 24 27.503 4.102 -5.614 159 H ALA 25 H ALA 25 32.629 4.311 1.682 160 HA ALA 25 HA ALA 25 35.287 5.149 1.513 161 1HB ALA 25 1HB ALA 25 33.324 4.699 3.604 162 2HB ALA 25 3HB ALA 25 34.958 4.306 4.140 163 3HB ALA 25 2HB ALA 25 34.602 5.913 3.503 164 H TRP 26 H TRP 26 33.994 1.963 1.662 165 HA TRP 26 HA TRP 26 36.325 0.697 2.766 166 1HB TRP 26 2HB TRP 26 33.664 -0.092 1.865 167 2HB TRP 26 1HB TRP 26 34.909 -1.249 1.431 168 HD1 TRP 26 1HD TRP 26 32.631 -0.527 4.176 169 HE1 TRP 26 1HE TRP 26 33.425 -1.606 6.346 170 HE3 TRP 26 3HE TRP 26 37.426 -1.710 2.858 171 HZ2 TRP 26 2HZ TRP 26 35.741 -2.810 7.394 172 HZ3 TRP 26 3HZ TRP 26 38.885 -2.830 4.496 173 HH2 TRP 26 HH2 TRP 26 38.053 -3.376 6.745 174 H ALA 27 H ALA 27 34.898 0.942 -0.485 175 HA ALA 27 HA ALA 27 36.833 -0.551 -1.853 176 1HB ALA 27 3HB ALA 27 34.616 1.151 -2.526 177 2HB ALA 27 2HB ALA 27 35.985 1.514 -3.581 178 3HB ALA 27 1HB ALA 27 35.359 -0.134 -3.481 179 H MET 28 H MET 28 36.617 2.979 -1.420 180 HA MET 28 HA MET 28 38.953 3.706 -2.719 181 1HB MET 28 2HB MET 28 37.123 4.926 -0.816 182 2HB MET 28 1HB MET 28 38.778 5.416 -0.506 183 1HG MET 28 2HG MET 28 37.400 6.873 -2.108 184 2HG MET 28 1HG MET 28 39.010 6.415 -2.637 185 1HE MET 28 3HE MET 28 35.418 6.221 -2.767 186 2HE MET 28 2HE MET 28 35.404 6.656 -4.476 187 3HE MET 28 1HE MET 28 34.946 5.025 -3.985 188 H VAL 29 H VAL 29 38.476 2.432 0.514 189 HA VAL 29 HA VAL 29 40.970 2.952 1.636 190 HB VAL 29 HB VAL 29 38.658 1.413 2.232 191 1HG1 VAL 29 1HG1 VAL 29 39.912 -0.610 1.666 192 2HG1 VAL 29 3HG1 VAL 29 41.182 -0.141 2.798 193 3HG1 VAL 29 2HG1 VAL 29 39.565 -0.525 3.395 194 1HG2 VAL 29 2HG2 VAL 29 39.627 3.158 3.630 195 2HG2 VAL 29 1HG2 VAL 29 39.427 1.655 4.534 196 3HG2 VAL 29 3HG2 VAL 29 41.025 2.131 3.956 197 H VAL 30 H VAL 30 39.917 0.155 -0.287 198 HA VAL 30 HA VAL 30 42.285 -1.297 -0.290 199 HB VAL 30 HB VAL 30 40.194 -1.027 -2.444 200 1HG1 VAL 30 1HG1 VAL 30 42.406 -3.004 -2.005 201 2HG1 VAL 30 3HG1 VAL 30 40.979 -3.390 -2.967 202 3HG1 VAL 30 2HG1 VAL 30 42.038 -2.065 -3.452 203 1HG2 VAL 30 2HG2 VAL 30 40.393 -2.658 0.056 204 2HG2 VAL 30 1HG2 VAL 30 39.015 -1.767 -0.594 205 3HG2 VAL 30 3HG2 VAL 30 39.513 -3.288 -1.338 206 H VAL 31 H VAL 31 41.155 1.175 -2.591 207 HA VAL 31 HA VAL 31 43.326 1.106 -4.333 208 HB VAL 31 HB VAL 31 41.557 3.420 -3.571 209 1HG1 VAL 31 1HG1 VAL 31 43.341 2.977 -5.956 210 2HG1 VAL 31 3HG1 VAL 31 42.126 4.250 -5.843 211 3HG1 VAL 31 2HG1 VAL 31 43.491 4.233 -4.726 212 1HG2 VAL 31 1HG2 VAL 31 41.290 1.208 -5.599 213 2HG2 VAL 31 3HG2 VAL 31 40.153 1.679 -4.333 214 3HG2 VAL 31 2HG2 VAL 31 40.395 2.723 -5.736 215 H ILE 32 H ILE 32 43.110 2.291 -1.138 216 HA ILE 32 HA ILE 32 45.482 3.985 -1.417 217 HB ILE 32 HB ILE 32 43.631 3.488 0.912 218 1HG1 ILE 32 2HG1 ILE 32 43.976 5.905 -0.868 219 2HG1 ILE 32 1HG1 ILE 32 42.647 4.752 -0.961 220 1HG2 ILE 32 2HG2 ILE 32 46.231 4.854 0.717 221 2HG2 ILE 32 1HG2 ILE 32 44.956 5.776 1.516 222 3HG2 ILE 32 3HG2 ILE 32 45.403 4.180 2.122 223 1HD1 ILE 32 1HD1 ILE 32 42.069 5.316 1.405 224 2HD1 ILE 32 3HD1 ILE 32 43.312 6.569 1.364 225 3HD1 ILE 32 2HD1 ILE 32 41.911 6.681 0.297 226 H VAL 33 H VAL 33 44.359 1.111 0.354 227 HA VAL 33 HA VAL 33 46.726 0.609 1.771 228 HB VAL 33 HB VAL 33 44.540 -1.233 0.818 229 1HG1 VAL 33 2HG1 VAL 33 47.026 -1.787 2.121 230 2HG1 VAL 33 1HG1 VAL 33 45.678 -2.188 3.187 231 3HG1 VAL 33 3HG1 VAL 33 45.773 -2.903 1.577 232 1HG2 VAL 33 1HG2 VAL 33 44.333 0.850 2.565 233 2HG2 VAL 33 3HG2 VAL 33 43.306 -0.584 2.583 234 3HG2 VAL 33 2HG2 VAL 33 44.707 -0.490 3.651 235 H GLY 34 H GLY 34 45.748 -0.038 -1.508 236 1HA GLY 34 2HA GLY 34 47.754 -2.014 -2.080 237 2HA GLY 34 1HA GLY 34 46.763 -1.155 -3.261 238 H ALA 35 H ALA 35 47.378 1.428 -2.964 239 HA ALA 35 HA ALA 35 49.730 1.842 -4.337 240 1HB ALA 35 3HB ALA 35 47.856 3.498 -2.833 241 2HB ALA 35 2HB ALA 35 49.502 4.134 -2.804 242 3HB ALA 35 1HB ALA 35 48.696 3.840 -4.347 243 H THR 36 H THR 36 49.223 1.395 -0.929 244 HA THR 36 HA THR 36 51.738 2.288 0.030 245 HB THR 36 HB THR 36 49.690 0.347 1.097 246 HG1 THR 36 HG1 THR 36 49.242 2.110 2.473 247 1HG2 THR 36 1HG2 THR 36 52.333 1.164 2.226 248 2HG2 THR 36 3HG2 THR 36 50.970 0.892 3.316 249 3HG2 THR 36 2HG2 THR 36 51.530 -0.409 2.262 250 H ILE 37 H ILE 37 50.499 -0.911 -0.889 251 HA ILE 37 HA ILE 37 52.742 -2.457 -0.334 252 HB ILE 37 HB ILE 37 50.743 -2.737 -2.571 253 1HG1 ILE 37 2HG1 ILE 37 49.618 -2.589 -0.456 254 2HG1 ILE 37 1HG1 ILE 37 49.610 -4.269 -0.976 255 1HG2 ILE 37 3HG2 ILE 37 52.642 -4.726 -1.338 256 2HG2 ILE 37 2HG2 ILE 37 51.281 -5.167 -2.374 257 3HG2 ILE 37 1HG2 ILE 37 52.596 -4.180 -3.015 258 1HD1 ILE 37 2HD1 ILE 37 51.944 -4.094 0.486 259 2HD1 ILE 37 1HD1 ILE 37 50.828 -3.063 1.385 260 3HD1 ILE 37 3HD1 ILE 37 50.411 -4.749 1.068 261 H GLY 38 H GLY 38 52.241 -0.114 -2.822 262 1HA GLY 38 2HA GLY 38 54.360 -1.117 -4.541 263 2HA GLY 38 1HA GLY 38 53.400 0.340 -4.795 264 H ILE 39 H ILE 39 54.014 1.077 -1.894 265 HA ILE 39 HA ILE 39 56.542 2.428 -2.502 266 HB ILE 39 HB ILE 39 55.119 2.877 0.069 267 1HG1 ILE 39 2HG1 ILE 39 53.227 2.916 -1.377 268 2HG1 ILE 39 1HG1 ILE 39 53.667 4.571 -1.032 269 1HG2 ILE 39 3HG2 ILE 39 57.269 4.021 -0.871 270 2HG2 ILE 39 2HG2 ILE 39 56.107 4.985 -1.786 271 3HG2 ILE 39 1HG2 ILE 39 56.048 4.975 -0.025 272 1HD1 ILE 39 3HD1 ILE 39 54.936 4.584 -3.222 273 2HD1 ILE 39 2HD1 ILE 39 54.146 3.048 -3.587 274 3HD1 ILE 39 1HD1 ILE 39 53.180 4.502 -3.350 275 H LYS 40 H LYS 40 55.114 0.128 -0.308 276 HA LYS 40 HA LYS 40 57.192 -0.124 1.550 277 1HB LYS 40 2HB LYS 40 54.750 -1.172 1.369 278 2HB LYS 40 1HB LYS 40 55.665 -2.529 0.725 279 1HG LYS 40 2HG LYS 40 55.883 -3.095 2.899 280 2HG LYS 40 1HG LYS 40 57.155 -1.877 2.901 281 1HD LYS 40 2HD LYS 40 54.297 -1.128 3.429 282 2HD LYS 40 1HD LYS 40 55.307 -1.762 4.725 283 1HE LYS 40 2HE LYS 40 55.692 0.775 3.123 284 2HE LYS 40 1HE LYS 40 55.464 0.615 4.864 285 1HZ LYS 40 2HZ LYS 40 57.655 -0.865 4.480 286 2HZ LYS 40 1HZ LYS 40 57.867 0.330 3.293 287 3HZ LYS 40 3HZ LYS 40 57.671 0.777 4.916 288 H LEU 41 H LEU 41 56.551 -1.806 -1.490 289 HA LEU 41 HA LEU 41 58.681 -3.608 -1.469 290 1HB LEU 41 2HB LEU 41 57.027 -2.311 -3.585 291 2HB LEU 41 1HB LEU 41 58.455 -3.210 -4.075 292 HG LEU 41 HG LEU 41 56.355 -4.361 -2.244 293 1HD1 LEU 41 1HD1 LEU 41 56.361 -4.110 -5.209 294 2HD1 LEU 41 3HD1 LEU 41 55.763 -5.613 -4.500 295 3HD1 LEU 41 2HD1 LEU 41 55.012 -4.074 -4.072 296 1HD2 LEU 41 1HD2 LEU 41 58.743 -5.356 -2.530 297 2HD2 LEU 41 3HD2 LEU 41 57.346 -6.430 -2.600 298 3HD2 LEU 41 2HD2 LEU 41 58.135 -5.914 -4.091 299 H PHE 42 H PHE 42 58.607 -0.191 -2.028 300 HA PHE 42 HA PHE 42 61.244 -0.088 -3.240 301 1HB PHE 42 2HB PHE 42 59.277 1.452 -3.773 302 2HB PHE 42 1HB PHE 42 59.623 2.239 -2.239 303 HD1 PHE 42 HD1 PHE 42 61.038 1.400 -5.559 304 HD2 PHE 42 HD2 PHE 42 61.390 3.792 -2.039 305 HE1 PHE 42 HE1 PHE 42 62.757 2.778 -6.665 306 HE2 PHE 42 HE2 PHE 42 63.109 5.167 -3.146 307 HZ PHE 42 HZ PHE 42 63.792 4.662 -5.458 308 H LYS 43 H LYS 43 59.726 0.662 -0.132 309 HA LYS 43 HA LYS 43 62.007 1.861 1.052 310 1HB LYS 43 2HB LYS 43 59.521 0.608 2.173 311 2HB LYS 43 1HB LYS 43 60.787 1.244 3.220 312 1HG LYS 43 2HG LYS 43 59.780 2.997 1.015 313 2HG LYS 43 1HG LYS 43 58.731 2.751 2.401 314 1HD LYS 43 2HD LYS 43 59.998 4.020 3.776 315 2HD LYS 43 1HD LYS 43 61.515 3.439 3.103 316 1HE LYS 43 2HE LYS 43 60.671 5.946 2.765 317 2HE LYS 43 1HE LYS 43 61.618 5.109 1.539 318 1HZ LYS 43 3HZ LYS 43 58.688 4.887 1.483 319 2HZ LYS 43 2HZ LYS 43 59.415 6.318 0.924 320 3HZ LYS 43 1HZ LYS 43 59.798 4.828 0.202 321 H LYS 44 H LYS 44 60.665 -1.420 1.242 322 HA LYS 44 HA LYS 44 62.309 -2.627 3.043 323 1HB LYS 44 2HB LYS 44 60.443 -3.696 1.786 324 2HB LYS 44 1HB LYS 44 61.498 -3.847 0.401 325 1HG LYS 44 2HG LYS 44 62.234 -5.005 3.091 326 2HG LYS 44 1HG LYS 44 61.217 -5.887 1.949 327 1HD LYS 44 2HD LYS 44 64.107 -5.027 1.569 328 2HD LYS 44 1HD LYS 44 63.483 -6.681 1.521 329 1HE LYS 44 2HE LYS 44 63.045 -4.481 -0.520 330 2HE LYS 44 1HE LYS 44 63.931 -5.984 -0.740 331 1HZ LYS 44 3HZ LYS 44 61.681 -7.055 -0.130 332 2HZ LYS 44 2HZ LYS 44 61.027 -5.546 -0.552 333 3HZ LYS 44 1HZ LYS 44 61.908 -6.443 -1.694 334 H PHE 45 H PHE 45 63.031 -2.269 -0.430 335 HA PHE 45 HA PHE 45 65.656 -3.359 -0.236 336 1HB PHE 45 2HB PHE 45 64.069 -1.906 -2.294 337 2HB PHE 45 1HB PHE 45 65.808 -1.927 -2.472 338 HD1 PHE 45 HD1 PHE 45 67.009 -4.204 -2.502 339 HD2 PHE 45 HD2 PHE 45 62.760 -3.793 -2.956 340 HE1 PHE 45 HE1 PHE 45 66.882 -6.450 -3.484 341 HE2 PHE 45 HE2 PHE 45 62.661 -6.041 -3.935 342 HZ PHE 45 HZ PHE 45 64.715 -7.371 -4.201 343 H THR 46 H THR 46 64.344 -0.082 -0.193 344 HA THR 46 HA THR 46 66.988 1.086 0.084 345 HB THR 46 HB THR 46 65.785 3.196 -0.011 346 HG1 THR 46 HG1 THR 46 63.685 3.315 0.272 347 1HG2 THR 46 2HG2 THR 46 66.218 1.626 -2.076 348 2HG2 THR 46 1HG2 THR 46 64.456 1.556 -2.117 349 3HG2 THR 46 3HG2 THR 46 65.279 3.111 -2.258 350 H SER 47 H SER 47 66.875 -0.453 2.125 351 HA SER 47 HA SER 47 66.721 1.294 4.412 352 1HB SER 47 2HB SER 47 64.972 0.352 5.579 353 2HB SER 47 1HB SER 47 64.353 0.271 3.934 354 HG SER 47 HG SER 47 64.763 -1.735 5.630 355 H LYS 48 H LYS 48 66.815 -2.157 3.514 356 HA LYS 48 HA LYS 48 68.393 -3.015 5.644 357 1HB LYS 48 2HB LYS 48 68.222 -4.226 2.907 358 2HB LYS 48 1HB LYS 48 68.741 -5.018 4.388 359 1HG LYS 48 2HG LYS 48 66.379 -4.454 5.281 360 2HG LYS 48 1HG LYS 48 65.971 -4.108 3.603 361 1HD LYS 48 2HD LYS 48 66.933 -6.732 4.746 362 2HD LYS 48 1HD LYS 48 65.340 -6.379 4.081 363 1HE LYS 48 2HE LYS 48 66.194 -7.286 2.194 364 2HE LYS 48 1HE LYS 48 66.926 -5.698 1.983 365 1HZ LYS 48 1HZ LYS 48 68.627 -7.081 3.642 366 2HZ LYS 48 3HZ LYS 48 68.171 -8.207 2.457 367 3HZ LYS 48 2HZ LYS 48 68.869 -6.728 1.997 368 H ALA 49 H ALA 49 69.857 -1.138 5.447 369 HA ALA 49 HA ALA 49 72.361 -2.030 4.603 370 1HB ALA 49 3HB ALA 49 70.959 -0.050 2.850 371 2HB ALA 49 2HB ALA 49 72.718 -0.002 3.004 372 3HB ALA 49 1HB ALA 49 71.923 -1.455 2.392 373 H SER 50 H SER 50 74.022 -0.856 5.538 374 HA SER 50 HA SER 50 73.964 1.784 6.413 375 1HB SER 50 2HB SER 50 72.212 0.281 7.936 376 2HB SER 50 1HB SER 50 73.671 0.326 8.919 377 HG SER 50 HG SER 50 72.382 2.594 7.759 No H/Q in entry = 377 Start of MODEL 19 1 1H ALA 1 3H ALA 1 2.092 1.001 -3.993 2 2H ALA 1 2H ALA 1 1.136 -0.403 -4.038 3 3H ALA 1 1H ALA 1 2.375 -0.253 -2.886 4 HA ALA 1 HA ALA 1 4.056 -0.359 -4.534 5 1HB ALA 1 1HB ALA 1 1.938 -2.478 -5.022 6 2HB ALA 1 3HB ALA 1 3.637 -2.616 -5.481 7 3HB ALA 1 2HB ALA 1 3.185 -2.536 -3.773 8 H GLU 2 H GLU 2 0.859 -0.706 -6.082 9 HA GLU 2 HA GLU 2 1.586 -0.545 -8.727 10 1HB GLU 2 2HB GLU 2 -0.833 0.797 -7.520 11 2HB GLU 2 1HB GLU 2 -0.647 0.244 -9.183 12 1HG GLU 2 2HG GLU 2 -0.194 -2.082 -8.044 13 2HG GLU 2 1HG GLU 2 -1.058 -1.356 -6.688 14 H GLY 3 H GLY 3 1.573 1.211 -10.253 15 1HA GLY 3 2HA GLY 3 2.380 3.220 -11.027 16 2HA GLY 3 1HA GLY 3 1.468 3.929 -9.695 17 H ASP 4 H ASP 4 3.608 5.306 -10.233 18 HA ASP 4 HA ASP 4 6.010 4.384 -8.960 19 1HB ASP 4 2HB ASP 4 5.528 6.279 -10.810 20 2HB ASP 4 1HB ASP 4 5.599 7.284 -9.362 21 H ASP 5 H ASP 5 3.727 6.987 -8.194 22 HA ASP 5 HA ASP 5 3.114 7.965 -6.211 23 1HB ASP 5 2HB ASP 5 2.418 5.593 -5.772 24 2HB ASP 5 1HB ASP 5 3.971 5.347 -4.970 25 HA PRO 6 HA PRO 6 7.332 9.114 -4.982 26 1HB PRO 6 2HB PRO 6 6.938 11.788 -5.060 27 2HB PRO 6 1HB PRO 6 7.318 10.818 -6.491 28 1HG PRO 6 2HG PRO 6 4.784 12.074 -5.705 29 2HG PRO 6 1HG PRO 6 5.348 11.571 -7.305 30 1HD PRO 6 2HD PRO 6 3.522 10.203 -5.597 31 2HD PRO 6 1HD PRO 6 4.158 9.663 -7.162 32 H ALA 7 H ALA 7 4.511 8.996 -3.376 33 HA ALA 7 HA ALA 7 5.046 10.823 -1.207 34 1HB ALA 7 3HB ALA 7 2.744 10.089 -1.964 35 2HB ALA 7 2HB ALA 7 3.091 8.524 -1.225 36 3HB ALA 7 1HB ALA 7 3.043 9.980 -0.228 37 H LYS 8 H LYS 8 4.618 7.285 -1.225 38 HA LYS 8 HA LYS 8 6.003 6.891 1.218 39 1HB LYS 8 2HB LYS 8 5.746 4.554 0.745 40 2HB LYS 8 1HB LYS 8 4.265 5.373 0.273 41 1HG LYS 8 2HG LYS 8 5.125 5.418 -2.090 42 2HG LYS 8 1HG LYS 8 6.502 4.460 -1.551 43 1HD LYS 8 2HD LYS 8 4.470 3.235 -2.614 44 2HD LYS 8 1HD LYS 8 5.229 2.553 -1.183 45 1HE LYS 8 2HE LYS 8 2.705 2.555 -1.157 46 2HE LYS 8 1HE LYS 8 3.454 3.331 0.235 47 1HZ LYS 8 3HZ LYS 8 3.179 5.427 -1.343 48 2HZ LYS 8 2HZ LYS 8 1.901 4.490 -1.947 49 3HZ LYS 8 1HZ LYS 8 1.946 4.909 -0.303 50 H ALA 9 H ALA 9 6.944 6.965 -2.135 51 HA ALA 9 HA ALA 9 9.308 5.592 -2.235 52 1HB ALA 9 2HB ALA 9 8.115 7.803 -3.681 53 2HB ALA 9 1HB ALA 9 9.872 7.947 -3.613 54 3HB ALA 9 3HB ALA 9 9.132 6.490 -4.277 55 H ALA 10 H ALA 10 9.205 9.105 -1.593 56 HA ALA 10 HA ALA 10 11.812 9.481 -0.801 57 1HB ALA 10 3HB ALA 10 9.951 11.216 -1.077 58 2HB ALA 10 2HB ALA 10 9.518 10.848 0.594 59 3HB ALA 10 1HB ALA 10 11.117 11.496 0.218 60 H PHE 11 H PHE 11 9.106 8.297 1.132 61 HA PHE 11 HA PHE 11 10.477 8.266 3.625 62 1HB PHE 11 2HB PHE 11 7.945 8.132 3.133 63 2HB PHE 11 1HB PHE 11 8.228 6.414 2.909 64 HD1 PHE 11 HD1 PHE 11 9.606 5.246 4.831 65 HD2 PHE 11 HD2 PHE 11 7.393 8.883 5.306 66 HE1 PHE 11 HE1 PHE 11 9.499 4.874 7.261 67 HE2 PHE 11 HE2 PHE 11 7.295 8.495 7.730 68 HZ PHE 11 HZ PHE 11 8.345 6.496 8.710 69 H ASN 12 H ASN 12 10.062 5.928 1.025 70 HA ASN 12 HA ASN 12 11.338 3.770 2.441 71 1HB ASN 12 2HB ASN 12 9.645 3.391 0.676 72 2HB ASN 12 1HB ASN 12 10.763 4.064 -0.512 73 1HD2 ASN 12 2HD2 ASN 12 11.553 0.642 -0.983 74 2HD2 ASN 12 1HD2 ASN 12 10.574 1.951 -1.540 75 H SER 13 H SER 13 12.276 5.926 -0.231 76 HA SER 13 HA SER 13 14.880 4.907 -0.587 77 1HB SER 13 2HB SER 13 14.584 7.773 -1.102 78 2HB SER 13 1HB SER 13 15.013 6.463 -2.203 79 HG SER 13 HG SER 13 12.984 6.292 -2.792 80 H LEU 14 H LEU 14 13.539 7.224 1.654 81 HA LEU 14 HA LEU 14 15.790 8.574 2.523 82 1HB LEU 14 2HB LEU 14 13.544 9.165 3.251 83 2HB LEU 14 1HB LEU 14 13.368 7.636 4.069 84 HG LEU 14 HG LEU 14 13.934 9.754 5.435 85 1HD1 LEU 14 3HD1 LEU 14 13.741 7.501 6.374 86 2HD1 LEU 14 2HD1 LEU 14 15.431 7.195 5.965 87 3HD1 LEU 14 1HD1 LEU 14 15.022 8.428 7.154 88 1HD2 LEU 14 3HD2 LEU 14 16.068 10.287 4.071 89 2HD2 LEU 14 2HD2 LEU 14 16.180 10.348 5.824 90 3HD2 LEU 14 1HD2 LEU 14 16.797 8.950 4.962 91 H GLN 15 H GLN 15 14.618 5.370 3.452 92 HA GLN 15 HA GLN 15 16.603 4.917 5.455 93 1HB GLN 15 2HB GLN 15 14.420 3.762 5.407 94 2HB GLN 15 1HB GLN 15 14.923 2.915 3.947 95 1HG GLN 15 2HG GLN 15 15.254 1.507 5.920 96 2HG GLN 15 1HG GLN 15 16.802 1.918 5.184 97 1HE2 GLN 15 2HD2 GLN 15 17.583 2.549 8.605 98 2HE2 GLN 15 1HD2 GLN 15 17.543 1.313 7.398 99 H ALA 16 H ALA 16 16.348 4.188 2.013 100 HA ALA 16 HA ALA 16 18.997 2.895 2.099 101 1HB ALA 16 2HB ALA 16 17.176 1.598 1.081 102 2HB ALA 16 1HB ALA 16 16.916 2.896 -0.086 103 3HB ALA 16 3HB ALA 16 18.432 1.992 -0.096 104 H SER 17 H SER 17 18.400 5.840 2.137 105 HA SER 17 HA SER 17 19.791 6.606 -0.355 106 1HB SER 17 2HB SER 17 17.744 7.758 -0.319 107 2HB SER 17 1HB SER 17 17.855 8.076 1.407 108 HG SER 17 HG SER 17 18.473 9.962 0.460 109 H ALA 18 H ALA 18 19.704 7.045 3.149 110 HA ALA 18 HA ALA 18 21.964 8.801 3.249 111 1HB ALA 18 1HB ALA 18 20.005 8.307 4.981 112 2HB ALA 18 3HB ALA 18 21.196 7.170 5.614 113 3HB ALA 18 2HB ALA 18 21.587 8.887 5.504 114 H THR 19 H THR 19 21.559 5.367 3.106 115 HA THR 19 HA THR 19 24.347 4.919 3.937 116 HB THR 19 HB THR 19 23.799 2.611 4.143 117 HG1 THR 19 HG1 THR 19 22.145 1.709 3.147 118 1HG2 THR 19 3HG2 THR 19 22.783 4.362 5.829 119 2HG2 THR 19 2HG2 THR 19 21.249 3.821 5.145 120 3HG2 THR 19 1HG2 THR 19 22.323 2.662 5.928 121 H GLU 20 H GLU 20 23.449 6.121 1.342 122 HA GLU 20 HA GLU 20 24.134 4.103 -0.621 123 1HB GLU 20 2HB GLU 20 22.626 6.457 -0.638 124 2HB GLU 20 1HB GLU 20 24.027 6.796 -1.649 125 1HG GLU 20 2HG GLU 20 22.110 5.852 -2.922 126 2HG GLU 20 1HG GLU 20 23.564 4.862 -3.027 127 H TYR 21 H TYR 21 25.794 6.315 1.300 128 HA TYR 21 HA TYR 21 28.085 6.410 -0.552 129 1HB TYR 21 2HB TYR 21 27.318 8.135 1.790 130 2HB TYR 21 1HB TYR 21 28.901 8.203 1.035 131 HD1 TYR 21 HD1 TYR 21 29.082 8.874 -1.380 132 HD2 TYR 21 HD2 TYR 21 25.430 9.197 0.814 133 HE1 TYR 21 HE1 TYR 21 28.195 10.429 -3.072 134 HE2 TYR 21 HE2 TYR 21 24.553 10.750 -0.882 135 HH TYR 21 HH TYR 21 24.872 11.482 -3.050 136 H ILE 22 H ILE 22 26.978 5.046 2.403 137 HA ILE 22 HA ILE 22 29.677 4.486 3.375 138 HB ILE 22 HB ILE 22 27.001 3.641 4.467 139 1HG1 ILE 22 2HG1 ILE 22 28.682 6.103 5.140 140 2HG1 ILE 22 1HG1 ILE 22 26.988 6.041 4.635 141 1HG2 ILE 22 3HG2 ILE 22 28.795 2.196 5.230 142 2HG2 ILE 22 2HG2 ILE 22 29.747 3.585 