NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1422 | 1ak8 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 0 H MET 0 -10.453 -23.198 6.636 2 HA MET 0 HA MET 0 -9.591 -25.980 6.469 3 1HB MET 0 1HB MET 0 -12.258 -24.767 7.069 4 2HB MET 0 2HB MET 0 -12.314 -26.020 5.845 5 1HG MET 0 1HG MET 0 -11.244 -27.635 7.358 6 2HG MET 0 2HG MET 0 -10.953 -26.390 8.556 7 1HE MET 0 3HE MET 0 -11.792 -27.773 10.186 8 2HE MET 0 1HE MET 0 -12.849 -26.459 10.756 9 3HE MET 0 2HE MET 0 -13.497 -28.107 10.572 10 H ALA 1 H ALA 1 -11.548 -23.365 4.874 11 HA ALA 1 HA ALA 1 -10.229 -23.968 2.376 12 1HB ALA 1 2HB ALA 1 -12.984 -24.831 3.019 13 2HB ALA 1 3HB ALA 1 -12.843 -23.895 1.511 14 3HB ALA 1 1HB ALA 1 -11.884 -25.379 1.731 15 H ASP 2 H ASP 2 -11.612 -22.401 0.643 16 HA ASP 2 HA ASP 2 -11.593 -19.844 2.039 17 1HB ASP 2 1HB ASP 2 -10.439 -20.797 -0.485 18 2HB ASP 2 2HB ASP 2 -11.466 -19.404 -0.763 19 H GLN 3 H GLN 3 -12.902 -18.190 0.270 20 HA GLN 3 HA GLN 3 -15.032 -19.230 -1.106 21 1HB GLN 3 1HB GLN 3 -15.548 -19.756 1.495 22 2HB GLN 3 2HB GLN 3 -16.169 -18.118 1.442 23 1HG GLN 3 1HG GLN 3 -17.822 -18.648 -0.171 24 2HG GLN 3 2HG GLN 3 -16.962 -20.066 -0.737 25 1HE2 GLN 3 2HE2 GLN 3 -19.882 -21.179 1.255 26 2HE2 GLN 3 1HE2 GLN 3 -19.593 -20.237 -0.170 27 H LEU 4 H LEU 4 -16.192 -17.549 -2.176 28 HA LEU 4 HA LEU 4 -14.886 -15.113 -2.360 29 1HB LEU 4 1HB LEU 4 -17.072 -14.432 -3.519 30 2HB LEU 4 2HB LEU 4 -16.087 -15.702 -4.217 31 HG LEU 4 HG LEU 4 -18.077 -16.791 -2.388 32 1HD1 LEU 4 1HD1 LEU 4 -18.948 -14.672 -4.223 33 2HD1 LEU 4 2HD1 LEU 4 -19.820 -16.210 -4.426 34 3HD1 LEU 4 3HD1 LEU 4 -19.780 -15.413 -2.835 35 1HD2 LEU 4 3HD2 LEU 4 -16.636 -17.704 -4.486 36 2HD2 LEU 4 1HD2 LEU 4 -18.125 -18.473 -3.887 37 3HD2 LEU 4 2HD2 LEU 4 -18.192 -17.375 -5.286 38 H THR 5 H THR 5 -16.743 -13.054 -2.235 39 HA THR 5 HA THR 5 -17.529 -11.536 -0.812 40 HB THR 5 HB THR 5 -19.379 -12.266 0.440 41 HG1 THR 5 HG1 THR 5 -17.887 -14.744 0.898 42 1HG2 THR 5 3HG2 THR 5 -19.261 -13.572 -1.852 43 2HG2 THR 5 1HG2 THR 5 -18.814 -14.968 -0.841 44 3HG2 THR 5 2HG2 THR 5 -20.383 -14.161 -0.601 45 H GLU 6 H GLU 6 -17.871 -11.841 2.130 46 HA GLU 6 HA GLU 6 -15.737 -10.630 3.034 47 1HB GLU 6 1HB GLU 6 -17.426 -12.758 4.388 48 2HB GLU 6 2HB GLU 6 -16.161 -11.924 5.269 49 1HG GLU 6 1HG GLU 6 -17.277 -9.722 4.378 50 2HG GLU 6 2HG GLU 6 -18.653 -10.737 3.997 51 H GLU 7 H GLU 7 -16.024 -14.260 3.187 52 HA GLU 7 HA GLU 7 -13.640 -14.880 4.163 53 1HB GLU 7 1HB GLU 7 -15.355 -16.175 2.049 54 2HB GLU 7 2HB GLU 7 -13.780 -16.870 2.376 55 1HG GLU 7 1HG GLU 7 -15.075 -16.274 4.904 56 2HG GLU 7 2HG GLU 7 -16.193 -17.175 3.899 57 H GLN 8 H GLN 8 -14.324 -14.014 0.718 58 HA GLN 8 HA GLN 8 -11.902 -14.537 -0.355 59 1HB GLN 8 1HB GLN 8 -14.133 -13.534 -1.362 60 2HB GLN 8 2HB GLN 8 -13.357 -11.987 -1.088 61 1HG GLN 8 1HG GLN 8 -12.127 -12.253 -2.970 62 2HG GLN 8 2HG GLN 8 -11.395 -13.699 -2.302 63 1HE2 GLN 8 2HE2 GLN 8 -14.788 -13.995 -4.683 64 2HE2 GLN 8 1HE2 GLN 8 -14.489 -12.606 -3.691 65 H ILE 9 H ILE 9 -12.955 -11.446 1.239 66 HA ILE 9 HA ILE 9 -10.684 -9.990 0.916 67 HB ILE 9 HB ILE 9 -13.034 -9.663 2.191 68 1HG1 ILE 9 1HG1 ILE 9 -11.676 -7.528 3.165 69 2HG1 ILE 9 2HG1 ILE 9 -10.522 -8.094 1.974 70 1HG2 ILE 9 3HG2 ILE 9 -12.212 -10.951 4.161 71 2HG2 ILE 9 1HG2 ILE 9 -10.989 -9.686 4.424 72 3HG2 ILE 9 2HG2 ILE 9 -12.720 -9.287 4.539 73 1HD1 ILE 9 2HD1 ILE 9 -13.363 -8.039 1.056 74 2HD1 ILE 9 3HD1 ILE 9 -12.621 -6.453 1.377 75 3HD1 ILE 9 1HD1 ILE 9 -11.880 -7.561 0.197 76 H ALA 10 H ALA 10 -11.373 -12.493 3.429 77 HA ALA 10 HA ALA 10 -9.267 -12.261 5.062 78 1HB ALA 10 2HB ALA 10 -11.190 -14.099 4.695 79 2HB ALA 10 3HB ALA 10 -9.823 -15.008 4.006 80 3HB ALA 10 1HB ALA 10 -9.747 -14.423 5.686 81 H GLU 11 H GLU 11 -9.231 -13.474 1.684 82 HA GLU 11 HA GLU 11 -6.553 -14.326 1.829 83 1HB GLU 11 1HB GLU 11 -8.282 -13.647 -0.591 84 2HB GLU 11 2HB GLU 11 -6.750 -14.496 -0.658 85 1HG GLU 11 1HG GLU 11 -7.659 -16.339 0.712 86 2HG GLU 11 2HG GLU 11 -9.165 -15.471 0.938 87 H PHE 12 H PHE 12 -8.215 -11.383 0.524 88 HA PHE 12 HA PHE 12 -6.090 -10.113 -0.596 89 1HB PHE 12 1HB PHE 12 -8.559 -9.285 0.995 90 2HB PHE 12 2HB PHE 12 -7.454 -8.032 0.465 91 HD1 PHE 12 HD2 PHE 12 -9.529 -10.841 -0.803 92 HD2 PHE 12 HD1 PHE 12 -7.593 -7.175 -1.706 93 HE1 PHE 12 HE2 PHE 12 -10.648 -10.804 -3.049 94 HE2 PHE 12 HE1 PHE 12 -8.712 -7.138 -3.953 95 HZ PHE 12 HZ PHE 12 -10.227 -8.953 -4.597 96 H LYS 13 H LYS 13 -6.789 -10.630 2.848 97 HA LYS 13 HA LYS 13 -5.424 -8.646 4.067 98 1HB LYS 13 1HB LYS 13 -5.656 -11.585 4.729 99 2HB LYS 13 2HB LYS 13 -4.841 -10.458 5.795 100 1HG LYS 13 1HG LYS 13 -7.092 -9.024 5.410 101 2HG LYS 13 2HG LYS 13 -7.760 -10.604 5.056 102 1HD LYS 13 1HD LYS 13 -6.049 -10.473 7.503 103 2HD LYS 13 2HD LYS 13 -7.541 -9.556 7.589 104 1HE LYS 13 1HE LYS 13 -8.900 -11.473 7.329 105 2HE LYS 13 2HE LYS 13 -7.637 -12.392 6.535 106 1HZ LYS 13 3HZ LYS 13 -6.445 -12.287 8.711 107 2HZ LYS 13 1HZ LYS 13 -7.822 -11.718 9.380 108 3HZ LYS 13 2HZ LYS 13 -7.797 -13.202 8.699 109 H GLU 14 H GLU 14 -3.975 -11.736 2.818 110 HA GLU 14 HA GLU 14 -1.396 -11.139 3.482 111 1HB GLU 14 1HB GLU 14 -2.421 -12.707 1.074 112 2HB GLU 14 2HB GLU 14 -0.777 -12.771 1.679 113 1HG GLU 14 1HG GLU 14 -2.053 -13.316 4.000 114 2HG GLU 14 2HG GLU 14 -3.297 -13.877 2.901 115 H ALA 15 H ALA 15 -3.276 -10.277 0.523 116 HA ALA 15 HA ALA 15 -1.276 -9.261 -1.033 117 1HB ALA 15 2HB ALA 15 -4.051 -9.368 -1.062 118 2HB ALA 15 3HB ALA 15 -3.718 -7.620 -1.021 119 3HB ALA 15 1HB ALA 15 -3.026 -8.627 -2.315 120 H PHE 16 H PHE 16 -3.245 -7.478 1.451 121 HA PHE 16 HA PHE 16 -1.992 -5.053 1.209 122 1HB PHE 16 1HB PHE 16 -4.048 -5.706 2.577 123 2HB PHE 16 2HB PHE 16 -3.000 -6.532 3.714 124 HD1 PHE 16 HD1 PHE 16 -3.172 -3.150 2.120 125 HD2 PHE 16 HD2 PHE 16 -2.597 -5.402 5.670 126 HE1 PHE 16 HE1 PHE 16 -2.915 -1.023 3.428 127 HE2 PHE 16 HE2 PHE 16 -2.340 -3.275 6.978 128 HZ PHE 16 HZ PHE 16 -2.502 -1.111 5.842 129 H SER 17 H SER 17 -0.900 -8.030 2.837 130 HA SER 17 HA SER 17 1.018 -6.859 4.451 131 1HB SER 17 1HB SER 17 0.078 -9.433 3.960 132 2HB SER 17 2HB SER 17 1.723 -9.521 3.360 133 HG SER 17 HG SER 17 2.191 -9.848 5.434 134 H LEU 18 H LEU 18 1.251 -8.341 1.139 135 HA LEU 18 HA LEU 18 3.848 -8.202 0.602 136 1HB LEU 18 1HB LEU 18 1.395 -8.052 -0.904 137 2HB LEU 18 2HB LEU 18 2.623 -7.053 -1.657 138 HG LEU 18 HG LEU 18 4.045 -9.339 -1.164 139 1HD1 LEU 18 2HD1 LEU 18 1.236 -10.060 -1.015 140 2HD1 LEU 18 3HD1 LEU 18 2.065 -10.906 -2.344 141 3HD1 LEU 18 1HD1 LEU 18 2.689 -11.033 -0.682 142 1HD2 LEU 18 1HD2 LEU 18 3.493 -7.842 -3.306 143 2HD2 LEU 18 2HD2 LEU 18 4.252 -9.447 -3.422 144 3HD2 LEU 18 3HD2 LEU 18 2.505 -9.267 -3.710 145 H PHE 19 H PHE 19 1.615 -5.353 0.260 146 HA PHE 19 HA PHE 19 3.758 -3.577 -0.227 147 1HB PHE 19 1HB PHE 19 0.810 -3.402 0.589 148 2HB PHE 19 2HB PHE 19 1.763 -1.940 0.435 149 HD1 PHE 19 HD1 PHE 19 0.330 -4.784 -1.399 150 HD2 PHE 19 HD2 PHE 19 2.383 -1.085 -1.721 151 HE1 PHE 19 HE1 PHE 19 -0.137 -4.740 -3.865 152 HE2 PHE 19 HE2 PHE 19 1.917 -1.040 -4.187 153 HZ PHE 19 HZ PHE 19 0.662 -2.868 -5.229 154 H ASP 20 H ASP 20 1.847 -4.507 2.687 155 HA ASP 20 HA ASP 20 3.117 -2.536 4.275 156 1HB ASP 20 1HB ASP 20 0.965 -3.151 5.035 157 2HB ASP 20 2HB ASP 20 1.241 -4.858 4.750 158 H LYS 21 H LYS 21 5.396 -2.905 4.340 159 HA LYS 21 HA LYS 21 6.307 -5.604 4.930 160 1HB LYS 21 1HB LYS 21 7.332 -3.359 3.458 161 2HB LYS 21 2HB LYS 21 8.468 -3.764 4.729 162 1HG LYS 21 1HG LYS 21 7.311 -6.091 3.242 163 2HG LYS 21 2HG LYS 21 8.369 -5.049 2.311 164 1HD LYS 21 1HD LYS 21 10.239 -5.742 3.431 165 2HD LYS 21 2HD LYS 21 9.454 -5.641 4.995 166 1HE LYS 21 1HE LYS 21 8.240 -7.829 3.564 167 2HE LYS 21 2HE LYS 21 9.977 -7.995 3.397 168 1HZ LYS 21 2HZ LYS 21 9.946 -7.503 5.904 169 2HZ LYS 21 3HZ LYS 21 8.383 -7.970 5.830 170 3HZ LYS 21 1HZ LYS 21 9.566 -9.003 5.382 171 H ASP 22 H ASP 22 4.790 -3.703 6.833 172 HA ASP 22 HA ASP 22 6.873 -3.605 8.868 173 1HB ASP 22 1HB ASP 22 4.632 -1.815 8.131 174 2HB ASP 22 2HB ASP 22 4.676 -2.169 9.847 175 H GLY 23 H GLY 23 3.857 -4.997 7.771 176 1HA GLY 23 1HA GLY 23 2.441 -6.507 8.642 177 2HA GLY 23 2HA GLY 23 3.742 -6.979 9.716 178 H ASP 24 H ASP 24 2.853 -3.610 9.905 179 HA ASP 24 HA ASP 24 1.924 -4.040 12.557 180 1HB ASP 24 1HB ASP 24 1.692 -1.513 12.540 181 2HB ASP 24 2HB ASP 24 3.300 -2.097 12.160 182 H GLY 25 H GLY 25 0.628 -3.334 9.311 183 1HA GLY 25 1HA GLY 25 -1.667 -4.066 8.941 184 2HA GLY 25 2HA GLY 25 -2.106 -3.278 10.444 185 H THR 26 H THR 26 0.349 -1.634 8.577 186 HA THR 26 HA THR 26 -1.636 0.022 7.216 187 HB THR 26 HB THR 26 -0.295 2.045 8.181 188 HG1 THR 26 HG1 THR 26 1.403 1.148 9.316 189 1HG2 THR 26 3HG2 THR 26 -2.575 0.769 9.159 190 2HG2 THR 26 1HG2 THR 26 -1.490 0.742 10.570 191 3HG2 THR 26 2HG2 THR 26 -1.912 2.291 9.801 192 H ILE 27 H ILE 27 -0.784 1.264 5.453 193 HA ILE 27 HA ILE 27 1.873 0.320 4.629 194 HB ILE 27 HB ILE 27 -0.604 0.679 2.939 195 1HG1 ILE 27 1HG1 ILE 27 0.985 -1.803 3.655 196 2HG1 ILE 27 2HG1 ILE 27 -0.593 -1.379 4.287 197 1HG2 ILE 27 2HG2 ILE 27 1.677 1.392 1.949 198 2HG2 ILE 27 3HG2 ILE 27 2.037 -0.351 1.930 199 3HG2 ILE 27 1HG2 ILE 27 0.643 0.279 1.020 200 1HD1 ILE 27 2HD1 ILE 27 0.007 -1.763 1.318 201 2HD1 ILE 27 3HD1 ILE 27 -0.699 -3.009 2.375 202 3HD1 ILE 27 1HD1 ILE 27 -1.594 -1.505 2.052 203 H THR 28 H THR 28 3.165 2.061 5.034 204 HA THR 28 HA THR 28 2.148 4.729 4.645 205 HB THR 28 HB THR 28 3.684 4.070 6.526 206 HG1 THR 28 HG1 THR 28 3.942 6.238 5.990 207 1HG2 THR 28 2HG2 THR 28 5.530 3.491 4.170 208 2HG2 THR 28 3HG2 THR 28 6.187 3.999 5.745 209 3HG2 THR 28 1HG2 THR 28 5.245 2.495 5.618 210 H THR 29 H THR 29 4.731 5.812 3.691 211 HA THR 29 HA THR 29 4.139 5.543 0.880 212 HB THR 29 HB THR 29 6.052 7.323 0.850 213 HG1 THR 29 HG1 THR 29 6.638 7.987 2.987 214 1HG2 THR 29 2HG2 THR 29 3.520 7.866 1.002 215 2HG2 THR 29 3HG2 THR 29 3.761 7.980 2.762 216 3HG2 THR 29 1HG2 THR 29 4.623 9.093 1.671 217 H LYS 30 H LYS 30 7.167 5.198 2.858 218 HA LYS 30 HA LYS 30 8.730 4.123 0.914 219 1HB LYS 30 1HB LYS 30 9.165 4.762 3.429 220 2HB LYS 30 2HB LYS 30 8.885 3.057 3.718 221 1HG LYS 30 1HG LYS 30 10.688 2.408 2.235 222 2HG LYS 30 2HG LYS 30 10.830 4.028 1.583 223 1HD LYS 30 1HD LYS 30 12.097 4.771 3.347 224 2HD LYS 30 2HD LYS 30 11.131 3.917 4.534 225 1HE LYS 30 1HE LYS 30 13.066 2.467 2.675 226 2HE LYS 30 2HE LYS 30 13.572 3.114 4.223 227 1HZ LYS 30 1HZ LYS 30 11.220 1.675 4.587 228 2HZ LYS 30 2HZ LYS 30 12.255 0.739 3.738 229 3HZ LYS 30 3HZ LYS 30 12.706 1.353 5.182 230 H GLU 31 H GLU 31 6.660 2.263 3.254 231 HA GLU 31 HA GLU 31 7.181 -0.206 2.282 232 1HB GLU 31 1HB GLU 31 4.534 0.874 3.349 233 2HB GLU 31 2HB GLU 31 4.916 -0.830 3.190 234 1HG GLU 31 1HG GLU 31 6.807 -0.601 4.759 235 2HG GLU 31 2HG GLU 31 6.573 