5.756 143 3HG2 ILE 22 1HG2 ILE 22 28.232 3.194 6.572 144 1HD1 ILE 22 2HD1 ILE 22 27.994 4.861 7.231 145 2HD1 ILE 22 1HD1 ILE 22 27.336 6.491 7.075 146 3HD1 ILE 22 3HD1 ILE 22 26.316 5.091 6.733 147 H GLY 23 H GLY 23 30.193 3.243 1.499 148 1HA GLY 23 2HA GLY 23 30.227 0.501 1.883 149 2HA GLY 23 1HA GLY 23 28.867 0.822 0.808 150 H TYR 24 H TYR 24 29.751 2.829 -0.765 151 HA TYR 24 HA TYR 24 31.617 1.483 -2.503 152 1HB TYR 24 2HB TYR 24 30.507 4.262 -2.820 153 2HB TYR 24 1HB TYR 24 31.127 3.201 -4.074 154 HD1 TYR 24 HD1 TYR 24 29.874 1.002 -4.506 155 HD2 TYR 24 HD2 TYR 24 28.187 4.247 -2.276 156 HE1 TYR 24 HE1 TYR 24 27.614 0.100 -4.880 157 HE2 TYR 24 HE2 TYR 24 25.941 3.328 -2.661 158 HH TYR 24 HH TYR 24 24.881 1.203 -3.187 159 H ALA 25 H ALA 25 31.754 3.989 -0.120 160 HA ALA 25 HA ALA 25 34.184 5.215 -1.016 161 1HB ALA 25 3HB ALA 25 32.417 6.228 0.525 162 2HB ALA 25 2HB ALA 25 33.127 5.240 1.805 163 3HB ALA 25 1HB ALA 25 34.103 6.465 0.990 164 H TRP 26 H TRP 26 33.391 2.411 0.853 165 HA TRP 26 HA TRP 26 35.865 2.144 2.244 166 1HB TRP 26 2HB TRP 26 33.404 0.657 1.984 167 2HB TRP 26 1HB TRP 26 34.789 -0.416 1.870 168 HD1 TRP 26 1HD TRP 26 32.881 1.761 4.350 169 HE1 TRP 26 1HE TRP 26 33.850 1.374 6.679 170 HE3 TRP 26 3HE TRP 26 37.021 -1.009 3.153 171 HZ2 TRP 26 2HZ TRP 26 36.036 0.098 7.886 172 HZ3 TRP 26 3HZ TRP 26 38.512 -1.782 4.953 173 HH2 TRP 26 HH2 TRP 26 38.026 -1.235 7.300 174 H ALA 27 H ALA 27 34.630 0.942 -0.838 175 HA ALA 27 HA ALA 27 36.649 -0.840 -1.523 176 1HB ALA 27 3HB ALA 27 34.420 0.094 -2.760 177 2HB ALA 27 2HB ALA 27 35.679 0.879 -3.715 178 3HB ALA 27 1HB ALA 27 35.657 -0.880 -3.558 179 H MET 28 H MET 28 36.500 2.678 -2.054 180 HA MET 28 HA MET 28 38.881 2.970 -3.439 181 1HB MET 28 2HB MET 28 37.163 4.711 -3.220 182 2HB MET 28 1HB MET 28 37.521 4.851 -1.515 183 1HG MET 28 2HG MET 28 39.994 5.254 -2.636 184 2HG MET 28 1HG MET 28 38.924 6.023 -3.800 185 1HE MET 28 1HE MET 28 39.620 5.407 -0.223 186 2HE MET 28 3HE MET 28 39.819 7.014 0.492 187 3HE MET 28 2HE MET 28 38.225 6.265 0.427 188 H VAL 29 H VAL 29 38.209 3.120 0.040 189 HA VAL 29 HA VAL 29 40.747 3.775 0.975 190 HB VAL 29 HB VAL 29 38.602 2.052 2.207 191 1HG1 VAL 29 2HG1 VAL 29 41.039 3.309 3.463 192 2HG1 VAL 29 1HG1 VAL 29 39.698 2.598 4.363 193 3HG1 VAL 29 3HG1 VAL 29 40.691 1.585 3.315 194 1HG2 VAL 29 2HG2 VAL 29 38.450 4.681 1.571 195 2HG2 VAL 29 1HG2 VAL 29 37.597 3.941 2.928 196 3HG2 VAL 29 3HG2 VAL 29 39.127 4.776 3.198 197 H VAL 30 H VAL 30 39.357 0.646 0.109 198 HA VAL 30 HA VAL 30 41.484 -0.972 0.997 199 HB VAL 30 HB VAL 30 39.478 -1.396 -1.214 200 1HG1 VAL 30 2HG1 VAL 30 41.423 -2.885 -1.366 201 2HG1 VAL 30 1HG1 VAL 30 41.134 -3.410 0.294 202 3HG1 VAL 30 3HG1 VAL 30 39.944 -3.758 -0.961 203 1HG2 VAL 30 2HG2 VAL 30 38.852 -0.991 1.352 204 2HG2 VAL 30 1HG2 VAL 30 37.976 -2.130 0.327 205 3HG2 VAL 30 3HG2 VAL 30 39.225 -2.715 1.429 206 H VAL 31 H VAL 31 40.983 0.983 -1.839 207 HA VAL 31 HA VAL 31 43.074 -0.223 -3.390 208 HB VAL 31 HB VAL 31 41.499 2.323 -3.707 209 1HG1 VAL 31 1HG1 VAL 31 43.903 1.518 -4.996 210 2HG1 VAL 31 3HG1 VAL 31 42.587 1.443 -6.168 211 3HG1 VAL 31 2HG1 VAL 31 42.910 2.945 -5.298 212 1HG2 VAL 31 1HG2 VAL 31 40.318 0.079 -3.880 213 2HG2 VAL 31 3HG2 VAL 31 40.177 1.141 -5.282 214 3HG2 VAL 31 2HG2 VAL 31 41.301 -0.220 -5.315 215 H ILE 32 H ILE 32 42.769 2.331 -1.091 216 HA ILE 32 HA ILE 32 45.242 3.644 -1.729 217 HB ILE 32 HB ILE 32 43.510 3.766 0.739 218 1HG1 ILE 32 2HG1 ILE 32 43.746 5.571 -1.676 219 2HG1 ILE 32 1HG1 ILE 32 42.362 4.575 -1.237 220 1HG2 ILE 32 3HG2 ILE 32 45.878 4.400 1.155 221 2HG2 ILE 32 2HG2 ILE 32 45.734 5.632 -0.101 222 3HG2 ILE 32 1HG2 ILE 32 44.751 5.742 1.361 223 1HD1 ILE 32 2HD1 ILE 32 43.275 6.490 0.833 224 2HD1 ILE 32 1HD1 ILE 32 42.561 7.198 -0.615 225 3HD1 ILE 32 3HD1 ILE 32 41.639 6.045 0.349 226 H VAL 33 H VAL 33 44.308 0.880 0.113 227 HA VAL 33 HA VAL 33 46.496 0.762 1.905 228 HB VAL 33 HB VAL 33 44.480 -1.194 0.838 229 1HG1 VAL 33 1HG1 VAL 33 46.693 -1.791 2.790 230 2HG1 VAL 33 3HG1 VAL 33 45.299 -2.830 2.491 231 3HG1 VAL 33 2HG1 VAL 33 46.455 -2.511 1.198 232 1HG2 VAL 33 1HG2 VAL 33 43.827 0.557 2.497 233 2HG2 VAL 33 3HG2 VAL 33 43.559 -1.099 3.043 234 3HG2 VAL 33 2HG2 VAL 33 44.947 -0.188 3.641 235 H GLY 34 H GLY 34 45.806 -1.024 -1.115 236 1HA GLY 34 2HA GLY 34 48.173 -2.407 -1.411 237 2HA GLY 34 1HA GLY 34 47.218 -1.805 -2.766 238 H ALA 35 H ALA 35 47.583 0.996 -1.817 239 HA ALA 35 HA ALA 35 49.867 1.661 -3.354 240 1HB ALA 35 2HB ALA 35 47.708 3.042 -2.228 241 2HB ALA 35 1HB ALA 35 49.144 3.735 -1.472 242 3HB ALA 35 3HB ALA 35 48.992 3.719 -3.230 243 H THR 36 H THR 36 49.354 0.982 0.018 244 HA THR 36 HA THR 36 51.770 2.116 1.005 245 HB THR 36 HB THR 36 49.603 1.312 2.252 246 HG1 THR 36 HG1 THR 36 50.792 1.982 3.829 247 1HG2 THR 36 3HG2 THR 36 49.977 -1.108 1.567 248 2HG2 THR 36 2HG2 THR 36 51.335 -1.120 2.690 249 3HG2 THR 36 1HG2 THR 36 49.701 -0.825 3.285 250 H ILE 37 H ILE 37 50.851 -1.090 -0.150 251 HA ILE 37 HA ILE 37 53.213 -2.477 0.424 252 HB ILE 37 HB ILE 37 51.303 -2.816 -1.884 253 1HG1 ILE 37 2HG1 ILE 37 50.095 -2.860 0.186 254 2HG1 ILE 37 1HG1 ILE 37 50.258 -4.512 -0.393 255 1HG2 ILE 37 3HG2 ILE 37 53.567 -4.009 -1.970 256 2HG2 ILE 37 2HG2 ILE 37 52.963 -4.973 -0.619 257 3HG2 ILE 37 1HG2 ILE 37 52.112 -4.989 -2.166 258 1HD1 ILE 37 3HD1 ILE 37 52.509 -4.210 1.162 259 2HD1 ILE 37 2HD1 ILE 37 51.296 -3.284 2.049 260 3HD1 ILE 37 1HD1 ILE 37 51.009 -4.985 1.676 261 H GLY 38 H GLY 38 52.461 -0.131 -2.019 262 1HA GLY 38 2HA GLY 38 54.569 -0.752 -3.846 263 2HA GLY 38 1HA GLY 38 53.657 0.757 -3.773 264 H ILE 39 H ILE 39 54.157 1.991 -1.635 265 HA ILE 39 HA ILE 39 56.784 2.938 -1.812 266 HB ILE 39 HB ILE 39 54.850 3.173 0.488 267 1HG1 ILE 39 2HG1 ILE 39 55.152 5.459 -1.312 268 2HG1 ILE 39 1HG1 ILE 39 54.498 4.036 -2.110 269 1HG2 ILE 39 2HG2 ILE 39 57.530 3.996 0.232 270 2HG2 ILE 39 1HG2 ILE 39 56.536 5.445 0.093 271 3HG2 ILE 39 3HG2 ILE 39 56.385 4.407 1.510 272 1HD1 ILE 39 3HD1 ILE 39 53.318 4.587 0.525 273 2HD1 ILE 39 2HD1 ILE 39 53.015 5.833 -0.688 274 3HD1 ILE 39 1HD1 ILE 39 52.535 4.163 -0.999 275 H LYS 40 H LYS 40 55.300 0.583 0.373 276 HA LYS 40 HA LYS 40 57.425 0.252 2.168 277 1HB LYS 40 2HB LYS 40 54.959 -1.067 1.598 278 2HB LYS 40 1HB LYS 40 56.229 -2.269 1.682 279 1HG LYS 40 2HG LYS 40 55.706 -2.215 3.882 280 2HG LYS 40 1HG LYS 40 56.916 -0.940 3.872 281 1HD LYS 40 2HD LYS 40 53.907 -0.599 3.758 282 2HD LYS 40 1HD LYS 40 54.940 -0.243 5.130 283 1HE LYS 40 2HE LYS 40 55.817 1.683 4.132 284 2HE LYS 40 1HE LYS 40 55.362 1.170 2.502 285 1HZ LYS 40 2HZ LYS 40 52.981 1.298 3.551 286 2HZ LYS 40 1HZ LYS 40 53.740 2.414 4.584 287 3HZ LYS 40 3HZ LYS 40 53.746 2.672 2.907 288 H LEU 41 H LEU 41 56.700 -1.420 -0.863 289 HA LEU 41 HA LEU 41 58.935 -3.138 -0.875 290 1HB LEU 41 2HB LEU 41 57.134 -2.053 -3.022 291 2HB LEU 41 1HB LEU 41 58.466 -3.132 -3.404 292 HG LEU 41 HG LEU 41 56.392 -3.813 -1.331 293 1HD1 LEU 41 2HD1 LEU 41 56.308 -4.380 -4.294 294 2HD1 LEU 41 1HD1 LEU 41 55.292 -5.188 -3.099 295 3HD1 LEU 41 3HD1 LEU 41 55.144 -3.448 -3.349 296 1HD2 LEU 41 2HD2 LEU 41 58.656 -5.043 -1.551 297 2HD2 LEU 41 1HD2 LEU 41 57.182 -6.005 -1.456 298 3HD2 LEU 41 3HD2 LEU 41 57.962 -5.742 -3.016 299 H PHE 42 H PHE 42 58.449 0.128 -2.122 300 HA PHE 42 HA PHE 42 60.751 0.468 -3.634 301 1HB PHE 42 2HB PHE 42 58.770 2.054 -3.267 302 2HB PHE 42 1HB PHE 42 59.643 2.612 -1.847 303 HD1 PHE 42 HD1 PHE 42 61.983 3.538 -2.159 304 HD2 PHE 42 HD2 PHE 42 59.305 2.835 -5.408 305 HE1 PHE 42 HE1 PHE 42 63.310 5.052 -3.581 306 HE2 PHE 42 HE2 PHE 42 60.632 4.348 -6.830 307 HZ PHE 42 HZ PHE 42 62.635 5.457 -5.917 308 H LYS 43 H LYS 43 60.321 0.609 -0.147 309 HA LYS 43 HA LYS 43 62.909 1.683 0.402 310 1HB LYS 43 2HB LYS 43 60.912 0.262 2.151 311 2HB LYS 43 1HB LYS 43 62.395 1.001 2.754 312 1HG LYS 43 2HG LYS 43 60.637 2.694 1.040 313 2HG LYS 43 1HG LYS 43 60.040 2.315 2.644 314 1HD LYS 43 2HD LYS 43 61.594 3.600 3.700 315 2HD LYS 43 1HD LYS 43 62.848 3.271 2.514 316 1HE LYS 43 2HE LYS 43 61.665 5.659 2.737 317 2HE LYS 43 1HE LYS 43 62.262 5.045 1.199 318 1HZ LYS 43 1HZ LYS 43 59.494 4.510 2.078 319 2HZ LYS 43 3HZ LYS 43 59.896 5.971 1.316 320 3HZ LYS 43 2HZ LYS 43 60.134 4.498 0.505 321 H LYS 44 H LYS 44 61.538 -1.570 0.941 322 HA LYS 44 HA LYS 44 63.759 -2.884 1.847 323 1HB LYS 44 2HB LYS 44 61.528 -3.886 1.676 324 2HB LYS 44 1HB LYS 44 61.697 -3.986 -0.060 325 1HG LYS 44 2HG LYS 44 63.851 -5.225 1.573 326 2HG LYS 44 1HG LYS 44 62.274 -6.029 1.575 327 1HD LYS 44 2HD LYS 44 63.857 -5.314 -0.926 328 2HD LYS 44 1HD LYS 44 63.725 -6.952 -0.265 329 1HE LYS 44 2HE LYS 44 61.541 -5.241 -1.481 330 2HE LYS 44 1HE LYS 44 62.129 -6.804 -2.037 331 1HZ LYS 44 1HZ LYS 44 61.271 -7.771 0.038 332 2HZ LYS 44 3HZ LYS 44 60.625 -6.262 0.467 333 3HZ LYS 44 2HZ LYS 44 60.048 -7.073 -0.911 334 H PHE 45 H PHE 45 62.821 -2.615 -1.591 335 HA PHE 45 HA PHE 45 64.962 -3.940 -2.756 336 1HB PHE 45 2HB PHE 45 63.135 -1.753 -3.602 337 2HB PHE 45 1HB PHE 45 64.585 -2.009 -4.541 338 HD1 PHE 45 HD1 PHE 45 64.934 -4.071 -5.842 339 HD2 PHE 45 HD2 PHE 45 61.366 -3.465 -3.548 340 HE1 PHE 45 HE1 PHE 45 63.849 -5.936 -7.013 341 HE2 PHE 45 HE2 PHE 45 60.297 -5.334 -4.730 342 HZ PHE 45 HZ PHE 45 61.536 -6.570 -6.461 343 H THR 46 H THR 46 64.793 -0.574 -1.657 344 HA THR 46 HA THR 46 67.502 -0.039 -2.512 345 HB THR 46 HB THR 46 67.078 2.173 -1.577 346 HG1 THR 46 HG1 THR 46 65.019 2.588 -0.667 347 1HG2 THR 46 3HG2 THR 46 65.662 0.930 -3.702 348 2HG2 THR 46 2HG2 THR 46 64.571 2.070 -2.912 349 3HG2 THR 46 1HG2 THR 46 66.124 2.626 -3.540 350 H SER 47 H SER 47 66.063 -1.451 0.212 351 HA SER 47 HA SER 47 68.496 -0.934 1.802 352 1HB SER 47 2HB SER 47 65.639 -0.713 2.543 353 2HB SER 47 1HB SER 47 66.702 -1.464 3.729 354 HG SER 47 HG SER 47 66.945 1.114 2.540 355 H LYS 48 H LYS 48 67.960 -3.114 -0.041 356 HA LYS 48 HA LYS 48 67.046 -5.471 0.975 357 1HB LYS 48 2HB LYS 48 69.131 -4.712 -0.962 358 2HB LYS 48 1HB LYS 48 69.289 -6.333 -0.292 359 1HG LYS 48 2HG LYS 48 67.093 -6.941 -1.086 360 2HG LYS 48 1HG LYS 48 66.751 -5.272 -1.558 361 1HD LYS 48 2HD LYS 48 67.781 -5.529 -3.520 362 2HD LYS 48 1HD LYS 48 69.197 -6.250 -2.760 363 1HE LYS 48 2HE LYS 48 66.630 -7.716 -3.398 364 2HE LYS 48 1HE LYS 48 68.103 -7.788 -4.360 365 1HZ LYS 48 3HZ LYS 48 69.245 -8.636 -2.351 366 2HZ LYS 48 2HZ LYS 48 67.740 -8.713 -1.566 367 3HZ LYS 48 1HZ LYS 48 68.036 -9.673 -2.935 368 H ALA 49 H ALA 49 70.505 -4.618 1.090 369 HA ALA 49 HA ALA 49 71.057 -4.839 3.707 370 1HB ALA 49 3HB ALA 49 70.281 -7.423 2.692 371 2HB ALA 49 2HB ALA 49 71.949 -7.460 3.272 372 3HB ALA 49 1HB ALA 49 70.649 -6.946 4.351 373 H SER 50 H SER 50 73.348 -5.243 4.178 374 HA SER 50 HA SER 50 75.566 -4.883 3.724 375 1HB SER 50 2HB SER 50 76.536 -6.324 2.195 376 2HB SER 50 1HB SER 50 75.003 -7.129 2.512 377 HG SER 50 HG SER 50 75.877 -6.493 0.182 No H/Q in entry = 377 Start of MODEL 20 1 1H ALA 1 3H ALA 1 21.999 -13.650 34.946 2 2H ALA 1 2H ALA 1 21.797 -15.027 35.920 3 3H ALA 1 1H ALA 1 20.663 -13.764 35.984 4 HA ALA 1 HA ALA 1 21.834 -12.599 37.435 5 1HB ALA 1 3HB ALA 1 23.418 -15.185 37.503 6 2HB ALA 1 2HB ALA 1 23.562 -13.910 38.714 7 3HB ALA 1 1HB ALA 1 22.030 -14.770 38.513 8 H GLU 2 H GLU 2 22.910 -10.862 36.812 9 HA GLU 2 HA GLU 2 24.525 -9.491 35.928 10 1HB GLU 2 2HB GLU 2 25.750 -11.277 37.659 11 2HB GLU 2 1HB GLU 2 26.745 -11.351 36.206 12 1HG GLU 2 2HG GLU 2 27.683 -9.610 37.499 13 2HG GLU 2 1HG GLU 2 26.729 -8.792 36.261 14 H GLY 3 H GLY 3 23.971 -9.420 33.776 15 1HA GLY 3 2HA GLY 3 25.707 -10.058 31.802 16 2HA GLY 3 1HA GLY 3 24.717 -11.508 31.938 17 H ASP 4 H ASP 4 24.976 -8.479 30.520 18 HA ASP 4 HA ASP 4 22.117 -8.214 30.001 19 1HB ASP 4 2HB ASP 4 23.122 -6.119 28.726 20 2HB ASP 4 1HB ASP 4 22.803 -6.086 30.451 21 H ASP 5 H ASP 5 24.904 -7.558 27.927 22 HA ASP 5 HA ASP 5 24.523 -9.666 26.117 23 1HB ASP 5 2HB ASP 5 22.399 -8.175 25.818 24 2HB ASP 5 1HB ASP 5 23.497 -7.117 24.930 25 HA PRO 6 HA PRO 6 28.289 -7.108 25.439 26 1HB PRO 6 2HB PRO 6 30.105 -8.828 26.468 27 2HB PRO 6 1HB PRO 6 29.225 -7.644 27.447 28 1HG PRO 6 2HG PRO 6 28.953 -10.550 27.374 29 2HG PRO 6 1HG PRO 6 28.384 -9.397 28.591 30 1HD PRO 6 2HD PRO 6 26.883 -10.666 26.473 31 2HD PRO 6 1HD PRO 6 26.293 -9.613 27.775 32 H ALA 7 H ALA 7 26.911 -9.637 24.026 33 HA ALA 7 HA ALA 7 29.239 -10.590 22.518 34 1HB ALA 7 2HB ALA 7 26.363 -11.513 22.606 35 2HB ALA 7 1HB ALA 7 27.597 -12.212 21.555 36 3HB ALA 7 3HB ALA 7 27.763 -12.324 23.309 37 H LYS 8 H LYS 8 28.809 -7.992 21.964 38 HA LYS 8 HA LYS 8 28.139 -6.412 20.445 39 1HB LYS 8 2HB LYS 8 28.832 -8.378 18.390 40 2HB LYS 8 1HB LYS 8 29.279 -6.698 18.550 41 1HG LYS 8 2HG LYS 8 30.939 -7.179 20.188 42 2HG LYS 8 1HG LYS 8 30.360 -8.830 20.390 43 1HD LYS 8 2HD LYS 8 31.940 -7.631 18.120 44 2HD LYS 8 1HD LYS 8 32.303 -9.058 19.081 45 1HE LYS 8 2HE LYS 8 30.288 -8.762 16.850 46 2HE LYS 8 1HE LYS 8 31.641 -9.886 16.966 47 1HZ LYS 8 1HZ LYS 8 30.018 -10.349 19.170 48 2HZ LYS 8 3HZ LYS 8 28.982 -10.228 17.833 49 3HZ LYS 8 2HZ LYS 8 30.253 -11.353 17.822 50 H ALA 9 H ALA 9 25.867 -6.769 20.931 51 HA ALA 9 HA ALA 9 24.273 -8.270 19.021 52 1HB ALA 9 1HB ALA 9 23.652 -6.712 21.514 53 2HB ALA 9 3HB ALA 9 22.368 -7.223 20.416 54 3HB ALA 9 2HB ALA 9 23.401 -8.428 21.189 55 H ALA 10 H ALA 10 24.250 -4.891 20.188 56 HA ALA 10 HA ALA 10 22.726 -3.937 17.975 57 1HB ALA 10 3HB ALA 10 24.277 -2.623 20.185 58 2HB ALA 10 2HB ALA 10 23.593 -1.668 18.867 59 3HB ALA 10 1HB ALA 10 22.536 -2.630 19.902 60 H PHE 11 H PHE 11 26.173 -3.924 18.765 61 HA PHE 11 HA PHE 11 27.082 -2.335 16.638 62 1HB PHE 11 2HB PHE 11 28.264 -3.628 18.741 63 2HB PHE 11 1HB PHE 11 28.834 -4.570 17.374 64 HD1 PHE 11 HD2 PHE 11 28.563 -1.078 18.656 65 HD2 PHE 11 HD1 PHE 11 30.628 -3.764 16.032 66 HE1 PHE 11 HE2 PHE 11 30.236 0.658 18.180 67 HE2 PHE 11 HE1 PHE 11 32.290 -2.016 15.566 68 HZ PHE 11 HZ PHE 11 32.097 0.194 16.637 69 H ASN 12 H ASN 12 26.224 -5.727 16.804 70 HA ASN 12 HA ASN 12 27.211 -6.294 14.129 71 1HB ASN 12 2HB ASN 12 27.132 -7.911 16.151 72 2HB ASN 12 1HB ASN 12 25.429 -8.102 15.731 73 1HD2 ASN 12 2HD2 ASN 12 26.311 -10.597 13.483 74 2HD2 ASN 12 1HD2 ASN 12 25.372 -10.087 14.841 75 H SER 13 H SER 13 24.257 -5.336 15.665 76 HA SER 13 HA SER 13 22.584 -6.079 13.404 77 1HB SER 13 2HB SER 13 22.093 -5.750 16.087 78 2HB SER 13 1HB SER 13 21.447 -4.261 15.398 79 HG SER 13 HG SER 13 20.260 -5.610 13.916 80 H LEU 14 H LEU 14 24.227 -3.289 14.675 81 HA LEU 14 HA LEU 14 22.840 -1.267 13.281 82 1HB LEU 14 2HB LEU 14 24.329 -0.799 15.160 83 2HB LEU 14 1HB LEU 14 25.703 -1.370 14.218 84 HG LEU 14 HG LEU 14 24.921 0.450 12.491 85 1HD1 LEU 14 1HD1 LEU 14 22.810 0.943 13.784 86 2HD1 LEU 14 3HD1 LEU 14 23.824 1.699 15.016 87 3HD1 LEU 14 2HD1 LEU 14 23.783 2.357 13.379 88 1HD2 LEU 14 1HD2 LEU 14 26.386 1.046 15.065 89 2HD2 LEU 14 3HD2 LEU 14 27.063 0.738 13.459 90 3HD2 LEU 14 2HD2 LEU 14 26.204 2.244 13.786 91 H GLN 15 H GLN 15 25.637 -3.254 12.418 92 HA GLN 15 HA GLN 15 26.192 -1.902 9.972 93 1HB GLN 15 2HB GLN 15 27.967 -3.124 10.963 94 2HB GLN 15 1HB GLN 15 26.996 -4.581 11.093 95 1HG GLN 15 2HG GLN 15 26.969 -4.766 8.630 96 2HG GLN 15 1HG GLN 15 27.984 -3.331 8.521 97 1HE2 GLN 15 2HD2 GLN 15 30.584 -5.710 8.351 98 2HE2 GLN 15 1HD2 GLN 15 29.529 -4.692 7.435 99 H ALA 16 H ALA 16 24.459 -4.901 10.763 100 HA ALA 16 HA ALA 16 23.842 -5.763 8.203 101 1HB ALA 16 3HB ALA 16 23.349 -6.846 10.508 102 2HB ALA 16 2HB ALA 16 21.826 -5.959 10.410 103 3HB ALA 16 1HB ALA 16 22.237 -7.147 9.171 104 H SER 17 H SER 17 22.634 -3.061 9.939 105 HA SER 17 HA SER 17 20.402 -2.664 8.078 106 1HB SER 17 2HB SER 17 21.174 -0.957 10.439 107 2HB SER 17 1HB SER 17 19.637 -0.973 9.581 108 HG SER 17 HG SER 17 20.723 -3.213 10.971 109 H ALA 18 H ALA 18 23.251 -0.940 9.323 110 HA ALA 18 HA ALA 18 23.094 0.985 7.120 111 1HB ALA 18 1HB ALA 18 24.479 0.858 9.745 112 2HB ALA 18 3HB ALA 18 25.256 1.780 8.458 113 3HB ALA 18 2HB ALA 18 23.623 2.201 8.982 114 H THR 19 H THR 19 23.576 -1.433 6.116 115 HA THR 19 HA THR 19 26.453 -1.815 5.824 116 HB THR 19 HB THR 19 24.814 -3.721 6.126 117 HG1 THR 19 HG1 THR 19 26.168 -4.984 5.013 118 1HG2 THR 19 3HG2 THR 19 23.672 -2.568 3.754 119 2HG2 THR 19 2HG2 THR 19 24.252 -4.192 3.386 120 3HG2 THR 19 1HG2 THR 19 23.097 -3.945 4.698 121 H GLU 20 H GLU 20 24.887 0.524 4.682 122 HA GLU 20 HA GLU 20 25.257 0.140 1.828 123 1HB GLU 20 2HB GLU 20 23.522 1.679 3.426 124 2HB GLU 20 1HB GLU 20 24.540 2.819 2.551 125 1HG GLU 20 2HG GLU 20 22.449 2.226 1.334 126 2HG GLU 20 1HG GLU 20 23.912 1.833 0.433 127 H TYR 21 H TYR 21 26.927 1.401 4.499 128 HA TYR 21 HA TYR 21 28.758 2.901 2.746 129 1HB TYR 21 2HB TYR 21 28.234 3.158 5.706 130 2HB TYR 21 1HB TYR 21 29.504 4.010 4.848 131 HD1 TYR 21 HD1 TYR 21 28.887 5.649 3.048 132 HD2 TYR 21 HD2 TYR 21 25.980 3.913 5.657 133 HE1 TYR 21 HE1 TYR 21 27.287 7.425 2.457 134 HE2 TYR 21 HE2 TYR 21 24.387 5.692 5.057 135 HH TYR 21 HH TYR 21 24.808 8.298 4.101 136 H ILE 22 H ILE 22 28.494 0.171 4.863 137 HA ILE 22 HA ILE 22 31.393 -0.100 5.110 138 HB ILE 22 HB ILE 22 29.241 -1.964 6.076 139 1HG1 ILE 22 2HG1 ILE 22 30.349 0.532 7.413 140 2HG1 ILE 22 1HG1 ILE 22 28.671 -0.013 7.296 141 1HG2 ILE 22 2HG2 ILE 22 31.547 -2.877 5.897 142 2HG2 ILE 22 1HG2 ILE 22 32.092 -1.667 7.060 143 3HG2 ILE 22 3HG2 ILE 22 30.918 -2.892 7.546 144 1HD1 ILE 22 3HD1 ILE 22 29.670 -2.046 8.741 145 2HD1 ILE 22 2HD1 ILE 22 30.775 -0.767 9.246 146 3HD1 ILE 22 1HD1 ILE 22 29.035 -0.569 9.467 147 H GLY 23 H GLY 23 31.338 -0.241 2.685 148 1HA GLY 23 2HA GLY 23 31.878 -2.914 1.892 149 2HA GLY 23 1HA GLY 23 30.337 -2.378 1.222 150 H TYR 24 H TYR 24 30.634 0.106 0.465 151 HA TYR 24 HA TYR 24 32.408 -0.035 -1.791 152 1HB TYR 24 2HB TYR 24 30.937 2.426 -0.908 153 2HB TYR 24 1HB TYR 24 31.364 1.925 -2.536 154 HD1 TYR 24 HD1 TYR 24 30.240 -0.180 -3.474 155 HD2 TYR 24 HD2 TYR 24 28.796 1.884 -0.010 156 HE1 TYR 24 HE1 TYR 24 28.043 -1.253 -3.736 157 HE2 TYR 24 HE2 TYR 24 26.610 0.798 -0.289 158 HH TYR 24 HH TYR 24 25.645 -0.731 -3.070 159 H ALA 25 H ALA 25 32.502 1.364 1.380 160 HA ALA 25 HA ALA 25 34.497 3.332 0.924 161 1HB ALA 25 2HB ALA 25 33.421 1.927 3.341 162 2HB ALA 25 1HB ALA 25 34.863 2.935 3.479 163 3HB ALA 25 3HB ALA 25 33.345 3.638 2.917 164 H TRP 26 H TRP 26 34.595 -0.105 1.300 165 HA TRP 26 HA TRP 26 37.340 -0.308 2.093 166 1HB TRP 26 2HB TRP 26 35.140 -2.107 1.561 167 2HB TRP 26 1HB TRP 26 36.618 -2.680 0.807 168 HD1 TRP 26 1HD TRP 26 35.028 -2.097 4.239 169 HE1 TRP 26 1HE TRP 26 36.518 -3.179 6.007 170 HE3 TRP 26 3HE TRP 26 39.088 -3.317 1.365 171 HZ2 TRP 26 2HZ TRP 26 39.045 -4.384 6.208 172 HZ3 TRP 26 3HZ TRP 26 41.012 -4.433 2.414 173 HH2 TRP 26 HH2 TRP 26 40.994 -4.964 4.815 174 H ALA 27 H ALA 27 35.618 -0.800 -0.983 175 HA ALA 27 HA ALA 27 37.773 -1.425 -2.612 176 1HB ALA 27 1HB ALA 27 35.234 0.097 -3.200 177 2HB ALA 27 3HB ALA 27 36.389 -0.366 -4.451 178 3HB ALA 27 2HB ALA 27 35.573 -1.610 -3.502 179 H MET 28 H MET 28 36.698 1.689 -1.404 180 HA MET 28 HA MET 28 38.422 3.252 -3.046 181 1HB MET 28 2HB MET 28 36.206 3.753 -1.539 182 2HB MET 28 1HB MET 28 37.477 4.346 -0.479 183 1HG MET 28 2HG MET 28 36.541 6.086 -1.953 184 2HG MET 28 1HG MET 28 38.264 5.851 -2.172 185 1HE MET 28 2HE MET 28 35.051 4.025 -3.335 186 2HE MET 28 1HE MET 28 35.391 3.683 -5.031 187 3HE MET 28 3HE MET 28 36.326 2.884 -3.758 188 H VAL 29 H VAL 29 38.472 2.124 0.316 189 HA VAL 29 HA VAL 29 40.820 3.380 1.156 190 HB VAL 29 HB VAL 29 39.617 0.739 1.978 191 1HG1 VAL 29 2HG1 VAL 29 42.028 2.153 2.863 192 2HG1 VAL 29 1HG1 VAL 29 40.937 1.675 4.165 193 3HG1 VAL 29 3HG1 VAL 29 41.569 0.460 3.053 194 1HG2 VAL 29 2HG2 VAL 29 38.651 3.333 2.282 195 2HG2 VAL 29 1HG2 VAL 29 38.126 1.900 3.168 196 3HG2 VAL 29 3HG2 VAL 29 39.380 2.942 3.841 197 H VAL 30 H VAL 30 40.341 0.147 -0.260 198 HA VAL 30 HA VAL 30 42.919 -0.801 -0.204 199 HB VAL 30 HB VAL 30 40.660 -1.803 -1.085 200 1HG1 VAL 30 3HG1 VAL 30 40.911 -0.161 -3.122 201 2HG1 VAL 30 2HG1 VAL 30 41.931 -1.454 -3.751 202 3HG1 VAL 30 1HG1 VAL 30 40.247 -1.782 -3.336 203 1HG2 VAL 30 1HG2 VAL 30 43.418 -2.538 -2.033 204 2HG2 VAL 30 3HG2 VAL 30 42.541 -3.169 -0.637 205 3HG2 VAL 30 2HG2 VAL 30 42.002 -3.565 -2.271 206 H VAL 31 H VAL 31 41.516 1.569 -2.363 207 HA VAL 31 HA VAL 31 43.728 1.678 -4.163 208 HB VAL 31 HB VAL 31 41.386 3.492 -3.646 209 1HG1 VAL 31 2HG1 VAL 31 43.703 3.796 -5.485 210 2HG1 VAL 31 1HG1 VAL 31 42.106 4.291 -6.052 211 3HG1 VAL 31 3HG1 VAL 31 42.792 5.020 -4.599 212 1HG2 VAL 31 2HG2 VAL 31 41.341 1.061 -4.764 213 2HG2 VAL 31 1HG2 VAL 31 40.283 2.370 -5.294 214 3HG2 VAL 31 3HG2 VAL 31 41.761 2.012 -6.191 215 H ILE 32 H ILE 32 42.963 3.085 -1.122 216 HA ILE 32 HA ILE 32 44.977 5.184 -1.362 217 HB ILE 32 HB ILE 32 43.243 4.432 0.988 218 1HG1 ILE 32 2HG1 ILE 32 42.842 6.596 -1.084 219 2HG1 ILE 32 1HG1 ILE 32 41.929 5.091 -0.997 220 1HG2 ILE 32 3HG2 ILE 32 45.480 5.958 1.031 221 2HG2 ILE 32 2HG2 ILE 32 44.259 7.179 0.664 222 3HG2 ILE 32 1HG2 ILE 32 44.108 6.186 2.117 223 1HD1 ILE 32 3HD1 ILE 32 41.938 6.454 1.562 224 2HD1 ILE 32 2HD1 ILE 32 41.312 7.499 0.285 225 3HD1 ILE 32 1HD1 ILE 32 40.570 5.925 0.582 226 H VAL 33 H VAL 33 44.360 2.260 0.562 227 HA VAL 33 HA VAL 33 46.809 2.378 2.004 228 HB VAL 33 HB VAL 33 44.767 0.221 1.498 229 1HG1 VAL 33 2HG1 VAL 33 47.314 0.134 3.058 230 2HG1 VAL 33 1HG1 VAL 33 45.928 -0.853 3.529 231 3HG1 VAL 33 3HG1 VAL 33 46.651 -1.050 1.932 232 1HG2 VAL 33 1HG2 VAL 33 44.339 2.346 2.939 233 2HG2 VAL 33 3HG2 VAL 33 43.862 0.764 3.559 234 3HG2 VAL 33 2HG2 VAL 33 45.350 1.523 4.128 235 H GLY 34 H GLY 34 45.676 0.676 -0.889 236 1HA GLY 34 2HA GLY 34 47.824 -1.002 -1.400 237 2HA GLY 34 1HA GLY 34 46.831 -0.254 -2.653 238 H ALA 35 H ALA 35 47.546 2.458 -1.775 239 HA ALA 35 HA ALA 35 49.764 2.922 -3.455 240 1HB ALA 35 3HB ALA 35 47.860 4.521 -2.548 241 2HB ALA 35 2HB ALA 35 49.061 4.868 -1.302 242 3HB ALA 35 1HB ALA 35 49.442 5.159 -3.001 243 H THR 36 H THR 36 49.466 2.217 -0.063 244 HA THR 36 HA THR 36 52.097 3.067 0.687 245 HB THR 36 HB THR 36 49.967 2.658 2.149 246 HG1 THR 36 HG1 THR 36 52.017 3.361 2.907 247 1HG2 THR 36 3HG2 THR 36 50.186 0.090 1.423 248 2HG2 THR 36 2HG2 THR 36 51.221 0.058 2.852 249 3HG2 THR 36 1HG2 THR 36 49.541 0.582 2.990 250 H ILE 37 H ILE 37 50.668 0.106 -0.504 251 HA ILE 37 HA ILE 37 52.800 -1.658 0.069 252 HB ILE 37 HB ILE 37 50.725 -1.710 -2.115 253 1HG1 ILE 37 2HG1 ILE 37 50.861 -2.937 0.622 254 2HG1 ILE 37 1HG1 ILE 37 49.701 -1.753 0.040 255 1HG2 ILE 37 2HG2 ILE 37 53.042 -3.307 -1.839 256 2HG2 ILE 37 1HG2 ILE 37 51.663 -4.306 -1.377 257 3HG2 ILE 37 3HG2 ILE 37 51.696 -3.529 -2.961 258 1HD1 ILE 37 3HD1 ILE 37 49.179 -3.638 -1.745 259 2HD1 ILE 37 2HD1 ILE 37 49.853 -4.689 -0.497 260 3HD1 ILE 37 1HD1 ILE 37 48.447 -3.684 -0.140 261 H GLY 38 H GLY 38 52.269 0.713 -2.420 262 1HA GLY 38 2HA GLY 38 54.286 -0.206 -4.236 263 2HA GLY 38 1HA GLY 38 53.513 1.382 -4.243 264 H ILE 39 H ILE 39 54.208 1.877 -1.437 265 HA ILE 39 HA ILE 39 56.954 2.795 -1.886 266 HB ILE 39 HB ILE 39 55.460 3.360 0.628 267 1HG1 ILE 39 2HG1 ILE 39 53.718 3.827 -0.915 268 2HG1 ILE 39 1HG1 ILE 39 54.437 5.358 -0.472 269 1HG2 ILE 39 3HG2 ILE 39 57.822 4.118 0.070 270 2HG2 ILE 39 2HG2 ILE 39 57.065 5.232 -1.072 271 3HG2 ILE 39 1HG2 ILE 39 56.692 5.344 0.647 272 1HD1 ILE 39 2HD1 ILE 39 55.810 5.233 -2.577 273 2HD1 ILE 39 1HD1 ILE 39 54.823 3.847 -3.052 274 3HD1 ILE 39 3HD1 ILE 39 54.075 5.426 -2.824 275 H LYS 40 H LYS 40 55.056 0.808 0.281 276 HA LYS 40 HA LYS 40 57.041 0.140 2.138 277 1HB LYS 40 2HB LYS 40 54.439 -0.341 2.007 278 2HB LYS 40 1HB LYS 40 54.996 -1.870 1.337 279 1HG LYS 40 2HG LYS 40 55.148 -2.507 3.489 280 2HG LYS 40 1HG LYS 40 56.636 -1.562 3.502 281 1HD LYS 40 2HD LYS 40 54.030 -0.184 4.002 282 2HD LYS 40 1HD LYS 40 54.746 -1.139 5.300 283 1HE LYS 40 2HE LYS 40 55.819 1.334 3.951 284 2HE LYS 40 1HE LYS 40 55.578 1.032 5.671 285 1HZ LYS 40 3HZ LYS 40 57.333 -0.828 5.236 286 2HZ LYS 40 2HZ LYS 40 57.763 0.166 3.928 287 3HZ LYS 40 1HZ LYS 40 57.813 0.774 5.511 288 H LEU 41 H LEU 41 56.084 -1.354 -0.918 289 HA LEU 41 HA LEU 41 57.801 -3.581 -0.833 290 1HB LEU 41 2HB LEU 41 56.433 -2.046 -3.008 291 2HB LEU 41 1HB LEU 41 57.606 -3.285 -3.437 292 HG LEU 41 HG LEU 41 55.153 -3.671 -1.711 293 1HD1 LEU 41 2HD1 LEU 41 55.755 -4.433 -4.563 294 2HD1 LEU 41 1HD1 LEU 41 54.432 -5.136 -3.631 295 3HD1 LEU 41 3HD1 LEU 41 54.452 -3.404 -3.963 296 1HD2 LEU 41 3HD2 LEU 41 57.532 -5.304 -2.061 297 2HD2 LEU 41 2HD2 LEU 41 56.196 -5.488 -0.924 298 3HD2 LEU 41 1HD2 LEU 41 56.071 -6.161 -2.549 299 H PHE 42 H PHE 42 58.251 -0.292 -2.032 300 HA PHE 42 HA PHE 42 60.768 -0.582 -3.224 301 1HB PHE 42 2HB PHE 42 59.335 1.391 -3.486 302 2HB PHE 42 1HB PHE 42 59.609 1.812 -1.801 303 HD1 PHE 42 HD2 PHE 42 61.295 1.341 -5.067 304 HD2 PHE 42 HD1 PHE 42 61.509 3.036 -1.156 305 HE1 PHE 42 HE2 PHE 42 63.315 2.590 -5.721 306 HE2 PHE 42 HE1 PHE 42 63.531 4.285 -1.808 307 HZ PHE 42 HZ PHE 42 64.435 4.062 -4.090 308 H LYS 43 H LYS 43 59.901 0.393 0.073 309 HA LYS 43 HA LYS 43 62.446 0.822 1.102 310 1HB LYS 43 2HB LYS 43 59.901 -0.118 2.392 311 2HB LYS 43 1HB LYS 43 61.347 0.323 3.304 312 1HG LYS 43 2HG LYS 43 60.737 2.313 1.292 313 2HG LYS 43 1HG LYS 43 59.352 2.040 2.332 314 1HD LYS 43 2HD LYS 43 60.635 2.544 4.320 315 2HD LYS 43 1HD LYS 43 62.127 2.621 3.390 316 1HE LYS 43 2HE LYS 43 60.119 4.678 3.876 317 2HE LYS 43 1HE LYS 43 61.788 4.835 3.332 318 1HZ LYS 43 3HZ LYS 43 59.483 4.120 1.596 319 2HZ LYS 43 2HZ LYS 43 60.192 5.660 1.701 320 3HZ LYS 43 1HZ LYS 43 61.085 4.351 1.088 321 H LYS 44 H LYS 44 60.946 -2.153 0.222 322 HA LYS 44 HA LYS 44 62.707 -3.753 1.921 323 1HB LYS 44 2HB LYS 44 60.339 -4.391 1.665 324 2HB LYS 44 1HB LYS 44 60.588 -4.613 -0.053 325 1HG LYS 44 2HG LYS 44 62.410 -6.087 1.785 326 2HG LYS 44 1HG LYS 44 60.727 -6.629 1.699 327 1HD LYS 44 2HD LYS 44 62.620 -6.342 -0.668 328 2HD LYS 44 1HD LYS 44 62.079 -7.883 0.014 329 1HE LYS 44 2HE LYS 44 60.489 -5.828 -1.531 330 2HE LYS 44 1HE LYS 44 60.693 -7.542 -1.875 331 1HZ LYS 44 2HZ LYS 44 59.472 -7.950 0.261 332 2HZ LYS 44 1HZ LYS 44 59.089 -6.296 0.279 333 3HZ LYS 44 3HZ LYS 44 58.546 -7.276 -0.994 334 H PHE 45 H PHE 45 61.947 -3.423 -1.537 335 HA PHE 45 HA PHE 45 64.048 -5.074 -2.473 336 1HB PHE 45 2HB PHE 45 62.195 -3.068 -3.648 337 2HB PHE 45 1HB PHE 45 63.632 -3.477 -4.558 338 HD1 PHE 45 HD1 PHE 45 64.074 -5.930 -5.138 339 HD2 PHE 45 HD2 PHE 45 60.300 -4.540 -3.639 340 HE1 PHE 45 HE1 PHE 45 62.979 -7.967 -5.966 341 HE2 PHE 45 HE2 PHE 45 59.229 -6.582 -4.478 342 HZ PHE 45 HZ PHE 45 60.561 -8.296 -5.640 343 H THR 46 H THR 46 63.876 -1.725 -1.540 344 HA THR 46 HA THR 46 66.475 -1.109 -2.681 345 HB THR 46 HB THR 46 66.014 1.132 -1.977 346 HG1 THR 46 HG1 THR 46 63.886 -0.054 -0.543 347 1HG2 THR 46 1HG2 THR 46 64.280 -0.391 -3.656 348 2HG2 THR 46 3HG2 THR 46 63.333 0.848 -2.827 349 3HG2 THR 46 2HG2 THR 46 64.736 1.310 -3.791 350 H SER 47 H SER 47 65.422 -2.576 0.125 351 HA SER 47 HA SER 47 67.450 -1.370 1.851 352 1HB SER 47 2HB SER 47 64.970 -2.792 2.253 353 2HB SER 47 1HB SER 47 66.273 -3.545 3.168 354 HG SER 47 HG SER 47 66.166 -1.897 4.487 355 H LYS 48 H LYS 48 66.584 -4.563 0.545 356 HA LYS 48 HA LYS 48 68.645 -6.088 1.547 357 1HB LYS 48 2HB LYS 48 68.275 -7.597 -0.285 358 2HB LYS 48 1HB LYS 48 66.739 -6.919 0.197 359 1HG LYS 48 2HG LYS 48 66.566 -6.738 -2.082 360 2HG LYS 48 1HG LYS 48 67.214 -5.157 -1.665 361 1HD LYS 48 2HD LYS 48 69.043 -5.536 -2.899 362 2HD LYS 48 1HD LYS 48 69.371 -7.026 -2.019 363 1HE LYS 48 2HE LYS 48 69.108 -7.459 -4.417 364 2HE LYS 48 1HE LYS 48 67.831 -8.241 -3.490 365 1HZ LYS 48 1HZ LYS 48 66.447 -6.234 -4.003 366 2HZ LYS 48 3HZ LYS 48 67.649 -5.766 -5.103 367 3HZ LYS 48 2HZ LYS 48 66.813 -7.226 -5.333 368 H ALA 49 H ALA 49 68.595 -3.940 -1.201 369 HA ALA 49 HA ALA 49 70.837 -4.651 -2.497 370 1HB ALA 49 1HB ALA 49 69.205 -2.851 -3.148 371 2HB ALA 49 3HB ALA 49 70.063 -1.774 -2.044 372 3HB ALA 49 2HB ALA 49 70.900 -2.454 -3.442 373 H SER 50 H SER 50 72.991 -3.602 -2.576 374 HA SER 50 HA SER 50 74.404 -3.864 -0.190 375 1HB SER 50 2HB SER 50 75.155 -3.672 -2.730 376 2HB SER 50 1HB SER 50 75.430 -1.995 -2.272 377 HG SER 50 HG SER 50 76.869 -2.690 -0.704 No H/Q in entry = 377 Start of MODEL 21 1 1H ALA 1 2H ALA 1 41.489 18.795 24.749 2 2H ALA 1 1H ALA 1 42.924 19.670 25.001 3 3H ALA 1 3H ALA 1 42.227 19.615 23.456 4 HA ALA 1 HA ALA 1 42.736 17.354 23.169 5 1HB ALA 1 2HB ALA 1 45.095 18.745 24.477 6 2HB ALA 1 1HB ALA 1 45.200 17.331 23.427 7 3HB ALA 1 3HB ALA 1 44.637 18.874 22.777 8 H GLU 2 H GLU 2 42.595 18.346 26.440 9 HA GLU 2 HA GLU 2 43.827 16.436 27.933 10 1HB GLU 2 2HB GLU 2 41.129 17.720 28.259 11 2HB GLU 2 1HB GLU 2 41.779 16.610 29.463 12 1HG GLU 2 2HG GLU 2 42.962 18.285 30.352 13 2HG GLU 2 1HG GLU 2 43.830 18.472 28.827 14 H GLY 3 H GLY 3 43.956 14.334 27.412 15 1HA GLY 3 2HA GLY 3 41.689 12.640 27.677 16 2HA GLY 3 1HA GLY 3 42.193 12.765 25.994 17 H ASP 4 H ASP 4 42.554 11.012 28.764 18 HA ASP 4 HA ASP 4 45.221 10.016 27.963 19 1HB ASP 4 2HB ASP 4 45.282 11.080 30.164 20 2HB ASP 4 1HB ASP 4 43.959 10.048 30.712 21 H ASP 5 H ASP 5 43.592 8.829 26.467 22 HA ASP 5 HA ASP 5 43.511 6.130 27.237 23 1HB ASP 5 2HB ASP 5 41.578 7.154 28.593 24 2HB ASP 5 1HB ASP 5 40.743 7.287 27.046 25 HA PRO 6 HA PRO 6 43.131 6.050 22.821 26 1HB PRO 6 2HB PRO 6 43.223 3.373 22.477 27 2HB PRO 6 1HB PRO 6 44.638 4.347 22.899 28 1HG PRO 6 2HG PRO 6 43.088 2.482 24.557 29 2HG PRO 6 1HG PRO 6 44.759 3.036 24.740 30 1HD PRO 6 2HD PRO 6 42.476 3.935 26.175 31 2HD PRO 6 1HD PRO 6 44.130 4.565 26.267 32 H ALA 7 H ALA 7 40.620 5.637 24.733 33 HA ALA 7 HA ALA 7 38.779 3.892 23.734 34 1HB ALA 7 1HB ALA 7 38.464 6.710 24.734 35 2HB ALA 7 3HB ALA 7 37.070 5.743 24.248 36 3HB ALA 7 2HB ALA 7 38.108 5.196 25.567 37 H LYS 8 H LYS 8 40.006 6.762 22.171 38 HA LYS 8 HA LYS 8 38.101 7.357 20.287 39 1HB LYS 8 2HB LYS 8 39.903 8.203 18.928 40 2HB LYS 8 1HB LYS 8 40.236 8.563 20.614 41 1HG LYS 8 2HG LYS 8 41.709 6.538 20.699 42 2HG LYS 8 1HG LYS 8 41.418 6.309 18.977 43 1HD LYS 8 2HD LYS 8 43.580 7.538 19.699 44 2HD LYS 8 1HD LYS 8 42.645 8.192 18.363 45 1HE LYS 8 2HE LYS 8 43.488 9.870 20.089 46 2HE LYS 8 1HE LYS 8 41.772 9.955 19.700 47 1HZ LYS 8 1HZ LYS 8 42.142 8.147 21.820 48 2HZ LYS 8 3HZ LYS 8 42.963 9.582 22.193 49 3HZ LYS 8 2HZ LYS 8 41.306 9.625 21.822 50 H ALA 9 H ALA 9 40.272 4.620 20.413 51 HA ALA 9 HA ALA 9 40.116 3.691 17.787 52 1HB ALA 9 2HB ALA 9 40.654 2.470 20.438 53 2HB ALA 9 1HB ALA 9 40.243 1.371 19.120 54 3HB ALA 9 3HB ALA 9 41.629 2.453 18.967 55 H ALA 10 H ALA 10 37.817 3.526 20.407 56 HA ALA 10 HA ALA 10 36.093 1.592 19.148 57 1HB ALA 10 1HB ALA 10 36.368 2.436 21.703 58 2HB ALA 10 3HB ALA 10 34.977 3.399 21.203 59 3HB ALA 10 2HB ALA 10 34.918 1.639 21.090 60 H PHE 11 H PHE 11 36.006 5.108 19.660 61 HA PHE 11 HA PHE 11 33.569 5.693 18.470 62 1HB PHE 11 2HB PHE 11 35.138 7.266 19.681 63 2HB PHE 11 1HB PHE 11 36.047 7.382 18.184 64 HD1 PHE 11 HD1 PHE 11 34.689 8.031 16.052 65 HD2 PHE 11 HD2 PHE 11 33.354 8.781 20.053 66 HE1 PHE 11 HE1 PHE 11 33.170 9.781 15.227 67 HE2 PHE 11 HE2 PHE 11 31.843 10.526 19.212 68 HZ PHE 11 HZ PHE 11 31.749 11.029 16.804 69 H ASN 12 H ASN 12 36.753 5.300 16.968 70 HA ASN 12 HA ASN 12 35.854 5.883 14.315 71 1HB ASN 12 2HB ASN 12 38.269 5.902 15.352 72 2HB ASN 12 1HB ASN 12 38.274 4.211 14.850 73 1HD2 ASN 12 2HD2 ASN 12 39.359 6.738 12.151 74 2HD2 ASN 12 1HD2 ASN 12 39.646 6.742 13.855 75 H SER 13 H SER 13 35.851 3.072 16.331 76 HA SER 13 HA SER 13 35.597 1.149 14.196 77 1HB SER 13 2HB SER 13 36.267 0.951 16.832 78 2HB SER 13 1HB SER 13 34.589 0.408 16.859 79 HG SER 13 HG SER 13 35.783 -1.388 16.406 80 H LEU 14 H LEU 14 33.464 3.066 16.182 81 HA LEU 14 HA LEU 14 31.067 1.638 15.582 82 1HB LEU 14 2HB LEU 14 31.252 3.063 17.555 83 2HB LEU 14 1HB LEU 14 31.502 4.468 16.524 84 HG LEU 14 HG LEU 14 29.222 3.838 15.465 85 1HD1 LEU 14 3HD1 LEU 14 28.996 1.611 16.472 86 2HD1 LEU 14 2HD1 LEU 14 28.971 2.333 18.084 87 3HD1 LEU 14 1HD1 LEU 14 27.658 2.656 16.951 88 1HD2 LEU 14 1HD2 LEU 14 29.494 5.001 18.239 89 2HD2 LEU 14 3HD2 LEU 14 29.282 5.854 16.704 90 3HD2 LEU 14 2HD2 LEU 14 27.948 4.931 17.397 91 H GLN 15 H GLN 15 32.713 4.435 14.216 92 HA GLN 15 HA GLN 15 30.746 5.274 12.394 93 1HB GLN 15 2HB GLN 15 32.850 6.491 13.040 94 2HB GLN 15 1HB GLN 15 33.734 5.391 11.991 95 1HG GLN 15 2HG GLN 15 33.336 7.294 10.655 96 2HG GLN 15 1HG GLN 15 32.115 6.130 10.139 97 1HE2 GLN 15 2HD2 GLN 15 30.979 9.695 11.449 98 2HE2 GLN 15 1HD2 GLN 15 32.573 9.270 10.933 99 H ALA 16 H ALA 16 32.868 2.555 12.394 100 HA ALA 16 HA ALA 16 32.781 2.041 9.566 101 1HB ALA 16 1HB ALA 16 33.584 0.280 11.886 102 2HB ALA 16 3HB ALA 16 33.820 -0.115 10.183 103 3HB ALA 16 2HB ALA 16 34.662 1.264 