1.134 4.842 236 H LEU 32 H LEU 32 5.236 2.378 0.849 237 HA LEU 32 HA LEU 32 3.953 0.605 -1.021 238 1HB LEU 32 1HB LEU 32 3.185 2.904 0.073 239 2HB LEU 32 2HB LEU 32 3.976 3.566 -1.344 240 HG LEU 32 HG LEU 32 2.454 1.660 -2.525 241 1HD1 LEU 32 2HD1 LEU 32 1.182 2.271 0.105 242 2HD1 LEU 32 3HD1 LEU 32 0.135 2.132 -1.327 243 3HD1 LEU 32 1HD1 LEU 32 1.181 0.772 -0.854 244 1HD2 LEU 32 1HD2 LEU 32 2.154 4.559 -1.998 245 2HD2 LEU 32 2HD2 LEU 32 2.206 3.661 -3.534 246 3HD2 LEU 32 3HD2 LEU 32 0.702 3.712 -2.583 247 H GLY 33 H GLY 33 6.710 2.901 -0.908 248 1HA GLY 33 1HA GLY 33 7.248 2.650 -3.728 249 2HA GLY 33 2HA GLY 33 8.205 3.483 -2.520 250 H THR 34 H THR 34 7.383 0.342 -1.414 251 HA THR 34 HA THR 34 10.090 -0.573 -2.048 252 HB THR 34 HB THR 34 8.126 -0.872 0.174 253 HG1 THR 34 HG1 THR 34 10.077 -0.066 0.858 254 1HG2 THR 34 2HG2 THR 34 9.558 -3.230 -1.045 255 2HG2 THR 34 3HG2 THR 34 9.636 -3.051 0.724 256 3HG2 THR 34 1HG2 THR 34 8.059 -3.196 -0.087 257 H VAL 35 H VAL 35 6.849 -2.173 -1.731 258 HA VAL 35 HA VAL 35 7.423 -4.394 -3.170 259 HB VAL 35 HB VAL 35 4.976 -2.791 -2.629 260 1HG1 VAL 35 3HG1 VAL 35 5.174 -4.922 -4.758 261 2HG1 VAL 35 1HG1 VAL 35 3.664 -4.658 -3.852 262 3HG1 VAL 35 2HG1 VAL 35 4.363 -3.339 -4.822 263 1HG2 VAL 35 1HG2 VAL 35 6.035 -5.535 -1.980 264 2HG2 VAL 35 2HG2 VAL 35 5.495 -4.240 -0.884 265 3HG2 VAL 35 3HG2 VAL 35 4.300 -5.175 -1.814 266 H MET 36 H MET 36 6.877 -1.084 -4.347 267 HA MET 36 HA MET 36 6.258 -1.555 -6.939 268 1HB MET 36 1HB MET 36 8.101 0.543 -5.673 269 2HB MET 36 2HB MET 36 7.556 0.650 -7.335 270 1HG MET 36 1HG MET 36 5.293 0.149 -5.538 271 2HG MET 36 2HG MET 36 6.182 1.571 -5.030 272 1HE MET 36 2HE MET 36 3.515 0.292 -6.746 273 2HE MET 36 3HE MET 36 3.057 1.953 -6.300 274 3HE MET 36 1HE MET 36 3.045 1.456 -8.009 275 H ARG 37 H ARG 37 9.360 -2.030 -5.277 276 HA ARG 37 HA ARG 37 11.036 -1.971 -7.431 277 1HB ARG 37 1HB ARG 37 12.596 -3.199 -6.042 278 2HB ARG 37 2HB ARG 37 11.650 -2.196 -4.960 279 1HG ARG 37 1HG ARG 37 10.079 -4.425 -4.962 280 2HG ARG 37 2HG ARG 37 11.625 -5.178 -5.299 281 1HD ARG 37 1HD ARG 37 12.482 -4.686 -3.206 282 2HD ARG 37 2HD ARG 37 11.669 -3.136 -3.116 283 HE ARG 37 HE ARG 37 9.539 -4.791 -2.905 284 1HH1 ARG 37 2HH2 ARG 37 12.686 -4.955 -1.341 285 2HH1 ARG 37 1HH2 ARG 37 12.084 -5.752 0.074 286 1HH2 ARG 37 2HH1 ARG 37 8.743 -5.842 -1.039 287 2HH2 ARG 37 1HH1 ARG 37 9.826 -6.260 0.247 288 H SER 38 H SER 38 8.685 -4.412 -6.374 289 HA SER 38 HA SER 38 9.766 -6.558 -7.793 290 1HB SER 38 1HB SER 38 6.935 -5.970 -6.830 291 2HB SER 38 2HB SER 38 7.401 -7.499 -7.548 292 HG SER 38 HG SER 38 8.795 -6.385 -5.276 293 H LEU 39 H LEU 39 7.420 -3.948 -8.587 294 HA LEU 39 HA LEU 39 6.846 -5.084 -11.163 295 1HB LEU 39 1HB LEU 39 5.737 -3.102 -9.412 296 2HB LEU 39 2HB LEU 39 6.001 -2.388 -10.991 297 HG LEU 39 HG LEU 39 4.766 -4.445 -11.936 298 1HD1 LEU 39 3HD1 LEU 39 3.948 -4.655 -9.026 299 2HD1 LEU 39 1HD1 LEU 39 3.140 -5.478 -10.383 300 3HD1 LEU 39 2HD1 LEU 39 4.831 -5.867 -9.985 301 1HD2 LEU 39 3HD2 LEU 39 3.859 -2.164 -11.910 302 2HD2 LEU 39 1HD2 LEU 39 2.596 -3.386 -11.628 303 3HD2 LEU 39 2HD2 LEU 39 3.233 -2.434 -10.266 304 H GLY 40 H GLY 40 9.402 -3.295 -9.757 305 1HA GLY 40 1HA GLY 40 11.345 -2.737 -10.872 306 2HA GLY 40 2HA GLY 40 10.500 -2.765 -12.407 307 H GLN 41 H GLN 41 8.968 -1.093 -9.701 308 HA GLN 41 HA GLN 41 9.622 1.409 -11.043 309 1HB GLN 41 1HB GLN 41 7.211 0.554 -9.398 310 2HB GLN 41 2HB GLN 41 7.523 2.235 -9.779 311 1HG GLN 41 1HG GLN 41 7.072 1.961 -12.047 312 2HG GLN 41 2HG GLN 41 7.635 0.301 -12.074 313 1HE2 GLN 41 2HE2 GLN 41 3.949 0.908 -10.274 314 2HE2 GLN 41 1HE2 GLN 41 5.329 1.883 -9.891 315 H ASN 42 H ASN 42 9.282 3.361 -9.287 316 HA ASN 42 HA ASN 42 9.905 2.887 -6.662 317 1HB ASN 42 1HB ASN 42 12.115 2.118 -7.888 318 2HB ASN 42 2HB ASN 42 12.395 3.829 -8.146 319 1HD2 ASN 42 2HD2 ASN 42 14.137 3.825 -5.127 320 2HD2 ASN 42 1HD2 ASN 42 14.175 3.944 -6.855 321 HA PRO 43 HA PRO 43 8.943 7.129 -8.106 322 1HB PRO 43 1HB PRO 43 6.551 7.438 -6.819 323 2HB PRO 43 2HB PRO 43 6.683 6.895 -8.480 324 1HG PRO 43 1HG PRO 43 6.060 5.318 -6.058 325 2HG PRO 43 2HG PRO 43 5.784 4.904 -7.739 326 1HD PRO 43 1HD PRO 43 7.870 3.902 -6.044 327 2HD PRO 43 2HD PRO 43 7.662 3.578 -7.754 328 H THR 44 H THR 44 8.634 9.218 -6.916 329 HA THR 44 HA THR 44 10.312 9.052 -4.593 330 HB THR 44 HB THR 44 10.416 11.425 -4.853 331 HG1 THR 44 HG1 THR 44 7.843 10.941 -6.177 332 1HG2 THR 44 1HG2 THR 44 10.880 9.980 -7.100 333 2HG2 THR 44 2HG2 THR 44 9.463 10.899 -7.664 334 3HG2 THR 44 3HG2 THR 44 10.920 11.760 -7.111 335 H GLU 45 H GLU 45 9.612 10.544 -2.639 336 HA GLU 45 HA GLU 45 7.433 9.170 -1.510 337 1HB GLU 45 1HB GLU 45 9.646 10.630 -0.574 338 2HB GLU 45 2HB GLU 45 8.270 11.586 -0.062 339 1HG GLU 45 1HG GLU 45 7.250 9.353 0.804 340 2HG GLU 45 2HG GLU 45 8.847 8.666 0.578 341 H ALA 46 H ALA 46 7.623 11.834 -3.620 342 HA ALA 46 HA ALA 46 5.435 13.325 -2.509 343 1HB ALA 46 3HB ALA 46 7.529 13.941 -4.132 344 2HB ALA 46 1HB ALA 46 6.255 13.691 -5.348 345 3HB ALA 46 2HB ALA 46 6.028 14.895 -4.057 346 H GLU 47 H GLU 47 5.977 11.248 -5.444 347 HA GLU 47 HA GLU 47 3.393 11.350 -6.341 348 1HB GLU 47 1HB GLU 47 5.395 10.429 -7.568 349 2HB GLU 47 2HB GLU 47 5.318 8.994 -6.566 350 1HG GLU 47 1HG GLU 47 3.722 8.099 -7.902 351 2HG GLU 47 2HG GLU 47 2.673 9.474 -7.619 352 H LEU 48 H LEU 48 4.955 8.768 -4.303 353 HA LEU 48 HA LEU 48 2.810 7.161 -3.918 354 1HB LEU 48 1HB LEU 48 4.950 7.938 -1.932 355 2HB LEU 48 2HB LEU 48 3.864 6.574 -1.748 356 HG LEU 48 HG LEU 48 5.478 6.721 -4.258 357 1HD1 LEU 48 2HD1 LEU 48 7.093 7.343 -2.505 358 2HD1 LEU 48 3HD1 LEU 48 6.673 5.864 -1.607 359 3HD1 LEU 48 1HD1 LEU 48 7.438 5.745 -3.210 360 1HD2 LEU 48 3HD2 LEU 48 3.750 4.879 -3.159 361 2HD2 LEU 48 1HD2 LEU 48 4.935 4.564 -4.450 362 3HD2 LEU 48 2HD2 LEU 48 5.350 4.212 -2.755 363 H GLN 49 H GLN 49 3.722 9.971 -1.797 364 HA GLN 49 HA GLN 49 1.737 9.916 -0.052 365 1HB GLN 49 1HB GLN 49 3.637 11.710 -0.597 366 2HB GLN 49 2HB GLN 49 2.315 12.577 -1.353 367 1HG GLN 49 1HG GLN 49 2.210 13.398 0.842 368 2HG GLN 49 2HG GLN 49 1.025 12.109 0.899 369 1HE2 GLN 49 2HE2 GLN 49 2.551 10.735 3.678 370 2HE2 GLN 49 1HE2 GLN 49 1.133 11.317 2.870 371 H ASP 50 H ASP 50 1.498 11.209 -3.422 372 HA ASP 50 HA ASP 50 -1.111 12.104 -3.171 373 1HB ASP 50 1HB ASP 50 0.886 11.927 -5.192 374 2HB ASP 50 2HB ASP 50 -0.506 11.089 -5.849 375 H MET 51 H MET 51 0.377 8.979 -4.228 376 HA MET 51 HA MET 51 -1.980 7.791 -5.087 377 1HB MET 51 1HB MET 51 0.552 6.527 -3.894 378 2HB MET 51 2HB MET 51 -0.635 5.667 -4.855 379 1HG MET 51 1HG MET 51 -0.096 6.920 -6.843 380 2HG MET 51 2HG MET 51 0.775 8.141 -5.937 381 1HE MET 51 3HE MET 51 1.007 5.119 -8.051 382 2HE MET 51 1HE MET 51 1.898 6.591 -8.509 383 3HE MET 51 2HE MET 51 2.782 5.081 -8.182 384 H ILE 52 H ILE 52 -0.365 7.947 -1.876 385 HA ILE 52 HA ILE 52 -2.130 6.079 -0.670 386 HB ILE 52 HB ILE 52 -0.154 8.090 0.390 387 1HG1 ILE 52 1HG1 ILE 52 -0.134 5.135 -0.154 388 2HG1 ILE 52 2HG1 ILE 52 1.037 6.358 -0.608 389 1HG2 ILE 52 1HG2 ILE 52 -2.325 6.841 1.807 390 2HG2 ILE 52 2HG2 ILE 52 -0.769 6.220 2.408 391 3HG2 ILE 52 3HG2 ILE 52 -1.085 7.972 2.399 392 1HD1 ILE 52 3HD1 ILE 52 1.199 6.612 2.094 393 2HD1 ILE 52 1HD1 ILE 52 0.715 4.903 1.988 394 3HD1 ILE 52 2HD1 ILE 52 2.195 5.461 1.172 395 H ASN 53 H ASN 53 -2.219 9.521 -1.430 396 HA ASN 53 HA ASN 53 -4.357 9.967 0.426 397 1HB ASN 53 1HB ASN 53 -2.931 11.696 -1.647 398 2HB ASN 53 2HB ASN 53 -4.353 12.280 -0.805 399 1HD2 ASN 53 2HD2 ASN 53 -1.330 13.433 1.012 400 2HD2 ASN 53 1HD2 ASN 53 -1.995 13.594 -0.579 401 H GLU 54 H GLU 54 -4.192 8.253 -2.336 402 HA GLU 54 HA GLU 54 -6.443 9.499 -3.658 403 1HB GLU 54 1HB GLU 54 -4.504 7.295 -4.436 404 2HB GLU 54 2HB GLU 54 -5.973 7.573 -5.352 405 1HG GLU 54 1HG GLU 54 -4.735 10.138 -4.925 406 2HG GLU 54 2HG GLU 54 -3.480 9.038 -5.460 407 H VAL 55 H VAL 55 -5.674 7.006 -1.379 408 HA VAL 55 HA VAL 55 -8.336 5.831 -1.801 409 HB VAL 55 HB VAL 55 -7.036 3.916 -0.438 410 1HG1 VAL 55 3HG1 VAL 55 -8.317 3.819 -2.634 411 2HG1 VAL 55 1HG1 VAL 55 -6.766 4.142 -3.446 412 3HG1 VAL 55 2HG1 VAL 55 -6.965 2.673 -2.461 413 1HG2 VAL 55 3HG2 VAL 55 -4.921 5.391 -0.619 414 2HG2 VAL 55 1HG2 VAL 55 -4.779 3.663 -1.019 415 3HG2 VAL 55 2HG2 VAL 55 -4.878 4.872 -2.321 416 H ASP 56 H ASP 56 -5.805 6.930 0.505 417 HA ASP 56 HA ASP 56 -7.363 6.402 2.770 418 1HB ASP 56 1HB ASP 56 -4.944 6.646 2.949 419 2HB ASP 56 2HB ASP 56 -4.996 8.251 2.248 420 H ALA 57 H ALA 57 -9.423 7.420 2.749 421 HA ALA 57 HA ALA 57 -9.602 10.190 1.925 422 1HB ALA 57 2HB ALA 57 -11.659 8.143 2.850 423 2HB ALA 57 3HB ALA 57 -12.044 9.789 2.293 424 3HB ALA 57 1HB ALA 57 -11.309 8.620 1.171 425 H ASP 58 H ASP 58 -8.760 8.477 4.725 426 HA ASP 58 HA ASP 58 -10.133 10.162 6.559 427 1HB ASP 58 1HB ASP 58 -9.455 8.620 8.097 428 2HB ASP 58 2HB ASP 58 -8.960 7.670 6.710 429 H GLY 59 H GLY 59 -6.981 9.951 4.902 430 1HA GLY 59 1HA GLY 59 -5.358 11.505 4.653 431 2HA GLY 59 2HA GLY 59 -6.307 12.641 5.592 432 H ASN 60 H ASN 60 -5.406 9.366 6.743 433 HA ASN 60 HA ASN 60 -4.332 10.481 9.090 434 1HB ASN 60 1HB ASN 60 -3.782 8.093 9.646 435 2HB ASN 60 2HB ASN 60 -5.438 8.269 9.100 436 1HD2 ASN 60 2HD2 ASN 60 -4.364 5.343 7.301 437 2HD2 ASN 60 1HD2 ASN 60 -4.895 5.877 8.861 438 H GLY 61 H GLY 61 -3.129 9.663 5.907 439 1HA GLY 61 1HA GLY 61 -1.018 10.468 5.204 440 2HA GLY 61 2HA GLY 61 -0.370 10.175 6.806 441 H THR 62 H THR 62 -1.880 7.499 6.952 442 HA THR 62 HA THR 62 -0.033 6.010 5.204 443 HB THR 62 HB THR 62 0.081 6.042 7.888 444 HG1 THR 62 HG1 THR 62 1.428 4.525 6.981 445 1HG2 THR 62 2HG2 THR 62 -2.368 5.259 8.069 446 2HG2 THR 62 3HG2 THR 62 -1.844 3.737 7.308 447 3HG2 THR 62 1HG2 THR 62 -1.179 4.218 8.887 448 H ILE 63 H ILE 63 -0.979 3.548 5.120 449 HA ILE 63 HA ILE 63 -3.772 3.865 4.265 450 HB ILE 63 HB ILE 63 -1.526 2.402 2.875 451 1HG1 ILE 63 1HG1 ILE 63 -2.310 5.065 2.701 452 2HG1 ILE 63 2HG1 ILE 63 -1.318 4.182 1.558 453 1HG2 ILE 63 3HG2 ILE 63 -4.511 2.341 2.414 454 2HG2 ILE 63 1HG2 ILE 63 -3.330 1.928 1.147 455 3HG2 ILE 63 2HG2 ILE 63 -3.391 0.978 2.651 456 1HD1 ILE 63 3HD1 ILE 63 -4.350 4.043 1.411 457 2HD1 ILE 63 1HD1 ILE 63 -3.445 5.374 0.649 458 3HD1 ILE 63 2HD1 ILE 63 -3.161 3.694 0.133 459 H ASP 64 H ASP 64 -5.190 2.216 4.831 460 HA ASP 64 HA ASP 64 -4.032 0.311 6.687 461 1HB ASP 64 1HB ASP 64 -6.947 1.092 6.210 462 2HB ASP 64 2HB ASP 64 -6.388 0.005 7.466 463 H PHE 65 H PHE 65 -6.078 -1.664 6.647 464 HA PHE 65 HA PHE 65 -5.443 -3.014 4.216 465 1HB PHE 65 1HB PHE 65 -5.628 -4.221 6.353 466 2HB PHE 65 2HB PHE 65 -7.193 -3.507 6.688 467 HD1 PHE 65 HD2 PHE 65 -5.759 -5.365 3.774 468 HD2 PHE 65 HD1 PHE 65 -8.863 -5.083 6.653 469 HE1 PHE 65 HE2 PHE 65 -6.888 -7.360 2.752 470 HE2 PHE 65 HE1 PHE 65 -9.992 -7.078 