10.894 104 H SER 17 H SER 17 30.347 1.913 11.763 105 HA SER 17 HA SER 17 29.187 -0.612 10.851 106 1HB SER 17 2HB SER 17 27.460 -0.172 12.515 107 2HB SER 17 1HB SER 17 29.058 -0.033 13.236 108 HG SER 17 HG SER 17 27.278 1.728 13.500 109 H ALA 18 H ALA 18 29.563 1.674 9.033 110 HA ALA 18 HA ALA 18 26.806 2.464 8.434 111 1HB ALA 18 1HB ALA 18 28.759 4.145 8.575 112 2HB ALA 18 3HB ALA 18 29.262 3.469 7.025 113 3HB ALA 18 2HB ALA 18 27.683 4.240 7.179 114 H THR 19 H THR 19 26.509 0.189 7.815 115 HA THR 19 HA THR 19 27.741 -1.170 5.788 116 HB THR 19 HB THR 19 24.811 -1.090 6.396 117 HG1 THR 19 HG1 THR 19 26.747 -2.976 7.230 118 1HG2 THR 19 2HG2 THR 19 25.404 -2.086 4.154 119 2HG2 THR 19 1HG2 THR 19 26.328 -3.309 5.029 120 3HG2 THR 19 3HG2 THR 19 24.585 -3.185 5.267 121 H GLU 20 H GLU 20 25.750 1.610 5.512 122 HA GLU 20 HA GLU 20 25.181 1.330 2.722 123 1HB GLU 20 2HB GLU 20 24.207 2.898 4.757 124 2HB GLU 20 1HB GLU 20 25.159 4.049 3.829 125 1HG GLU 20 2HG GLU 20 23.907 3.348 1.775 126 2HG GLU 20 1HG GLU 20 22.874 2.346 2.802 127 H TYR 21 H TYR 21 27.936 2.163 4.439 128 HA TYR 21 HA TYR 21 29.086 3.573 2.114 129 1HB TYR 21 2HB TYR 21 29.521 3.888 5.055 130 2HB TYR 21 1HB TYR 21 30.781 4.345 3.920 131 HD1 TYR 21 HD1 TYR 21 30.296 6.099 2.189 132 HD2 TYR 21 HD2 TYR 21 27.602 5.249 5.395 133 HE1 TYR 21 HE1 TYR 21 29.166 8.255 1.818 134 HE2 TYR 21 HE2 TYR 21 26.481 7.408 5.017 135 HH TYR 21 HH TYR 21 27.379 9.779 3.883 136 H ILE 22 H ILE 22 29.167 0.653 3.788 137 HA ILE 22 HA ILE 22 32.015 0.174 3.339 138 HB ILE 22 HB ILE 22 29.887 -1.705 4.318 139 1HG1 ILE 22 2HG1 ILE 22 31.646 0.225 5.881 140 2HG1 ILE 22 1HG1 ILE 22 29.911 -0.073 6.046 141 1HG2 ILE 22 3HG2 ILE 22 31.848 -2.832 3.398 142 2HG2 ILE 22 2HG2 ILE 22 32.892 -1.950 4.515 143 3HG2 ILE 22 1HG2 ILE 22 31.707 -3.100 5.138 144 1HD1 ILE 22 2HD1 ILE 22 30.930 -2.534 6.668 145 2HD1 ILE 22 1HD1 ILE 22 32.193 -1.466 7.281 146 3HD1 ILE 22 3HD1 ILE 22 30.532 -1.283 7.848 147 H GLY 23 H GLY 23 31.841 0.463 1.103 148 1HA GLY 23 2HA GLY 23 31.836 -1.904 -0.381 149 2HA GLY 23 1HA GLY 23 30.298 -1.101 -0.638 150 H TYR 24 H TYR 24 30.831 1.477 -0.725 151 HA TYR 24 HA TYR 24 32.418 1.781 -3.155 152 1HB TYR 24 2HB TYR 24 30.918 3.989 -1.786 153 2HB TYR 24 1HB TYR 24 31.249 3.768 -3.498 154 HD1 TYR 24 HD2 TYR 24 30.167 1.735 -4.652 155 HD2 TYR 24 HD1 TYR 24 28.824 3.278 -0.885 156 HE1 TYR 24 HE2 TYR 24 27.989 0.622 -4.955 157 HE2 TYR 24 HE1 TYR 24 26.665 2.152 -1.204 158 HH TYR 24 HH TYR 24 25.289 1.245 -2.911 159 H ALA 25 H ALA 25 32.336 2.754 0.199 160 HA ALA 25 HA ALA 25 34.783 4.341 -0.046 161 1HB ALA 25 3HB ALA 25 32.892 5.108 1.401 162 2HB ALA 25 2HB ALA 25 33.146 3.684 2.413 163 3HB ALA 25 1HB ALA 25 34.411 4.909 2.279 164 H TRP 26 H TRP 26 33.846 1.133 0.407 165 HA TRP 26 HA TRP 26 36.045 0.334 2.127 166 1HB TRP 26 2HB TRP 26 34.190 -0.853 2.674 167 2HB TRP 26 1HB TRP 26 33.550 -0.766 1.058 168 HD1 TRP 26 1HD TRP 26 33.312 -2.989 0.059 169 HE1 TRP 26 1HE TRP 26 34.623 -5.152 0.117 170 HE3 TRP 26 3HE TRP 26 37.186 -1.603 3.032 171 HZ2 TRP 26 2HZ TRP 26 36.992 -6.206 1.211 172 HZ3 TRP 26 3HZ TRP 26 38.968 -3.227 3.555 173 HH2 TRP 26 HH2 TRP 26 38.876 -5.510 2.644 174 H ALA 27 H ALA 27 34.906 -0.061 -1.187 175 HA ALA 27 HA ALA 27 37.042 -1.722 -2.014 176 1HB ALA 27 1HB ALA 27 34.788 -0.294 -3.286 177 2HB ALA 27 3HB ALA 27 36.194 -0.539 -4.327 178 3HB ALA 27 2HB ALA 27 35.403 -1.925 -3.575 179 H MET 28 H MET 28 36.475 1.771 -2.212 180 HA MET 28 HA MET 28 38.844 2.393 -3.636 181 1HB MET 28 2HB MET 28 36.696 3.857 -2.293 182 2HB MET 28 1HB MET 28 38.255 4.638 -2.115 183 1HG MET 28 2HG MET 28 36.817 5.314 -4.133 184 2HG MET 28 1HG MET 28 38.504 4.949 -4.442 185 1HE MET 28 2HE MET 28 37.994 5.004 -6.732 186 2HE MET 28 1HE MET 28 38.781 3.449 -7.002 187 3HE MET 28 3HE MET 28 37.184 3.767 -7.694 188 H VAL 29 H VAL 29 38.046 2.078 -0.238 189 HA VAL 29 HA VAL 29 40.271 3.208 0.961 190 HB VAL 29 HB VAL 29 38.128 1.427 1.684 191 1HG1 VAL 29 3HG1 VAL 29 39.866 -0.266 2.059 192 2HG1 VAL 29 2HG1 VAL 29 40.723 0.855 3.119 193 3HG1 VAL 29 1HG1 VAL 29 39.124 0.260 3.571 194 1HG2 VAL 29 1HG2 VAL 29 39.705 3.630 2.833 195 2HG2 VAL 29 3HG2 VAL 29 37.959 3.373 2.802 196 3HG2 VAL 29 2HG2 VAL 29 38.953 2.540 4.000 197 H VAL 30 H VAL 30 39.877 -0.056 -0.367 198 HA VAL 30 HA VAL 30 42.350 -1.115 0.380 199 HB VAL 30 HB VAL 30 40.628 -1.666 -2.034 200 1HG1 VAL 30 3HG1 VAL 30 42.856 -3.286 -0.819 201 2HG1 VAL 30 2HG1 VAL 30 41.770 -3.842 -2.093 202 3HG1 VAL 30 1HG1 VAL 30 42.870 -2.495 -2.394 203 1HG2 VAL 30 2HG2 VAL 30 40.379 -2.295 0.784 204 2HG2 VAL 30 1HG2 VAL 30 39.214 -2.509 -0.525 205 3HG2 VAL 30 3HG2 VAL 30 40.424 -3.755 -0.208 206 H VAL 31 H VAL 31 41.479 1.159 -2.101 207 HA VAL 31 HA VAL 31 43.957 0.867 -3.559 208 HB VAL 31 HB VAL 31 41.662 2.802 -3.786 209 1HG1 VAL 31 3HG1 VAL 31 44.152 2.493 -5.437 210 2HG1 VAL 31 2HG1 VAL 31 42.688 3.256 -6.060 211 3HG1 VAL 31 1HG1 VAL 31 43.520 3.947 -4.666 212 1HG2 VAL 31 2HG2 VAL 31 41.103 0.483 -4.350 213 2HG2 VAL 31 1HG2 VAL 31 41.094 1.507 -5.788 214 3HG2 VAL 31 3HG2 VAL 31 42.457 0.428 -5.482 215 H ILE 32 H ILE 32 42.888 2.558 -0.815 216 HA ILE 32 HA ILE 32 44.718 4.794 -1.106 217 HB ILE 32 HB ILE 32 42.982 3.926 1.202 218 1HG1 ILE 32 2HG1 ILE 32 42.613 6.015 -0.950 219 2HG1 ILE 32 1HG1 ILE 32 41.653 4.559 -0.711 220 1HG2 ILE 32 1HG2 ILE 32 45.120 5.816 1.087 221 2HG2 ILE 32 3HG2 ILE 32 43.600 6.689 1.294 222 3HG2 ILE 32 2HG2 ILE 32 44.058 5.430 2.443 223 1HD1 ILE 32 1HD1 ILE 32 41.229 5.592 1.672 224 2HD1 ILE 32 3HD1 ILE 32 41.670 7.100 0.870 225 3HD1 ILE 32 2HD1 ILE 32 40.299 6.156 0.281 226 H VAL 33 H VAL 33 44.447 1.836 0.828 227 HA VAL 33 HA VAL 33 46.898 2.287 2.252 228 HB VAL 33 HB VAL 33 45.035 -0.064 1.952 229 1HG1 VAL 33 3HG1 VAL 33 47.320 -0.831 2.393 230 2HG1 VAL 33 2HG1 VAL 33 47.379 0.204 3.821 231 3HG1 VAL 33 1HG1 VAL 33 46.238 -1.141 3.749 232 1HG2 VAL 33 3HG2 VAL 33 44.209 1.943 3.174 233 2HG2 VAL 33 2HG2 VAL 33 44.303 0.491 4.173 234 3HG2 VAL 33 1HG2 VAL 33 45.540 1.743 4.315 235 H GLY 34 H GLY 34 45.829 0.462 -0.573 236 1HA GLY 34 2HA GLY 34 48.039 -1.159 -1.035 237 2HA GLY 34 1HA GLY 34 47.016 -0.485 -2.305 238 H ALA 35 H ALA 35 47.629 2.277 -1.474 239 HA ALA 35 HA ALA 35 49.800 2.811 -3.185 240 1HB ALA 35 2HB ALA 35 48.240 4.397 -1.185 241 2HB ALA 35 1HB ALA 35 49.720 5.082 -1.859 242 3HB ALA 35 3HB ALA 35 48.391 4.631 -2.928 243 H THR 36 H THR 36 49.598 2.095 0.211 244 HA THR 36 HA THR 36 52.202 3.034 0.934 245 HB THR 36 HB THR 36 50.098 2.454 2.405 246 HG1 THR 36 HG1 THR 36 52.829 2.165 3.012 247 1HG2 THR 36 2HG2 THR 36 50.358 -0.043 1.642 248 2HG2 THR 36 1HG2 THR 36 51.588 -0.096 2.905 249 3HG2 THR 36 3HG2 THR 36 49.924 0.331 3.310 250 H ILE 37 H ILE 37 50.876 0.015 -0.245 251 HA ILE 37 HA ILE 37 53.107 -1.650 0.203 252 HB ILE 37 HB ILE 37 50.965 -1.767 -1.912 253 1HG1 ILE 37 2HG1 ILE 37 51.234 -3.038 0.797 254 2HG1 ILE 37 1HG1 ILE 37 50.018 -1.876 0.285 255 1HG2 ILE 37 3HG2 ILE 37 52.967 -3.075 -2.533 256 2HG2 ILE 37 2HG2 ILE 37 52.835 -3.954 -1.007 257 3HG2 ILE 37 1HG2 ILE 37 51.559 -4.093 -2.219 258 1HD1 ILE 37 3HD1 ILE 37 49.424 -3.684 -1.507 259 2HD1 ILE 37 2HD1 ILE 37 50.276 -4.783 -0.420 260 3HD1 ILE 37 1HD1 ILE 37 48.861 -3.897 0.152 261 H GLY 38 H GLY 38 52.425 0.771 -2.188 262 1HA GLY 38 2HA GLY 38 54.388 -0.052 -4.114 263 2HA GLY 38 1HA GLY 38 53.569 1.511 -4.051 264 H ILE 39 H ILE 39 54.361 1.956 -1.262 265 HA ILE 39 HA ILE 39 57.061 2.962 -1.794 266 HB ILE 39 HB ILE 39 55.634 3.442 0.778 267 1HG1 ILE 39 2HG1 ILE 39 53.839 3.892 -0.703 268 2HG1 ILE 39 1HG1 ILE 39 54.533 5.434 -0.259 269 1HG2 ILE 39 1HG2 ILE 39 57.983 4.277 0.009 270 2HG2 ILE 39 3HG2 ILE 39 57.042 5.488 -0.864 271 3HG2 ILE 39 2HG2 ILE 39 56.895 5.354 0.889 272 1HD1 ILE 39 3HD1 ILE 39 55.858 5.332 -2.418 273 2HD1 ILE 39 2HD1 ILE 39 54.827 3.972 -2.876 274 3HD1 ILE 39 1HD1 ILE 39 54.119 5.559 -2.585 275 H LYS 40 H LYS 40 55.295 0.911 0.434 276 HA LYS 40 HA LYS 40 57.358 0.250 2.196 277 1HB LYS 40 2HB LYS 40 54.765 -0.308 2.127 278 2HB LYS 40 1HB LYS 40 55.354 -1.805 1.415 279 1HG LYS 40 2HG LYS 40 55.624 -2.493 3.535 280 2HG LYS 40 1HG LYS 40 57.038 -1.444 3.559 281 1HD LYS 40 2HD LYS 40 54.349 -0.272 4.134 282 2HD LYS 40 1HD LYS 40 55.146 -1.216 5.391 283 1HE LYS 40 2HE LYS 40 56.019 1.373 4.121 284 2HE LYS 40 1HE LYS 40 55.836 0.990 5.831 285 1HZ LYS 40 2HZ LYS 40 57.705 -0.720 5.297 286 2HZ LYS 40 1HZ LYS 40 58.036 0.343 4.013 287 3HZ LYS 40 3HZ LYS 40 58.082 0.906 5.612 288 H LEU 41 H LEU 41 56.369 -1.177 -0.879 289 HA LEU 41 HA LEU 41 58.185 -3.343 -0.889 290 1HB LEU 41 2HB LEU 41 56.605 -1.880 -2.962 291 2HB LEU 41 1HB LEU 41 57.834 -3.026 -3.480 292 HG LEU 41 HG LEU 41 55.483 -3.594 -1.669 293 1HD1 LEU 41 3HD1 LEU 41 56.094 -4.278 -4.531 294 2HD1 LEU 41 2HD1 LEU 41 54.912 -5.182 -3.581 295 3HD1 LEU 41 1HD1 LEU 41 54.678 -3.456 -3.872 296 1HD2 LEU 41 1HD2 LEU 41 57.939 -5.149 -2.248 297 2HD2 LEU 41 3HD2 LEU 41 56.884 -5.173 -0.833 298 3HD2 LEU 41 2HD2 LEU 41 56.417 -6.038 -2.297 299 H PHE 42 H PHE 42 58.407 -0.030 -2.109 300 HA PHE 42 HA PHE 42 60.863 -0.209 -3.441 301 1HB PHE 42 2HB PHE 42 59.108 1.703 -3.319 302 2HB PHE 42 1HB PHE 42 60.044 2.241 -1.932 303 HD1 PHE 42 HD1 PHE 42 62.573 2.577 -2.287 304 HD2 PHE 42 HD2 PHE 42 59.749 2.286 -5.476 305 HE1 PHE 42 HE1 PHE 42 64.170 3.684 -3.802 306 HE2 PHE 42 HE2 PHE 42 61.346 3.393 -6.991 307 HZ PHE 42 HZ PHE 42 63.558 4.092 -6.154 308 H LYS 43 H LYS 43 60.107 0.139 -0.040 309 HA LYS 43 HA LYS 43 62.813 0.805 0.708 310 1HB LYS 43 2HB LYS 43 60.382 0.083 2.330 311 2HB LYS 43 1HB LYS 43 61.930 0.545 3.037 312 1HG LYS 43 2HG LYS 43 60.769 2.349 0.961 313 2HG LYS 43 1HG LYS 43 59.984 2.330 2.527 314 1HD LYS 43 2HD LYS 43 61.657 3.455 3.543 315 2HD LYS 43 1HD LYS 43 62.916 2.583 2.678 316 1HE LYS 43 2HE LYS 43 62.407 5.184 2.276 317 2HE LYS 43 1HE LYS 43 63.030 4.133 1.010 318 1HZ LYS 43 1HZ LYS 43 60.126 4.385 1.376 319 2HZ LYS 43 3HZ LYS 43 60.970 5.627 0.585 320 3HZ LYS 43 2HZ LYS 43 61.010 4.045 -0.033 321 H LYS 44 H LYS 44 61.441 -2.053 -0.272 322 HA LYS 44 HA LYS 44 63.050 -3.684 1.573 323 1HB LYS 44 2HB LYS 44 60.669 -4.253 1.394 324 2HB LYS 44 1HB LYS 44 60.843 -4.495 -0.333 325 1HG LYS 44 2HG LYS 44 62.825 -6.057 1.018 326 2HG LYS 44 1HG LYS 44 61.247 -6.374 1.741 327 1HD LYS 44 2HD LYS 44 60.587 -6.398 -0.897 328 2HD LYS 44 1HD LYS 44 62.241 -6.996 -0.991 329 1HE LYS 44 2HE LYS 44 60.266 -8.710 -0.708 330 2HE LYS 44 1HE LYS 44 61.763 -8.950 0.187 331 1HZ LYS 44 1HZ LYS 44 59.580 -7.394 1.399 332 2HZ LYS 44 3HZ LYS 44 59.493 -9.087 1.387 333 3HZ LYS 44 2HZ LYS 44 60.796 -8.312 2.149 334 H PHE 45 H PHE 45 62.224 -3.475 -1.886 335 HA PHE 45 HA PHE 45 64.146 -5.250 -2.865 336 1HB PHE 45 2HB PHE 45 62.587 -2.969 -3.967 337 2HB PHE 45 1HB PHE 45 63.940 -3.560 -4.900 338 HD1 PHE 45 HD1 PHE 45 64.002 -6.009 -5.590 339 HD2 PHE 45 HD2 PHE 45 60.508 -4.173 -3.911 340 HE1 PHE 45 HE1 PHE 45 62.608 -7.839 -6.453 341 HE2 PHE 45 HE2 PHE 45 59.134 -6.012 -4.782 342 HZ PHE 45 HZ PHE 45 60.179 -7.845 -6.051 343 H THR 46 H THR 46 64.360 -1.849 -2.019 344 HA THR 46 HA THR 46 67.045 -1.586 -3.059 345 HB THR 46 HB THR 46 66.857 0.695 -2.303 346 HG1 THR 46 HG1 THR 46 65.768 0.445 -0.372 347 1HG2 THR 46 1HG2 THR 46 65.111 -0.564 -4.142 348 2HG2 THR 46 3HG2 THR 46 64.183 0.678 -3.298 349 3HG2 THR 46 2HG2 THR 46 65.670 1.112 -4.144 350 H SER 47 H SER 47 66.012 -3.233 -0.512 351 HA SER 47 HA SER 47 67.797 -2.160 1.522 352 1HB SER 47 2HB SER 47 65.487 -3.239 1.926 353 2HB SER 47 1HB SER 47 66.314 -4.771 1.671 354 HG SER 47 HG SER 47 66.174 -3.824 3.925 355 H LYS 48 H LYS 48 67.568 -4.881 -0.695 356 HA LYS 48 HA LYS 48 69.530 -6.574 0.168 357 1HB LYS 48 2HB LYS 48 68.594 -5.770 -2.560 358 2HB LYS 48 1HB LYS 48 69.975 -6.846 -2.407 359 1HG LYS 48 2HG LYS 48 68.509 -8.364 -1.001 360 2HG LYS 48 1HG LYS 48 67.151 -7.316 -1.418 361 1HD LYS 48 2HD LYS 48 68.880 -8.901 -3.318 362 2HD LYS 48 1HD LYS 48 67.194 -9.215 -2.912 363 1HE LYS 48 2HE LYS 48 66.948 -6.687 -3.755 364 2HE LYS 48 1HE LYS 48 68.372 -7.140 -4.687 365 1HZ LYS 48 2HZ LYS 48 66.551 -9.230 -4.888 366 2HZ LYS 48 1HZ LYS 48 65.678 -7.797 -5.152 367 3HZ LYS 48 3HZ LYS 48 67.035 -8.148 -6.106 368 H ALA 49 H ALA 49 70.026 -3.878 -2.099 369 HA ALA 49 HA ALA 49 71.877 -2.674 -2.658 370 1HB ALA 49 2HB ALA 49 71.659 -2.090 -0.221 371 2HB ALA 49 1HB ALA 49 72.849 -3.349 0.119 372 3HB ALA 49 3HB ALA 49 73.297 -1.954 -0.865 373 H SER 50 H SER 50 74.483 -2.822 -2.381 374 HA SER 50 HA SER 50 76.376 -3.934 -3.041 375 1HB SER 50 2HB SER 50 76.365 -5.284 -1.145 376 2HB SER 50 1HB SER 50 74.862 -6.081 -1.598 377 HG SER 50 HG SER 50 77.486 -6.592 -2.403 No H/Q in entry = 377 Start of MODEL 22 1 1H ALA 1 3H ALA 1 45.345 -26.769 -9.295 2 2H ALA 1 2H ALA 1 46.190 -27.264 -10.684 3 3H ALA 1 1H ALA 1 44.547 -27.657 -10.500 4 HA ALA 1 HA ALA 1 44.931 -29.265 -8.936 5 1HB ALA 1 1HB ALA 1 45.893 -29.910 -11.156 6 2HB ALA 1 3HB ALA 1 47.463 -29.317 -10.609 7 3HB ALA 1 2HB ALA 1 46.714 -30.697 -9.802 8 H GLU 2 H GLU 2 45.203 -27.986 -7.004 9 HA GLU 2 HA GLU 2 47.360 -28.680 -5.438 10 1HB GLU 2 2HB GLU 2 48.467 -26.372 -5.265 11 2HB GLU 2 1HB GLU 2 48.880 -27.371 -6.656 12 1HG GLU 2 2HG GLU 2 46.558 -25.790 -7.267 13 2HG GLU 2 1HG GLU 2 47.845 -24.744 -6.665 14 H GLY 3 H GLY 3 46.613 -28.512 -3.440 15 1HA GLY 3 2HA GLY 3 45.586 -27.670 -1.557 16 2HA GLY 3 1HA GLY 3 45.343 -26.156 -2.424 17 H ASP 4 H ASP 4 43.490 -27.679 -0.709 18 HA ASP 4 HA ASP 4 41.340 -28.199 -2.670 19 1HB ASP 4 2HB ASP 4 42.348 -29.912 -0.714 20 2HB ASP 4 1HB ASP 4 40.847 -29.287 -0.029 21 H ASP 5 H ASP 5 40.856 -25.931 -2.632 22 HA ASP 5 HA ASP 5 38.981 -25.247 -0.556 23 1HB ASP 5 2HB ASP 5 41.340 -24.489 0.174 24 2HB ASP 5 1HB ASP 5 41.171 -23.266 -1.086 25 HA PRO 6 HA PRO 6 38.009 -23.563 -4.755 26 1HB PRO 6 2HB PRO 6 35.779 -25.012 -5.242 27 2HB PRO 6 1HB PRO 6 37.409 -25.569 -5.648 28 1HG PRO 6 2HG PRO 6 35.607 -26.460 -3.504 29 2HG PRO 6 1HG PRO 6 36.947 -27.314 -4.283 30 1HD PRO 6 2HD PRO 6 36.967 -26.025 -1.752 31 2HD PRO 6 1HD PRO 6 38.340 -26.764 -2.599 32 H ALA 7 H ALA 7 36.293 -23.947 -1.791 33 HA ALA 7 HA ALA 7 33.895 -22.599 -2.327 34 1HB ALA 7 3HB ALA 7 34.845 -23.863 -0.176 35 2HB ALA 7 2HB ALA 7 35.188 -22.203 0.319 36 3HB ALA 7 1HB ALA 7 33.536 -22.684 -0.074 37 H LYS 8 H LYS 8 37.115 -21.406 -2.121 38 HA LYS 8 HA LYS 8 36.983 -18.880 -1.151 39 1HB LYS 8 2HB LYS 8 38.744 -18.302 -2.714 40 2HB LYS 8 1HB LYS 8 39.001 -19.906 -2.056 41 1HG LYS 8 2HG LYS 8 38.673 -20.930 -4.122 42 2HG LYS 8 1HG LYS 8 37.450 -19.757 -4.589 43 1HD LYS 8 2HD LYS 8 39.696 -19.741 -5.863 44 2HD LYS 8 1HD LYS 8 38.997 -18.206 -5.366 45 1HE LYS 8 2HE LYS 8 41.523 -18.582 -4.970 46 2HE LYS 8 1HE LYS 8 40.574 -17.902 -3.650 47 1HZ LYS 8 2HZ LYS 8 40.684 -20.786 -3.680 48 2HZ LYS 8 1HZ LYS 8 42.191 -20.038 -3.448 49 3HZ LYS 8 3HZ LYS 8 40.908 -19.701 -2.392 50 H ALA 9 H ALA 9 35.540 -20.054 -4.089 51 HA ALA 9 HA ALA 9 34.959 -17.466 -5.200 52 1HB ALA 9 2HB ALA 9 33.869 -20.215 -5.825 53 2HB ALA 9 1HB ALA 9 33.509 -18.759 -6.757 54 3HB ALA 9 3HB ALA 9 35.162 -19.371 -6.678 55 H ALA 10 H ALA 10 32.686 -20.016 -4.207 56 HA ALA 10 HA ALA 10 30.426 -18.452 -3.962 57 1HB ALA 10 1HB ALA 10 30.565 -20.962 -3.834 58 2HB ALA 10 3HB ALA 10 31.076 -20.781 -2.156 59 3HB ALA 10 2HB ALA 10 29.481 -20.219 -2.657 60 H PHE 11 H PHE 11 33.154 -18.644 -1.831 61 HA PHE 11 HA PHE 11 31.821 -17.513 0.462 62 1HB PHE 11 2HB PHE 11 34.311 -18.744 -0.050 63 2HB PHE 11 1HB PHE 11 34.662 -17.124 0.527 64 HD1 PHE 11 HD1 PHE 11 32.736 -20.212 1.336 65 HD2 PHE 11 HD2 PHE 11 34.488 -16.605 2.846 66 HE1 PHE 11 HE1 PHE 11 32.287 -20.947 3.639 67 HE2 PHE 11 HE2 PHE 11 34.033 -17.355 5.140 68 HZ PHE 11 HZ PHE 11 32.933 -19.522 5.540 69 H ASN 12 H ASN 12 33.874 -16.299 -2.148 70 HA ASN 12 HA ASN 12 33.875 -13.601 -1.081 71 1HB ASN 12 2HB ASN 12 35.666 -14.896 -2.579 72 2HB ASN 12 1HB ASN 12 34.728 -14.151 -3.874 73 1HD2 ASN 12 2HD2 ASN 12 37.502 -11.948 -2.348 74 2HD2 ASN 12 1HD2 ASN 12 37.474 -13.652 -2.632 75 H SER 13 H SER 13 32.560 -15.224 -3.970 76 HA SER 13 HA SER 13 31.213 -13.031 -5.062 77 1HB SER 13 2HB SER 13 29.810 -15.578 -5.366 78 2HB SER 13 1HB SER 13 30.497 -14.513 -6.591 79 HG SER 13 HG SER 13 32.378 -15.553 -6.476 80 H LEU 14 H LEU 14 30.330 -15.199 -2.463 81 HA LEU 14 HA LEU 14 27.577 -14.441 -2.346 82 1HB