5.631 471 HZ PHE 65 HZ PHE 65 -8.991 -8.193 3.693 472 HA PRO 66 HA PRO 66 -10.078 -2.228 3.554 473 1HB PRO 66 1HB PRO 66 -11.329 -0.293 5.023 474 2HB PRO 66 2HB PRO 66 -11.386 -1.995 5.435 475 1HG PRO 66 1HG PRO 66 -9.829 0.169 6.712 476 2HG PRO 66 2HG PRO 66 -10.232 -1.415 7.345 477 1HD PRO 66 1HD PRO 66 -7.700 -0.585 6.284 478 2HD PRO 66 2HD PRO 66 -8.138 -2.198 6.810 479 H GLU 67 H GLU 67 -7.944 0.385 4.227 480 HA GLU 67 HA GLU 67 -9.231 2.082 2.338 481 1HB GLU 67 1HB GLU 67 -6.442 2.433 3.499 482 2HB GLU 67 2HB GLU 67 -7.508 3.679 2.881 483 1HG GLU 67 1HG GLU 67 -8.690 2.042 5.069 484 2HG GLU 67 2HG GLU 67 -7.283 2.971 5.549 485 H PHE 68 H PHE 68 -6.838 -0.467 2.297 486 HA PHE 68 HA PHE 68 -5.746 0.429 -0.239 487 1HB PHE 68 1HB PHE 68 -4.044 -0.525 1.092 488 2HB PHE 68 2HB PHE 68 -5.171 -1.549 1.960 489 HD1 PHE 68 HD1 PHE 68 -6.065 -3.621 0.769 490 HD2 PHE 68 HD2 PHE 68 -2.748 -1.394 -0.661 491 HE1 PHE 68 HE1 PHE 68 -5.335 -5.590 -0.605 492 HE2 PHE 68 HE2 PHE 68 -2.018 -3.363 -2.035 493 HZ PHE 68 HZ PHE 68 -3.320 -5.438 -1.991 494 H LEU 69 H LEU 69 -8.025 -1.924 1.139 495 HA LEU 69 HA LEU 69 -8.107 -3.781 -0.887 496 1HB LEU 69 1HB LEU 69 -10.160 -2.739 1.045 497 2HB LEU 69 2HB LEU 69 -10.572 -3.966 -0.136 498 HG LEU 69 HG LEU 69 -8.169 -4.445 1.574 499 1HD1 LEU 69 2HD1 LEU 69 -10.807 -3.916 2.664 500 2HD1 LEU 69 3HD1 LEU 69 -10.268 -5.574 3.023 501 3HD1 LEU 69 1HD1 LEU 69 -9.257 -4.188 3.495 502 1HD2 LEU 69 1HD2 LEU 69 -9.038 -5.956 -0.302 503 2HD2 LEU 69 2HD2 LEU 69 -8.673 -6.712 1.267 504 3HD2 LEU 69 3HD2 LEU 69 -10.361 -6.373 0.813 505 H THR 70 H THR 70 -9.507 -0.493 -0.698 506 HA THR 70 HA THR 70 -11.173 -0.714 -2.948 507 HB THR 70 HB THR 70 -11.549 1.103 -1.441 508 HG1 THR 70 HG1 THR 70 -11.716 2.237 -3.343 509 1HG2 THR 70 3HG2 THR 70 -8.544 1.516 -1.684 510 2HG2 THR 70 1HG2 THR 70 -9.602 2.876 -1.239 511 3HG2 THR 70 2HG2 THR 70 -9.535 1.426 -0.208 512 H MET 71 H MET 71 -7.687 0.005 -2.586 513 HA MET 71 HA MET 71 -7.277 0.967 -5.129 514 1HB MET 71 1HB MET 71 -5.739 0.141 -2.842 515 2HB MET 71 2HB MET 71 -5.053 -0.705 -4.214 516 1HG MET 71 1HG MET 71 -5.556 1.997 -5.064 517 2HG MET 71 2HG MET 71 -4.773 2.090 -3.499 518 1HE MET 71 1HE MET 71 -5.000 0.551 -6.785 519 2HE MET 71 2HE MET 71 -3.629 1.473 -7.449 520 3HE MET 71 3HE MET 71 -3.452 -0.266 -7.109 521 H MET 72 H MET 72 -7.515 -2.390 -3.891 522 HA MET 72 HA MET 72 -6.558 -3.567 -6.256 523 1HB MET 72 1HB MET 72 -8.371 -4.681 -4.043 524 2HB MET 72 2HB MET 72 -7.508 -5.660 -5.212 525 1HG MET 72 1HG MET 72 -5.610 -3.854 -3.981 526 2HG MET 72 2HG MET 72 -6.537 -4.620 -2.707 527 1HE MET 72 1HE MET 72 -4.317 -4.662 -5.481 528 2HE MET 72 2HE MET 72 -3.090 -5.544 -4.540 529 3HE MET 72 3HE MET 72 -3.910 -6.342 -5.904 530 H ALA 73 H ALA 73 -9.860 -2.913 -4.925 531 HA ALA 73 HA ALA 73 -11.366 -4.210 -6.801 532 1HB ALA 73 2HB ALA 73 -12.198 -3.093 -4.743 533 2HB ALA 73 3HB ALA 73 -11.913 -1.509 -5.504 534 3HB ALA 73 1HB ALA 73 -13.128 -2.617 -6.184 535 H ARG 74 H ARG 74 -9.783 -0.975 -6.989 536 HA ARG 74 HA ARG 74 -10.890 0.048 -9.165 537 1HB ARG 74 1HB ARG 74 -7.963 -0.045 -8.326 538 2HB ARG 74 2HB ARG 74 -8.463 0.881 -9.727 539 1HG ARG 74 1HG ARG 74 -10.251 1.449 -7.496 540 2HG ARG 74 2HG ARG 74 -8.589 1.669 -6.986 541 1HD ARG 74 1HD ARG 74 -9.497 2.831 -9.636 542 2HD ARG 74 2HD ARG 74 -9.892 3.669 -8.149 543 HE ARG 74 HE ARG 74 -7.063 2.893 -8.377 544 1HH1 ARG 74 2HH2 ARG 74 -9.459 5.394 -8.996 545 2HH1 ARG 74 1HH2 ARG 74 -8.292 6.672 -9.074 546 1HH2 ARG 74 2HH1 ARG 74 -5.523 4.578 -8.480 547 2HH2 ARG 74 1HH1 ARG 74 -6.038 6.204 -8.779 548 H LYS 75 H LYS 75 -7.615 -1.262 -9.806 549 HA LYS 75 HA LYS 75 -8.306 -2.033 -12.415 550 1HB LYS 75 1HB LYS 75 -6.096 -1.920 -12.592 551 2HB LYS 75 2HB LYS 75 -5.956 -1.713 -10.857 552 1HG LYS 75 1HG LYS 75 -5.840 -4.127 -10.501 553 2HG LYS 75 2HG LYS 75 -6.245 -4.450 -12.175 554 1HD LYS 75 1HD LYS 75 -3.838 -4.723 -11.913 555 2HD LYS 75 2HD LYS 75 -4.121 -3.293 -12.887 556 1HE LYS 75 1HE LYS 75 -4.095 -2.586 -10.049 557 2HE LYS 75 2HE LYS 75 -2.634 -3.459 -10.466 558 1HZ LYS 75 1HZ LYS 75 -3.574 -1.310 -12.198 559 2HZ LYS 75 2HZ LYS 75 -2.738 -0.953 -10.841 560 3HZ LYS 75 3HZ LYS 75 -2.055 -1.879 -12.000 No H/Q in entry = 560 Start of MODEL 2 1 H MET 0 H MET 0 -30.436 -20.089 -7.199 2 HA MET 0 HA MET 0 -31.596 -20.621 -4.804 3 1HB MET 0 1HB MET 0 -30.203 -22.747 -4.901 4 2HB MET 0 2HB MET 0 -30.980 -22.370 -6.426 5 1HG MET 0 1HG MET 0 -28.700 -21.061 -6.917 6 2HG MET 0 2HG MET 0 -28.059 -22.119 -5.676 7 1HE MET 0 2HE MET 0 -26.478 -22.989 -6.999 8 2HE MET 0 3HE MET 0 -26.673 -24.421 -8.038 9 3HE MET 0 1HE MET 0 -26.742 -22.791 -8.748 10 H ALA 1 H ALA 1 -28.176 -19.726 -5.507 11 HA ALA 1 HA ALA 1 -27.754 -18.508 -3.072 12 1HB ALA 1 3HB ALA 1 -27.669 -21.392 -2.899 13 2HB ALA 1 1HB ALA 1 -26.046 -20.729 -2.597 14 3HB ALA 1 2HB ALA 1 -27.426 -20.185 -1.614 15 H ASP 2 H ASP 2 -25.878 -17.304 -3.235 16 HA ASP 2 HA ASP 2 -23.574 -18.102 -4.422 17 1HB ASP 2 1HB ASP 2 -24.617 -18.251 -6.583 18 2HB ASP 2 2HB ASP 2 -25.516 -16.766 -6.341 19 H GLN 3 H GLN 3 -22.463 -16.738 -2.986 20 HA GLN 3 HA GLN 3 -22.322 -14.031 -3.507 21 1HB GLN 3 1HB GLN 3 -24.643 -14.197 -2.362 22 2HB GLN 3 2HB GLN 3 -23.769 -14.545 -0.884 23 1HG GLN 3 1HG GLN 3 -22.382 -12.338 -1.744 24 2HG GLN 3 2HG GLN 3 -23.960 -11.985 -2.420 25 1HE2 GLN 3 2HE2 GLN 3 -25.499 -11.116 0.561 26 2HE2 GLN 3 1HE2 GLN 3 -25.565 -11.298 -1.160 27 H LEU 4 H LEU 4 -20.313 -13.404 -2.797 28 HA LEU 4 HA LEU 4 -18.896 -15.252 -1.099 29 1HB LEU 4 1HB LEU 4 -16.999 -13.642 -1.580 30 2HB LEU 4 2HB LEU 4 -17.650 -14.564 -2.920 31 HG LEU 4 HG LEU 4 -18.910 -11.923 -2.571 32 1HD1 LEU 4 1HD1 LEU 4 -16.305 -11.789 -1.986 33 2HD1 LEU 4 2HD1 LEU 4 -16.189 -11.746 -3.762 34 3HD1 LEU 4 3HD1 LEU 4 -17.156 -10.523 -2.903 35 1HD2 LEU 4 1HD2 LEU 4 -19.309 -13.433 -4.489 36 2HD2 LEU 4 2HD2 LEU 4 -18.690 -11.837 -4.976 37 3HD2 LEU 4 3HD2 LEU 4 -17.604 -13.248 -4.963 38 H THR 5 H THR 5 -17.260 -13.931 0.510 39 HA THR 5 HA THR 5 -18.623 -11.800 1.892 40 HB THR 5 HB THR 5 -19.345 -13.003 3.751 41 HG1 THR 5 HG1 THR 5 -17.990 -14.660 4.560 42 1HG2 THR 5 2HG2 THR 5 -19.085 -15.258 1.692 43 2HG2 THR 5 3HG2 THR 5 -20.052 -15.344 3.184 44 3HG2 THR 5 1HG2 THR 5 -20.501 -14.200 1.896 45 H GLU 6 H GLU 6 -17.203 -11.992 4.331 46 HA GLU 6 HA GLU 6 -14.948 -10.672 3.731 47 1HB GLU 6 1HB GLU 6 -15.582 -12.455 6.114 48 2HB GLU 6 2HB GLU 6 -14.140 -11.460 6.051 49 1HG GLU 6 1HG GLU 6 -15.676 -9.453 5.580 50 2HG GLU 6 2HG GLU 6 -17.035 -10.502 5.932 51 H GLU 7 H GLU 7 -15.493 -14.177 3.673 52 HA GLU 7 HA GLU 7 -13.075 -15.233 3.945 53 1HB GLU 7 1HB GLU 7 -15.049 -15.898 1.715 54 2HB GLU 7 2HB GLU 7 -13.765 -16.955 2.267 55 1HG GLU 7 1HG GLU 7 -15.166 -16.167 4.620 56 2HG GLU 7 2HG GLU 7 -16.406 -16.510 3.431 57 H GLN 8 H GLN 8 -14.271 -13.406 1.081 58 HA GLN 8 HA GLN 8 -12.092 -13.946 -0.542 59 1HB GLN 8 1HB GLN 8 -14.475 -12.352 -0.633 60 2HB GLN 8 2HB GLN 8 -13.143 -11.305 -1.080 61 1HG GLN 8 1HG GLN 8 -13.475 -12.219 -3.163 62 2HG GLN 8 2HG GLN 8 -12.460 -13.503 -2.537 63 1HE2 GLN 8 2HE2 GLN 8 -15.246 -15.704 -1.749 64 2HE2 GLN 8 1HE2 GLN 8 -13.807 -15.060 -1.032 65 H ILE 9 H ILE 9 -12.740 -11.330 1.857 66 HA ILE 9 HA ILE 9 -10.535 -9.754 1.295 67 HB ILE 9 HB ILE 9 -12.650 -9.678 3.009 68 1HG1 ILE 9 1HG1 ILE 9 -11.175 -7.609 3.934 69 2HG1 ILE 9 2HG1 ILE 9 -10.256 -7.994 2.493 70 1HG2 ILE 9 1HG2 ILE 9 -11.548 -11.111 4.651 71 2HG2 ILE 9 2HG2 ILE 9 -10.166 -9.991 4.718 72 3HG2 ILE 9 3HG2 ILE 9 -11.768 -9.462 5.283 73 1HD1 ILE 9 2HD1 ILE 9 -13.271 -7.819 2.308 74 2HD1 ILE 9 3HD1 ILE 9 -12.300 -6.327 2.334 75 3HD1 ILE 9 1HD1 ILE 9 -12.050 -7.530 1.046 76 H ALA 10 H ALA 10 -10.895 -12.567 3.545 77 HA ALA 10 HA ALA 10 -8.495 -12.566 4.763 78 1HB ALA 10 1HB ALA 10 -10.369 -14.209 5.047 79 2HB ALA 10 2HB ALA 10 -9.846 -15.007 3.544 80 3HB ALA 10 3HB ALA 10 -8.765 -14.975 4.958 81 H GLU 11 H GLU 11 -9.211 -13.452 1.359 82 HA GLU 11 HA GLU 11 -6.628 -14.450 0.878 83 1HB GLU 11 1HB GLU 11 -8.795 -13.459 -1.024 84 2HB GLU 11 2HB GLU 11 -7.334 -14.273 -1.545 85 1HG GLU 11 1HG GLU 11 -7.952 -16.255 -0.123 86 2HG GLU 11 2HG GLU 11 -9.434 -15.443 0.342 87 H PHE 12 H PHE 12 -8.235 -11.257 0.531 88 HA PHE 12 HA PHE 12 -6.139 -10.052 -0.910 89 1HB PHE 12 1HB PHE 12 -8.511 -9.220 0.819 90 2HB PHE 12 2HB PHE 12 -7.386 -7.979 0.301 91 HD1 PHE 12 HD2 PHE 12 -6.748 -9.001 -2.444 92 HD2 PHE 12 HD1 PHE 12 -10.442 -8.675 -0.382 93 HE1 PHE 12 HE2 PHE 12 -7.956 -8.822 -4.637 94 HE2 PHE 12 HE1 PHE 12 -11.650 -8.497 -2.575 95 HZ PHE 12 HZ PHE 12 -10.393 -8.572 -4.676 96 H LYS 13 H LYS 13 -6.786 -10.592 2.561 97 HA LYS 13 HA LYS 13 -5.302 -8.758 3.809 98 1HB LYS 13 1HB LYS 13 -5.698 -11.695 4.297 99 2HB LYS 13 2HB LYS 13 -4.607 -10.794 5.330 100 1HG LYS 13 1HG LYS 13 -6.790 -9.085 5.218 101 2HG LYS 13 2HG LYS 13 -7.572 -10.651 5.129 102 1HD LYS 13 1HD LYS 13 -5.498 -10.794 7.142 103 2HD LYS 13 2HD LYS 13 -6.450 -9.353 7.441 104 1HE LYS 13 1HE LYS 13 -8.437 -10.561 7.796 105 2HE LYS 13 2HE LYS 13 -7.919 -11.915 6.813 106 1HZ LYS 13 2HZ LYS 13 -6.103 -11.943 8.743 107 2HZ LYS 13 3HZ LYS 13 -7.390 -11.378 9.575 108 3HZ LYS 13 1HZ LYS 13 -7.488 -12.808 8.791 109 H GLU 14 H GLU 14 -3.899 -11.854 2.508 110 HA GLU 14 HA GLU 14 -1.310 -11.287 3.036 111 1HB GLU 14 1HB GLU 14 -2.472 -12.755 0.629 112 2HB GLU 14 2HB GLU 14 -0.786 -12.827 1.100 113 1HG GLU 14 1HG GLU 14 -1.895 -13.465 3.493 114 2HG GLU 14 2HG GLU 14 -3.192 -14.020 2.454 115 H ALA 15 H ALA 15 -3.303 -10.236 0.224 116 HA ALA 15 HA ALA 15 -1.321 -9.175 -1.355 117 1HB ALA 15 1HB ALA 15 -3.891 -9.454 -1.701 118 2HB ALA 15 2HB ALA 15 -4.005 -7.833 -0.976 119 3HB ALA 15 3HB ALA 15 -3.073 -8.074 -2.473 120 H PHE 16 H PHE 16 -3.273 -7.491 1.212 121 HA PHE 16 HA PHE 16 -2.029 -5.058 1.052 122 1HB PHE 16 1HB PHE 16 -4.066 -5.775 2.419 123 2HB PHE 16 2HB PHE 16 -3.000 -6.634 3.513 124 HD1 PHE 16 HD2 PHE 16 -3.374 -3.201 2.081 125 HD2 PHE 16 HD1 PHE 16 -2.417 -5.571 5.468 126 HE1 PHE 16 HE2 PHE 16 -3.114 -1.121 3.462 127 HE2 PHE 16 HE1 PHE 16 -2.157 -3.491 6.850 128 HZ PHE 16 HZ PHE 16 -2.508 -1.291 5.830 129 H SER 17 H SER 17 -0.954 -8.070 2.666 130 HA SER 17 HA SER 17 0.983 -6.968 4.270 131 1HB SER 17 1HB SER 17 0.053 -9.452 3.945 132 2HB SER 17 2HB SER 17 1.455 -9.620 2.907 133 HG SER 17 HG SER 17 1.352 -9.074 5.726 134 H LEU 18 H LEU 18 1.227 -8.292 0.892 135 HA LEU 18 HA LEU 18 3.819 -8.093 0.357 136 1HB LEU 18 1HB LEU 18 1.366 -7.928 -1.133 137 2HB LEU 18 2HB LEU 18 2.554 -6.850 -1.839 138 HG LEU 18 HG LEU 18 4.049 -9.117 -1.471 139 1HD1 LEU 18 2HD1 LEU 18 1.859 -10.244 -0.755 140 2HD1 LEU 18 3HD1 LEU 18 1.403 -10.158 -2.474 141 3HD1 LEU 18 1HD1 LEU 18 2.855 -11.063 -1.982 142 1HD2 LEU 18 2HD2 LEU 18 2.479 -8.084 -3.826 143 2HD2 LEU 