LEU 14 2HB LEU 14 28.301 -16.568 -1.446 83 2HB LEU 14 1HB LEU 14 29.386 -15.755 -0.322 84 HG LEU 14 HG LEU 14 27.418 -14.649 0.729 85 1HD1 LEU 14 1HD1 LEU 14 25.911 -16.311 -1.280 86 2HD1 LEU 14 3HD1 LEU 14 25.168 -15.832 0.246 87 3HD1 LEU 14 2HD1 LEU 14 25.723 -14.600 -0.887 88 1HD2 LEU 14 1HD2 LEU 14 27.612 -17.655 0.715 89 2HD2 LEU 14 3HD2 LEU 14 28.130 -16.513 1.960 90 3HD2 LEU 14 2HD2 LEU 14 26.413 -16.828 1.707 91 H GLN 15 H GLN 15 30.512 -13.427 -0.646 92 HA GLN 15 HA GLN 15 29.117 -11.585 1.076 93 1HB GLN 15 2HB GLN 15 31.206 -12.685 1.772 94 2HB GLN 15 1HB GLN 15 32.067 -11.856 0.478 95 1HG GLN 15 2HG GLN 15 31.106 -9.691 1.585 96 2HG GLN 15 1HG GLN 15 30.900 -10.727 2.999 97 1HE2 GLN 15 2HD2 GLN 15 34.168 -9.833 3.853 98 2HE2 GLN 15 1HD2 GLN 15 32.483 -9.711 4.211 99 H ALA 16 H ALA 16 30.983 -11.395 -1.911 100 HA ALA 16 HA ALA 16 30.906 -8.515 -2.021 101 1HB ALA 16 1HB ALA 16 32.178 -10.665 -3.478 102 2HB ALA 16 3HB ALA 16 31.475 -9.478 -4.579 103 3HB ALA 16 2HB ALA 16 32.639 -8.966 -3.355 104 H SER 17 H SER 17 28.513 -10.750 -2.423 105 HA SER 17 HA SER 17 27.260 -9.695 -4.796 106 1HB SER 17 2HB SER 17 26.856 -11.994 -4.245 107 2HB SER 17 1HB SER 17 26.310 -11.567 -2.628 108 HG SER 17 HG SER 17 24.722 -11.938 -4.535 109 H ALA 18 H ALA 18 25.833 -9.973 -1.560 110 HA ALA 18 HA ALA 18 24.097 -7.762 -1.914 111 1HB ALA 18 1HB ALA 18 24.386 -9.813 -0.053 112 2HB ALA 18 3HB ALA 18 24.691 -8.340 0.869 113 3HB ALA 18 2HB ALA 18 23.177 -8.528 -0.019 114 H THR 19 H THR 19 27.411 -7.967 -1.019 115 HA THR 19 HA THR 19 27.403 -5.311 0.208 116 HB THR 19 HB THR 19 29.738 -7.174 -0.227 117 HG1 THR 19 HG1 THR 19 28.077 -8.171 1.009 118 1HG2 THR 19 3HG2 THR 19 29.328 -4.888 1.717 119 2HG2 THR 19 2HG2 THR 19 30.714 -5.976 1.705 120 3HG2 THR 19 1HG2 THR 19 30.424 -4.908 0.335 121 H GLU 20 H GLU 20 26.737 -5.560 -2.572 122 HA GLU 20 HA GLU 20 29.055 -4.753 -4.100 123 1HB GLU 20 2HB GLU 20 26.492 -5.808 -4.666 124 2HB GLU 20 1HB GLU 20 26.583 -4.236 -5.448 125 1HG GLU 20 2HG GLU 20 28.424 -6.603 -5.837 126 2HG GLU 20 1HG GLU 20 27.381 -5.833 -7.030 127 H TYR 21 H TYR 21 27.036 -3.207 -1.975 128 HA TYR 21 HA TYR 21 27.139 -0.626 -3.363 129 1HB TYR 21 2HB TYR 21 25.550 -1.727 -1.084 130 2HB TYR 21 1HB TYR 21 25.784 0.010 -1.212 131 HD1 TYR 21 HD2 TYR 21 24.920 1.234 -3.199 132 HD2 TYR 21 HD1 TYR 21 24.098 -2.915 -2.571 133 HE1 TYR 21 HE2 TYR 21 23.090 1.342 -4.843 134 HE2 TYR 21 HE1 TYR 21 22.271 -2.794 -4.218 135 HH TYR 21 HH TYR 21 20.884 -1.311 -5.328 136 H ILE 22 H ILE 22 28.613 -2.432 -0.832 137 HA ILE 22 HA ILE 22 29.719 -0.114 0.515 138 HB ILE 22 HB ILE 22 30.046 -3.095 0.864 139 1HG1 ILE 22 2HG1 ILE 22 27.885 -1.885 1.571 140 2HG1 ILE 22 1HG1 ILE 22 28.660 -2.931 2.773 141 1HG2 ILE 22 3HG2 ILE 22 31.817 -1.024 1.799 142 2HG2 ILE 22 2HG2 ILE 22 31.044 -1.809 3.175 143 3HG2 ILE 22 1HG2 ILE 22 31.956 -2.775 2.010 144 1HD1 ILE 22 1HD1 ILE 22 29.797 -0.392 3.176 145 2HD1 ILE 22 3HD1 ILE 22 28.076 -0.104 2.917 146 3HD1 ILE 22 2HD1 ILE 22 28.607 -1.209 4.183 147 H GLY 23 H GLY 23 30.884 -2.727 -1.579 148 1HA GLY 23 2HA GLY 23 33.566 -2.440 -1.558 149 2HA GLY 23 1HA GLY 23 32.668 -2.805 -3.004 150 H TYR 24 H TYR 24 31.375 -0.321 -3.424 151 HA TYR 24 HA TYR 24 33.364 1.059 -4.794 152 1HB TYR 24 2HB TYR 24 30.706 2.087 -3.801 153 2HB TYR 24 1HB TYR 24 31.740 2.935 -4.939 154 HD1 TYR 24 HD2 TYR 24 32.539 1.443 -6.994 155 HD2 TYR 24 HD1 TYR 24 28.995 0.738 -4.695 156 HE1 TYR 24 HE2 TYR 24 31.565 0.169 -8.862 157 HE2 TYR 24 HE1 TYR 24 28.044 -0.531 -6.567 158 HH TYR 24 HH TYR 24 29.460 -1.890 -8.793 159 H ALA 25 H ALA 25 32.069 1.676 -1.552 160 HA ALA 25 HA ALA 25 34.029 3.810 -1.140 161 1HB ALA 25 2HB ALA 25 31.652 2.804 0.399 162 2HB ALA 25 1HB ALA 25 32.845 3.862 1.155 163 3HB ALA 25 3HB ALA 25 31.944 4.416 -0.258 164 H TRP 26 H TRP 26 33.708 0.449 -0.678 165 HA TRP 26 HA TRP 26 35.439 0.273 1.641 166 1HB TRP 26 2HB TRP 26 33.739 -1.217 1.753 167 2HB TRP 26 1HB TRP 26 33.683 -1.448 0.035 168 HD1 TRP 26 1HD TRP 26 34.151 -3.791 -0.506 169 HE1 TRP 26 1HE TRP 26 35.712 -5.565 0.353 170 HE3 TRP 26 3HE TRP 26 36.620 -1.161 3.076 171 HZ2 TRP 26 2HZ TRP 26 37.775 -5.904 2.232 172 HZ3 TRP 26 3HZ TRP 26 38.401 -2.263 4.380 173 HH2 TRP 26 HH2 TRP 26 38.983 -4.614 3.953 174 H ALA 27 H ALA 27 35.623 0.081 -1.802 175 HA ALA 27 HA ALA 27 38.152 -1.332 -1.755 176 1HB ALA 27 2HB ALA 27 36.270 -0.385 -3.878 177 2HB ALA 27 1HB ALA 27 37.959 -0.651 -4.318 178 3HB ALA 27 3HB ALA 27 37.004 -1.974 -3.649 179 H MET 28 H MET 28 37.018 1.882 -2.845 180 HA MET 28 HA MET 28 39.418 3.019 -3.557 181 1HB MET 28 2HB MET 28 36.791 3.972 -2.818 182 2HB MET 28 1HB MET 28 38.015 5.015 -2.115 183 1HG MET 28 2HG MET 28 37.165 5.656 -4.431 184 2HG MET 28 1HG MET 28 38.908 5.587 -4.238 185 1HE MET 28 2HE MET 28 37.617 5.922 -6.684 186 2HE MET 28 1HE MET 28 38.356 4.784 -7.810 187 3HE MET 28 3HE MET 28 36.652 4.612 -7.365 188 H VAL 29 H VAL 29 38.184 2.295 -0.400 189 HA VAL 29 HA VAL 29 40.049 3.839 1.111 190 HB VAL 29 HB VAL 29 37.821 2.073 1.565 191 1HG1 VAL 29 1HG1 VAL 29 40.260 1.481 3.212 192 2HG1 VAL 29 3HG1 VAL 29 38.632 1.278 3.864 193 3HG1 VAL 29 2HG1 VAL 29 39.135 0.356 2.444 194 1HG2 VAL 29 1HG2 VAL 29 38.963 4.483 2.596 195 2HG2 VAL 29 3HG2 VAL 29 37.306 3.886 2.719 196 3HG2 VAL 29 2HG2 VAL 29 38.502 3.425 3.932 197 H VAL 30 H VAL 30 39.917 0.479 -0.004 198 HA VAL 30 HA VAL 30 42.302 -0.390 1.239 199 HB VAL 30 HB VAL 30 40.866 -1.412 -1.207 200 1HG1 VAL 30 3HG1 VAL 30 43.325 -2.196 0.057 201 2HG1 VAL 30 2HG1 VAL 30 42.140 -3.500 0.134 202 3HG1 VAL 30 1HG1 VAL 30 42.583 -2.800 -1.424 203 1HG2 VAL 30 1HG2 VAL 30 39.803 -1.245 1.252 204 2HG2 VAL 30 3HG2 VAL 30 39.455 -2.573 0.143 205 3HG2 VAL 30 2HG2 VAL 30 40.664 -2.777 1.412 206 H VAL 31 H VAL 31 41.578 0.769 -2.050 207 HA VAL 31 HA VAL 31 44.061 0.454 -3.212 208 HB VAL 31 HB VAL 31 42.082 2.686 -3.612 209 1HG1 VAL 31 1HG1 VAL 31 44.649 2.397 -4.653 210 2HG1 VAL 31 3HG1 VAL 31 43.564 1.880 -5.944 211 3HG1 VAL 31 2HG1 VAL 31 43.380 3.482 -5.225 212 1HG2 VAL 31 3HG2 VAL 31 42.363 0.015 -5.003 213 2HG2 VAL 31 2HG2 VAL 31 41.063 0.486 -3.905 214 3HG2 VAL 31 1HG2 VAL 31 41.239 1.295 -5.463 215 H ILE 32 H ILE 32 42.959 2.774 -0.912 216 HA ILE 32 HA ILE 32 45.140 4.616 -1.211 217 HB ILE 32 HB ILE 32 42.996 4.225 0.865 218 1HG1 ILE 32 2HG1 ILE 32 43.526 6.469 -1.084 219 2HG1 ILE 32 1HG1 ILE 32 42.386 5.154 -1.351 220 1HG2 ILE 32 1HG2 ILE 32 45.230 6.252 0.860 221 2HG2 ILE 32 3HG2 ILE 32 43.741 6.441 1.790 222 3HG2 ILE 32 2HG2 ILE 32 44.826 5.090 2.126 223 1HD1 ILE 32 3HD1 ILE 32 41.873 6.315 1.219 224 2HD1 ILE 32 2HD1 ILE 32 41.938 7.600 0.009 225 3HD1 ILE 32 1HD1 ILE 32 40.815 6.253 -0.193 226 H VAL 33 H VAL 33 44.502 1.729 0.633 227 HA VAL 33 HA VAL 33 46.775 2.045 2.389 228 HB VAL 33 HB VAL 33 44.723 -0.100 1.893 229 1HG1 VAL 33 1HG1 VAL 33 47.143 -0.209 3.668 230 2HG1 VAL 33 3HG1 VAL 33 45.725 -1.230 3.912 231 3HG1 VAL 33 2HG1 VAL 33 46.651 -1.348 2.415 232 1HG2 VAL 33 3HG2 VAL 33 44.272 2.064 3.218 233 2HG2 VAL 33 2HG2 VAL 33 43.803 0.524 3.942 234 3HG2 VAL 33 1HG2 VAL 33 45.281 1.334 4.468 235 H GLY 34 H GLY 34 46.018 0.615 -0.690 236 1HA GLY 34 2HA GLY 34 48.188 -1.222 -0.835 237 2HA GLY 34 1HA GLY 34 47.273 -0.583 -2.206 238 H ALA 35 H ALA 35 47.777 2.182 -1.591 239 HA ALA 35 HA ALA 35 50.097 2.672 -3.064 240 1HB ALA 35 2HB ALA 35 48.297 4.280 -1.334 241 2HB ALA 35 1HB ALA 35 49.890 4.961 -1.675 242 3HB ALA 35 3HB ALA 35 48.800 4.555 -3.003 243 H THR 36 H THR 36 49.565 2.238 0.360 244 HA THR 36 HA THR 36 52.130 3.095 1.267 245 HB THR 36 HB THR 36 49.927 1.403 2.437 246 HG1 THR 36 HG1 THR 36 49.767 3.229 3.796 247 1HG2 THR 36 1HG2 THR 36 52.653 1.956 3.586 248 2HG2 THR 36 3HG2 THR 36 51.252 1.688 4.625 249 3HG2 THR 36 2HG2 THR 36 51.776 0.426 3.508 250 H ILE 37 H ILE 37 50.754 -0.046 0.369 251 HA ILE 37 HA ILE 37 53.010 -1.624 0.999 252 HB ILE 37 HB ILE 37 50.891 -2.048 -1.099 253 1HG1 ILE 37 2HG1 ILE 37 51.081 -2.952 1.760 254 2HG1 ILE 37 1HG1 ILE 37 49.930 -1.795 1.105 255 1HG2 ILE 37 2HG2 ILE 37 52.912 -3.426 -1.449 256 2HG2 ILE 37 1HG2 ILE 37 52.735 -4.056 0.190 257 3HG2 ILE 37 3HG2 ILE 37 51.498 -4.392 -1.022 258 1HD1 ILE 37 2HD1 ILE 37 49.536 -3.966 -0.522 259 2HD1 ILE 37 1HD1 ILE 37 49.900 -4.733 1.026 260 3HD1 ILE 37 3HD1 ILE 37 48.564 -3.586 0.901 261 H GLY 38 H GLY 38 52.314 0.544 -1.602 262 1HA GLY 38 2HA GLY 38 54.243 -0.493 -3.464 263 2HA GLY 38 1HA GLY 38 53.403 1.055 -3.571 264 H ILE 39 H ILE 39 54.277 1.702 -0.775 265 HA ILE 39 HA ILE 39 56.898 2.785 -1.508 266 HB ILE 39 HB ILE 39 55.594 3.319 1.119 267 1HG1 ILE 39 2HG1 ILE 39 53.715 3.662 -0.271 268 2HG1 ILE 39 1HG1 ILE 39 54.390 5.241 0.053 269 1HG2 ILE 39 1HG2 ILE 39 57.857 4.192 0.385 270 2HG2 ILE 39 3HG2 ILE 39 56.972 5.214 -0.751 271 3HG2 ILE 39 2HG2 ILE 39 56.699 5.383 0.984 272 1HD1 ILE 39 2HD1 ILE 39 55.593 5.065 -2.168 273 2HD1 ILE 39 1HD1 ILE 39 54.587 3.651 -2.499 274 3HD1 ILE 39 3HD1 ILE 39 53.841 5.229 -2.252 275 H LYS 40 H LYS 40 55.358 0.743 0.890 276 HA LYS 40 HA LYS 40 57.593 0.250 2.509 277 1HB LYS 40 2HB LYS 40 54.997 -0.401 2.656 278 2HB LYS 40 1HB LYS 40 55.635 -1.924 2.059 279 1HG LYS 40 2HG LYS 40 56.026 -2.363 4.233 280 2HG LYS 40 1HG LYS 40 57.415 -1.296 4.041 281 1HD LYS 40 2HD LYS 40 54.696 -0.219 4.739 282 2HD LYS 40 1HD LYS 40 55.772 -0.838 5.989 283 1HE LYS 40 2HE LYS 40 56.250 1.492 4.112 284 2HE LYS 40 1HE LYS 40 56.109 1.537 5.868 285 1HZ LYS 40 2HZ LYS 40 58.133 0.093 5.928 286 2HZ LYS 40 1HZ LYS 40 58.326 0.403 4.270 287 3HZ LYS 40 3HZ LYS 40 58.383 1.681 5.381 288 H LEU 41 H LEU 41 56.277 -1.489 -0.282 289 HA LEU 41 HA LEU 41 58.257 -3.506 -0.397 290 1HB LEU 41 2HB LEU 41 56.367 -2.344 -2.435 291 2HB LEU 41 1HB LEU 41 57.478 -3.648 -2.831 292 HG LEU 41 HG LEU 41 55.325 -3.692 -0.715 293 1HD1 LEU 41 3HD1 LEU 41 55.593 -5.048 -3.391 294 2HD1 LEU 41 2HD1 LEU 41 54.425 -5.546 -2.165 295 3HD1 LEU 41 1HD1 LEU 41 54.337 -3.927 -2.862 296 1HD2 LEU 41 3HD2 LEU 41 57.565 -5.583 -1.305 297 2HD2 LEU 41 2HD2 LEU 41 56.887 -5.086 0.248 298 3HD2 LEU 41 1HD2 LEU 41 56.011 -6.227 -0.773 299 H PHE 42 H PHE 42 57.949 -0.340 -1.959 300 HA PHE 42 HA PHE 42 60.082 -0.351 -3.701 301 1HB PHE 42 2HB PHE 42 58.470 1.492 -3.466 302 2HB PHE 42 1HB PHE 42 59.204 1.928 -1.930 303 HD1 PHE 42 HD2 PHE 42 61.382 2.988 -1.842 304 HD2 PHE 42 HD1 PHE 42 59.594 1.929 -5.572 305 HE1 PHE 42 HE2 PHE 42 63.011 4.409 -3.027 306 HE2 PHE 42 HE1 PHE 42 61.223 3.351 -6.755 307 HZ PHE 42 HZ PHE 42 62.931 4.590 -5.483 308 H LYS 43 H LYS 43 60.095 0.370 -0.239 309 HA LYS 43 HA LYS 43 62.835 1.009 -0.042 310 1HB LYS 43 2HB LYS 43 60.875 0.005 2.014 311 2HB LYS 43 1HB LYS 43 62.494 0.583 2.403 312 1HG LYS 43 2HG LYS 43 60.768 2.348 0.722 313 2HG LYS 43 1HG LYS 43 60.339 2.198 2.414 314 1HD LYS 43 2HD LYS 43 62.097 3.429 3.120 315 2HD LYS 43 1HD LYS 43 63.206 2.716 1.957 316 1HE LYS 43 2HE LYS 43 62.422 5.268 1.826 317 2HE LYS 43 1HE LYS 43 62.816 4.329 0.390 318 1HZ LYS 43 3HZ LYS 43 60.061 4.327 1.422 319 2HZ LYS 43 2HZ LYS 43 60.612 5.652 0.514 320 3HZ LYS 43 1HZ LYS 43 60.615 4.095 -0.163 321 H LYS 44 H LYS 44 61.218 -2.008 -0.385 322 HA LYS 44 HA LYS 44 63.370 -3.567 0.792 323 1HB LYS 44 2HB LYS 44 61.026 -4.306 0.989 324 2HB LYS 44 1HB LYS 44 60.924 -4.459 -0.753 325 1HG LYS 44 2HG LYS 44 63.215 -5.913 0.190 326 2HG LYS 44 1HG LYS 44 61.786 -6.402 1.104 327 1HD LYS 44 2HD LYS 44 60.755 -6.339 -1.410 328 2HD LYS 44 1HD LYS 44 62.419 -6.781 -1.777 329 1HE LYS 44 2HE LYS 44 60.667 -8.684 -1.345 330 2HE LYS 44 1HE LYS 44 62.283 -8.830 -0.663 331 1HZ LYS 44 3HZ LYS 44 60.118 -7.570 0.891 332 2HZ LYS 44 2HZ LYS 44 60.247 -9.262 0.816 333 3HZ LYS 44 1HZ LYS 44 61.526 -8.337 1.444 334 H PHE 45 H PHE 45 61.909 -3.248 -2.451 335 HA PHE 45 HA PHE 45 63.835 -4.761 -3.845 336 1HB PHE 45 2HB PHE 45 61.779 -2.728 -4.549 337 2HB PHE 45 1HB PHE 45 63.038 -3.047 -5.721 338 HD1 PHE 45 HD1 PHE 45 63.379 -5.399 -6.589 339 HD2 PHE 45 HD2 PHE 45 59.981 -4.301 -4.216 340 HE1 PHE 45 HE1 PHE 45 62.190 -7.416 -7.334 341 HE2 PHE 45 HE2 PHE 45 58.811 -6.321 -4.974 342 HZ PHE 45 HZ PHE 45 59.911 -7.879 -6.530 343 H THR 46 H THR 46 63.831 -1.502 -2.639 344 HA THR 46 HA THR 46 66.217 -0.783 -4.152 345 HB THR 46 HB THR 46 65.869 1.408 -3.210 346 HG1 THR 46 HG1 THR 46 65.128 1.200 -1.208 347 1HG2 THR 46 1HG2 THR 46 63.773 -0.043 -4.636 348 2HG2 THR 46 3HG2 THR 46 63.179 1.388 -3.787 349 3HG2 THR 46 2HG2 THR 46 64.479 1.541 -4.971 350 H SER 47 H SER 47 65.971 -2.824 -1.880 351 HA SER 47 HA SER 47 68.507 -2.433 -0.702 352 1HB SER 47 2HB SER 47 67.215 -0.787 0.651 353 2HB SER 47 1HB SER 47 66.125 -2.081 1.137 354 HG SER 47 HG SER 47 67.549 -2.550 2.625 355 H LYS 48 H LYS 48 67.567 -4.416 -2.169 356 HA LYS 48 HA LYS 48 66.099 -6.476 -1.179 357 1HB LYS 48 2HB LYS 48 68.669 -6.910 -2.664 358 2HB LYS 48 1HB LYS 48 67.195 -7.871 -2.733 359 1HG LYS 48 2HG LYS 48 66.108 -5.701 -3.629 360 2HG LYS 48 1HG LYS 48 67.766 -5.202 -3.960 361 1HD LYS 48 2HD LYS 48 68.088 -7.294 -5.268 362 2HD LYS 48 1HD LYS 48 66.396 -7.695 -4.999 363 1HE LYS 48 2HE LYS 48 66.438 -5.060 -6.038 364 2HE LYS 48 1HE LYS 48 67.561 -6.003 -7.011 365 1HZ LYS 48 1HZ LYS 48 64.900 -7.084 -6.379 366 2HZ LYS 48 3HZ LYS 48 65.074 -5.947 -7.624 367 3HZ LYS 48 2HZ LYS 48 65.913 -7.422 -7.699 368 H ALA 49 H ALA 49 69.558 -5.896 -0.621 369 HA ALA 49 HA ALA 49 70.334 -8.096 0.746 370 1HB ALA 49 2HB ALA 49 70.992 -5.205 1.263 371 2HB ALA 49 1HB ALA 49 71.795 -6.530 2.108 372 3HB ALA 49 3HB ALA 49 71.932 -6.392 0.354 373 H SER 50 H SER 50 68.731 -9.067 1.974 374 HA SER 50 HA SER 50 67.118 -7.824 3.897 375 1HB SER 50 2HB SER 50 67.652 -10.471 4.751 376 2HB SER 50 1HB SER 50 66.238 -9.869 3.896 377 HG SER 50 HG SER 50 68.021 -11.550 2.980 No H/Q in entry = 377 Start of MODEL 23 1 1H ALA 1 3H ALA 1 33.886 22.864 16.228 2 2H ALA 1 2H ALA 1 32.609 22.393 17.244 3 3H ALA 1 1H ALA 1 33.930 23.253 17.878 4 HA ALA 1 HA ALA 1 35.407 21.430 17.453 5 1HB ALA 1 2HB ALA 1 32.865 20.559 18.866 6 2HB ALA 1 1HB ALA 1 34.433 19.763 19.016 7 3HB ALA 1 3HB ALA 1 34.217 21.414 19.610 8 H GLU 2 H GLU 2 35.469 20.919 15.231 9 HA GLU 2 HA GLU 2 35.152 19.622 13.363 10 1HB GLU 2 2HB GLU 2 34.725 17.794 15.677 11 2HB GLU 2 1HB GLU 2 34.340 17.200 14.062 12 1HG GLU 2 2HG GLU 2 36.656 17.960 13.361 13 2HG GLU 2 1HG GLU 2 36.997 18.217 15.073 14 H GLY 3 H GLY 3 33.064 21.347 13.795 15 1HA GLY 3 2HA GLY 3 30.493 20.223 13.935 16 2HA GLY 3 1HA GLY 3 30.893 21.763 13.175 17 H ASP 4 H ASP 4 29.092 19.446 12.401 18 HA ASP 4 HA ASP 4 29.657 19.508 9.586 19 1HB ASP 4 2HB ASP 4 31.089 17.608 10.767 20 2HB ASP 4 1HB ASP 4 29.565 16.729 10.653 21 H ASP 5 H ASP 5 27.553 20.421 9.627 22 HA ASP 5 HA ASP 5 25.268 20.390 9.440 23 1HB ASP 5 2HB ASP 5 26.084 18.314 8.018 24 2HB ASP 5 1HB ASP 5 25.263 17.410 9.291 25 HA PRO 6 HA PRO 6 24.570 19.152 13.769 26 1HB PRO 6 2HB PRO 6 23.674 21.554 14.630 27 2HB PRO 6 1HB PRO 6 25.390 21.141 14.521 28 1HG PRO 6 2HG PRO 6 23.808 22.961 12.861 29 2HG PRO 6 1HG PRO 6 25.562 22.873 13.080 30 1HD PRO 6 2HD PRO 6 23.999 21.860 10.897 31 2HD PRO 6 1HD PRO 6 25.760 21.789 11.113 32 H ALA 7 H ALA 7 22.654 19.514 11.223 33 HA ALA 7 HA ALA 7 20.119 19.868 12.636 34 1HB ALA 7 2HB ALA 7 20.812 19.552 9.713 35 2HB ALA 7 1HB ALA 7 19.158 19.661 10.319 36 3HB ALA 7 3HB ALA 7 20.268 21.016 10.534 37 H LYS 8 H LYS 8 21.516 17.644 13.470 38 HA LYS 8 HA LYS 8 21.637 15.331 13.483 39 1HB LYS 8 2HB LYS 8 18.699 15.566 13.569 40 2HB LYS 8 1HB LYS 8 19.784 14.563 14.501 41 1HG LYS 8 2HG LYS 8 19.694 17.560 14.762 42 2HG LYS 8 1HG LYS 8 18.742 16.492 15.789 43 1HD LYS 8 2HD LYS 8 21.700 16.982 15.734 44 2HD LYS 8 1HD LYS 8 20.620 16.832 17.113 45 1HE LYS 8 2HE LYS 8 21.761 14.600 15.407 46 2HE LYS 8 1HE LYS 8 22.072 14.920 17.112 47 1HZ LYS 8 3HZ LYS 8 19.283 14.563 16.497 48 2HZ LYS 8 2HZ LYS 8 20.230 13.195 16.160 49 3HZ LYS 8 1HZ LYS 8 20.226 13.866 17.720 50 H ALA 9 H ALA 9 22.106 15.503 11.086 51 HA ALA 9 HA ALA 9 20.068 14.193 9.433 52 1HB ALA 9 3HB ALA 9 22.380 15.948 8.884 53 2HB ALA 9 2HB ALA 9 22.100 14.657 7.713 54 3HB ALA 9 1HB ALA 9 20.826 15.830 8.058 55 H ALA 10 H ALA 10 23.562 13.920 9.051 56 HA ALA 10 HA ALA 10 23.574 11.210 8.424 57 1HB ALA 10 1HB ALA 10 25.457 13.209 8.548 58 2HB ALA 10 3HB ALA 10 25.982 12.110 9.826 59 3HB ALA 10 2HB ALA 10 25.790 11.516 8.174 60 H PHE 11 H PHE 11 23.724 12.817 11.537 