18 3HD2 LEU 18 4.220 -7.942 -3.482 144 3HD2 LEU 18 1HD2 LEU 18 3.532 -9.513 -3.958 145 H PHE 19 H PHE 19 1.551 -5.260 0.140 146 HA PHE 19 HA PHE 19 3.670 -3.437 -0.263 147 1HB PHE 19 1HB PHE 19 0.724 -3.324 0.578 148 2HB PHE 19 2HB PHE 19 1.665 -1.850 0.453 149 HD1 PHE 19 HD1 PHE 19 2.862 -1.449 -1.831 150 HD2 PHE 19 HD2 PHE 19 -0.378 -4.137 -1.296 151 HE1 PHE 19 HE1 PHE 19 2.366 -1.341 -4.289 152 HE2 PHE 19 HE2 PHE 19 -0.874 -4.029 -3.754 153 HZ PHE 19 HZ PHE 19 0.504 -2.632 -5.221 154 H ASP 20 H ASP 20 1.704 -4.431 2.604 155 HA ASP 20 HA ASP 20 3.098 -2.578 4.257 156 1HB ASP 20 1HB ASP 20 0.798 -3.062 4.818 157 2HB ASP 20 2HB ASP 20 1.071 -4.792 4.760 158 H LYS 21 H LYS 21 5.343 -3.299 4.097 159 HA LYS 21 HA LYS 21 6.114 -5.971 4.401 160 1HB LYS 21 1HB LYS 21 7.447 -4.105 3.372 161 2HB LYS 21 2HB LYS 21 7.746 -3.485 4.983 162 1HG LYS 21 1HG LYS 21 9.603 -4.839 4.854 163 2HG LYS 21 2HG LYS 21 8.480 -6.067 5.403 164 1HD LYS 21 1HD LYS 21 8.295 -7.057 3.288 165 2HD LYS 21 2HD LYS 21 8.643 -5.565 2.436 166 1HE LYS 21 1HE LYS 21 11.040 -5.800 3.561 167 2HE LYS 21 2HE LYS 21 10.582 -7.479 3.765 168 1HZ LYS 21 1HZ LYS 21 9.900 -6.878 1.206 169 2HZ LYS 21 2HZ LYS 21 11.335 -6.125 1.411 170 3HZ LYS 21 3HZ LYS 21 11.210 -7.730 1.681 171 H ASP 22 H ASP 22 6.344 -3.218 6.770 172 HA ASP 22 HA ASP 22 7.181 -4.608 8.894 173 1HB ASP 22 1HB ASP 22 4.928 -2.590 9.179 174 2HB ASP 22 2HB ASP 22 6.283 -2.851 10.259 175 H GLY 23 H GLY 23 4.059 -4.750 7.265 176 1HA GLY 23 1HA GLY 23 2.210 -5.983 7.588 177 2HA GLY 23 2HA GLY 23 3.199 -7.069 8.543 178 H ASP 24 H ASP 24 3.159 -3.742 9.625 179 HA ASP 24 HA ASP 24 2.182 -4.429 12.104 180 1HB ASP 24 1HB ASP 24 1.843 -1.877 12.324 181 2HB ASP 24 2HB ASP 24 3.463 -2.432 11.952 182 H GLY 25 H GLY 25 0.625 -3.428 9.066 183 1HA GLY 25 1HA GLY 25 -1.719 -4.234 8.927 184 2HA GLY 25 2HA GLY 25 -2.002 -3.374 10.428 185 H THR 26 H THR 26 0.324 -1.634 8.675 186 HA THR 26 HA THR 26 -1.691 -0.114 7.182 187 HB THR 26 HB THR 26 -0.435 1.967 8.158 188 HG1 THR 26 HG1 THR 26 1.222 1.177 9.411 189 1HG2 THR 26 1HG2 THR 26 -2.226 0.136 9.816 190 2HG2 THR 26 2HG2 THR 26 -1.629 1.682 10.465 191 3HG2 THR 26 3HG2 THR 26 -2.660 1.664 9.014 192 H ILE 27 H ILE 27 -0.859 1.127 5.416 193 HA ILE 27 HA ILE 27 1.834 0.242 4.641 194 HB ILE 27 HB ILE 27 -0.640 0.605 2.952 195 1HG1 ILE 27 1HG1 ILE 27 1.073 -1.848 3.449 196 2HG1 ILE 27 2HG1 ILE 27 -0.446 -1.514 4.257 197 1HG2 ILE 27 1HG2 ILE 27 1.685 1.421 2.032 198 2HG2 ILE 27 2HG2 ILE 27 1.972 -0.323 1.820 199 3HG2 ILE 27 3HG2 ILE 27 0.585 0.455 1.019 200 1HD1 ILE 27 1HD1 ILE 27 -0.135 -1.699 1.226 201 2HD1 ILE 27 2HD1 ILE 27 -0.696 -3.030 2.265 202 3HD1 ILE 27 3HD1 ILE 27 -1.661 -1.541 2.128 203 H THR 28 H THR 28 3.072 1.995 5.214 204 HA THR 28 HA THR 28 2.099 4.661 4.906 205 HB THR 28 HB THR 28 3.709 3.934 6.681 206 HG1 THR 28 HG1 THR 28 3.679 6.142 5.666 207 1HG2 THR 28 1HG2 THR 28 5.022 2.333 5.120 208 2HG2 THR 28 2HG2 THR 28 5.765 3.794 4.426 209 3HG2 THR 28 3HG2 THR 28 6.008 3.403 6.145 210 H THR 29 H THR 29 4.703 5.722 3.892 211 HA THR 29 HA THR 29 3.979 5.548 1.083 212 HB THR 29 HB THR 29 5.861 7.413 1.099 213 HG1 THR 29 HG1 THR 29 6.634 7.694 3.153 214 1HG2 THR 29 2HG2 THR 29 3.219 7.693 2.620 215 2HG2 THR 29 3HG2 THR 29 4.269 9.073 2.218 216 3HG2 THR 29 1HG2 THR 29 3.521 8.115 0.917 217 H LYS 30 H LYS 30 6.971 5.152 3.098 218 HA LYS 30 HA LYS 30 8.586 4.267 1.052 219 1HB LYS 30 1HB LYS 30 9.003 4.857 3.606 220 2HB LYS 30 2HB LYS 30 8.882 3.121 3.803 221 1HG LYS 30 1HG LYS 30 10.697 2.721 2.243 222 2HG LYS 30 2HG LYS 30 10.685 4.386 1.696 223 1HD LYS 30 1HD LYS 30 11.706 5.192 3.663 224 2HD LYS 30 2HD LYS 30 11.155 3.840 4.631 225 1HE LYS 30 1HE LYS 30 13.182 2.869 4.320 226 2HE LYS 30 2HE LYS 30 12.770 2.656 2.630 227 1HZ LYS 30 2HZ LYS 30 13.589 5.304 3.179 228 2HZ LYS 30 3HZ LYS 30 14.742 4.230 3.606 229 3HZ LYS 30 1HZ LYS 30 14.171 4.250 2.076 230 H GLU 31 H GLU 31 6.268 2.458 3.132 231 HA GLU 31 HA GLU 31 7.007 -0.041 2.113 232 1HB GLU 31 1HB GLU 31 4.429 0.883 3.457 233 2HB GLU 31 2HB GLU 31 4.838 -0.795 3.156 234 1HG GLU 31 1HG GLU 31 6.851 -0.607 4.574 235 2HG GLU 31 2HG GLU 31 6.576 1.110 4.794 236 H LEU 32 H LEU 32 5.117 2.598 0.849 237 HA LEU 32 HA LEU 32 3.631 0.886 -0.957 238 1HB LEU 32 1HB LEU 32 2.765 2.982 0.251 239 2HB LEU 32 2HB LEU 32 3.681 3.894 -0.931 240 HG LEU 32 HG LEU 32 2.282 2.224 -2.571 241 1HD1 LEU 32 1HD1 LEU 32 0.573 2.703 -0.124 242 2HD1 LEU 32 2HD1 LEU 32 -0.096 2.319 -1.729 243 3HD1 LEU 32 3HD1 LEU 32 0.972 1.155 -0.908 244 1HD2 LEU 32 3HD2 LEU 32 2.357 4.977 -1.931 245 2HD2 LEU 32 1HD2 LEU 32 1.738 4.202 -3.409 246 3HD2 LEU 32 2HD2 LEU 32 0.641 4.517 -2.042 247 H GLY 33 H GLY 33 6.541 2.902 -0.831 248 1HA GLY 33 1HA GLY 33 6.847 2.806 -3.738 249 2HA GLY 33 2HA GLY 33 7.833 3.690 -2.589 250 H THR 34 H THR 34 7.182 0.532 -1.412 251 HA THR 34 HA THR 34 9.892 -0.285 -2.149 252 HB THR 34 HB THR 34 7.996 -0.691 0.125 253 HG1 THR 34 HG1 THR 34 9.902 0.109 0.907 254 1HG2 THR 34 2HG2 THR 34 9.780 -2.901 -0.989 255 2HG2 THR 34 3HG2 THR 34 9.442 -2.771 0.754 256 3HG2 THR 34 1HG2 THR 34 8.108 -3.037 -0.393 257 H VAL 35 H VAL 35 6.607 -1.817 -1.895 258 HA VAL 35 HA VAL 35 7.190 -4.109 -3.239 259 HB VAL 35 HB VAL 35 4.774 -2.441 -2.795 260 1HG1 VAL 35 1HG1 VAL 35 5.008 -4.496 -4.977 261 2HG1 VAL 35 2HG1 VAL 35 3.485 -4.339 -4.069 262 3HG1 VAL 35 3HG1 VAL 35 4.135 -2.944 -4.964 263 1HG2 VAL 35 1HG2 VAL 35 5.578 -5.308 -2.230 264 2HG2 VAL 35 2HG2 VAL 35 5.377 -3.974 -1.069 265 3HG2 VAL 35 3HG2 VAL 35 3.956 -4.659 -1.892 266 H MET 36 H MET 36 6.886 -0.815 -4.492 267 HA MET 36 HA MET 36 6.421 -1.503 -7.148 268 1HB MET 36 1HB MET 36 7.874 0.917 -5.939 269 2HB MET 36 2HB MET 36 7.242 0.851 -7.572 270 1HG MET 36 1HG MET 36 5.118 0.076 -5.769 271 2HG MET 36 2HG MET 36 5.842 1.546 -5.148 272 1HE MET 36 2HE MET 36 3.651 -0.149 -7.429 273 2HE MET 36 3HE MET 36 3.181 0.990 -8.714 274 3HE MET 36 1HE MET 36 4.703 0.077 -8.847 275 H ARG 37 H ARG 37 9.453 -0.920 -5.267 276 HA ARG 37 HA ARG 37 11.149 -1.071 -7.439 277 1HB ARG 37 1HB ARG 37 11.411 -1.358 -4.455 278 2HB ARG 37 2HB ARG 37 12.749 -1.956 -5.415 279 1HG ARG 37 1HG ARG 37 13.433 0.148 -5.994 280 2HG ARG 37 2HG ARG 37 11.801 0.685 -6.338 281 1HD ARG 37 1HD ARG 37 13.116 1.743 -4.300 282 2HD ARG 37 2HD ARG 37 11.409 1.385 -4.130 283 HE ARG 37 HE ARG 37 11.925 -0.411 -2.676 284 1HH1 ARG 37 2HH2 ARG 37 14.857 0.887 -4.127 285 2HH1 ARG 37 1HH2 ARG 37 15.917 0.034 -3.055 286 1HH2 ARG 37 2HH1 ARG 37 13.324 -1.537 -1.263 287 2HH2 ARG 37 1HH1 ARG 37 15.040 -1.354 -1.415 288 H SER 38 H SER 38 9.500 -3.536 -5.497 289 HA SER 38 HA SER 38 11.184 -5.666 -6.079 290 1HB SER 38 1HB SER 38 9.593 -6.973 -5.004 291 2HB SER 38 2HB SER 38 9.157 -5.391 -4.389 292 HG SER 38 HG SER 38 7.368 -6.789 -5.277 293 H LEU 39 H LEU 39 8.954 -3.848 -8.027 294 HA LEU 39 HA LEU 39 8.729 -6.037 -9.954 295 1HB LEU 39 1HB LEU 39 6.846 -4.319 -8.981 296 2HB LEU 39 2HB LEU 39 7.322 -3.499 -10.454 297 HG LEU 39 HG LEU 39 6.969 -6.215 -11.161 298 1HD1 LEU 39 3HD1 LEU 39 4.854 -5.222 -9.252 299 2HD1 LEU 39 1HD1 LEU 39 4.506 -6.434 -10.508 300 3HD1 LEU 39 2HD1 LEU 39 5.724 -6.775 -9.255 301 1HD2 LEU 39 2HD2 LEU 39 6.586 -4.222 -12.569 302 2HD2 LEU 39 3HD2 LEU 39 5.212 -5.353 -12.587 303 3HD2 LEU 39 1HD2 LEU 39 5.122 -3.857 -11.626 304 H GLY 40 H GLY 40 8.945 -2.444 -10.345 305 1HA GLY 40 1HA GLY 40 11.542 -2.359 -11.367 306 2HA GLY 40 2HA GLY 40 10.458 -2.634 -12.716 307 H GLN 41 H GLN 41 9.639 -0.824 -9.713 308 HA GLN 41 HA GLN 41 9.701 1.612 -11.304 309 1HB GLN 41 1HB GLN 41 7.397 0.481 -9.702 310 2HB GLN 41 2HB GLN 41 7.554 2.217 -9.882 311 1HG GLN 41 1HG GLN 41 7.669 1.898 -12.395 312 2HG GLN 41 2HG GLN 41 7.380 0.186 -12.158 313 1HE2 GLN 41 2HE2 GLN 41 3.994 0.542 -11.019 314 2HE2 GLN 41 1HE2 GLN 41 5.457 -0.345 -10.745 315 H ASN 42 H ASN 42 9.422 3.621 -9.740 316 HA ASN 42 HA ASN 42 10.185 3.192 -7.064 317 1HB ASN 42 1HB ASN 42 12.361 4.749 -7.605 318 2HB ASN 42 2HB ASN 42 12.449 3.000 -7.528 319 1HD2 ASN 42 2HD2 ASN 42 14.052 3.288 -10.643 320 2HD2 ASN 42 1HD2 ASN 42 14.233 3.087 -8.932 321 HA PRO 43 HA PRO 43 8.238 7.163 -8.248 322 1HB PRO 43 1HB PRO 43 6.002 6.968 -6.689 323 2HB PRO 43 2HB PRO 43 6.044 6.474 -8.370 324 1HG PRO 43 1HG PRO 43 6.044 4.787 -5.942 325 2HG PRO 43 2HG PRO 43 5.662 4.337 -7.592 326 1HD PRO 43 1HD PRO 43 8.092 3.771 -6.178 327 2HD PRO 43 2HD PRO 43 7.754 3.423 -7.862 328 H THR 44 H THR 44 8.315 9.179 -7.263 329 HA THR 44 HA THR 44 9.905 9.158 -4.898 330 HB THR 44 HB THR 44 9.973 11.538 -5.284 331 HG1 THR 44 HG1 THR 44 7.552 10.935 -6.835 332 1HG2 THR 44 2HG2 THR 44 10.406 9.812 -7.454 333 2HG2 THR 44 3HG2 THR 44 9.270 11.016 -8.111 334 3HG2 THR 44 1HG2 THR 44 10.823 11.542 -7.417 335 H GLU 45 H GLU 45 9.330 10.448 -2.919 336 HA GLU 45 HA GLU 45 7.158 9.276 -1.722 337 1HB GLU 45 1HB GLU 45 8.712 11.794 -0.994 338 2HB GLU 45 2HB GLU 45 7.524 11.063 0.067 339 1HG GLU 45 1HG GLU 45 8.977 9.442 0.727 340 2HG GLU 45 2HG GLU 45 9.382 9.033 -0.928 341 H ALA 46 H ALA 46 7.380 12.105 -3.789 342 HA ALA 46 HA ALA 46 5.046 13.413 -2.878 343 1HB ALA 46 2HB ALA 46 7.133 14.059 -4.494 344 2HB ALA 46 3HB ALA 46 5.896 13.691 -5.719 345 3HB ALA 46 1HB ALA 46 5.586 14.940 -4.489 346 H GLU 47 H GLU 47 5.756 11.015 -5.491 347 HA GLU 47 HA GLU 47 3.203 11.022 -6.553 348 1HB GLU 47 1HB GLU 47 5.128 10.062 -7.732 349 2HB GLU 47 2HB GLU 47 5.330 8.838 -6.494 350 1HG GLU 47 1HG GLU 47 4.152 7.725 -8.243 351 2HG GLU 47 2HG GLU 47 2.925 8.070 -7.041 352 H LEU 48 H LEU 48 4.727 8.556 -4.343 353 HA LEU 48 HA LEU 48 2.595 6.994 -3.859 354 1HB LEU 48 1HB LEU 48 4.607 7.946 -1.815 355 2HB LEU 48 2HB LEU 48 3.595 6.522 -1.673 356 HG LEU 48 HG LEU 48 5.391 6.747 -4.058 357 1HD1 LEU 48 1HD1 LEU 48 6.330 6.130 -1.249 358 2HD1 LEU 48 2HD1 LEU 48 7.222 5.663 -2.717 359 3HD1 LEU 48 3HD1 LEU 48 6.933 7.383 -2.360 360 1HD2 LEU 48 2HD2 LEU 48 3.650 4.875 -3.458 361 2HD2 LEU 48 3HD2 LEU 48 5.232 4.459 -4.159 362 3HD2 LEU 48 1HD2 LEU 48 4.960 4.285 -2.408 363 H GLN 49 H GLN 49 3.410 9.969 -1.931 364 HA GLN 49 HA GLN 49 1.338 9.997 -0.266 365 1HB GLN 49 1HB GLN 49 3.273 11.821 -1.076 366 2HB GLN 49 2HB GLN 49 1.789 12.656 -1.491 367 1HG GLN 49 1HG GLN 49 2.112 13.310 0.748 368 2HG GLN 49 2HG GLN 49 0.980 11.983 0.914 369 1HE2 GLN 49 2HE2 GLN 49 3.043 10.529 3.286 370 2HE2 GLN 49 1HE2 GLN 49 1.500 11.175 2.834 371 H ASP 50 H ASP 50 1.294 10.991 -3.730 372 HA ASP 50 HA ASP 50 -1.308 11.977 -3.670 373 1HB ASP 50 1HB ASP 50 0.787 11.481 -5.613 374 2HB ASP 50 2HB ASP 50 -0.723 10.873 -6.262 375 H MET 51 H MET 51 0.188 8.760 -4.303 376 HA MET 51 HA MET 51 -2.169 7.557 -5.232 377 1HB MET 51 1HB MET 51 0.290 6.290 -3.901 378 2HB MET 51 2HB MET 51 -0.857 5.450 -4.926 379 1HG MET 51 1HG MET 51 -0.166 6.670 -6.888 380 2HG MET 51 2HG MET 51 0.679 7.877 -5.940 381 1HE MET 51 1HE MET 51 0.550 4.936 -7.800 382 2HE MET 51 2HE MET 51 2.218 4.323 -7.890 383 3HE MET 51 3HE MET 51 1.102 3.686 -6.659 384 H ILE 52 H ILE 52 -0.502 7.639 -2.017 385 HA ILE 52 HA ILE 52 -2.140 5.887 -0.677 386 HB ILE 52 HB ILE 52 -0.589 8.313 0.192 387 1HG1 ILE 52 1HG1 ILE 52 -0.126 5.338 0.177 388 2HG1 ILE 52 2HG1 ILE 52 0.879 6.616 -0.478 389 1HG2 ILE 52 1HG2 ILE 52 -2.692 7.048 1.655 390 2HG2 ILE 52 2HG2 ILE 52 -1.139 6.647 2.426 391 3HG2 ILE 52 3HG2 ILE 52 -1.590 8.349 2.168 392 1HD1 ILE 52 1HD1 ILE 52 0.916 7.410 2.098 393 2HD1 ILE 52 2HD1 ILE 52 0.601 5.678 2.362 394 3HD1 ILE 52 3HD1 ILE 52 2.055 6.193 1.474 395 H ASN 53 H ASN 53 -2.511 9.477 -1.061 396 HA ASN 53 HA ASN 53 -4.706 9.865 0.398 397 1HB ASN 53 1HB ASN 53 -3.629 11.053 -2.134 398 2HB ASN 53 2HB ASN 53 -5.312 11.417 -1.809 399 1HD2 ASN 53 2HD2 ASN 53 -2.744 13.803 -0.207 400 2HD2 ASN 53 1HD2 ASN 53 -2.768 13.006 -1.745 401 H GLU 54 H GLU 54 -4.604 8.895 -3.118 402 HA GLU 54 HA GLU 54 -7.226 8.738 -3.637 403 1HB GLU 54 1HB GLU 54 -4.916 6.990 -4.545 404 2HB GLU 54 2HB GLU 54 -6.532 6.745 -5.177 405 1HG GLU 54 1HG GLU 54 -6.466 9.361 -5.623 406 2HG GLU 54 2HG GLU 54 -4.730 9.162 -5.484 407 H VAL 55 H VAL 55 -5.230 6.407 -1.782 408 HA VAL 55 HA VAL 55 -7.672 4.852 -1.285 409 HB VAL 55 HB VAL 55 -5.682 3.264 -0.412 410 1HG1 VAL 55 2HG1 VAL 55 -7.509 3.302 -2.526 411 2HG1 VAL 55 3HG1 VAL 55 -5.942 2.957 -3.296 412 3HG1 VAL 55 1HG1 VAL 55 -6.535 1.916 -1.979 413 1HG2 VAL 55 3HG2 VAL 55 -4.003 5.020 -1.179 414 2HG2 VAL 55 1HG2 VAL 55 -3.738 3.361 -1.768 415 3HG2 VAL 55 2HG2 VAL 55 -4.455 4.584 -2.845 416 H ASP 56 H ASP 56 -7.118 7.410 -0.014 417 HA ASP 56 HA ASP 56 -7.264 6.475 2.670 418 1HB ASP 56 1HB ASP 56 -4.894 6.708 2.694 419 2HB ASP 56 2HB ASP 56 -4.929 8.118 1.653 420 H ALA 57 H ALA 57 -9.371 7.469 2.652 421 HA ALA 57 HA ALA 57 -9.551 10.252 1.846 422 1HB ALA 57 1HB ALA 57 -11.234 8.493 1.175 423 2HB ALA 57 2HB ALA 57 -11.705 8.372 2.887 424 3HB ALA 57 3HB ALA 57 -11.937 9.901 2.006 425 H ASP 58 H ASP 58 -8.663 8.495 4.595 426 HA ASP 58 HA ASP 58 -10.019 10.131 6.485 427 1HB ASP 58 1HB ASP 58 -9.321 8.544 7.964 428 2HB ASP 58 2HB ASP 58 -8.790 7.649 6.554 429 H GLY 59 H GLY 59 -6.855 9.936 4.824 430 1HA GLY 59 1HA GLY 59 -5.237 11.497 4.580 431 2HA GLY 59 2HA GLY 59 -6.203 12.635 5.497 432 H ASN 60 H ASN 60 -5.257 9.370 6.659 433 HA ASN 60 HA ASN 60 -4.226 10.518 9.018 434 1HB ASN 60 1HB ASN 60 -3.685 8.144 9.615 435 2HB ASN 60 2HB ASN 60 -5.329 8.298 9.026 436 1HD2 ASN 60 2HD2 ASN 60 -3.928 5.332 7.389 437 2HD2 ASN 60 1HD2 ASN 60 -4.362 5.872 8.977 438 H GLY 61 H GLY 61 -2.992 9.626 5.857 439 1HA GLY 61 1HA GLY 61 -0.874 10.454 5.168 440 2HA GLY 61 2HA GLY 61 -0.240 10.160 6.774 441 H THR 62 H THR 62 -1.777 7.488 6.894 442 HA THR 62 HA THR 62 0.081 5.992 5.163 443 HB THR 62 HB THR 62 0.378 5.961 7.745 444 HG1 THR 62 HG1 THR 62 1.286 4.080 7.020 445 1HG2 THR 62 3HG2 THR 62 -2.211 4.372 7.394 446 2HG2 THR 62 1HG2 THR 62 -1.108 4.117 8.767 447 3HG2 THR 62 2HG2 THR 62 -1.902 5.694 8.545 448 H ILE 63 H ILE 63 -0.893 3.518 5.130 449 HA ILE 63 HA ILE 63 -3.663 3.861 4.213 450 HB ILE 63 HB ILE 63 -1.399 2.346 2.917 451 1HG1 ILE 63 1HG1 ILE 63 -2.140 4.979 2.629 452 2HG1 ILE 63 2HG1 ILE 63 -1.241 4.032 1.460 453 1HG2 ILE 63 1HG2 ILE 63 -4.374 2.149 2.524 454 2HG2 ILE 63 2HG2 ILE 63 -3.253 1.858 1.173 455 3HG2 ILE 63 3HG2 ILE 63 -3.156 0.856 2.641 456 1HD1 ILE 63 1HD1 ILE 63 -4.260 3.868 1.454 457 2HD1 ILE 63 2HD1 ILE 63 -3.458 5.280 0.727 458 3HD1 ILE 63 3HD1 ILE 63 -3.119 3.647 0.106 459 H ASP 64 H ASP 64 -5.112 2.177 4.691 460 HA ASP 64 HA ASP 64 -4.010 0.275 6.602 461 1HB ASP 64 1HB ASP 64 -6.898 1.210 6.262 462 2HB ASP 64 2HB ASP 64 -6.315 0.137 7.519 463 H PHE 65 H PHE 65 -6.170 -1.567 6.656 464 HA PHE 65 HA PHE 65 -5.750 -2.932 4.186 465 1HB PHE 65 1HB PHE 65 -5.931 -3.953 6.522 466 2HB PHE 65 2HB PHE 65 -7.600 -3.426 6.597 467 HD1 PHE 65 HD2 PHE 65 -5.861 -4.935 3.683 468 HD2 PHE 65 HD1 PHE 65 -8.744 -5.463 6.752 469 HE1 PHE 65 HE2 PHE 65 -6.591 -7.092 2.627 470 HE2 PHE 65 HE1 PHE 65 -9.474 -7.620 5.696 471 HZ PHE 65 HZ PHE 65 -8.388 -8.409 3.646 472 HA PRO 66 HA PRO 66 -10.364 -1.886 3.798 473 1HB PRO 66 1HB PRO 66 -11.429 0.083 5.366 474 2HB PRO 66 2HB PRO 66 -11.552 -1.621 5.753 475 1HG PRO 66 1HG PRO 66 -9.815 0.435 6.975 476 2HG PRO 66 2HG PRO 66 -10.265 -1.137 7.604 477 1HD PRO 66 1HD PRO 66 -7.755 -0.418 6.416 478 2HD PRO 66 2HD PRO 66 -8.247 -2.016 6.940 479 H GLU 67 H GLU 67 -7.846 0.305 4.066 480 HA GLU 67 HA GLU 67 -9.216 2.179 2.337 481 1HB GLU 67 1HB GLU 67 -6.383 2.486 3.378 482 2HB GLU 67 2HB GLU 67 -7.499 3.742 2.879 483 1HG GLU 67 1HG GLU 67 -8.419 1.988 5.130 484 2HG GLU 67 2HG GLU 67 -7.078 3.057 5.490 485 H PHE 68 H PHE 68 -6.913 -0.453 2.301 486 HA PHE 68 HA PHE 68 -5.879 0.361 -0.295 487 1HB PHE 68 1HB PHE 68 -4.121 -0.530 1.002 488 2HB PHE 68 2HB PHE 68 -5.208 -1.504 1.971 489 HD1 PHE 68 HD2 PHE 68 -6.139 -3.641 0.946 490 HD2 PHE 68 HD1 PHE 68 -2.908 -1.489 -0.768 491 HE1 PHE 68 HE2 PHE 68 -5.466 -5.683 -0.350 492 HE2 PHE 68 HE1 PHE 68 -2.235 -3.530 -2.063 493 HZ PHE 68 HZ PHE 68 -3.523 -5.603 -1.839 494 H LEU 69 H LEU 69 -8.085 -1.950 1.266 495 HA LEU 69 HA LEU 69 -8.242 -3.927 -0.596 496 1HB LEU 69 1HB LEU 69 -10.215 -2.660 1.260 497 2HB LEU 69 2HB LEU 69 -10.771 -3.863 0.113 498 HG LEU 69 HG LEU 69 -8.436 -4.455 1.921 499 1HD1 LEU 69 2HD1 LEU 69 -11.334 -4.317 2.666 500 2HD1 LEU 69 3HD1 LEU 69 -10.312 -5.596 3.364 501 3HD1 LEU 69 1HD1 LEU 69 -9.886 -3.885 3.607 502 1HD2 LEU 69 2HD2 LEU 69 -9.009 -5.939 -0.019 503 2HD2 LEU 69 3HD2 LEU 69 -9.025 -6.739 1.571 504 3HD2 LEU 69 1HD2 LEU 69 -10.558 -6.291 0.785 505 H THR 70 H THR 70 -9.268 -0.553 -0.852 506 HA THR 70 HA THR 70 -10.982 -0.952 -3.091 507 HB THR 70 HB THR 70 -11.367 1.007 -1.784 508 HG1 THR 70 HG1 THR 70 -10.853 2.628 -3.396 509 1HG2 THR 70 2HG2 THR 70 -8.357 1.162 -1.757 510 2HG2 THR 70 3HG2 THR 70 -9.249 2.702 -1.771 511 3HG2 THR 70 1HG2 THR 70 -9.516 1.531 -0.457 512 H MET 71 H MET 71 -7.490 -0.327 -2.651 513 HA MET 71 HA MET 71 -6.937 0.415 -5.236 514 1HB MET 71 1HB MET 71 -5.530 -0.317 -2.835 515 2HB MET 71 2HB MET 71 -4.836 -1.290 -4.116 516 1HG MET 71 1HG MET 71 -5.207 1.416 -5.103 517 2HG MET 71 2HG MET 71 -4.367 1.489 -3.567 518 1HE MET 71 1HE MET 71 -2.380 1.561 -3.317 519 2HE MET 71 2HE MET 71 -1.473 0.039 -3.483 520 3HE MET 71 3HE MET 71 -1.102 1.416 -4.547 521 H MET 72 H MET 72 -6.948 -2.886 -3.729 522 HA MET 72 HA MET 72 -6.121 -4.228 -5.990 523 1HB MET 72 1HB MET 72 -7.933 -5.068 -3.662 524 2HB MET 72 2HB MET 72 -7.279 -6.210 -4.818 525 1HG MET 72 1HG MET 72 -5.158 -4.475 -3.772 526 2HG MET 72 2HG MET 72 -6.016 -5.260 -2.461 527 1HE MET 72 1HE MET 72 -3.248 -5.251 -4.384 528 2HE MET 72 2HE MET 72 -2.710 -6.916 -4.714 529 3HE MET 72 3HE MET 72 -3.818 -6.098 -5.843 530 H ALA 73 H ALA 73 -9.409 -3.275 -4.864 531 HA ALA 73 HA ALA 73 -10.838 -4.726 -6.780 532 1HB ALA 73 2HB ALA 73 -11.484 -2.142 -5.302 533 2HB ALA 73 3HB ALA 73 -12.665 -3.135 -6.191 534 3HB ALA 73 1HB ALA 73 -11.848 -3.796 -4.755 535 H ARG 74 H ARG 74 -9.493 -1.368 -6.760 536 HA ARG 74 HA ARG 74 -10.166 -1.265 -9.586 537 1HB ARG 74 1HB ARG 74 -9.678 0.922 -7.515 538 2HB ARG 74 2HB ARG 74 -9.701 1.274 -9.232 539 1HG ARG 74 1HG ARG 74 -11.953 1.513 -9.006 540 2HG ARG 74 2HG ARG 74 -12.018 -0.237 -8.928 541 1HD ARG 74 1HD ARG 74 -13.202 0.578 -6.985 542 2HD ARG 74 2HD ARG 74 -11.679 -0.064 -6.402 543 HE ARG 74 HE ARG 74 -10.949 2.126 -5.883 544 1HH1 ARG 74 2HH2 ARG 74 -13.958 2.232 -7.704 545 2HH1 ARG 74 1HH2 ARG 74 -14.235 3.913 -7.394 546 1HH2 ARG 74 2HH1 ARG 74 -11.314 4.344 -5.474 547 2HH2 ARG 74 1HH1 ARG 74 -12.721 5.123 -6.117 548 H LYS 75 H LYS 75 -8.071 -2.819 -9.440 549 HA LYS 75 HA LYS 75 -5.586 -2.011 -8.839 550 1HB LYS 75 1HB LYS 75 -6.776 -4.027 -10.424 551 2HB LYS 75 2HB LYS 75 -5.533 -3.302 -11.423 552 1HG LYS 75 1HG LYS 75 -4.781 -3.830 -8.569 553 2HG LYS 75 2HG LYS 75 -5.026 -5.245 -9.573 554 1HD LYS 75 1HD LYS 75 -3.309 -2.951 -10.575 555 2HD LYS 75 2HD LYS 75 -2.636 -4.130 -9.467 556 1HE LYS 75 1HE LYS 75 -4.039 -4.920 -12.060 557 2HE LYS 75 2HE LYS 75 -2.313 -4.631 -11.967 558 1HZ LYS 75 1HZ LYS 75 -3.740 -6.576 -10.290 559 2HZ LYS 75 2HZ LYS 75 -2.935 -6.956 -11.658 560 3HZ LYS 75 3HZ LYS 75 -2.122 -6.366 -10.370 No H/Q in entry = 560 Start of MODEL 3 1 H MET 0 H MET 0 -29.544 -21.347 3.645 2 HA MET 0 HA MET 0 -29.056 -19.567 2.027 3 1HB MET 0 1HB MET 0 -28.155 -19.494 4.932 4 2HB MET 0 2HB MET 0 -27.928 -18.064 3.945 5 1HG MET 0 1HG MET 0 -30.620 -19.117 3.538 6 2HG MET 0 2HG MET 0 -30.323 -18.904 5.252 7 1HE MET 0 1HE MET 0 -31.393 -17.525 2.134 8 2HE MET 0 2HE MET 0 -32.492 -17.045 3.449 9 3HE MET 0 3HE MET 0 -31.654 -15.801 2.491 10 H ALA 1 H ALA 1 -27.527 -18.548 0.734 11 HA ALA 1 HA ALA 1 -24.929 -18.074 1.208 12 1HB ALA 1 2HB ALA 1 -25.374 -20.958 0.464 13 2HB ALA 1 3HB ALA 1 -23.926 -20.119 -0.143 14 3HB ALA 1 1HB ALA 1 -24.211 -20.247 1.609 15 H ASP 2 H ASP 2 -25.122 -16.369 -0.195 16 HA ASP 2 HA ASP 2 -25.081 -17.012 -2.955 17 1HB ASP 2 1HB ASP 2 -27.611 -16.691 -1.973 18 2HB ASP 2 2HB ASP 2 -27.219 -15.013 -2.294 19 H GLN 3 H GLN 3 -23.455 -15.695 -0.799 20 HA GLN 3 HA GLN 3 -22.733 -13.399 -2.248 21 1HB GLN 3 1HB GLN 3 -23.174 -11.695 -0.516 22 2HB GLN 3 2HB GLN 3 -24.670 -12.420 -1.071 23 1HG GLN 3 1HG GLN 3 -24.182 -14.111 0.977 24 2HG GLN 3 2HG GLN 3 -23.272 -12.739 1.578 25 1HE2 GLN 3 1HE2 GLN 3 -24.308 -10.758 1.963 26 2HE2 GLN 3 2HE2 GLN 3 -26.015 -10.644 2.237 27 H LEU 4 H LEU 4 -20.534 -13.426 -2.106 28 HA LEU 4 HA LEU 4 -19.158 -15.090 -0.395 29 1HB LEU 4 1HB LEU 4 -17.180 -13.663 -1.054 30 2HB LEU 4 2HB LEU 4 -18.083 -14.436 -2.341 31 HG LEU 4 HG LEU 4 -19.006 -11.708 -1.729 32 1HD1 LEU 4 1HD1 LEU 4 -16.148 -12.211 -2.021 33 2HD1 LEU 4 2HD1 LEU 4 -16.783 -11.118 -3.275 34 3HD1 LEU 4 3HD1 LEU 4 -17.014 -10.728 -1.553 35 1HD2 LEU 4 3HD2 LEU 4 -18.549 -13.462 -4.085 36 2HD2 LEU 4 1HD2 LEU 4 -19.928 -12.414 -3.674 37 3HD2 LEU 4 2HD2 LEU 4 -18.442 -11.705 -4.349 38 H THR 5 H THR 5 -17.236 -14.012 1.058 39 HA THR 5 HA THR 5 -18.236 -11.826 2.662 40 HB THR 5 HB THR 5 -18.779 -13.055 4.571 41 HG1 THR 5 HG1 THR 5 -17.151 -15.218 3.452 42 1HG2 THR 5 2HG2 THR 5 -19.012 -15.271 2.467 43 2HG2 THR 5 3HG2 THR 5 -19.861 -15.214 4.031 44 3HG2 THR 5 1HG2 THR 5 -20.254 -14.030 2.761 45 H GLU 6 H GLU 6 -16.543 -12.197 4.884 46 HA GLU 6 HA GLU 6 -14.301 -11.006 4.085 47 1HB GLU 6 1HB GLU 6 -14.662 -12.974 6.383 48 2HB GLU 6 2HB GLU 6 -13.243 -11.963 6.204 49 1HG GLU 6 1HG GLU 6 -14.843 -9.942 6.109 50 2HG GLU 6 2HG GLU 6 -16.123 -11.038 6.588 51 H GLU 7 H GLU 7 -15.018 -14.502 3.974 52 HA GLU 7 HA GLU 7 -12.680 -15.683 