61 HA PHE 11 HA PHE 11 24.529 10.638 13.127 62 1HB PHE 11 2HB PHE 11 24.017 13.248 13.605 63 2HB PHE 11 1HB PHE 11 22.574 12.521 14.291 64 HD1 PHE 11 HD2 PHE 11 22.924 10.542 15.934 65 HD2 PHE 11 HD1 PHE 11 26.006 13.330 14.894 66 HE1 PHE 11 HE2 PHE 11 24.166 9.943 17.972 67 HE2 PHE 11 HE1 PHE 11 27.234 12.720 16.932 68 HZ PHE 11 HZ PHE 11 26.319 11.030 18.471 69 H ASN 12 H ASN 12 21.441 11.522 11.755 70 HA ASN 12 HA ASN 12 20.034 9.462 13.285 71 1HB ASN 12 2HB ASN 12 19.176 11.866 12.599 72 2HB ASN 12 1HB ASN 12 18.731 11.033 11.109 73 1HD2 ASN 12 1HD2 ASN 12 17.102 9.509 11.144 74 2HD2 ASN 12 2HD2 ASN 12 16.078 9.242 12.509 75 H SER 13 H SER 13 20.778 10.271 9.904 76 HA SER 13 HA SER 13 19.576 7.998 8.742 77 1HB SER 13 2HB SER 13 21.848 8.803 7.212 78 2HB SER 13 1HB SER 13 20.141 9.089 6.883 79 HG SER 13 HG SER 13 21.045 11.089 7.091 80 H LEU 14 H LEU 14 22.803 8.585 10.024 81 HA LEU 14 HA LEU 14 24.173 6.364 9.112 82 1HB LEU 14 2HB LEU 14 25.321 8.070 10.334 83 2HB LEU 14 1HB LEU 14 24.312 7.810 11.752 84 HG LEU 14 HG LEU 14 25.244 5.521 11.973 85 1HD1 LEU 14 2HD1 LEU 14 26.917 6.370 9.608 86 2HD1 LEU 14 1HD1 LEU 14 27.420 5.085 10.705 87 3HD1 LEU 14 3HD1 LEU 14 25.922 4.923 9.789 88 1HD2 LEU 14 2HD2 LEU 14 27.136 7.867 12.056 89 2HD2 LEU 14 1HD2 LEU 14 26.301 7.070 13.395 90 3HD2 LEU 14 3HD2 LEU 14 27.633 6.257 12.573 91 H GLN 15 H GLN 15 22.006 6.634 11.902 92 HA GLN 15 HA GLN 15 22.354 4.144 13.055 93 1HB GLN 15 2HB GLN 15 20.996 5.788 14.144 94 2HB GLN 15 1HB GLN 15 19.883 5.859 12.785 95 1HG GLN 15 2HG GLN 15 19.907 3.159 13.603 96 2HG GLN 15 1HG GLN 15 19.838 4.117 15.081 97 1HE2 GLN 15 2HD2 GLN 15 16.412 3.513 13.605 98 2HE2 GLN 15 1HD2 GLN 15 17.752 2.472 13.932 99 H ALA 16 H ALA 16 20.217 5.059 10.372 100 HA ALA 16 HA ALA 16 19.463 2.262 9.952 101 1HB ALA 16 2HB ALA 16 18.177 4.734 9.572 102 2HB ALA 16 1HB ALA 16 18.446 4.067 7.961 103 3HB ALA 16 3HB ALA 16 17.562 3.129 9.166 104 H SER 17 H SER 17 22.192 3.535 9.367 105 HA SER 17 HA SER 17 22.536 2.256 6.769 106 1HB SER 17 2HB SER 17 22.844 5.175 7.268 107 2HB SER 17 1HB SER 17 24.015 4.388 6.216 108 HG SER 17 HG SER 17 22.465 4.733 4.781 109 H ALA 18 H ALA 18 23.448 0.967 8.751 110 HA ALA 18 HA ALA 18 25.969 1.818 9.815 111 1HB ALA 18 2HB ALA 18 24.328 -0.673 9.911 112 2HB ALA 18 1HB ALA 18 26.034 -0.768 10.352 113 3HB ALA 18 3HB ALA 18 24.955 0.314 11.233 114 H THR 19 H THR 19 25.039 -0.691 7.460 115 HA THR 19 HA THR 19 27.824 -0.925 6.604 116 HB THR 19 HB THR 19 26.329 -2.926 7.004 117 HG1 THR 19 HG1 THR 19 28.219 -3.180 5.857 118 1HG2 THR 19 1HG2 THR 19 24.733 -1.592 4.994 119 2HG2 THR 19 3HG2 THR 19 25.220 -3.190 4.430 120 3HG2 THR 19 2HG2 THR 19 24.346 -3.021 5.954 121 H GLU 20 H GLU 20 25.911 1.410 6.015 122 HA GLU 20 HA GLU 20 25.834 1.341 3.109 123 1HB GLU 20 2HB GLU 20 24.400 2.687 5.173 124 2HB GLU 20 1HB GLU 20 25.150 3.896 4.139 125 1HG GLU 20 2HG GLU 20 23.238 1.700 3.328 126 2HG GLU 20 1HG GLU 20 22.991 3.441 3.224 127 H TYR 21 H TYR 21 28.097 2.042 5.419 128 HA TYR 21 HA TYR 21 29.395 4.128 3.798 129 1HB TYR 21 2HB TYR 21 29.467 3.423 6.695 130 2HB TYR 21 1HB TYR 21 30.867 4.200 5.973 131 HD1 TYR 21 HD1 TYR 21 30.671 6.481 5.020 132 HD2 TYR 21 HD2 TYR 21 27.409 4.605 7.047 133 HE1 TYR 21 HE1 TYR 21 29.542 8.659 5.232 134 HE2 TYR 21 HE2 TYR 21 26.290 6.789 7.255 135 HH TYR 21 HH TYR 21 27.046 9.253 7.296 136 H ILE 22 H ILE 22 29.610 0.832 4.787 137 HA ILE 22 HA ILE 22 32.449 0.613 4.227 138 HB ILE 22 HB ILE 22 30.303 -1.389 4.941 139 1HG1 ILE 22 2HG1 ILE 22 31.254 0.274 6.684 140 2HG1 ILE 22 1HG1 ILE 22 31.210 -1.440 7.129 141 1HG2 ILE 22 3HG2 ILE 22 33.205 -1.869 4.264 142 2HG2 ILE 22 2HG2 ILE 22 32.303 -2.981 5.296 143 3HG2 ILE 22 1HG2 ILE 22 31.777 -2.690 3.635 144 1HD1 ILE 22 1HD1 ILE 22 33.726 -1.042 5.910 145 2HD1 ILE 22 3HD1 ILE 22 33.474 0.343 6.973 146 3HD1 ILE 22 2HD1 ILE 22 33.381 -1.295 7.617 147 H GLY 23 H GLY 23 29.950 1.097 2.270 148 1HA GLY 23 2HA GLY 23 30.801 -0.856 0.254 149 2HA GLY 23 1HA GLY 23 29.266 0.009 0.237 150 H TYR 24 H TYR 24 31.538 2.251 1.119 151 HA TYR 24 HA TYR 24 32.362 2.900 -1.610 152 1HB TYR 24 2HB TYR 24 31.244 5.103 0.073 153 2HB TYR 24 1HB TYR 24 31.400 4.982 -1.665 154 HD1 TYR 24 HD1 TYR 24 30.065 2.970 -2.741 155 HD2 TYR 24 HD2 TYR 24 29.065 4.851 0.973 156 HE1 TYR 24 HE1 TYR 24 27.745 2.165 -2.944 157 HE2 TYR 24 HE2 TYR 24 26.760 4.040 0.754 158 HH TYR 24 HH TYR 24 25.237 3.183 -0.727 159 H ALA 25 H ALA 25 32.629 3.761 1.855 160 HA ALA 25 HA ALA 25 35.164 5.090 1.462 161 1HB ALA 25 3HB ALA 25 33.738 4.210 3.980 162 2HB ALA 25 2HB ALA 25 35.173 5.238 3.924 163 3HB ALA 25 1HB ALA 25 33.648 5.813 3.246 164 H TRP 26 H TRP 26 34.196 1.910 1.488 165 HA TRP 26 HA TRP 26 36.513 0.800 2.845 166 1HB TRP 26 2HB TRP 26 34.795 -0.545 3.367 167 2HB TRP 26 1HB TRP 26 33.876 -0.057 1.966 168 HD1 TRP 26 1HD TRP 26 33.516 -1.862 0.279 169 HE1 TRP 26 1HE TRP 26 34.689 -4.013 -0.322 170 HE3 TRP 26 3HE TRP 26 37.570 -1.559 3.327 171 HZ2 TRP 26 2HZ TRP 26 37.015 -5.457 0.323 172 HZ3 TRP 26 3HZ TRP 26 39.259 -3.353 3.293 173 HH2 TRP 26 HH2 TRP 26 38.989 -5.288 1.796 174 H ALA 27 H ALA 27 35.014 0.665 -0.363 175 HA ALA 27 HA ALA 27 37.024 -0.774 -1.627 176 1HB ALA 27 2HB ALA 27 34.702 0.773 -2.409 177 2HB ALA 27 1HB ALA 27 36.028 1.016 -3.548 178 3HB ALA 27 3HB ALA 27 35.442 -0.614 -3.214 179 H MET 28 H MET 28 36.581 2.762 -1.500 180 HA MET 28 HA MET 28 38.839 3.539 -2.899 181 1HB MET 28 2HB MET 28 36.969 4.777 -1.057 182 2HB MET 28 1HB MET 28 38.595 5.368 -0.772 183 1HG MET 28 2HG MET 28 37.165 6.671 -2.447 184 2HG MET 28 1HG MET 28 38.789 6.247 -2.961 185 1HE MET 28 1HE MET 28 36.445 7.209 -4.867 186 2HE MET 28 3HE MET 28 38.021 6.769 -5.541 187 3HE MET 28 2HE MET 28 36.545 6.091 -6.226 188 H VAL 29 H VAL 29 38.511 2.401 0.386 189 HA VAL 29 HA VAL 29 41.095 3.118 1.311 190 HB VAL 29 HB VAL 29 38.799 1.572 2.238 191 1HG1 VAL 29 3HG1 VAL 29 41.545 0.626 3.048 192 2HG1 VAL 29 2HG1 VAL 29 40.092 0.340 4.010 193 3HG1 VAL 29 1HG1 VAL 29 40.219 -0.333 2.383 194 1HG2 VAL 29 3HG2 VAL 29 40.352 3.776 3.019 195 2HG2 VAL 29 2HG2 VAL 29 38.901 3.142 3.799 196 3HG2 VAL 29 1HG2 VAL 29 40.496 2.582 4.311 197 H VAL 30 H VAL 30 39.803 0.317 -0.387 198 HA VAL 30 HA VAL 30 42.054 -1.359 -0.172 199 HB VAL 30 HB VAL 30 39.886 -1.176 -2.260 200 1HG1 VAL 30 2HG1 VAL 30 41.922 -2.344 -3.056 201 2HG1 VAL 30 1HG1 VAL 30 41.756 -3.470 -1.709 202 3HG1 VAL 30 3HG1 VAL 30 40.506 -3.391 -2.950 203 1HG2 VAL 30 2HG2 VAL 30 39.188 -1.628 0.105 204 2HG2 VAL 30 1HG2 VAL 30 38.787 -2.915 -1.037 205 3HG2 VAL 30 3HG2 VAL 30 40.166 -3.097 0.050 206 H VAL 31 H VAL 31 41.288 1.348 -2.240 207 HA VAL 31 HA VAL 31 43.344 0.824 -4.168 208 HB VAL 31 HB VAL 31 41.678 3.263 -3.584 209 1HG1 VAL 31 3HG1 VAL 31 43.885 2.794 -5.467 210 2HG1 VAL 31 2HG1 VAL 31 42.439 3.530 -6.164 211 3HG1 VAL 31 1HG1 VAL 31 43.255 4.302 -4.803 212 1HG2 VAL 31 1HG2 VAL 31 40.635 1.037 -4.429 213 2HG2 VAL 31 3HG2 VAL 31 40.206 2.544 -5.239 214 3HG2 VAL 31 2HG2 VAL 31 41.395 1.460 -5.964 215 H ILE 32 H ILE 32 43.082 2.452 -1.147 216 HA ILE 32 HA ILE 32 45.554 3.947 -1.459 217 HB ILE 32 HB ILE 32 43.735 3.553 0.916 218 1HG1 ILE 32 2HG1 ILE 32 44.052 5.897 -0.965 219 2HG1 ILE 32 1HG1 ILE 32 42.702 4.766 -0.956 220 1HG2 ILE 32 3HG2 ILE 32 46.346 4.875 0.610 221 2HG2 ILE 32 2HG2 ILE 32 45.104 5.847 1.405 222 3HG2 ILE 32 1HG2 ILE 32 45.543 4.267 2.059 223 1HD1 ILE 32 3HD1 ILE 32 43.495 6.538 1.367 224 2HD1 ILE 32 2HD1 ILE 32 42.174 6.869 0.244 225 3HD1 ILE 32 1HD1 ILE 32 42.099 5.460 1.304 226 H VAL 33 H VAL 33 44.464 0.915 -0.165 227 HA VAL 33 HA VAL 33 46.730 0.413 1.502 228 HB VAL 33 HB VAL 33 44.497 -1.280 0.399 229 1HG1 VAL 33 2HG1 VAL 33 46.816 -2.060 2.130 230 2HG1 VAL 33 1HG1 VAL 33 45.286 -2.939 2.165 231 3HG1 VAL 33 3HG1 VAL 33 46.213 -2.839 0.668 232 1HG2 VAL 33 3HG2 VAL 33 44.309 0.561 2.295 233 2HG2 VAL 33 2HG2 VAL 33 43.426 -0.964 2.393 234 3HG2 VAL 33 1HG2 VAL 33 44.929 -0.754 3.294 235 H GLY 34 H GLY 34 45.868 -0.128 -1.845 236 1HA GLY 34 2HA GLY 34 47.932 -2.035 -2.416 237 2HA GLY 34 1HA GLY 34 46.980 -1.140 -3.602 238 H ALA 35 H ALA 35 47.536 1.393 -3.365 239 HA ALA 35 HA ALA 35 50.023 1.840 -4.481 240 1HB ALA 35 3HB ALA 35 48.016 3.440 -4.240 241 2HB ALA 35 2HB ALA 35 48.721 3.871 -2.681 242 3HB ALA 35 1HB ALA 35 49.636 4.140 -4.166 243 H THR 36 H THR 36 49.126 1.448 -1.156 244 HA THR 36 HA THR 36 51.482 2.477 0.067 245 HB THR 36 HB THR 36 49.363 0.524 0.959 246 HG1 THR 36 HG1 THR 36 48.889 2.822 0.636 247 1HG2 THR 36 2HG2 THR 36 51.864 1.386 2.298 248 2HG2 THR 36 1HG2 THR 36 50.401 1.330 3.283 249 3HG2 THR 36 3HG2 THR 36 50.957 -0.122 2.447 250 H ILE 37 H ILE 37 50.460 -0.725 -1.039 251 HA ILE 37 HA ILE 37 52.644 -2.216 -0.084 252 HB ILE 37 HB ILE 37 50.881 -2.610 -2.498 253 1HG1 ILE 37 2HG1 ILE 37 50.816 -3.773 0.272 254 2HG1 ILE 37 1HG1 ILE 37 49.667 -2.627 -0.408 255 1HG2 ILE 37 2HG2 ILE 37 53.030 -3.829 -2.714 256 2HG2 ILE 37 1HG2 ILE 37 52.678 -4.647 -1.189 257 3HG2 ILE 37 3HG2 ILE 37 51.630 -4.896 -2.586 258 1HD1 ILE 37 3HD1 ILE 37 49.632 -4.672 -2.252 259 2HD1 ILE 37 2HD1 ILE 37 49.829 -5.539 -0.729 260 3HD1 ILE 37 1HD1 ILE 37 48.455 -4.455 -0.956 261 H GLY 38 H GLY 38 52.248 -0.144 -2.860 262 1HA GLY 38 2HA GLY 38 54.508 -0.967 -4.361 263 2HA GLY 38 1HA GLY 38 53.697 0.596 -4.480 264 H ILE 39 H ILE 39 54.115 2.052 -2.546 265 HA ILE 39 HA ILE 39 56.775 2.804 -2.485 266 HB ILE 39 HB ILE 39 54.678 3.278 -0.368 267 1HG1 ILE 39 2HG1 ILE 39 55.281 5.459 -2.200 268 2HG1 ILE 39 1HG1 ILE 39 54.645 4.049 -3.036 269 1HG2 ILE 39 1HG2 ILE 39 57.326 4.559 -0.959 270 2HG2 ILE 39 3HG2 ILE 39 56.067 5.385 -0.039 271 3HG2 ILE 39 2HG2 ILE 39 56.751 3.873 0.562 272 1HD1 ILE 39 2HD1 ILE 39 53.201 4.694 -0.568 273 2HD1 ILE 39 1HD1 ILE 39 53.124 5.967 -1.789 274 3HD1 ILE 39 3HD1 ILE 39 52.577 4.334 -2.180 275 H LYS 40 H LYS 40 55.019 0.652 -0.281 276 HA LYS 40 HA LYS 40 56.959 0.365 1.694 277 1HB LYS 40 2HB LYS 40 54.502 -0.572 1.429 278 2HB LYS 40 1HB LYS 40 55.354 -1.987 0.821 279 1HG LYS 40 2HG LYS 40 55.468 -2.563 2.996 280 2HG LYS 40 1HG LYS 40 56.799 -1.410 3.054 281 1HD LYS 40 2HD LYS 40 53.973 -0.498 3.452 282 2HD LYS 40 1HD LYS 40 54.864 -1.216 4.791 283 1HE LYS 40 2HE LYS 40 55.477 1.321 3.268 284 2HE LYS 40 1HE LYS 40 55.192 1.128 4.996 285 1HZ LYS 40 3HZ LYS 40 57.296 -0.458 4.670 286 2HZ LYS 40 2HZ LYS 40 57.613 0.697 3.467 287 3HZ LYS 40 1HZ LYS 40 57.411 1.182 5.081 288 H LEU 41 H LEU 41 56.472 -1.443 -1.318 289 HA LEU 41 HA LEU 41 58.500 -3.328 -1.057 290 1HB LEU 41 2HB LEU 41 57.212 -1.981 -3.405 291 2HB LEU 41 1HB LEU 41 58.558 -3.081 -3.657 292 HG LEU 41 HG LEU 41 55.936 -3.712 -2.301 293 1HD1 LEU 41 1HD1 LEU 41 57.132 -4.591 -4.926 294 2HD1 LEU 41 3HD1 LEU 41 55.697 -5.316 -4.200 295 3HD1 LEU 41 2HD1 LEU 41 55.680 -3.618 -4.681 296 1HD2 LEU 41 1HD2 LEU 41 58.515 -5.186 -2.374 297 2HD2 LEU 41 3HD2 LEU 41 57.252 -5.169 -1.142 298 3HD2 LEU 41 2HD2 LEU 41 57.042 -6.126 -2.608 299 H PHE 42 H PHE 42 58.628 0.053 -1.930 300 HA PHE 42 HA PHE 42 61.288 0.099 -2.930 301 1HB PHE 42 2HB PHE 42 59.392 1.846 -3.149 302 2HB PHE 42 1HB PHE 42 59.960 2.431 -1.592 303 HD1 PHE 42 HD1 PHE 42 60.844 1.931 -5.130 304 HD2 PHE 42 HD2 PHE 42 62.024 3.627 -1.394 305 HE1 PHE 42 HE1 PHE 42 62.601 3.225 -6.273 306 HE2 PHE 42 HE2 PHE 42 63.783 4.921 -2.537 307 HZ PHE 42 HZ PHE 42 64.071 4.720 -4.977 308 H LYS 43 H LYS 43 59.928 1.063 0.224 309 HA LYS 43 HA LYS 43 62.373 1.650 1.470 310 1HB LYS 43 2HB LYS 43 59.684 0.864 2.548 311 2HB LYS 43 1HB LYS 43 61.026 1.395 3.565 312 1HG LYS 43 2HG LYS 43 60.613 3.134 1.263 313 2HG LYS 43 1HG LYS 43 59.184 3.017 2.267 314 1HD LYS 43 2HD LYS 43 60.433 3.714 4.245 315 2HD LYS 43 1HD LYS 43 61.936 3.701 3.329 316 1HE LYS 43 2HE LYS 43 59.843 5.757 3.498 317 2HE LYS 43 1HE LYS 43 61.555 5.912 3.110 318 1HZ LYS 43 3HZ LYS 43 61.002 5.013 0.871 319 2HZ LYS 43 2HZ LYS 43 59.357 5.124 1.278 320 3HZ LYS 43 1HZ LYS 43 60.312 6.527 1.204 321 H LYS 44 H LYS 44 61.012 -1.384 0.641 322 HA LYS 44 HA LYS 44 62.394 -2.833 2.759 323 1HB LYS 44 2HB LYS 44 60.056 -3.315 1.457 324 2HB LYS 44 1HB LYS 44 61.152 -4.316 0.518 325 1HG LYS 44 2HG LYS 44 61.025 -4.490 3.537 326 2HG LYS 44 1HG LYS 44 59.937 -5.402 2.496 327 1HD LYS 44 2HD LYS 44 61.754 -6.661 1.485 328 2HD LYS 44 1HD LYS 44 62.970 -5.533 2.079 329 1HE LYS 44 2HE LYS 44 61.532 -7.749 3.515 330 2HE LYS 44 1HE LYS 44 63.233 -7.292 3.589 331 1HZ LYS 44 3HZ LYS 44 62.454 -5.239 4.786 332 2HZ LYS 44 2HZ LYS 44 60.931 -5.978 4.914 333 3HZ LYS 44 1HZ LYS 44 62.290 -6.696 5.638 334 H PHE 45 H PHE 45 62.668 -2.228 -0.695 335 HA PHE 45 HA PHE 45 64.908 -4.049 -1.021 336 1HB PHE 45 2HB PHE 45 63.264 -2.293 -2.768 337 2HB PHE 45 1HB PHE 45 64.890 -2.671 -3.292 338 HD1 PHE 45 HD2 PHE 45 65.578 -5.121 -3.515 339 HD2 PHE 45 HD1 PHE 45 61.500 -3.898 -3.011 340 HE1 PHE 45 HE2 PHE 45 64.809 -7.299 -4.352 341 HE2 PHE 45 HE1 PHE 45 60.752 -6.081 -3.849 342 HZ PHE 45 HZ PHE 45 62.401 -7.781 -4.519 343 H THR 46 H THR 46 64.338 -0.683 -0.407 344 HA THR 46 HA THR 46 67.071 0.074 -1.034 345 HB THR 46 HB THR 46 66.315 2.305 -0.573 346 HG1 THR 46 HG1 THR 46 63.769 1.314 0.102 347 1HG2 THR 46 3HG2 THR 46 65.105 0.567 -2.487 348 2HG2 THR 46 2HG2 THR 46 63.911 1.757 -1.962 349 3HG2 THR 46 1HG2 THR 46 65.455 2.292 -2.629 350 H SER 47 H SER 47 65.285 -1.038 1.663 351 HA SER 47 HA SER 47 67.009 0.227 3.641 352 1HB SER 47 2HB SER 47 64.626 -1.594 3.785 353 2HB SER 47 1HB SER 47 65.626 -1.288 5.200 354 HG SER 47 HG SER 47 64.796 0.668 5.329 355 H LYS 48 H LYS 48 66.930 -2.644 1.771 356 HA LYS 48 HA LYS 48 67.986 -4.639 3.275 357 1HB LYS 48 2HB LYS 48 68.475 -3.775 0.452 358 2HB LYS 48 1HB LYS 48 69.440 -5.085 1.122 359 1HG LYS 48 2HG LYS 48 66.463 -5.189 1.420 360 2HG LYS 48 1HG LYS 48 67.176 -5.562 -0.145 361 1HD LYS 48 2HD LYS 48 68.115 -7.505 0.575 362 2HD LYS 48 1HD LYS 48 68.447 -6.878 2.184 363 1HE LYS 48 2HE LYS 48 66.200 -7.273 2.896 364 2HE LYS 48 1HE LYS 48 65.660 -7.579 1.246 365 1HZ LYS 48 3HZ LYS 48 67.699 -9.365 1.705 366 2HZ LYS 48 2HZ LYS 48 66.781 -9.372 3.134 367 3HZ LYS 48 1HZ LYS 48 66.038 -9.704 1.643 368 H ALA 49 H ALA 49 70.018 -2.259 1.552 369 HA ALA 49 HA ALA 49 72.159 -1.546 1.908 370 1HB ALA 49 3HB ALA 49 71.146 -1.866 4.727 371 2HB ALA 49 2HB ALA 49 72.734 -1.187 4.359 372 3HB ALA 49 1HB ALA 49 71.273 -0.386 3.776 373 H SER 50 H SER 50 72.208 -3.553 4.803 374 HA SER 50 HA SER 50 73.639 -5.225 5.447 375 1HB SER 50 2HB SER 50 72.053 -6.347 3.787 376 2HB SER 50 1HB SER 50 73.369 -6.235 2.624 377 HG SER 50 HG SER 50 73.293 -8.243 3.863 No H/Q in entry = 377 Start of MODEL 24 1 1H ALA 1 1H ALA 1 25.180 8.529 24.696 2 2H ALA 1 3H ALA 1 26.062 7.096 24.910 3 3H ALA 1 2H ALA 1 26.536 8.512 25.719 4 HA ALA 1 HA ALA 1 27.836 9.086 24.061 5 1HB ALA 1 3HB ALA 1 27.969 6.572 23.741 6 2HB ALA 1 2HB ALA 1 26.746 6.742 22.478 7 3HB ALA 1 1HB ALA 1 28.321 7.518 22.290 8 H GLU 2 H GLU 2 27.921 9.829 21.741 9 HA GLU 2 HA GLU 2 25.981 11.682 21.174 10 1HB GLU 2 2HB GLU 2 27.817 10.217 19.282 11 2HB GLU 2 1HB GLU 2 26.864 11.629 18.831 12 1HG GLU 2 2HG GLU 2 28.851 11.600 21.109 13 2HG GLU 2 1HG GLU 2 29.234 12.148 19.476 14 H GLY 3 H GLY 3 23.920 11.537 20.596 15 1HA GLY 3 2HA GLY 3 21.973 10.816 19.607 16 2HA GLY 3 1HA GLY 3 22.958 9.785 18.571 17 H ASP 4 H ASP 4 20.708 9.825 21.044 18 HA ASP 4 HA ASP 4 21.399 7.080 21.893 19 1HB ASP 4 2HB ASP 4 21.076 9.243 23.504 20 2HB ASP 4 1HB ASP 4 19.437 8.590 23.488 21 H ASP 5 H ASP 5 20.338 6.334 19.929 22 HA ASP 5 HA ASP 5 18.571 5.429 18.783 23 1HB ASP 5 2HB ASP 5 18.207 4.298 20.933 24 2HB ASP 5 1HB ASP 5 17.222 5.656 21.479 25 HA PRO 6 HA PRO 6 16.405 9.356 18.052 26 1HB PRO 6 2HB PRO 6 16.825 9.413 15.374 27 2HB PRO 6 1HB PRO 6 17.994 10.005 16.563 28 1HG PRO 6 2HG PRO 6 18.120 7.621 14.878 29 2HG PRO 6 1HG PRO 6 19.411 8.452 15.754 30 1HD PRO 6 2HD PRO 6 18.017 6.054 16.511 31 2HD PRO 6 1HD PRO 6 19.356 6.864 17.346 32 H ALA 7 H ALA 7 16.196 6.484 15.968 33 HA ALA 7 HA ALA 7 14.375 5.207 15.378 34 1HB ALA 7 2HB ALA 7 13.338 6.603 17.504 35 2HB ALA 7 1HB ALA 7 12.260 7.060 16.184 36 3HB ALA 7 3HB ALA 7 12.488 5.358 16.587 37 H LYS 8 H LYS 8 13.923 8.714 14.957 38 HA LYS 8 HA LYS 8 13.105 8.169 12.181 39 1HB LYS 8 2HB LYS 8 12.069 10.608 12.615 40 2HB LYS 8 1HB LYS 8 11.180 9.114 12.862 41 1HG LYS 8 2HG LYS 8 12.020 9.209 15.290 42 2HG LYS 8 1HG