3.782 53 1HB GLU 7 1HB GLU 7 -15.174 -16.021 2.100 54 2HB GLU 7 2HB GLU 7 -13.780 -17.040 1.801 55 1HG GLU 7 1HG GLU 7 -14.232 -16.939 4.659 56 2HG GLU 7 2HG GLU 7 -15.757 -17.301 3.875 57 H GLN 8 H GLN 8 -14.116 -13.556 1.260 58 HA GLN 8 HA GLN 8 -12.086 -14.085 -0.612 59 1HB GLN 8 1HB GLN 8 -14.546 -12.619 -0.505 60 2HB GLN 8 2HB GLN 8 -13.310 -11.496 -1.035 61 1HG GLN 8 1HG GLN 8 -13.703 -12.401 -3.103 62 2HG GLN 8 2HG GLN 8 -12.636 -13.677 -2.553 63 1HE2 GLN 8 2HE2 GLN 8 -15.626 -15.638 -1.380 64 2HE2 GLN 8 1HE2 GLN 8 -14.309 -14.826 -0.600 65 H ILE 9 H ILE 9 -12.732 -11.394 1.729 66 HA ILE 9 HA ILE 9 -10.610 -9.780 1.038 67 HB ILE 9 HB ILE 9 -12.636 -9.701 2.830 68 1HG1 ILE 9 1HG1 ILE 9 -11.146 -7.613 3.696 69 2HG1 ILE 9 2HG1 ILE 9 -10.276 -8.001 2.225 70 1HG2 ILE 9 2HG2 ILE 9 -11.372 -11.138 4.415 71 2HG2 ILE 9 3HG2 ILE 9 -10.122 -9.874 4.512 72 3HG2 ILE 9 1HG2 ILE 9 -11.777 -9.534 5.073 73 1HD1 ILE 9 1HD1 ILE 9 -13.298 -7.845 2.154 74 2HD1 ILE 9 2HD1 ILE 9 -12.332 -6.350 2.124 75 3HD1 ILE 9 3HD1 ILE 9 -12.128 -7.567 0.841 76 H ALA 10 H ALA 10 -10.742 -12.594 3.298 77 HA ALA 10 HA ALA 10 -8.323 -12.485 4.458 78 1HB ALA 10 2HB ALA 10 -10.288 -14.491 3.799 79 2HB ALA 10 3HB ALA 10 -8.659 -15.175 3.585 80 3HB ALA 10 1HB ALA 10 -9.127 -14.464 5.148 81 H GLU 11 H GLU 11 -9.049 -13.400 1.056 82 HA GLU 11 HA GLU 11 -6.455 -14.243 0.479 83 1HB GLU 11 1HB GLU 11 -8.616 -13.151 -1.377 84 2HB GLU 11 2HB GLU 11 -7.181 -14.006 -1.906 85 1HG GLU 11 1HG GLU 11 -7.877 -16.015 -0.609 86 2HG GLU 11 2HG GLU 11 -9.291 -15.162 -0.022 87 H PHE 12 H PHE 12 -8.156 -11.074 0.158 88 HA PHE 12 HA PHE 12 -6.116 -9.747 -1.190 89 1HB PHE 12 1HB PHE 12 -8.364 -8.997 0.751 90 2HB PHE 12 2HB PHE 12 -7.328 -7.748 0.090 91 HD1 PHE 12 HD1 PHE 12 -9.853 -10.290 -0.745 92 HD2 PHE 12 HD2 PHE 12 -7.553 -7.028 -2.184 93 HE1 PHE 12 HE1 PHE 12 -11.300 -10.173 -2.793 94 HE2 PHE 12 HE2 PHE 12 -9.000 -6.911 -4.232 95 HZ PHE 12 HZ PHE 12 -10.856 -8.485 -4.512 96 H LYS 13 H LYS 13 -6.631 -10.471 2.276 97 HA LYS 13 HA LYS 13 -5.091 -8.692 3.545 98 1HB LYS 13 1HB LYS 13 -5.226 -11.690 3.970 99 2HB LYS 13 2HB LYS 13 -4.482 -10.580 5.104 100 1HG LYS 13 1HG LYS 13 -6.751 -9.271 5.005 101 2HG LYS 13 2HG LYS 13 -7.401 -10.720 4.264 102 1HD LYS 13 1HD LYS 13 -6.729 -12.074 6.220 103 2HD LYS 13 2HD LYS 13 -5.943 -10.687 6.948 104 1HE LYS 13 1HE LYS 13 -8.917 -10.739 6.258 105 2HE LYS 13 2HE LYS 13 -8.293 -11.207 7.827 106 1HZ LYS 13 1HZ LYS 13 -7.262 -8.713 6.951 107 2HZ LYS 13 2HZ LYS 13 -8.892 -8.699 7.063 108 3HZ LYS 13 3HZ LYS 13 -7.987 -9.098 8.363 109 H GLU 14 H GLU 14 -3.741 -11.773 2.155 110 HA GLU 14 HA GLU 14 -1.143 -11.247 2.590 111 1HB GLU 14 1HB GLU 14 -2.455 -12.630 0.215 112 2HB GLU 14 2HB GLU 14 -0.727 -12.670 0.501 113 1HG GLU 14 1HG GLU 14 -1.602 -13.408 2.982 114 2HG GLU 14 2HG GLU 14 -2.937 -14.011 2.020 115 H ALA 15 H ALA 15 -3.242 -9.965 -0.023 116 HA ALA 15 HA ALA 15 -1.257 -8.872 -1.627 117 1HB ALA 15 2HB ALA 15 -3.900 -9.142 -1.842 118 2HB ALA 15 3HB ALA 15 -3.883 -7.466 -1.242 119 3HB ALA 15 1HB ALA 15 -3.024 -7.882 -2.744 120 H PHE 16 H PHE 16 -3.201 -7.335 1.035 121 HA PHE 16 HA PHE 16 -1.941 -4.886 0.959 122 1HB PHE 16 1HB PHE 16 -4.030 -5.625 2.239 123 2HB PHE 16 2HB PHE 16 -3.004 -6.521 3.342 124 HD1 PHE 16 HD1 PHE 16 -3.330 -3.050 1.994 125 HD2 PHE 16 HD2 PHE 16 -2.453 -5.512 5.337 126 HE1 PHE 16 HE1 PHE 16 -3.095 -1.009 3.436 127 HE2 PHE 16 HE2 PHE 16 -2.219 -3.471 6.779 128 HZ PHE 16 HZ PHE 16 -2.543 -1.244 5.811 129 H SER 17 H SER 17 -0.960 -7.963 2.508 130 HA SER 17 HA SER 17 0.954 -6.921 4.190 131 1HB SER 17 1HB SER 17 0.523 -9.153 4.633 132 2HB SER 17 2HB SER 17 0.390 -9.582 2.940 133 HG SER 17 HG SER 17 2.504 -9.939 4.553 134 H LEU 18 H LEU 18 1.233 -8.202 0.801 135 HA LEU 18 HA LEU 18 3.859 -8.059 0.350 136 1HB LEU 18 1HB LEU 18 1.443 -7.831 -1.221 137 2HB LEU 18 2HB LEU 18 2.719 -6.844 -1.906 138 HG LEU 18 HG LEU 18 4.068 -9.176 -1.425 139 1HD1 LEU 18 1HD1 LEU 18 1.205 -9.901 -2.082 140 2HD1 LEU 18 2HD1 LEU 18 2.590 -10.985 -2.358 141 3HD1 LEU 18 3HD1 LEU 18 2.193 -10.452 -0.707 142 1HD2 LEU 18 3HD2 LEU 18 2.557 -8.343 -3.916 143 2HD2 LEU 18 1HD2 LEU 18 4.222 -7.902 -3.464 144 3HD2 LEU 18 2HD2 LEU 18 3.825 -9.592 -3.861 145 H PHE 19 H PHE 19 1.601 -5.223 0.255 146 HA PHE 19 HA PHE 19 3.756 -3.409 -0.171 147 1HB PHE 19 1HB PHE 19 0.779 -3.309 0.529 148 2HB PHE 19 2HB PHE 19 1.714 -1.827 0.536 149 HD1 PHE 19 HD2 PHE 19 3.335 -1.768 -1.731 150 HD2 PHE 19 HD1 PHE 19 -0.489 -3.570 -1.364 151 HE1 PHE 19 HE2 PHE 19 2.990 -1.538 -4.206 152 HE2 PHE 19 HE1 PHE 19 -0.835 -3.340 -3.840 153 HZ PHE 19 HZ PHE 19 0.909 -2.327 -5.231 154 H ASP 20 H ASP 20 1.726 -4.438 2.634 155 HA ASP 20 HA ASP 20 3.070 -2.584 4.334 156 1HB ASP 20 1HB ASP 20 0.747 -3.063 4.816 157 2HB ASP 20 2HB ASP 20 1.022 -4.793 4.776 158 H LYS 21 H LYS 21 5.314 -3.325 4.218 159 HA LYS 21 HA LYS 21 6.061 -5.999 4.536 160 1HB LYS 21 1HB LYS 21 7.309 -3.582 3.948 161 2HB LYS 21 2HB LYS 21 8.023 -4.045 5.479 162 1HG LYS 21 1HG LYS 21 7.933 -6.459 4.024 163 2HG LYS 21 2HG LYS 21 8.366 -5.261 2.820 164 1HD LYS 21 1HD LYS 21 10.496 -5.564 3.601 165 2HD LYS 21 2HD LYS 21 10.001 -4.477 4.884 166 1HE LYS 21 1HE LYS 21 9.132 -7.201 5.493 167 2HE LYS 21 2HE LYS 21 10.850 -7.183 5.148 168 1HZ LYS 21 3HZ LYS 21 11.018 -5.319 6.730 169 2HZ LYS 21 1HZ LYS 21 9.449 -5.529 7.128 170 3HZ LYS 21 2HZ LYS 21 10.531 -6.715 7.423 171 H ASP 22 H ASP 22 6.230 -3.263 6.931 172 HA ASP 22 HA ASP 22 6.993 -4.684 9.068 173 1HB ASP 22 1HB ASP 22 4.762 -2.645 9.333 174 2HB ASP 22 2HB ASP 22 6.116 -2.914 10.412 175 H GLY 23 H GLY 23 3.930 -4.782 7.335 176 1HA GLY 23 1HA GLY 23 2.050 -5.983 7.595 177 2HA GLY 23 2HA GLY 23 2.991 -7.087 8.578 178 H ASP 24 H ASP 24 2.981 -3.772 9.684 179 HA ASP 24 HA ASP 24 1.915 -4.447 12.124 180 1HB ASP 24 1HB ASP 24 1.667 -1.938 12.419 181 2HB ASP 24 2HB ASP 24 3.258 -2.454 11.897 182 H GLY 25 H GLY 25 0.457 -3.383 9.049 183 1HA GLY 25 1HA GLY 25 -1.891 -4.182 8.836 184 2HA GLY 25 2HA GLY 25 -2.209 -3.327 10.333 185 H THR 26 H THR 26 0.169 -1.547 8.750 186 HA THR 26 HA THR 26 -1.778 -0.020 7.169 187 HB THR 26 HB THR 26 -0.790 2.064 8.206 188 HG1 THR 26 HG1 THR 26 1.193 1.337 9.023 189 1HG2 THR 26 3HG2 THR 26 -2.547 0.182 9.513 190 2HG2 THR 26 1HG2 THR 26 -1.436 0.834 10.742 191 3HG2 THR 26 2HG2 THR 26 -2.443 1.939 9.776 192 H ILE 27 H ILE 27 -0.937 1.098 5.377 193 HA ILE 27 HA ILE 27 1.803 0.263 4.720 194 HB ILE 27 HB ILE 27 -0.610 0.637 2.946 195 1HG1 ILE 27 1HG1 ILE 27 1.066 -1.837 3.447 196 2HG1 ILE 27 2HG1 ILE 27 -0.427 -1.485 4.294 197 1HG2 ILE 27 1HG2 ILE 27 1.785 1.412 2.130 198 2HG2 ILE 27 2HG2 ILE 27 2.006 -0.338 1.885 199 3HG2 ILE 27 3HG2 ILE 27 0.677 0.515 1.064 200 1HD1 ILE 27 1HD1 ILE 27 -1.644 -1.381 2.114 201 2HD1 ILE 27 2HD1 ILE 27 -0.127 -1.770 1.269 202 3HD1 ILE 27 3HD1 ILE 27 -0.864 -2.961 2.367 203 H THR 28 H THR 28 3.164 1.946 5.025 204 HA THR 28 HA THR 28 2.161 4.647 4.769 205 HB THR 28 HB THR 28 3.684 3.941 6.628 206 HG1 THR 28 HG1 THR 28 3.898 6.125 5.981 207 1HG2 THR 28 2HG2 THR 28 5.065 2.287 5.257 208 2HG2 THR 28 3HG2 THR 28 5.781 3.680 4.412 209 3HG2 THR 28 1HG2 THR 28 6.044 3.468 6.160 210 H THR 29 H THR 29 4.808 5.675 3.849 211 HA THR 29 HA THR 29 4.230 5.391 1.008 212 HB THR 29 HB THR 29 5.806 7.390 0.913 213 HG1 THR 29 HG1 THR 29 5.511 7.442 3.782 214 1HG2 THR 29 1HG2 THR 29 3.507 7.500 2.933 215 2HG2 THR 29 2HG2 THR 29 4.378 8.941 2.354 216 3HG2 THR 29 3HG2 THR 29 3.437 7.951 1.213 217 H LYS 30 H LYS 30 6.928 4.904 3.349 218 HA LYS 30 HA LYS 30 8.750 4.073 1.367 219 1HB LYS 30 1HB LYS 30 9.082 4.904 3.842 220 2HB LYS 30 2HB LYS 30 8.933 3.204 4.236 221 1HG LYS 30 1HG LYS 30 10.732 2.715 2.496 222 2HG LYS 30 2HG LYS 30 10.943 4.443 2.299 223 1HD LYS 30 1HD LYS 30 12.332 4.477 4.087 224 2HD LYS 30 2HD LYS 30 11.018 3.944 5.117 225 1HE LYS 30 1HE LYS 30 12.424 1.870 3.431 226 2HE LYS 30 2HE LYS 30 13.262 2.490 4.840 227 1HZ LYS 30 2HZ LYS 30 10.953 2.017 5.926 228 2HZ LYS 30 3HZ LYS 30 10.827 0.934 4.711 229 3HZ LYS 30 1HZ LYS 30 12.069 0.836 5.766 230 H GLU 31 H GLU 31 5.998 2.573 2.896 231 HA GLU 31 HA GLU 31 6.984 -0.061 2.243 232 1HB GLU 31 1HB GLU 31 4.415 0.862 3.603 233 2HB GLU 31 2HB GLU 31 4.837 -0.817 3.335 234 1HG GLU 31 1HG GLU 31 6.837 -0.609 4.737 235 2HG GLU 31 2HG GLU 31 6.624 1.126 4.869 236 H LEU 32 H LEU 32 5.294 2.514 0.769 237 HA LEU 32 HA LEU 32 3.671 0.753 -0.885 238 1HB LEU 32 1HB LEU 32 2.869 2.934 0.183 239 2HB LEU 32 2HB LEU 32 3.843 3.756 -1.020 240 HG LEU 32 HG LEU 32 2.408 2.069 -2.612 241 1HD1 LEU 32 3HD1 LEU 32 0.829 2.518 -0.113 242 2HD1 LEU 32 1HD1 LEU 32 -0.014 2.542 -1.680 243 3HD1 LEU 32 2HD1 LEU 32 0.904 1.099 -1.185 244 1HD2 LEU 32 1HD2 LEU 32 2.399 4.892 -1.920 245 2HD2 LEU 32 2HD2 LEU 32 2.205 4.098 -3.501 246 3HD2 LEU 32 3HD2 LEU 32 0.793 4.330 -2.443 247 H GLY 33 H GLY 33 6.551 2.875 -0.972 248 1HA GLY 33 1HA GLY 33 6.872 2.570 -3.831 249 2HA GLY 33 2HA GLY 33 7.933 3.403 -2.712 250 H THR 34 H THR 34 7.509 0.651 -1.038 251 HA THR 34 HA THR 34 10.014 -0.431 -1.840 252 HB THR 34 HB THR 34 7.937 -0.811 0.272 253 HG1 THR 34 HG1 THR 34 9.938 -0.716 1.435 254 1HG2 THR 34 2HG2 THR 34 9.555 -3.094 -0.882 255 2HG2 THR 34 3HG2 THR 34 9.428 -2.959 0.888 256 3HG2 THR 34 1HG2 THR 34 7.957 -3.135 -0.099 257 H VAL 35 H VAL 35 6.694 -1.907 -1.834 258 HA VAL 35 HA VAL 35 7.354 -4.153 -3.244 259 HB VAL 35 HB VAL 35 4.898 -2.526 -2.825 260 1HG1 VAL 35 1HG1 VAL 35 5.097 -4.761 -4.867 261 2HG1 VAL 35 2HG1 VAL 35 3.568 -4.156 -4.187 262 3HG1 VAL 35 3HG1 VAL 35 4.603 -3.075 -5.150 263 1HG2 VAL 35 1HG2 VAL 35 5.749 -4.212 -1.184 264 2HG2 VAL 35 2HG2 VAL 35 4.095 -4.535 -1.759 265 3HG2 VAL 35 3HG2 VAL 35 5.461 -5.478 -2.401 266 H MET 36 H MET 36 7.065 -0.810 -4.349 267 HA MET 36 HA MET 36 6.709 -1.422 -7.059 268 1HB MET 36 1HB MET 36 7.907 1.024 -5.641 269 2HB MET 36 2HB MET 36 7.475 1.001 -7.339 270 1HG MET 36 1HG MET 36 5.198 0.021 -5.870 271 2HG MET 36 2HG MET 36 5.758 1.468 -5.056 272 1HE MET 36 3HE MET 36 3.586 0.099 -7.646 273 2HE MET 36 1HE MET 36 2.918 1.273 -6.487 274 3HE MET 36 2HE MET 36 2.892 1.630 -8.231 275 H ARG 37 H ARG 37 9.604 -0.783 -4.999 276 HA ARG 37 HA ARG 37 11.403 -0.751 -7.109 277 1HB ARG 37 1HB ARG 37 11.671 -1.309 -4.126 278 2HB ARG 37 2HB ARG 37 13.070 -1.382 -5.179 279 1HG ARG 37 1HG ARG 37 13.105 0.906 -5.537 280 2HG ARG 37 2HG ARG 37 11.360 1.054 -5.485 281 1HD ARG 37 1HD ARG 37 12.015 0.259 -2.868 282 2HD ARG 37 2HD ARG 37 13.325 1.340 -3.299 283 HE ARG 37 HE ARG 37 10.496 2.063 -2.961 284 1HH1 ARG 37 2HH2 ARG 37 13.602 3.025 -4.308 285 2HH1 ARG 37 1HH2 ARG 37 13.200 4.708 -4.366 286 1HH2 ARG 37 2HH1 ARG 37 9.965 4.284 -3.038 287 2HH2 ARG 37 1HH1 ARG 37 11.117 5.430 -3.638 288 H SER 38 H SER 38 9.637 -3.321 -5.558 289 HA SER 38 HA SER 38 11.529 -5.275 -6.591 290 1HB SER 38 1HB SER 38 10.844 -5.375 -4.147 291 2HB SER 38 2HB SER 38 9.207 -5.724 -4.666 292 HG SER 38 HG SER 38 11.573 -7.323 -5.136 293 H LEU 39 H LEU 39 9.729 -3.726 -8.321 294 HA LEU 39 HA LEU 39 8.330 -5.971 -9.505 295 1HB LEU 39 1HB LEU 39 6.751 -4.800 -7.926 296 2HB LEU 39 2HB LEU 39 6.881 -3.384 -8.949 297 HG LEU 39 HG LEU 39 6.209 -5.764 -10.496 298 1HD1 LEU 39 2HD1 LEU 39 4.414 -5.015 -8.179 299 2HD1 LEU 39 3HD1 LEU 39 3.854 -5.911 -9.612 300 3HD1 LEU 39 1HD1 LEU 39 5.113 -6.607 -8.563 301 1HD2 LEU 39 3HD2 LEU 39 5.890 -3.036 -10.699 302 2HD2 LEU 39 1HD2 LEU 39 5.121 -4.261 -11.736 303 3HD2 LEU 39 2HD2 LEU 39 4.242 -3.602 -10.336 304 H GLY 40 H GLY 40 9.231 -2.473 -9.630 305 1HA GLY 40 1HA GLY 40 10.830 -2.252 -11.650 306 2HA GLY 40 2HA GLY 40 9.391 -2.670 -12.559 307 H GLN 41 H GLN 41 9.721 -0.659 -9.560 308 HA GLN 41 HA GLN 41 9.137 1.687 -11.117 309 1HB GLN 41 1HB GLN 41 7.168 0.351 -9.322 310 2HB GLN 41 2HB GLN 41 7.326 2.080 -9.088 311 1HG GLN 41 1HG GLN 41 7.141 2.229 -11.709 312 2HG GLN 41 2HG GLN 41 6.522 0.593 -11.611 313 1HE2 GLN 41 2HE2 GLN 41 3.402 1.381 -10.229 314 2HE2 GLN 41 1HE2 GLN 41 4.580 0.160 -10.581 315 H ASN 42 H ASN 42 8.831 3.621 -9.284 316 HA ASN 42 HA ASN 42 10.111 3.316 -6.878 317 1HB ASN 42 1HB ASN 42 12.110 2.887 -8.467 318 2HB ASN 42 2HB ASN 42 11.967 4.560 -8.969 319 1HD2 ASN 42 2HD2 ASN 42 14.348 3.854 -6.003 320 2HD2 ASN 42 1HD2 ASN 42 13.995 2.927 -7.423 321 HA PRO 43 HA PRO 43 8.142 7.306 -8.089 322 1HB PRO 43 1HB PRO 43 5.887 7.145 -6.553 323 2HB PRO 43 2HB PRO 43 5.933 6.673 -8.240 324 1HG PRO 43 1HG PRO 43 5.869 4.955 -5.835 325 2HG PRO 43 2HG PRO 43 5.490 4.536 -7.494 326 1HD PRO 43 1HD PRO 43 7.893 3.891 -6.066 327 2HD PRO 43 2HD PRO 43 7.562 3.574 -7.758 328 H THR 44 H THR 44 8.558 9.249 -7.163 329 HA THR 44 HA THR 44 10.050 9.191 -4.795 330 HB THR 44 HB THR 44 9.809 11.698 -5.015 331 HG1 THR 44 HG1 THR 44 8.291 12.392 -6.632 332 1HG2 THR 44 3HG2 THR 44 10.555 9.905 -7.289 333 2HG2 THR 44 1HG2 THR 44 10.179 11.584 -7.745 334 3HG2 THR 44 2HG2 THR 44 11.469 11.249 -6.565 335 H GLU 45 H GLU 45 9.579 10.235 -2.718 336 HA GLU 45 HA GLU 45 7.421 9.103 -1.520 337 1HB GLU 45 1HB GLU 45 9.142 11.492 -0.786 338 2HB GLU 45 2HB GLU 45 7.845 10.967 0.269 339 1HG GLU 45 1HG GLU 45 8.965 9.070 0.928 340 2HG GLU 45 2HG GLU 45 9.587 8.752 -0.679 341 H ALA 46 H ALA 46 7.665 12.158 -3.313 342 HA ALA 46 HA ALA 46 5.292 13.317 -2.324 343 1HB ALA 46 3HB ALA 46 7.366 14.249 -3.715 344 2HB ALA 46 1HB ALA 46 6.312 13.861 -5.096 345 3HB ALA 46 2HB ALA 46 5.756 14.997 -3.844 346 H GLU 47 H GLU 47 6.084 11.227 -5.165 347 HA GLU 47 HA GLU 47 3.587 11.330 -6.317 348 1HB GLU 47 1HB GLU 47 5.544 10.434 -7.483 349 2HB GLU 47 2HB GLU 47 5.688 9.122 -6.331 350 1HG GLU 47 1HG GLU 47 4.252 7.866 -7.551 351 2HG GLU 47 2HG GLU 47 2.994 9.066 -7.333 352 H LEU 48 H LEU 48 4.973 8.709 -4.197 353 HA LEU 48 HA LEU 48 2.760 7.162 -3.956 354 1HB LEU 48 1HB LEU 48 4.764 7.821 -1.793 355 2HB LEU 48 2HB LEU 48 3.689 6.437 -1.808 356 HG LEU 48 HG LEU 48 5.599 6.847 -4.091 357 1HD1 LEU 48 3HD1 LEU 48 6.309 5.737 -1.365 358 2HD1 LEU 48 1HD1 LEU 48 7.263 5.449 -2.840 359 3HD1 LEU 48 2HD1 LEU 48 7.061 7.105 -2.221 360 1HD2 LEU 48 2HD2 LEU 48 4.191 4.497 -2.827 361 2HD2 LEU 48 3HD2 LEU 48 4.091 5.101 -4.499 362 3HD2 LEU 48 1HD2 LEU 48 5.571 4.292 -3.932 363 H GLN 49 H GLN 49 3.660 9.884 -1.716 364 HA GLN 49 HA GLN 49 1.547 9.844 -0.104 365 1HB GLN 49 1HB GLN 49 3.595 11.565 -0.484 366 2HB GLN 49 2HB GLN 49 2.314 12.548 -1.165 367 1HG GLN 49 1HG GLN 49 2.018 13.191 1.023 368 2HG GLN 49 2HG GLN 49 1.049 11.733 1.101 369 1HE2 GLN 49 2HE2 GLN 49 2.919 10.614 3.789 370 2HE2 GLN 49 1HE2 GLN 49 1.387 11.022 3.091 371 H ASP 50 H ASP 50 1.648 11.242 -3.431 372 HA ASP 50 HA ASP 50 -0.878 12.359 -3.352 373 1HB ASP 50 1HB ASP 50 1.208 11.845 -5.295 374 2HB ASP 50 2HB ASP 50 -0.326 11.383 -6.006 375 H MET 51 H MET 51 0.375 9.084 -4.181 376 HA MET 51 HA MET 51 -2.057 8.138 -5.216 377 1HB MET 51 1HB MET 51 0.292 6.602 -3.970 378 2HB MET 51 2HB MET 51 -0.912 5.915 -5.041 379 1HG MET 51 1HG MET 51 -0.133 7.209 -6.924 380 2HG MET 51 2HG MET 51 0.808 8.277 -5.903 381 1HE MET 51 2HE MET 51 0.140 4.665 -6.806 382 2HE MET 51 3HE MET 51 1.129 5.147 -8.205 383 3HE MET 51 1HE MET 51 1.751 3.947 -7.047 384 H ILE 52 H ILE 52 -0.363 7.609 -2.040 385 HA ILE 52 HA ILE 52 -2.160 5.984 -0.834 386 HB ILE 52 HB ILE 52 -0.422 8.198 0.214 387 1HG1 ILE 52 1HG1 ILE 52 -0.261 5.187 0.095 388 2HG1 ILE 52 2HG1 ILE 52 0.846 6.369 -0.573 389 1HG2 ILE 52 3HG2 ILE 52 -2.635 6.941 1.597 390 2HG2 ILE 52 1HG2 ILE 52 -1.084 6.565 2.386 391 3HG2 ILE 52 2HG2 ILE 52 -1.559 8.260 2.120 392 1HD1 ILE 52 1HD1 ILE 52 0.926 7.090 2.072 393 2HD1 ILE 52 2HD1 ILE 52 0.627 5.341 2.214 394 3HD1 ILE 52 3HD1 ILE 52 2.053 5.931 1.327 395 H ASN 53 H ASN 53 -2.329 9.581 -1.141 396 HA ASN 53 HA ASN 53 -4.499 10.014 0.411 397 1HB ASN 53 1HB ASN 53 -3.238 11.336 -1.944 398 2HB ASN 53 2HB ASN 53 -4.930 11.744 -1.738 399 1HD2 ASN 53 2HD2 ASN 53 -2.288 13.764 0.321 400 2HD2 ASN 53 1HD2 ASN 53 -2.130 12.998 -1.225 401 H GLU 54 H GLU 54 -4.256 8.799 -2.971 402 HA GLU 54 HA GLU 54 -6.928 9.028 -3.632 403 1HB GLU 54 1HB GLU 54 -4.925 6.942 -4.603 404 2HB GLU 54 2HB GLU 54 -6.406 7.396 -5.421 405 1HG GLU 54 1HG GLU 54 -5.351 9.863 -5.231 406 2HG GLU 54 2HG GLU 54 -3.849 8.968 -5.111 407 H VAL 55 H VAL 55 -5.116 6.572 -1.781 408 HA VAL 55 HA VAL 55 -7.623 5.071 -1.475 409 HB VAL 55 HB VAL 55 -5.671 3.422 -0.547 410 1HG1 VAL 55 1HG1 VAL 55 -7.337 3.661 -2.918 411 2HG1 VAL 55 2HG1 VAL 55 -5.806 2.829 -3.281 412 3HG1 VAL 55 3HG1 VAL 55 -6.870 2.213 -1.994 413 1HG2 VAL 55 2HG2 VAL 55 -3.944 5.111 -1.293 414 2HG2 VAL 55 3HG2 VAL 55 -3.747 3.473 -1.963 415 3HG2 VAL 55 1HG2 VAL 55 -4.439 4.769 -2.968 416 H ASP 56 H ASP 56 -7.002 7.574 -0.086 417 HA ASP 56 HA ASP 56 -7.329 6.546 2.554 418 1HB ASP 56 1HB ASP 56 -4.944 6.699 2.660 419 2HB ASP 56 2HB ASP 56 -4.908 8.177 1.721 420 H ALA 57 H ALA 57 -9.295 7.658 2.839 421 HA ALA 57 HA ALA 57 -9.421 10.441 1.964 422 1HB ALA 57 3HB ALA 57 -11.341 8.208 2.405 423 2HB ALA 57 1HB ALA 57 -11.922 9.833 2.840 424 3HB ALA 57 2HB ALA 57 -11.353 9.504 1.186 425 H ASP 58 H ASP 58 -8.619 8.586 4.694 426 HA ASP 58 HA ASP 58 -9.890 10.220 6.622 427 1HB ASP 58 1HB ASP 58 -9.164 8.616 8.070 428 2HB ASP 58 2HB ASP 58 -8.691 7.731 6.633 429 H GLY 59 H GLY 59 -6.718 9.998 4.959 430 1HA GLY 59 1HA GLY 59 -5.127 11.593 4.686 431 2HA GLY 59 2HA GLY 59 -6.051 12.696 5.686 432 H ASN 60 H ASN 60 -5.111 9.379 6.685 433 HA ASN 60 HA ASN 60 -3.953 10.438 9.034 434 1HB ASN 60 1HB ASN 60 -3.509 8.047 9.583 435 2HB ASN 60 2HB ASN 60 -5.152 8.254 9.012 436 1HD2 ASN 60 2HD2 ASN 60 -3.748 5.271 7.349 437 2HD2 ASN 60 1HD2 ASN 60 -4.099 5.802 8.960 438 H GLY 61 H GLY 61 -2.896 9.601 5.802 439 1HA GLY 61 1HA GLY 61 -0.783 10.343 5.031 440 2HA GLY 61 2HA GLY 61 -0.089 10.005 6.604 441 H THR 62 H THR 62 -1.609 7.385 6.846 442 HA THR 62 HA THR 62 0.099 5.851 5.003 443 HB THR 62 HB THR 62 0.272 4.226 6.773 444 HG1 THR 62 HG1 THR 62 -1.821 5.861 8.024 445 1HG2 THR 62 2HG2 THR 62 1.376 6.544 7.300 446 2HG2 THR 62 3HG2 THR 62 -0.009 6.795 8.389 447 3HG2 THR 62 1HG2 THR 62 1.106 5.436 8.667 448 H ILE 63 H ILE 63 -0.973 3.403 4.994 449 HA ILE 63 HA ILE 63 -3.751 3.848 4.154 450 HB ILE 63 HB ILE 63 -1.604 2.266 2.740 451 1HG1 ILE 63 1HG1 ILE 63 -2.191 4.967 2.578 452 2HG1 ILE 63 2HG1 ILE 63 -1.315 4.017 1.395 453 1HG2 ILE 63 2HG2 ILE 63 -4.592 2.373 2.336 454 2HG2 ILE 63 3HG2 ILE 63 -3.470 1.931 1.027 455 3HG2 ILE 63 1HG2 ILE 63 -3.536 0.952 2.512 456 1HD1 ILE 63 1HD1 ILE 63 -4.349 4.096 1.353 457 2HD1 ILE 63 2HD1 ILE 63 -3.388 5.385 0.589 458 3HD1 ILE 63 3HD1 ILE 63 -3.228 3.703 0.028 459 H ASP 64 H ASP 64 -5.226 2.193 4.645 460 HA ASP 64 HA ASP 64 -4.122 0.247 6.504 461 1HB ASP 64 1HB ASP 64 -7.005 1.191 6.141 462 2HB ASP 64 2HB ASP 64 -6.454 0.075 7.375 463 H PHE 65 H PHE 65 -6.339 -1.571 6.507 464 HA PHE 65 HA PHE 65 -5.860 -2.928 4.035 465 1HB PHE 65 1HB PHE 65 -6.084 -3.932 6.397 466 2HB PHE 65 2HB PHE 65 -7.775 -3.471 6.383 467 HD1 PHE 65 HD1 PHE 65 -5.667 -5.036 3.730 468 HD2 PHE 65 HD2 PHE 65 -9.003 -5.429 6.323 469 HE1 PHE 65 HE1 PHE 65 -6.253 -7.222 2.644 470 HE2 PHE 65 HE2 PHE 65 -9.590 -7.615 5.237 471 HZ PHE 65 HZ PHE 65 -8.208 -8.485 3.410 472 HA PRO 66 HA PRO 66 -10.471 -1.883 3.607 473 1HB PRO 66 1HB PRO 66 -11.549 0.081 5.172 474 2HB PRO 66 2HB PRO 66 -11.677 -1.625 5.551 475 1HG PRO 66 1HG PRO 66 -9.950 0.426 6.797 476 2HG PRO 66 2HG PRO 66 -10.407 -1.148 7.417 477 1HD PRO 66 1HD PRO 66 -7.886 -0.427 6.254 478 2HD PRO 66 2HD PRO 66 -8.384 -2.027 6.768 479 H GLU 67 H GLU 67 -7.985 0.358 3.968 480 HA GLU 67 HA GLU 67 -9.328 2.218 2.210 481 1HB GLU 67 1HB GLU 67 -6.522 2.493 3.348 482 2HB GLU 67 2HB GLU 67 -7.565 3.766 2.747 483 1HG GLU 67 1HG GLU 67 -9.024 3.637 4.635 484 2HG GLU 67 2HG GLU 67 -8.445 2.047 5.091 485 H PHE 68 H PHE 68 -6.947 -0.366 2.212 486 HA PHE 68 HA PHE 68 -5.892 0.459 -0.363 487 1HB PHE 68 1HB PHE 68 -4.184 -0.449 1.005 488 2HB PHE 68 2HB PHE 68 -5.300 -1.489 1.868 489 HD1 PHE 68 HD2 PHE 68 -6.036 -3.635 0.826 490 HD2 PHE 68 HD1 PHE 68 -2.987 -1.237 -0.896 491 HE1 PHE 68 HE2 PHE 68 -5.271 -5.592 -0.546 492 HE2 PHE 68 HE1 PHE 68 -2.222 -3.195 -2.267 493 HZ PHE 68 HZ PHE 68 -3.373 -5.349 -2.076 494 H LEU 69 H LEU 69 -7.980 -2.038 1.149 495 HA LEU 69 HA LEU 69 -8.157 -3.930 -0.733 496 1HB LEU 69 1HB LEU 69 -10.173 -2.658 1.066 497 2HB LEU 69 2HB LEU 69 -10.723 -3.824 -0.121 498 HG LEU 69 HG LEU 69 -8.454 -4.513 1.733 499 1HD1 LEU 69 3HD1 LEU 69 -11.395 -4.455 2.399 500 2HD1 LEU 69 1HD1 LEU 69 -10.268 -5.577 3.201 501 3HD1 LEU 69 2HD1 LEU 69 -10.018 -3.819 3.330 502 1HD2 LEU 69 3HD2 LEU 69 -9.150 -5.910 -0.301 503 2HD2 LEU 69 1HD2 LEU 69 -8.984 -6.744 1.263 504 3HD2 LEU 69 2HD2 LEU 69 -10.600 -6.329 0.642 505 H THR 70 H THR 70 -9.482 -0.604 -0.929 506 HA THR 70 HA THR 70 -11.016 -0.976 -3.238 507 HB THR 70 HB THR 70 -11.252 0.981 -1.776 508 HG1 THR 70 HG1 THR 70 -9.906 1.690 -4.285 509 1HG2 THR 70 2HG2 THR 70 -8.534 1.004 -1.484 510 2HG2 THR 70 3HG2 THR 70 -8.702 2.209 -2.784 511 3HG2 THR 70 1HG2 THR 70 -9.535 2.454 -1.230 512 H MET 71 H MET 71 -7.570 0.060 -2.847 513 HA MET 71 HA MET 71 -6.962 0.625 -5.376 514 1HB MET 71 1HB MET 71 -5.583 -0.103 -2.992 515 2HB MET 71 2HB MET 71 -4.935 -1.179 -4.214 516 1HG MET 71 1HG MET 71 -5.142 1.483 -5.350 517 2HG MET 71 2HG MET 71 -4.321 1.599 -3.806 518 1HE MET 71 2HE MET 71 -2.453 0.664 -3.095 519 2HE MET 71 3HE MET 71 -2.198 -1.035 -3.558 520 3HE MET 71 1HE MET 71 -1.062 0.218 -4.112 521 H MET 72 H MET 72 -6.979 -2.716 -3.949 522 HA MET 72 HA MET 72 -6.186 -4.012 -6.241 523 1HB MET 72 1HB MET 72 -8.049 -4.916 -3.974 