LYS 8 12.510 10.860 14.927 43 1HD LYS 8 2HD LYS 8 10.227 10.601 16.006 44 2HD LYS 8 1HD LYS 8 10.295 11.578 14.546 45 1HE LYS 8 2HE LYS 8 8.363 9.898 14.758 46 2HE LYS 8 1HE LYS 8 9.257 9.907 13.239 47 1HZ LYS 8 3HZ LYS 8 10.409 8.137 15.167 48 2HZ LYS 8 2HZ LYS 8 8.788 7.746 14.840 49 3HZ LYS 8 1HZ LYS 8 9.918 7.826 13.575 50 H ALA 9 H ALA 9 14.207 10.997 14.065 51 HA ALA 9 HA ALA 9 15.325 12.495 12.097 52 1HB ALA 9 3HB ALA 9 16.217 12.075 14.939 53 2HB ALA 9 2HB ALA 9 16.994 13.254 13.878 54 3HB ALA 9 1HB ALA 9 15.279 13.409 14.264 55 H ALA 10 H ALA 10 17.775 11.019 14.147 56 HA ALA 10 HA ALA 10 19.675 10.841 12.085 57 1HB ALA 10 1HB ALA 10 19.540 10.280 14.890 58 2HB ALA 10 3HB ALA 10 20.335 8.936 14.067 59 3HB ALA 10 2HB ALA 10 20.962 10.577 13.888 60 H PHE 11 H PHE 11 17.159 8.668 13.077 61 HA PHE 11 HA PHE 11 18.212 6.278 11.952 62 1HB PHE 11 2HB PHE 11 16.138 6.776 13.553 63 2HB PHE 11 1HB PHE 11 15.279 6.727 12.024 64 HD1 PHE 11 HD2 PHE 11 17.720 4.783 14.073 65 HD2 PHE 11 HD1 PHE 11 14.613 4.637 11.127 66 HE1 PHE 11 HE2 PHE 11 17.728 2.326 14.172 67 HE2 PHE 11 HE1 PHE 11 14.635 2.182 11.239 68 HZ PHE 11 HZ PHE 11 16.188 1.026 12.757 69 H ASN 12 H ASN 12 16.548 9.038 10.648 70 HA ASN 12 HA ASN 12 15.966 7.738 8.108 71 1HB ASN 12 2HB ASN 12 14.532 9.539 9.265 72 2HB ASN 12 1HB ASN 12 15.734 10.683 8.667 73 1HD2 ASN 12 2HD2 ASN 12 12.849 9.993 6.245 74 2HD2 ASN 12 1HD2 ASN 12 12.861 10.194 7.961 75 H SER 13 H SER 13 18.312 9.935 9.495 76 HA SER 13 HA SER 13 19.534 10.551 6.936 77 1HB SER 13 2HB SER 13 21.155 11.276 9.194 78 2HB SER 13 1HB SER 13 20.321 12.318 8.042 79 HG SER 13 HG SER 13 19.732 12.149 10.518 80 H LEU 14 H LEU 14 20.183 8.533 9.756 81 HA LEU 14 HA LEU 14 22.793 7.731 8.850 82 1HB LEU 14 2HB LEU 14 22.075 7.821 11.256 83 2HB LEU 14 1HB LEU 14 21.050 6.426 10.932 84 HG LEU 14 HG LEU 14 23.279 5.380 9.991 85 1HD1 LEU 14 1HD1 LEU 14 24.509 7.596 10.306 86 2HD1 LEU 14 3HD1 LEU 14 24.486 7.244 12.035 87 3HD1 LEU 14 2HD1 LEU 14 25.317 6.156 10.924 88 1HD2 LEU 14 1HD2 LEU 14 22.630 5.658 12.934 89 2HD2 LEU 14 3HD2 LEU 14 22.260 4.305 11.855 90 3HD2 LEU 14 2HD2 LEU 14 23.926 4.623 12.340 91 H GLN 15 H GLN 15 19.542 6.351 8.797 92 HA GLN 15 HA GLN 15 20.208 3.780 7.864 93 1HB GLN 15 2HB GLN 15 18.005 4.329 8.756 94 2HB GLN 15 1HB GLN 15 17.706 5.410 7.399 95 1HG GLN 15 2HG GLN 15 18.192 3.269 5.960 96 2HG GLN 15 1HG GLN 15 17.803 2.417 7.453 97 1HE2 GLN 15 2HD2 GLN 15 14.479 2.525 6.360 98 2HE2 GLN 15 1HD2 GLN 15 15.883 1.561 6.652 99 H ALA 16 H ALA 16 19.655 6.824 6.192 100 HA ALA 16 HA ALA 16 19.970 5.571 3.572 101 1HB ALA 16 3HB ALA 16 19.029 8.177 4.603 102 2HB ALA 16 2HB ALA 16 19.846 8.209 3.039 103 3HB ALA 16 1HB ALA 16 18.417 7.199 3.268 104 H SER 17 H SER 17 22.160 6.000 5.741 105 HA SER 17 HA SER 17 24.214 6.832 3.835 106 1HB SER 17 2HB SER 17 23.764 8.135 6.517 107 2HB SER 17 1HB SER 17 25.274 8.260 5.621 108 HG SER 17 HG SER 17 24.321 9.820 4.555 109 H ALA 18 H ALA 18 23.346 4.328 5.131 110 HA ALA 18 HA ALA 18 25.627 3.714 6.881 111 1HB ALA 18 3HB ALA 18 22.892 2.725 6.605 112 2HB ALA 18 2HB ALA 18 24.088 1.431 6.718 113 3HB ALA 18 1HB ALA 18 23.985 2.652 7.989 114 H THR 19 H THR 19 23.909 2.253 4.114 115 HA THR 19 HA THR 19 26.374 0.817 3.395 116 HB THR 19 HB THR 19 24.939 -0.516 1.933 117 HG1 THR 19 HG1 THR 19 23.018 0.155 1.417 118 1HG2 THR 19 2HG2 THR 19 24.044 -0.199 4.796 119 2HG2 THR 19 1HG2 THR 19 23.376 -1.444 3.740 120 3HG2 THR 19 3HG2 THR 19 25.102 -1.434 4.109 121 H GLU 20 H GLU 20 25.169 3.759 2.743 122 HA GLU 20 HA GLU 20 25.519 3.711 -0.137 123 1HB GLU 20 2HB GLU 20 24.084 5.313 1.684 124 2HB GLU 20 1HB GLU 20 25.302 6.354 0.954 125 1HG GLU 20 2HG GLU 20 23.143 6.315 -0.298 126 2HG GLU 20 1HG GLU 20 24.524 5.803 -1.266 127 H TYR 21 H TYR 21 27.497 3.985 2.538 128 HA TYR 21 HA TYR 21 29.493 5.581 1.067 129 1HB TYR 21 2HB TYR 21 28.930 5.211 3.977 130 2HB TYR 21 1HB TYR 21 30.556 5.622 3.451 131 HD1 TYR 21 HD2 TYR 21 30.930 7.737 2.151 132 HD2 TYR 21 HD1 TYR 21 27.196 6.841 4.028 133 HE1 TYR 21 HE2 TYR 21 30.277 10.107 1.997 134 HE2 TYR 21 HE1 TYR 21 26.552 9.212 3.868 135 HH TYR 21 HH TYR 21 27.600 11.396 3.657 136 H ILE 22 H ILE 22 28.746 2.419 2.101 137 HA ILE 22 HA ILE 22 31.530 1.564 2.249 138 HB ILE 22 HB ILE 22 28.949 -0.019 2.384 139 1HG1 ILE 22 2HG1 ILE 22 30.673 1.204 4.576 140 2HG1 ILE 22 1HG1 ILE 22 28.930 1.348 4.336 141 1HG2 ILE 22 2HG2 ILE 22 31.830 -0.850 2.764 142 2HG2 ILE 22 1HG2 ILE 22 30.501 -1.776 3.459 143 3HG2 ILE 22 3HG2 ILE 22 30.602 -1.553 1.714 144 1HD1 ILE 22 2HD1 ILE 22 28.905 -1.224 4.760 145 2HD1 ILE 22 1HD1 ILE 22 30.499 -0.949 5.468 146 3HD1 ILE 22 3HD1 ILE 22 29.085 -0.123 6.128 147 H GLY 23 H GLY 23 29.599 2.348 -0.209 148 1HA GLY 23 2HA GLY 23 30.484 0.138 -1.923 149 2HA GLY 23 1HA GLY 23 29.156 1.234 -2.301 150 H TYR 24 H TYR 24 31.512 3.174 -1.062 151 HA TYR 24 HA TYR 24 33.040 3.440 -3.530 152 1HB TYR 24 2HB TYR 24 31.969 5.969 -2.385 153 2HB TYR 24 1HB TYR 24 32.397 5.564 -4.031 154 HD1 TYR 24 HD1 TYR 24 30.923 3.702 -5.145 155 HD2 TYR 24 HD2 TYR 24 29.669 6.122 -1.843 156 HE1 TYR 24 HE1 TYR 24 28.563 3.238 -5.685 157 HE2 TYR 24 HE2 TYR 24 27.323 5.649 -2.396 158 HH TYR 24 HH TYR 24 26.035 3.841 -3.595 159 H ALA 25 H ALA 25 32.542 4.641 -0.196 160 HA ALA 25 HA ALA 25 35.245 5.600 0.043 161 1HB ALA 25 1HB ALA 25 33.306 6.521 1.335 162 2HB ALA 25 3HB ALA 25 33.238 4.997 2.223 163 3HB ALA 25 2HB ALA 25 34.666 6.029 2.348 164 H TRP 26 H TRP 26 33.851 2.562 -0.034 165 HA TRP 26 HA TRP 26 35.633 1.281 1.867 166 1HB TRP 26 2HB TRP 26 33.679 0.193 2.050 167 2HB TRP 26 1HB TRP 26 33.155 0.689 0.463 168 HD1 TRP 26 1HD TRP 26 32.968 -1.166 -1.218 169 HE1 TRP 26 1HE TRP 26 33.939 -3.486 -1.434 170 HE3 TRP 26 3HE TRP 26 36.179 -1.174 2.723 171 HZ2 TRP 26 2HZ TRP 26 35.818 -5.167 -0.184 172 HZ3 TRP 26 3HZ TRP 26 37.559 -3.166 3.171 173 HH2 TRP 26 HH2 TRP 26 37.386 -5.148 1.723 174 H ALA 27 H ALA 27 34.832 0.927 -1.573 175 HA ALA 27 HA ALA 27 36.918 -0.773 -2.241 176 1HB ALA 27 3HB ALA 27 35.106 1.057 -3.712 177 2HB ALA 27 2HB ALA 27 36.590 0.597 -4.554 178 3HB ALA 27 1HB ALA 27 35.469 -0.648 -3.997 179 H MET 28 H MET 28 36.798 2.778 -2.352 180 HA MET 28 HA MET 28 39.307 3.263 -3.417 181 1HB MET 28 2HB MET 28 37.253 4.813 -2.709 182 2HB MET 28 1HB MET 28 38.261 5.046 -1.287 183 1HG MET 28 2HG MET 28 38.644 6.761 -2.993 184 2HG MET 28 1HG MET 28 40.087 5.820 -2.664 185 1HE MET 28 3HE MET 28 37.308 6.809 -4.821 186 2HE MET 28 2HE MET 28 38.595 7.497 -5.809 187 3HE MET 28 1HE MET 28 37.626 6.167 -6.439 188 H VAL 29 H VAL 29 38.309 2.471 -0.156 189 HA VAL 29 HA VAL 29 40.643 3.162 1.235 190 HB VAL 29 HB VAL 29 38.184 1.859 1.767 191 1HG1 VAL 29 1HG1 VAL 29 40.535 0.285 2.816 192 2HG1 VAL 29 3HG1 VAL 29 38.894 0.175 3.457 193 3HG1 VAL 29 2HG1 VAL 29 39.226 -0.307 1.791 194 1HG2 VAL 29 2HG2 VAL 29 40.397 2.948 3.486 195 2HG2 VAL 29 1HG2 VAL 29 38.882 3.728 3.024 196 3HG2 VAL 29 3HG2 VAL 29 38.867 2.369 4.149 197 H VAL 30 H VAL 30 39.701 0.035 -0.186 198 HA VAL 30 HA VAL 30 41.934 -1.457 0.415 199 HB VAL 30 HB VAL 30 40.300 -1.508 -2.116 200 1HG1 VAL 30 3HG1 VAL 30 42.447 -3.183 -1.059 201 2HG1 VAL 30 2HG1 VAL 30 41.006 -4.074 -1.550 202 3HG1 VAL 30 1HG1 VAL 30 41.834 -3.027 -2.705 203 1HG2 VAL 30 1HG2 VAL 30 39.799 -2.472 0.654 204 2HG2 VAL 30 3HG2 VAL 30 38.670 -1.834 -0.544 205 3HG2 VAL 30 2HG2 VAL 30 39.265 -3.490 -0.685 206 H VAL 31 H VAL 31 41.501 1.003 -2.044 207 HA VAL 31 HA VAL 31 43.916 0.419 -3.461 208 HB VAL 31 HB VAL 31 42.067 2.796 -3.455 209 1HG1 VAL 31 1HG1 VAL 31 44.487 2.193 -5.126 210 2HG1 VAL 31 3HG1 VAL 31 43.200 3.259 -5.689 211 3HG1 VAL 31 2HG1 VAL 31 44.103 3.661 -4.228 212 1HG2 VAL 31 2HG2 VAL 31 42.336 0.355 -5.199 213 2HG2 VAL 31 1HG2 VAL 31 40.912 0.937 -4.332 214 3HG2 VAL 31 3HG2 VAL 31 41.502 1.812 -5.746 215 H ILE 32 H ILE 32 43.137 2.127 -0.604 216 HA ILE 32 HA ILE 32 45.518 3.806 -0.675 217 HB ILE 32 HB ILE 32 43.394 3.429 1.433 218 1HG1 ILE 32 2HG1 ILE 32 43.865 5.696 -0.508 219 2HG1 ILE 32 1HG1 ILE 32 42.614 4.467 -0.669 220 1HG2 ILE 32 3HG2 ILE 32 45.979 4.585 1.643 221 2HG2 ILE 32 2HG2 ILE 32 44.797 5.895 1.683 222 3HG2 ILE 32 1HG2 ILE 32 44.685 4.568 2.843 223 1HD1 ILE 32 2HD1 ILE 32 42.443 5.581 1.956 224 2HD1 ILE 32 1HD1 ILE 32 42.504 6.905 0.790 225 3HD1 ILE 32 3HD1 ILE 32 41.258 5.663 0.650 226 H VAL 33 H VAL 33 44.413 0.807 0.732 227 HA VAL 33 HA VAL 33 46.575 0.601 2.621 228 HB VAL 33 HB VAL 33 44.373 -1.222 1.684 229 1HG1 VAL 33 2HG1 VAL 33 46.712 -1.821 3.426 230 2HG1 VAL 33 1HG1 VAL 33 45.155 -2.581 3.762 231 3HG1 VAL 33 3HG1 VAL 33 45.935 -2.820 2.199 232 1HG2 VAL 33 2HG2 VAL 33 43.883 0.735 3.193 233 2HG2 VAL 33 1HG2 VAL 33 43.411 -0.843 3.825 234 3HG2 VAL 33 3HG2 VAL 33 44.876 -0.059 4.417 235 H GLY 34 H GLY 34 45.872 -0.393 -0.652 236 1HA GLY 34 2HA GLY 34 48.098 -2.252 -0.802 237 2HA GLY 34 1HA GLY 34 47.024 -1.789 -2.125 238 H ALA 35 H ALA 35 47.261 0.907 -2.233 239 HA ALA 35 HA ALA 35 49.533 1.409 -3.716 240 1HB ALA 35 3HB ALA 35 47.987 3.384 -2.024 241 2HB ALA 35 2HB ALA 35 49.083 3.800 -3.344 242 3HB ALA 35 1HB ALA 35 47.595 2.910 -3.678 243 H THR 36 H THR 36 49.094 1.432 -0.272 244 HA THR 36 HA THR 36 51.508 2.783 0.438 245 HB THR 36 HB THR 36 49.650 0.919 1.920 246 HG1 THR 36 HG1 THR 36 49.048 2.873 2.924 247 1HG2 THR 36 1HG2 THR 36 52.306 1.891 2.679 248 2HG2 THR 36 3HG2 THR 36 51.046 2.268 3.857 249 3HG2 THR 36 2HG2 THR 36 51.332 0.593 3.374 250 H ILE 37 H ILE 37 50.577 -0.632 0.135 251 HA ILE 37 HA ILE 37 53.007 -1.784 0.930 252 HB ILE 37 HB ILE 37 50.977 -2.752 -1.076 253 1HG1 ILE 37 2HG1 ILE 37 51.321 -3.253 1.866 254 2HG1 ILE 37 1HG1 ILE 37 49.996 -2.396 1.092 255 1HG2 ILE 37 2HG2 ILE 37 53.209 -4.232 0.311 256 2HG2 ILE 37 1HG2 ILE 37 51.906 -5.003 -0.595 257 3HG2 ILE 37 3HG2 ILE 37 53.047 -3.941 -1.422 258 1HD1 ILE 37 3HD1 ILE 37 50.209 -4.965 -0.126 259 2HD1 ILE 37 2HD1 ILE 37 50.230 -5.190 1.624 260 3HD1 ILE 37 1HD1 ILE 37 48.890 -4.331 0.861 261 H GLY 38 H GLY 38 51.931 -0.465 -2.142 262 1HA GLY 38 2HA GLY 38 54.051 -1.349 -3.778 263 2HA GLY 38 1HA GLY 38 53.045 0.070 -4.076 264 H ILE 39 H ILE 39 53.883 1.061 -1.320 265 HA ILE 39 HA ILE 39 56.302 2.423 -2.239 266 HB ILE 39 HB ILE 39 55.000 2.957 0.395 267 1HG1 ILE 39 2HG1 ILE 39 53.063 2.956 -0.956 268 2HG1 ILE 39 1HG1 ILE 39 53.530 4.630 -0.761 269 1HG2 ILE 39 1HG2 ILE 39 57.122 4.058 -0.663 270 2HG2 ILE 39 3HG2 ILE 39 55.927 5.009 -1.546 271 3HG2 ILE 39 2HG2 ILE 39 55.945 5.033 0.219 272 1HD1 ILE 39 3HD1 ILE 39 54.709 4.439 -3.002 273 2HD1 ILE 39 2HD1 ILE 39 53.865 2.900 -3.203 274 3HD1 ILE 39 1HD1 ILE 39 52.948 4.395 -3.039 275 H LYS 40 H LYS 40 55.144 0.592 0.543 276 HA LYS 40 HA LYS 40 57.487 0.461 2.031 277 1HB LYS 40 2HB LYS 40 54.949 -0.760 2.089 278 2HB LYS 40 1HB LYS 40 56.124 -2.037 2.096 279 1HG LYS 40 2HG LYS 40 55.919 -1.655 4.342 280 2HG LYS 40 1HG LYS 40 57.330 -0.686 3.930 281 1HD LYS 40 2HD LYS 40 54.492 0.304 4.233 282 2HD LYS 40 1HD LYS 40 55.814 0.567 5.366 283 1HE LYS 40 2HE LYS 40 55.743 1.569 2.509 284 2HE LYS 40 1HE LYS 40 55.409 2.527 3.932 285 1HZ LYS 40 2HZ LYS 40 57.900 1.151 4.113 286 2HZ LYS 40 1HZ LYS 40 57.835 2.218 2.794 287 3HZ LYS 40 3HZ LYS 40 57.546 2.794 4.362 288 H LEU 41 H LEU 41 56.409 -1.555 -0.659 289 HA LEU 41 HA LEU 41 58.508 -3.431 -0.612 290 1HB LEU 41 2HB LEU 41 56.676 -2.439 -2.781 291 2HB LEU 41 1HB LEU 41 57.889 -3.673 -3.090 292 HG LEU 41 HG LEU 41 55.719 -3.837 -0.992 293 1HD1 LEU 41 2HD1 LEU 41 54.916 -3.928 -3.362 294 2HD1 LEU 41 1HD1 LEU 41 55.902 -5.377 -3.578 295 3HD1 LEU 41 3HD1 LEU 41 54.574 -5.377 -2.414 296 1HD2 LEU 41 1HD2 LEU 41 58.133 -5.359 -1.359 297 2HD2 LEU 41 3HD2 LEU 41 56.900 -5.510 -0.106 298 3HD2 LEU 41 2HD2 LEU 41 56.730 -6.393 -1.623 299 H PHE 42 H PHE 42 58.148 -0.320 -2.259 300 HA PHE 42 HA PHE 42 60.490 -0.374 -3.796 301 1HB PHE 42 2HB PHE 42 58.473 1.311 -3.693 302 2HB PHE 42 1HB PHE 42 59.536 2.178 -2.591 303 HD1 PHE 42 HD2 PHE 42 59.454 0.630 -5.980 304 HD2 PHE 42 HD1 PHE 42 61.174 3.598 -3.438 305 HE1 PHE 42 HE2 PHE 42 60.661 1.581 -7.906 306 HE2 PHE 42 HE1 PHE 42 62.381 4.549 -5.365 307 HZ PHE 42 HZ PHE 42 62.125 3.540 -7.600 308 H LYS 43 H LYS 43 59.904 0.842 -0.529 309 HA LYS 43 HA LYS 43 62.398 1.929 0.024 310 1HB LYS 43 2HB LYS 43 60.333 0.645 1.778 311 2HB LYS 43 1HB LYS 43 61.761 1.468 2.413 312 1HG LYS 43 2HG LYS 43 60.456 3.038 0.355 313 2HG LYS 43 1HG LYS 43 59.334 2.633 1.637 314 1HD LYS 43 2HD LYS 43 60.763 3.629 3.317 315 2HD LYS 43 1HD LYS 43 62.049 3.870 2.140 316 1HE LYS 43 2HE LYS 43 59.699 5.522 2.729 317 2HE LYS 43 1HE LYS 43 61.237 5.963 1.990 318 1HZ LYS 43 3HZ LYS 43 60.433 5.007 -0.101 319 2HZ LYS 43 2HZ LYS 43 58.936 4.665 0.626 320 3HZ LYS 43 1HZ LYS 43 59.445 6.275 0.438 321 H LYS 44 H LYS 44 61.284 -1.417 0.325 322 HA LYS 44 HA LYS 44 63.321 -2.535 1.788 323 1HB LYS 44 2HB LYS 44 61.811 -4.154 1.400 324 2HB LYS 44 1HB LYS 44 61.321 -3.469 -0.128 325 1HG LYS 44 2HG LYS 44 62.202 -5.781 -0.292 326 2HG LYS 44 1HG LYS 44 63.066 -4.627 -1.299 327 1HD LYS 44 2HD LYS 44 65.012 -4.816 -0.061 328 2HD LYS 44 1HD LYS 44 64.144 -5.112 1.437 329 1HE LYS 44 2HE LYS 44 64.958 -7.064 -0.702 330 2HE LYS 44 1HE LYS 44 65.141 -7.191 1.044 331 1HZ LYS 44 2HZ LYS 44 62.568 -7.237 1.005 332 2HZ LYS 44 1HZ LYS 44 62.770 -7.705 -0.616 333 3HZ LYS 44 3HZ LYS 44 63.443 -8.643 0.626 334 H PHE 45 H PHE 45 63.265 -2.780 -1.763 335 HA PHE 45 HA PHE 45 65.957 -3.475 -2.029 336 1HB PHE 45 2HB PHE 45 63.966 -2.262 -3.918 337 2HB PHE 45 1HB PHE 45 65.587 -2.663 -4.411 338 HD1 PHE 45 HD2 PHE 45 66.370 -5.107 -4.222 339 HD2 PHE 45 HD1 PHE 45 62.266 -3.931 -3.794 340 HE1 PHE 45 HE2 PHE 45 65.652 -7.418 -4.631 341 HE2 PHE 45 HE1 PHE 45 61.572 -6.250 -4.206 342 HZ PHE 45 HZ PHE 45 63.259 -7.994 -4.625 343 H THR 46 H THR 46 64.398 -0.324 -1.915 344 HA THR 46 HA THR 46 66.814 1.065 -2.691 345 HB THR 46 HB THR 46 65.448 3.071 -2.347 346 HG1 THR 46 HG1 THR 46 63.820 2.914 -1.051 347 1HG2 THR 46 2HG2 THR 46 65.366 1.598 -4.452 348 2HG2 THR 46 1HG2 THR 46 63.783 1.083 -3.863 349 3HG2 THR 46 3HG2 THR 46 64.079 2.785 -4.228 350 H SER 47 H SER 47 66.019 -0.445 0.096 351 HA SER 47 HA SER 47 67.460 1.555 1.728 352 1HB SER 47 2HB SER 47 66.116 1.009 3.625 353 2HB SER 47 1HB SER 47 65.027 1.375 2.292 354 HG SER 47 HG SER 47 64.654 -0.815 2.031 355 H LYS 48 H LYS 48 68.209 -1.009 0.197 356 HA LYS 48 HA LYS 48 68.827 -3.078 1.926 357 1HB LYS 48 2HB LYS 48 70.122 -2.061 -0.585 358 2HB LYS 48 1HB LYS 48 70.818 -3.417 0.295 359 1HG LYS 48 2HG LYS 48 67.907 -3.544 -0.312 360 2HG LYS 48 1HG LYS 48 69.019 -3.723 -1.664 361 1HD LYS 48 2HD LYS 48 69.243 -5.344 0.875 362 2HD LYS 48 1HD LYS 48 68.327 -5.877 -0.530 363 1HE LYS 48 2HE LYS 48 70.339 -5.808 -1.904 364 2HE LYS 48 1HE LYS 48 71.269 -5.174 -0.548 365 1HZ LYS 48 1HZ LYS 48 70.626 -7.262 0.656 366 2HZ LYS 48 3HZ LYS 48 70.052 -7.858 -0.823 367 3HZ LYS 48 2HZ LYS 48 71.695 -7.467 -0.649 368 H ALA 49 H ALA 49 70.822 -0.273 1.043 369 HA ALA 49 HA ALA 49 73.113 -0.717 2.410 370 1HB ALA 49 3HB ALA 49 71.547 1.789 1.929 371 2HB ALA 49 2HB ALA 49 73.047 1.841 2.860 372 3HB ALA 49 1HB ALA 49 73.063 1.263 1.192 373 H SER 50 H SER 50 70.601 1.337 3.857 374 HA SER 50 HA SER 50 69.931 1.648 6.025 375 1HB SER 50 2HB SER 50 70.702 -1.258 6.067 376 2HB SER 50 1HB SER 50 70.084 -0.443 7.499 377 HG SER 50 HG SER 50 68.670 -1.497 5.567 No H/Q in entry = 377 Start of MODEL 25 1 1H ALA 1 1H ALA 1 28.842 -29.450 14.897 2 2H ALA 1 3H ALA 1 30.127 -29.143 15.960 3 3H ALA 1 2H ALA 1 29.103 -30.470 16.231 4 HA ALA 1 HA ALA 1 28.183 -29.065 17.710 5 1HB ALA 1 3HB ALA 1 29.021 -26.827 15.843 6 2HB ALA 1 2HB ALA 1 28.096 -26.572 17.323 7 3HB ALA 1 1HB ALA 1 29.737 -27.225 17.407 8 H GLU 2 H GLU 2 26.673 -30.557 16.306 9 HA GLU 2 HA GLU 2 24.606 -30.872 15.365 10 1HB GLU 2 2HB GLU 2 24.309 -28.154 16.619 11 2HB GLU 2 1HB GLU 2 22.977 -28.937 15.774 12 1HG GLU 2 2HG GLU 2 23.164 -30.874 17.284 13 2HG GLU 2 1HG GLU 2 24.487 -30.076 18.136 14 H GLY 3 H GLY 3 22.938 -29.723 13.820 15 1HA GLY 3 2HA GLY 3 22.497 -28.811 11.760 16 2HA GLY 3 1HA GLY 3 23.866 -27.732 12.027 17 H ASP 4 H ASP 4 22.834 -29.565 9.745 18 HA ASP 4 HA ASP 4 24.974 -31.430 9.292 19 1HB ASP 4 2HB ASP 4 22.415 -31.094 8.298 20 2HB ASP 4 1HB ASP 4 23.447 -30.653 6.937 21 H ASP 5 H ASP 5 24.134 -28.206 8.173 22 HA ASP 5 HA ASP 5 26.758 -27.380 7.707 23 1HB ASP 5 2HB ASP 5 26.757 -29.010 5.884 24 2HB ASP 5 1HB ASP 5 25.307 -28.269 5.208 25 HA PRO 6 HA PRO 6 23.595 -24.065 7.587 26 1HB PRO 6 2HB PRO 6 24.652 -22.562 9.574 27 2HB PRO 6 1HB PRO 6 23.539 -23.908 9.857 28 1HG PRO 6 2HG PRO 6 26.441 -23.745 10.323 29 2HG PRO 6 1HG PRO 6 25.227 -24.776 11.095 30 1HD PRO 6 2HD PRO 6 27.050 -25.526 9.066 31 2HD PRO 6 1HD PRO 6 25.704 -26.486 9.707 32 H ALA 7 H ALA 7 27.109 -23.790 7.871 33 HA ALA 7 HA ALA 7 28.627 -22.297 7.004 34 1HB ALA 7 2HB ALA 7 26.618 -22.510 4.760 35 2HB ALA 7 1HB ALA 7 28.183 -21.709 4.599 36 3HB ALA 7 3HB ALA 7 28.109 -23.434 4.962 37 H LYS 8 H LYS 8 26.725 -21.109 8.733 38 HA LYS 8 HA LYS 8 25.626 -19.173 9.275 39 1HB LYS 8 2HB LYS 8 27.910 -17.790 8.066 40 2HB LYS 8 1HB LYS 8 27.129 -17.556 9.611 41 1HG LYS 8 2HG LYS 8 28.226 -19.415 10.587 42 2HG LYS 8 1HG LYS 8 28.760 -20.022 9.023 43 1HD LYS 8 2HD LYS 8 29.786 -17.650 10.586 44 2HD LYS 8 1HD LYS 8 30.683 -19.046 10.008 45 1HE LYS 8 2HE LYS 8 29.636 -16.709 8.399 46 2HE LYS 8 1HE LYS 8 31.307 -17.228 8.605 47 1HZ LYS 8 2HZ LYS 8 29.263 -18.927 7.291 48 2HZ LYS 8 1HZ LYS 8 30.224 -17.818 6.437 49 3HZ LYS 8 3HZ LYS 8 30.950 -19.107 7.265 50 H ALA 9 H ALA 9 24.045 -19.432 7.562 51 HA ALA 9 HA ALA 9 24.299 -17.914 5.121 52 1HB ALA 9 3HB ALA 9 22.542 -19.938 6.149 53 2HB ALA 9 2HB ALA 9 21.592 -18.571 5.562 54 3HB ALA 9 1HB ALA 9 22.738 -19.378 4.487 55 H ALA 10 H ALA 10 21.704 -17.789 7.544 56 HA ALA 10 HA ALA 10 20.782 -15.247 6.974 57 1HB ALA 10 1HB ALA 10 20.513 -17.151 9.159 58 2HB ALA 10 3HB ALA 10 20.426 -15.478 9.716 59 3HB ALA 10 2HB ALA 10 19.317 -16.052 8.469 60 H PHE 11 H PHE 11 23.106 -16.143 9.526 61 HA PHE 11 HA PHE 11 23.672 -13.629 10.533 62 1HB PHE 11 2HB PHE 11 24.737 -16.175 10.844 63 2HB PHE 11 1HB PHE 11 26.087 -15.223 10.246 64 HD1 PHE 11 HD1 PHE 11 26.161 -12.761 11.363 65 HD2 PHE 11 HD2 PHE 11 24.571 -16.288 13.193 66 HE1 PHE 11 HE1 PHE 11 26.518 -11.775 13.590 67 HE2 PHE 11 HE2 PHE 11 24.933 -15.293 15.411 68 HZ PHE 11 HZ PHE 11 25.905 -13.039 15.613 69 H ASN 12 H ASN 12 25.361 -15.290 7.869 70 HA ASN 12 HA ASN 12 27.041 -13.107 7.202 71 1HB ASN 12 2HB ASN 12 27.379 -15.517 6.535 72 2HB ASN 12 1HB ASN 12 26.102 -15.291 5.339 73 1HD2 ASN 12 2HD2 ASN 12 29.729 -14.424 4.232 74 2HD2 ASN 12 1HD2 ASN 12 29.212 -15.598 5.390 75 H SER 13 H SER 13 23.814 -14.060 6.253 76 HA SER 13 HA SER 13 23.464 -12.377 4.020 77 1HB SER 13 2HB SER 13 21.745 -13.967 5.757 78 2HB SER 13 1HB SER 13 20.976 -12.467 5.256 79 HG SER 13 HG SER 13 21.124 -14.617 3.840 80 H LEU 14 H LEU 14 23.021 -11.824 7.471 81 HA LEU 14 HA LEU 14 21.800 -9.330 7.434 82 1HB LEU 14 2HB LEU 14 22.206 -10.729 9.452 83 2HB LEU 14 1HB LEU 14 23.909 -10.290 9.363 84 HG LEU 14 HG LEU 14 22.986 -7.828 9.373 85 1HD1 LEU 14 1HD1 LEU 14 20.592 -8.568 9.177 86 2HD1 LEU 14 3HD1 LEU 14 20.713 -9.211 10.817 87 3HD1 LEU 14 2HD1 LEU 14 20.906 -7.481 10.530 88 1HD2 LEU 14 2HD2 LEU 14 23.113 -9.600 11.825 89 2HD2 LEU 14 1HD2 LEU 14 24.356 -8.505 11.203 90 3HD2 LEU 14 3HD2 LEU 14 22.880 -7.856 11.918 91 H GLN 15 H GLN 15 25.188 -10.195 7.043 92 HA GLN 15 HA GLN 15 26.276 -7.585 7.189 93 1HB GLN 15 2HB GLN 15 27.577 -9.698 7.368 94 2HB GLN 15 1HB GLN 15 27.329 -9.957 5.645 95 1HG GLN 15 2HG GLN 15 29.434 -8.945 5.722 96 2HG GLN 15 1HG GLN 15 28.361 -7.589 5.376 97 1HE2 GLN 15 2HD2 GLN 15 30.276 -6.142 8.005 98 2HE2 GLN 15 1HD2 GLN 15 30.209 -6.368 6.294 99 H ALA 16 H ALA 16 24.696 -9.367 4.660 100 HA ALA 16 HA ALA 16 25.580 -7.788 2.461 101 1HB ALA 16 1HB ALA 16 24.637 -10.076 2.249 102 2HB ALA 16 3HB ALA 16 23.055 -9.428 2.687 103 3HB ALA 16 2HB ALA 16 23.844 -8.899 1.199 104 H SER 17 H SER 17 23.563 -6.998 5.019 105 HA SER 17 HA SER 17 21.876 -5.184 3.464 106 1HB SER 17 2HB SER 17 21.404 -6.682 5.727 107 2HB SER 17 1HB SER 17 21.655 -5.064 6.374 108 HG SER 17 HG SER 17 19.669 -6.024 4.628 109 H ALA 18 H ALA 18 24.700 -5.183 5.462 110 HA ALA 18 HA ALA 18 24.628 -2.259 5.755 111 1HB ALA 18 3HB ALA 18 26.130 -4.470 7.092 112 2HB ALA 18 2HB ALA 18 26.793 -2.835 7.106 113 3HB ALA 18 1HB ALA 18 25.205 -3.151 7.809 114 H THR 19 H THR 19 25.005 -3.287 3.166 115 HA THR 19 HA THR 19 27.873 -2.984 2.614 116 HB THR 19 HB THR 19 27.298 -3.701 0.344 117 HG1 THR 19 HG1 THR 19 25.203 -2.813 0.247 118 1HG2 THR 19 3HG2 THR 19 26.429 -5.354 2.686 119 2HG2 THR 19 2HG2 THR 19 26.165 -5.966 1.053 120 3HG2 THR 19 1HG2 THR 19 27.800 -5.585 1.597 121 H GLU 20 H GLU 20 25.984 -0.777 3.424 122 HA GLU 20 HA GLU 20 26.062 0.909 1.036 123 1HB GLU 20 2HB GLU 20 24.060 0.564 2.759 124 2HB GLU 20 1HB GLU 20 24.904 1.854 3.604 125 1HG GLU 20 2HG GLU 20 24.854 3.137 1.398 126 2HG GLU 20 1HG GLU 20 23.696 1.928 0.839 127 H TYR 21 H TYR 21 27.715 0.348 3.931 128 HA TYR 21 HA TYR 21 28.964 3.008 3.931 129 1HB TYR 21 2HB TYR 21 28.633 0.848 5.949 130 2HB TYR 21 1HB TYR 21 30.049 1.880 6.069 131 HD1 TYR 21 HD2 TYR 21 29.769 4.336 6.390 132 HD2 TYR 21 HD1 TYR 21 26.450 1.645 6.510 133 HE1 TYR 21 HE2 TYR 21 28.404 6.060 7.498 134 HE2 TYR 21 HE1 TYR 21 25.094 3.377 7.618 135 HH TYR 21 HH TYR 21 26.011 5.710 9.194 136 H ILE 22 H ILE 22 29.551 -0.282 3.075 137 HA ILE 22 HA ILE 22 32.429 -0.068 3.193 138 HB ILE 22 HB ILE 22 30.533 -2.164 2.123 139 1HG1 ILE 22 2HG1 ILE 22 30.945 -1.832 4.645 140 2HG1 ILE 22 1HG1 ILE 22 31.110 -3.476 4.005 141 1HG2 ILE 22 3HG2 ILE 22 33.528 -2.044 1.859 142 2HG2 ILE 22 2HG2 ILE 22 32.700 -3.595 1.937 143 3HG2 ILE 22 1HG2 ILE 22 32.331 -2.464 0.632 144 1HD1 ILE 22 1HD1 ILE 22 33.684 -2.378 3.787 145 2HD1 ILE 22 3HD1 ILE 22 33.080 -1.825 5.350 146 3HD1 ILE 22 2HD1 ILE 22 33.119 -3.547 4.976 147 H GLY 23 H GLY 23 30.000 -0.191 0.592 148 1HA GLY 23 2HA GLY 23 31.430 -0.201 -1.660 149 2HA GLY 23 1HA GLY 23 30.032 0.850 -1.472 150 H TYR 24 H TYR 24 31.461 2.465 0.619 151 HA TYR 24 HA TYR 24 33.117 4.030 -1.253 152 1HB TYR 24 2HB TYR 24 31.992 5.095 1.309 153 2HB TYR 24 1HB TYR 24 32.448 5.965 -0.149 154 HD1 TYR 24 HD2 TYR 24 31.140 5.030 -2.325 155 HD2 TYR 24 HD1 TYR 24 29.671 4.943 1.695 156 HE1 TYR 24 HE2 TYR 24 28.824 4.913 -3.160 157 HE2 TYR 24 HE1 TYR 24 27.372 4.819 0.846 158 HH TYR 24 HH TYR 24 26.662 4.342 -2.523 159 H ALA 25 H ALA 25 33.059 2.646 1.987 160 HA ALA 25 HA ALA 25 35.637 3.742 2.698 161 1HB ALA 25 2HB ALA 25 33.497 2.768 4.124 162 2HB ALA 25 1HB ALA 25 34.687 1.474 4.276 163 3HB ALA 25 3HB ALA 25 35.097 3.112 4.785 164 H TRP 26 H TRP 26 34.578 1.085 0.858 165 HA TRP 26 HA TRP 26 36.906 -0.570 1.424 166 1HB TRP 26 2HB TRP 26 35.281 -2.055 1.126 167 2HB TRP 26 1HB TRP 26 34.276 -0.930 0.258 168 HD1 TRP 26 1HD TRP 26 34.001 -1.308 -2.229 169 HE1 TRP 26 1HE TRP 26 35.072 -2.841 -3.871 170 HE3 TRP 26 3HE TRP 26 37.871 -3.085 0.559 171 HZ2 TRP 26 2HZ TRP 26 37.277 -4.575 -4.124 172 HZ3 TRP 26 3HZ TRP 26 39.458 -4.680 -0.448 173 HH2 TRP 26 HH2 TRP 26 39.168 -5.416 -2.779 174 H ALA 27 H ALA 27 35.417 0.660 -1.558 175 HA ALA 27 HA ALA 27 37.510 0.202 -3.259 176 1HB ALA 27 3HB ALA 27 35.375 2.316 -3.199 177 2HB ALA 27 2HB ALA 27 36.616 2.347 -4.456 178 3HB ALA 27 1HB ALA 27 35.558 0.944 -4.295 179 H MET 28 H MET 28 36.966 3.137 -1.323 180 HA MET 28 HA MET 28 39.207 4.579 -2.157 181 1HB MET 28 2HB MET 28 37.237 4.762 -0.041 182 2HB MET 28 1HB MET 28 38.827 5.168 0.577 183 1HG MET 28 2HG MET 28 37.420 7.091 -0.341 184 2HG MET 28 1HG MET 28 39.072 6.984 -0.921 185 1HE MET 28 2HE MET 28 37.833 8.829 -2.416 186 2HE MET 28 1HE MET 28 39.050 8.092 -3.459 187 3HE MET 28 3HE MET 28 37.414 8.382 -4.070 188 H VAL 29 H VAL 29 38.829 2.242 0.472 189 HA VAL 29 HA VAL 29 41.347 2.463 1.636 190 HB VAL 29 HB VAL 29 39.103 0.677 1.736 191 1HG1 VAL 29 1HG1 VAL 29 41.783 -0.707 1.903 192 2HG1 VAL 29 3HG1 VAL 29 40.258 -1.382 2.482 193 3HG1 VAL 29 2HG1 VAL 29 40.482 -1.057 0.762 194 1HG2 VAL 29 3HG2 VAL 29 40.137 2.185 3.500 195 2HG2 VAL 29 2HG2 VAL 29 39.621 0.582 4.026 196 3HG2 VAL 29 1HG2 VAL 29 41.331 0.909 3.737 197 H VAL 30 H VAL 30 40.309 0.285 -0.987 198 HA VAL 30 HA VAL 30 42.646 -1.067 -1.472 199 HB VAL 30 HB VAL 30 40.663 -0.022 -3.486 200 1HG1 VAL 30 2HG1 VAL 30 42.801 -2.117 -3.609 201 2HG1 VAL 30 1HG1 VAL 30 41.404 -2.153 -4.688 202 3HG1 VAL 30 3HG1 VAL 30 42.504 -0.774 -4.714 203 1HG2 VAL 30 1HG2 VAL 30 40.625 -2.277 -1.551 204 2HG2 VAL 30 3HG2 VAL 30 39.302 -1.270 -2.143 205 3HG2 VAL 30 2HG2 VAL 30 39.948 -2.564 -3.155 206 H VAL 31 H VAL 31 41.803 2.230 -2.324 207 HA VAL 31 HA VAL 31 44.090 2.611 -4.030 208 HB VAL 31 HB VAL 31 42.068 4.521 -2.877 209 1HG1 VAL 31 3HG1 VAL 31 44.192 4.967 -4.967 210 2HG1 VAL 31 2HG1 VAL 31 42.885 6.095 -4.597 211 3HG1 VAL 31 1HG1 VAL 31 44.100 5.716 -3.374 212 1HG2 VAL 31 1HG2 VAL 31 41.309 2.733 -4.524 213 2HG2 VAL 31 3HG2 VAL 31 40.956 4.405 -4.963 214 3HG2 VAL 31 2HG2 VAL 31 42.307 3.560 -5.723 215 H ILE 32 H ILE 32 43.457 2.759 -0.682 216 HA ILE 32 HA ILE 32 45.762 4.506 -0.172 217 HB ILE 32 HB ILE 32 43.678 3.413 1.711 218 1HG1 ILE 32 2HG1 ILE 32 44.010 6.147 0.470 219 2HG1 ILE 32 1HG1 ILE 32 42.720 4.995 0.138 220 1HG2 ILE 32 1HG2 ILE 32 45.947 3.928 2.692 221 2HG2 ILE 32 3HG2 ILE 32 45.673 5.610 2.231 222 3HG2 ILE 32 2HG2 ILE 32 44.595 4.825 3.387 223 1HD1 ILE 32 3HD1 ILE 32 42.303 5.132 2.717 224 2HD1 ILE 32 2HD1 ILE 32 43.196 6.649 2.593 225 3HD1 ILE 32 1HD1 ILE 32 41.709 6.423 1.670 226 H VAL 33 H VAL 33 44.491 1.296 0.700 227 HA VAL 33 HA VAL 33 46.795 0.542 2.175 228 HB VAL 33 HB VAL 33 44.355 -0.846 1.131 229 1HG1 VAL 33 3HG1 VAL 33 46.164 -2.476 0.940 230 2HG1 VAL 33 2HG1 VAL 33 46.606 -2.187 2.623 231 3HG1 VAL 33 1HG1 VAL 33 45.042 -2.905 2.230 232 1HG2 VAL 33 1HG2 VAL 33 45.048 0.541 3.490 233 2HG2 VAL 33 3HG2 VAL 33 43.541 -0.299 3.120 234 3HG2 VAL 33 2HG2 VAL 33 44.858 -1.161 3.921 235 H GLY 34 H GLY 34 45.522 -0.918 -0.843 236 1HA GLY 34 2HA GLY 34 47.827 -2.309 -1.543 237 2HA GLY 34 1HA GLY 34 46.599 -1.768 -2.688 238 H ALA 35 H ALA 35 47.076 1.072 -1.898 239 HA ALA 35 HA ALA 35 49.082 1.659 -3.854 240 1HB ALA 35 2HB ALA 35 47.648 3.461 -1.898 241 2HB ALA 35 1HB ALA 35 48.656 4.012 -3.238 242 3HB ALA 35 3HB ALA 35 47.163 3.127 -3.561 243 H THR 36 H THR 36 49.099 1.187 -0.431 244 HA THR 36 HA THR 36 51.582 2.623 -0.017 245 HB THR 36 HB THR 36 49.520 2.078 1.625 246 HG1 THR 36 HG1 THR 36 50.796 3.464 2.535 247 1HG2 THR 36 2HG2 THR 36 51.576 -0.050 2.256 248 2HG2 THR 36 1HG2 THR 36 50.326 0.487 3.378 249 3HG2 THR 36 3HG2 THR 36 49.877 -0.295 1.862 250 H ILE 37 H ILE 37 50.537 -0.762 0.098 251 HA ILE 37 HA ILE 37 52.951 -2.000 0.601 252 HB ILE 37 HB ILE 37 50.684 -2.920 -1.170 253 1HG1 ILE 37 2HG1 ILE 37 51.233 -3.080 1.778 254 2HG1 ILE 37 1HG1 ILE 37 49.769 -2.576 0.952 255 1HG2 ILE 37 2HG2 ILE 37 53.193 -4.078 -0.976 256 2HG2 ILE 37 1HG2 ILE 37 52.221 -4.997 0.170 257 3HG2 ILE 37 3HG2 ILE 37 51.715 -4.875 -1.514 258 1HD1 ILE 37 2HD1 ILE 37 49.959 -5.158 0.112 259 2HD1 ILE 37 1HD1 ILE 37 50.627 -5.271 1.742 260 3HD1 ILE 37 3HD1 ILE 37 49.003 -4.623 1.495 261 H GLY 38 H GLY 38 51.720 -0.674 -2.405 262 1HA GLY 38 2HA GLY 38 53.594 -1.812 -4.185 263 2HA GLY 38 1HA GLY 38 52.688 -0.322 -4.457 264 H ILE 39 H ILE 39 53.541 1.399 -2.666 265 HA ILE 39 HA ILE 39 56.172 2.048 -3.593 266 HB ILE 39 HB ILE 39 54.518 3.391 -1.465 267 1HG1 ILE 39 2HG1 ILE 39 54.589 4.582 -4.141 268 2HG1 ILE 39 1HG1 ILE 39 53.802 3.013 -4.091 269 1HG2 ILE 39 2HG2 ILE 39 57.141 3.832 -2.344 270 2HG2 ILE 39 1HG2 ILE 39 56.165 5.105 -3.075 271 3HG2 ILE 39 3HG2 ILE 39 56.154 4.884 -1.326 272 1HD1 ILE 39 2HD1 ILE 39 52.705 4.180 -1.902 273 2HD1 ILE 39 1HD1 ILE 39 52.952 5.590 -2.933 274 3HD1 ILE 39 3HD1 ILE 39 51.982 4.234 -3.510 275 H LYS 40 H LYS 40 54.809 0.811 -0.577 276 HA LYS 40 HA LYS 40 57.118 1.151 1.023 277 1HB LYS 40 2HB LYS 40 54.531 -0.015 1.330 278 2HB LYS 40 1HB LYS 40 55.736 -1.184 1.828 279 1HG LYS 40 2HG LYS 40 55.507 -0.110 3.807 280 2HG LYS 40 1HG LYS 40 56.771 0.893 3.109 281 1HD LYS 40 2HD LYS 40 53.796 1.467 3.111 282 2HD LYS 40 1HD LYS 40 55.001 2.269 4.101 283 1HE LYS 40 2HE LYS 40 55.881 3.458 2.282 284 2HE LYS 40 1HE LYS 40 55.186 2.351 1.092 285 1HZ LYS 40 3HZ LYS 40 52.966 3.173 2.062 286 2HZ LYS 40 2HZ LYS 40 53.882 4.488 2.626 287 3HZ LYS 40 1HZ LYS 40 53.807 4.152 0.962 288 H LEU 41 H LEU 41 55.982 -1.506 -0.993 289 HA LEU 41 HA LEU 41 57.879 -3.440 -0.412 290 1HB LEU 41 2HB LEU 41 56.235 -2.757 -2.796 291 2HB LEU 41 1HB LEU 41 57.535 -3.921 -3.008 292 HG LEU 41 HG LEU 41 55.281 -4.095 -1.002 293 1HD1 LEU 41 3HD1 LEU 41 54.649 -4.529 -3.360 294 2HD1 LEU 41 2HD1 LEU 41 55.843 -5.827 -3.408 295 3HD1 LEU 41 1HD1 LEU 41 54.461 -5.939 -2.317 296 1HD2 LEU 41 2HD2 LEU 41 57.844 -5.509 -1.172 297 2HD2 LEU 41 1HD2 LEU 41 56.699 -5.391 0.166 298 3HD2 LEU 41 3HD2 LEU 41 56.446 -6.582 -1.111 299 H PHE 42 H PHE 42 58.228 -0.453 -2.120 300 HA PHE 42 HA PHE 42 60.736 -1.167 -3.380 301 1HB PHE 42 2HB PHE 42 59.079 0.429 -4.368 302 2HB PHE 42 1HB PHE 42 59.473 1.558 -3.080 303 HD1 PHE 42 HD1 PHE 42 61.645 2.670 -3.021 304 HD2 PHE 42 HD2 PHE 42 60.620 -0.034 -6.163 305 HE1 PHE 42 HE1 PHE 42 63.539 3.506 -4.361 306 HE2 PHE 42 HE2 PHE 42 62.511 0.803 -7.502 307 HZ PHE 42 HZ PHE 42 63.971 2.573 -6.601 308 H LYS 43 H LYS 43 59.729 1.127 -0.829 309 HA LYS 43 HA LYS 43 62.258 2.011 -0.090 310 1HB LYS 43 2HB LYS 43 59.812 1.621 1.621 311 2HB LYS 43 1HB LYS 43 61.233 2.537 2.117 312 1HG LYS 43 2HG LYS 43 59.785 3.186 -0.445 313 2HG LYS 43 1HG LYS 43 59.202 3.803 1.086 314 1HD LYS 43 2HD LYS 43 60.650 5.494 0.993 315 2HD LYS 43 1HD LYS 43 61.996 4.367 0.980 316 1HE LYS 43 2HE LYS 43 61.698 6.077 -0.974 317 2HE LYS 43 1HE LYS 43 62.193 4.427 -1.334 318 1HZ LYS 43 1HZ LYS 43 59.330 5.020 -1.286 319 2HZ LYS 43 3HZ LYS 43 60.232 5.601 -2.600 320 3HZ LYS 43 2HZ LYS 43 60.199 3.937 -2.264 321 H LYS 44 H LYS 44 60.660 -0.986 0.560 322 HA LYS 44 HA LYS 44 62.037 -1.849 2.833 323 1HB LYS 44 2HB LYS 44 60.201 -3.144 2.299 324 2HB LYS 44 1HB LYS 44 60.587 -3.197 0.594 325 1HG LYS 44 2HG LYS 44 60.856 -5.385 1.801 326 2HG LYS 44 1HG LYS 44 62.285 -4.826 0.924 327 1HD LYS 44 2HD LYS 44 62.525 -5.754 3.462 328 2HD LYS 44 1HD LYS 44 63.515 -4.427 2.855 329 1HE LYS 44 2HE LYS 44 62.640 -2.971 4.316 330 2HE LYS 44 1HE LYS 44 60.990 -3.484 3.993 331 1HZ LYS 44 1HZ LYS 44 61.707 -5.550 5.356 332 2HZ LYS 44 3HZ LYS 44 62.905 -4.512 5.963 333 3HZ LYS 44 2HZ LYS 44 61.263 -4.117 6.154 334 H PHE 45 H PHE 45 62.685 -3.230 -0.394 335 HA PHE 45 HA PHE 45 65.236 -4.164 0.259 336 1HB PHE 45 2HB PHE 45 63.860 -3.566 -2.347 337 2HB PHE 45 1HB PHE 45 65.485 -4.195 -2.291 338 HD1 PHE 45 HD2 PHE 45 65.889 -6.456 -1.116 339 HD2 PHE 45 HD1 PHE 45 61.980 -5.013 -2.146 340 HE1 PHE 45 HE2 PHE 45 64.983 -8.728 -0.914 341 HE2 PHE 45 HE1 PHE 45 61.098 -7.296 -1.939 342 HZ PHE 45 HZ PHE 45 62.593 -9.151 -1.325 343 H THR 46 H THR 46 64.171 -1.086 -1.069 344 HA THR 46 HA THR 46 66.816 -0.207 -1.745 345 HB THR 46 HB THR 46 65.735 1.905 -2.228 346 HG1 THR 46 HG1 THR 46 63.410 1.994 -1.849 347 1HG2 THR 46 1HG2 THR 46 65.137 -0.553 -3.437 348 2HG2 THR 46 3HG2 THR 46 63.607 0.323 -3.350 349 3HG2 THR 46 2HG2 THR 46 64.997 1.054 -4.154 350 H SER 47 H SER 47 64.487 1.276 0.483 351 HA SER 47 HA SER 47 66.685 2.243 2.144 352 1HB SER 47 2HB SER 47 63.732 2.654 2.589 353 2HB SER 47 1HB SER 47 65.064 3.607 3.232 354 HG SER 47 HG SER 47 65.457 4.392 1.170 355 H LYS 48 H LYS 48 66.869 -0.339 2.347 356 HA LYS 48 HA LYS 48 65.274 -1.860 3.953 357 1HB LYS 48 2HB LYS 48 68.280 -1.863 4.036 358 2HB LYS 48 1HB LYS 48 67.206 -3.205 4.399 359 1HG LYS 48 2HG LYS 48 67.300 -3.820 2.253 360 2HG LYS 48 1HG LYS 48 66.555 -2.288 1.796 361 1HD LYS 48 2HD LYS 48 68.727 -2.681 0.662 362 2HD LYS 48 1HD LYS 48 68.718 -1.224 1.652 363 1HE LYS 48 2HE LYS 48 70.102 -2.156 3.267 364 2HE LYS 48 1HE LYS 48 69.666 -3.807 2.832 365 1HZ LYS 48 1HZ LYS 48 71.103 -2.111 0.906 366 2HZ LYS 48 3HZ LYS 48 71.957 -2.872 2.158 367 3HZ LYS 48 2HZ LYS 48 71.081 -3.804 1.040 368 H ALA 49 H ALA 49 67.962 0.206 5.027 369 HA ALA 49 HA ALA 49 68.583 0.908 7.116 370 1HB ALA 49 2HB ALA 49 66.571 2.328 6.408 371 2HB ALA 49 1HB ALA 49 65.642 1.358 7.553 372 3HB ALA 49 3HB ALA 49 66.998 2.333 8.121 373 H SER 50 H SER 50 67.400 0.922 9.573 374 HA SER 50 HA SER 50 67.952 -1.643 10.567 375 1HB SER 50 2HB SER 50 66.867 -0.780 12.666 376 2HB SER 50 1HB SER 50 68.158 0.231 12.025 377 HG SER 50 HG SER 50 65.366 0.621 11.573 No H/Q in entry = 377
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