524 2HB MET 72 2HB MET 72 -7.311 -6.015 -5.123 525 1HG MET 72 1HG MET 72 -5.270 -4.266 -3.975 526 2HG MET 72 2HG MET 72 -6.180 -5.041 -2.693 527 1HE MET 72 2HE MET 72 -3.896 -5.009 -5.354 528 2HE MET 72 3HE MET 72 -2.764 -6.046 -4.451 529 3HE MET 72 1HE MET 72 -3.562 -6.664 -5.918 530 H ALA 73 H ALA 73 -9.522 -3.293 -5.009 531 HA ALA 73 HA ALA 73 -10.959 -4.603 -6.944 532 1HB ALA 73 3HB ALA 73 -11.424 -2.817 -4.816 533 2HB ALA 73 1HB ALA 73 -12.145 -2.036 -6.244 534 3HB ALA 73 2HB ALA 73 -12.648 -3.679 -5.779 535 H ARG 74 H ARG 74 -9.499 -1.298 -7.007 536 HA ARG 74 HA ARG 74 -10.575 -0.376 -9.283 537 1HB ARG 74 1HB ARG 74 -8.538 0.420 -7.596 538 2HB ARG 74 2HB ARG 74 -7.625 0.067 -9.050 539 1HG ARG 74 1HG ARG 74 -8.754 1.708 -10.327 540 2HG ARG 74 2HG ARG 74 -10.153 1.717 -9.272 541 1HD ARG 74 1HD ARG 74 -9.058 3.736 -8.701 542 2HD ARG 74 2HD ARG 74 -8.529 2.642 -7.438 543 HE ARG 74 HE ARG 74 -6.571 2.282 -9.316 544 1HH1 ARG 74 2HH2 ARG 74 -7.990 5.193 -7.939 545 2HH1 ARG 74 1HH2 ARG 74 -6.551 6.137 -8.126 546 1HH2 ARG 74 2HH1 ARG 74 -4.671 3.527 -9.563 547 2HH2 ARG 74 1HH1 ARG 74 -4.650 5.183 -9.057 548 H LYS 75 H LYS 75 -7.978 -2.809 -8.874 549 HA LYS 75 HA LYS 75 -7.943 -3.131 -11.795 550 1HB LYS 75 1HB LYS 75 -5.737 -2.890 -11.713 551 2HB LYS 75 2HB LYS 75 -5.797 -2.656 -9.978 552 1HG LYS 75 1HG LYS 75 -5.887 -5.211 -9.738 553 2HG LYS 75 2HG LYS 75 -5.569 -5.315 -11.458 554 1HD LYS 75 1HD LYS 75 -3.541 -3.666 -10.848 555 2HD LYS 75 2HD LYS 75 -3.754 -4.345 -9.247 556 1HE LYS 75 1HE LYS 75 -3.602 -6.668 -10.287 557 2HE LYS 75 2HE LYS 75 -3.215 -5.906 -11.817 558 1HZ LYS 75 3HZ LYS 75 -1.349 -4.819 -10.655 559 2HZ LYS 75 1HZ LYS 75 -1.668 -5.719 -9.330 560 3HZ LYS 75 2HZ LYS 75 -1.216 -6.445 -10.721 No H/Q in entry = 560 Start of MODEL 4 1 H MET 0 H MET 0 -24.756 -22.672 -0.976 2 HA MET 0 HA MET 0 -26.570 -24.807 -0.969 3 1HB MET 0 1HB MET 0 -26.250 -23.172 1.507 4 2HB MET 0 2HB MET 0 -27.906 -23.247 0.939 5 1HG MET 0 1HG MET 0 -27.877 -25.703 0.976 6 2HG MET 0 2HG MET 0 -26.160 -25.724 1.328 7 1HE MET 0 2HE MET 0 -27.004 -27.405 3.191 8 2HE MET 0 3HE MET 0 -25.576 -26.473 3.701 9 3HE MET 0 1HE MET 0 -26.916 -26.743 4.841 10 H ALA 1 H ALA 1 -25.981 -21.269 -0.733 11 HA ALA 1 HA ALA 1 -28.207 -20.896 -2.620 12 1HB ALA 1 1HB ALA 1 -27.182 -19.137 -0.362 13 2HB ALA 1 2HB ALA 1 -28.298 -18.561 -1.624 14 3HB ALA 1 3HB ALA 1 -28.795 -19.872 -0.527 15 H ASP 2 H ASP 2 -26.020 -18.289 -1.721 16 HA ASP 2 HA ASP 2 -23.939 -18.678 -3.389 17 1HB ASP 2 1HB ASP 2 -25.302 -18.815 -5.347 18 2HB ASP 2 2HB ASP 2 -26.367 -17.534 -4.805 19 H GLN 3 H GLN 3 -22.697 -17.244 -2.157 20 HA GLN 3 HA GLN 3 -22.905 -14.548 -2.441 21 1HB GLN 3 1HB GLN 3 -24.980 -15.336 -0.785 22 2HB GLN 3 2HB GLN 3 -23.738 -14.928 0.382 23 1HG GLN 3 1HG GLN 3 -23.562 -12.827 -1.457 24 2HG GLN 3 2HG GLN 3 -25.283 -13.155 -1.415 25 1HE2 GLN 3 1HE2 GLN 3 -25.475 -11.062 -0.463 26 2HE2 GLN 3 2HE2 GLN 3 -25.232 -10.825 1.236 27 H LEU 4 H LEU 4 -20.875 -13.797 -1.957 28 HA LEU 4 HA LEU 4 -19.169 -15.562 -0.417 29 1HB LEU 4 1HB LEU 4 -17.398 -13.953 -1.206 30 2HB LEU 4 2HB LEU 4 -18.206 -14.914 -2.429 31 HG LEU 4 HG LEU 4 -19.464 -12.293 -1.986 32 1HD1 LEU 4 3HD1 LEU 4 -16.545 -12.473 -2.418 33 2HD1 LEU 4 1HD1 LEU 4 -17.424 -11.393 -3.527 34 3HD1 LEU 4 2HD1 LEU 4 -17.539 -11.147 -1.768 35 1HD2 LEU 4 1HD2 LEU 4 -18.885 -14.174 -4.174 36 2HD2 LEU 4 2HD2 LEU 4 -20.280 -13.100 -3.911 37 3HD2 LEU 4 3HD2 LEU 4 -18.783 -12.455 -4.627 38 H THR 5 H THR 5 -17.439 -14.202 0.981 39 HA THR 5 HA THR 5 -18.638 -11.983 2.372 40 HB THR 5 HB THR 5 -19.244 -13.080 4.331 41 HG1 THR 5 HG1 THR 5 -17.302 -15.129 3.527 42 1HG2 THR 5 3HG2 THR 5 -19.157 -15.442 2.378 43 2HG2 THR 5 1HG2 THR 5 -20.000 -15.449 3.947 44 3HG2 THR 5 2HG2 THR 5 -20.549 -14.365 2.646 45 H GLU 6 H GLU 6 -17.021 -12.111 4.695 46 HA GLU 6 HA GLU 6 -14.795 -10.875 3.845 47 1HB GLU 6 1HB GLU 6 -15.110 -12.585 6.352 48 2HB GLU 6 2HB GLU 6 -13.835 -11.408 6.108 49 1HG GLU 6 1HG GLU 6 -15.617 -9.629 5.776 50 2HG GLU 6 2HG GLU 6 -16.833 -10.826 6.174 51 H GLU 7 H GLU 7 -15.417 -14.366 4.023 52 HA GLU 7 HA GLU 7 -13.026 -15.484 4.146 53 1HB GLU 7 1HB GLU 7 -15.320 -16.110 2.252 54 2HB GLU 7 2HB GLU 7 -13.915 -17.151 2.375 55 1HG GLU 7 1HG GLU 7 -14.632 -16.692 5.058 56 2HG GLU 7 2HG GLU 7 -16.175 -16.835 4.241 57 H GLN 8 H GLN 8 -14.338 -13.658 1.345 58 HA GLN 8 HA GLN 8 -12.232 -14.340 -0.373 59 1HB GLN 8 1HB GLN 8 -14.673 -12.872 -0.507 60 2HB GLN 8 2HB GLN 8 -13.416 -11.764 -1.018 61 1HG GLN 8 1HG GLN 8 -14.381 -13.127 -2.910 62 2HG GLN 8 2HG GLN 8 -12.645 -13.298 -2.744 63 1HE2 GLN 8 2HE2 GLN 8 -15.068 -16.363 -1.324 64 2HE2 GLN 8 1HE2 GLN 8 -15.509 -14.698 -1.144 65 H ILE 9 H ILE 9 -12.885 -11.547 1.822 66 HA ILE 9 HA ILE 9 -10.744 -9.969 1.070 67 HB ILE 9 HB ILE 9 -12.803 -9.776 2.811 68 1HG1 ILE 9 1HG1 ILE 9 -11.278 -7.674 3.613 69 2HG1 ILE 9 2HG1 ILE 9 -10.417 -8.140 2.159 70 1HG2 ILE 9 2HG2 ILE 9 -11.495 -11.169 4.463 71 2HG2 ILE 9 3HG2 ILE 9 -10.361 -9.804 4.594 72 3HG2 ILE 9 1HG2 ILE 9 -12.067 -9.592 5.057 73 1HD1 ILE 9 1HD1 ILE 9 -13.422 -8.003 2.011 74 2HD1 ILE 9 2HD1 ILE 9 -12.511 -6.474 2.061 75 3HD1 ILE 9 3HD1 ILE 9 -12.209 -7.648 0.757 76 H ALA 10 H ALA 10 -10.943 -12.708 3.406 77 HA ALA 10 HA ALA 10 -8.562 -12.559 4.646 78 1HB ALA 10 3HB ALA 10 -10.543 -14.415 4.411 79 2HB ALA 10 1HB ALA 10 -9.227 -15.241 3.543 80 3HB ALA 10 2HB ALA 10 -8.993 -14.722 5.230 81 H GLU 11 H GLU 11 -9.180 -13.458 1.232 82 HA GLU 11 HA GLU 11 -6.562 -14.347 0.766 83 1HB GLU 11 1HB GLU 11 -8.676 -13.326 -1.182 84 2HB GLU 11 2HB GLU 11 -7.217 -14.179 -1.646 85 1HG GLU 11 1HG GLU 11 -7.931 -16.162 -0.324 86 2HG GLU 11 2HG GLU 11 -9.366 -15.310 0.210 87 H PHE 12 H PHE 12 -8.264 -11.194 0.402 88 HA PHE 12 HA PHE 12 -6.202 -9.883 -0.952 89 1HB PHE 12 1HB PHE 12 -8.502 -9.102 0.916 90 2HB PHE 12 2HB PHE 12 -7.462 -7.865 0.237 91 HD1 PHE 12 HD2 PHE 12 -9.805 -10.588 -0.669 92 HD2 PHE 12 HD1 PHE 12 -7.795 -7.081 -1.960 93 HE1 PHE 12 HE2 PHE 12 -11.213 -10.546 -2.746 94 HE2 PHE 12 HE1 PHE 12 -9.203 -7.039 -4.037 95 HZ PHE 12 HZ PHE 12 -10.895 -8.772 -4.406 96 H LYS 13 H LYS 13 -6.814 -10.531 2.514 97 HA LYS 13 HA LYS 13 -5.309 -8.712 3.776 98 1HB LYS 13 1HB LYS 13 -5.734 -11.650 4.242 99 2HB LYS 13 2HB LYS 13 -4.644 -10.760 5.285 100 1HG LYS 13 1HG LYS 13 -6.798 -9.033 5.198 101 2HG LYS 13 2HG LYS 13 -7.611 -10.578 5.047 102 1HD LYS 13 1HD LYS 13 -5.471 -10.311 7.158 103 2HD LYS 13 2HD LYS 13 -7.012 -9.530 7.450 104 1HE LYS 13 1HE LYS 13 -7.530 -11.609 8.324 105 2HE LYS 13 2HE LYS 13 -7.965 -11.929 6.657 106 1HZ LYS 13 3HZ LYS 13 -5.473 -12.557 6.499 107 2HZ LYS 13 1HZ LYS 13 -5.604 -12.778 8.112 108 3HZ LYS 13 2HZ LYS 13 -6.554 -13.628 7.091 109 H GLU 14 H GLU 14 -3.950 -11.825 2.470 110 HA GLU 14 HA GLU 14 -1.355 -11.305 2.986 111 1HB GLU 14 1HB GLU 14 -2.570 -12.731 0.581 112 2HB GLU 14 2HB GLU 14 -0.870 -12.811 0.998 113 1HG GLU 14 1HG GLU 14 -1.874 -13.487 3.412 114 2HG GLU 14 2HG GLU 14 -3.239 -13.992 2.436 115 H ALA 15 H ALA 15 -3.352 -10.139 0.230 116 HA ALA 15 HA ALA 15 -1.360 -9.107 -1.362 117 1HB ALA 15 2HB ALA 15 -4.000 -9.286 -1.574 118 2HB ALA 15 3HB ALA 15 -3.941 -7.612 -0.972 119 3HB ALA 15 1HB ALA 15 -3.096 -8.046 -2.477 120 H PHE 16 H PHE 16 -3.228 -7.424 1.268 121 HA PHE 16 HA PHE 16 -1.906 -5.026 1.137 122 1HB PHE 16 1HB PHE 16 -3.964 -5.765 2.507 123 2HB PHE 16 2HB PHE 16 -2.874 -6.577 3.613 124 HD1 PHE 16 HD2 PHE 16 -3.582 -3.216 2.175 125 HD2 PHE 16 HD1 PHE 16 -2.021 -5.425 5.444 126 HE1 PHE 16 HE2 PHE 16 -3.339 -1.093 3.493 127 HE2 PHE 16 HE1 PHE 16 -1.779 -3.303 6.763 128 HZ PHE 16 HZ PHE 16 -2.441 -1.163 5.772 129 H SER 17 H SER 17 -0.887 -8.119 2.592 130 HA SER 17 HA SER 17 1.069 -7.134 4.258 131 1HB SER 17 1HB SER 17 0.086 -9.622 3.610 132 2HB SER 17 2HB SER 17 1.670 -9.699 2.864 133 HG SER 17 HG SER 17 2.233 -8.668 5.193 134 H LEU 18 H LEU 18 1.267 -8.285 0.816 135 HA LEU 18 HA LEU 18 3.872 -8.114 0.292 136 1HB LEU 18 1HB LEU 18 1.411 -7.794 -1.196 137 2HB LEU 18 2HB LEU 18 2.678 -6.789 -1.870 138 HG LEU 18 HG LEU 18 4.025 -9.140 -1.551 139 1HD1 LEU 18 2HD1 LEU 18 1.465 -9.938 -1.007 140 2HD1 LEU 18 3HD1 LEU 18 1.592 -10.273 -2.751 141 3HD1 LEU 18 1HD1 LEU 18 2.765 -10.989 -1.619 142 1HD2 LEU 18 2HD2 LEU 18 2.561 -7.875 -3.832 143 2HD2 LEU 18 3HD2 LEU 18 4.307 -8.110 -3.577 144 3HD2 LEU 18 1HD2 LEU 18 3.285 -9.485 -4.059 145 H PHE 19 H PHE 19 1.632 -5.253 0.269 146 HA PHE 19 HA PHE 19 3.793 -3.444 -0.070 147 1HB PHE 19 1HB PHE 19 0.834 -3.304 0.728 148 2HB PHE 19 2HB PHE 19 1.806 -1.848 0.644 149 HD1 PHE 19 HD2 PHE 19 0.436 -4.636 -1.347 150 HD2 PHE 19 HD1 PHE 19 2.338 -0.844 -1.446 151 HE1 PHE 19 HE2 PHE 19 -0.029 -4.466 -3.808 152 HE2 PHE 19 HE1 PHE 19 1.873 -0.675 -3.907 153 HZ PHE 19 HZ PHE 19 0.695 -2.488 -5.058 154 H ASP 20 H ASP 20 1.731 -4.494 2.712 155 HA ASP 20 HA ASP 20 3.147 -2.747 4.462 156 1HB ASP 20 1HB ASP 20 0.810 -3.155 4.938 157 2HB ASP 20 2HB ASP 20 1.021 -4.892 4.843 158 H LYS 21 H LYS 21 5.363 -3.615 4.210 159 HA LYS 21 HA LYS 21 5.878 -6.368 4.694 160 1HB LYS 21 1HB LYS 21 8.275 -5.557 4.723 161 2HB LYS 21 2HB LYS 21 7.373 -5.252 3.252 162 1HG LYS 21 1HG LYS 21 7.466 -2.979 3.516 163 2HG LYS 21 2HG LYS 21 7.103 -3.066 5.229 164 1HD LYS 21 1HD LYS 21 9.829 -3.910 4.180 165 2HD LYS 21 2HD LYS 21 9.474 -2.221 4.485 166 1HE LYS 21 1HE LYS 21 8.906 -2.734 6.846 167 2HE LYS 21 2HE LYS 21 9.150 -4.445 6.557 168 1HZ LYS 21 3HZ LYS 21 11.457 -3.717 5.812 169 2HZ LYS 21 1HZ LYS 21 11.148 -2.320 6.601 170 3HZ LYS 21 2HZ LYS 21 11.141 -3.736 7.414 171 H ASP 22 H ASP 22 5.367 -3.522 6.671 172 HA ASP 22 HA ASP 22 6.844 -4.443 8.879 173 1HB ASP 22 1HB ASP 22 4.446 -2.569 8.976 174 2HB ASP 22 2HB ASP 22 5.809 -2.611 10.076 175 H GLY 23 H GLY 23 3.621 -4.988 7.520 176 1HA GLY 23 1HA GLY 23 1.948 -6.373 8.098 177 2HA GLY 23 2HA GLY 23 3.056 -7.176 9.193 178 H ASP 24 H ASP 24 2.917 -3.792 9.822 179 HA ASP 24 HA ASP 24 1.882 -4.177 12.349 180 1HB ASP 24 1HB ASP 24 1.672 -1.649 12.358 181 2HB ASP 24 2HB ASP 24 3.252 -2.243 11.885 182 H GLY 25 H GLY 25 0.426 -3.318 9.188 183 1HA GLY 25 1HA GLY 25 -1.916 -4.102 8.990 184 2HA GLY 25 2HA GLY 25 -2.240 -3.223 10.470 185 H THR 26 H THR 26 0.134 -1.470 8.841 186 HA THR 26 HA THR 26 -1.802 0.005 7.207 187 HB THR 26 HB THR 26 -1.114 2.109 8.260 188 HG1 THR 26 HG1 THR 26 1.118 1.366 8.639 189 1HG2 THR 26 2HG2 THR 26 -1.487 0.031 10.480 190 2HG2 THR 26 3HG2 THR 26 -1.768 1.783 10.621 191 3HG2 THR 26 1HG2 THR 26 -2.824 0.792 9.585 192 H ILE 27 H ILE 27 -0.975 0.970 5.364 193 HA ILE 27 HA ILE 27 1.812 0.223 4.823 194 HB ILE 27 HB ILE 27 -0.552 0.557 2.977 195 1HG1 ILE 27 1HG1 ILE 27 1.113 -1.893 3.621 196 2HG1 ILE 27 2HG1 ILE 27 -0.449 -1.540 4.331 197 1HG2 ILE 27 3HG2 ILE 27 1.763 1.384 2.150 198 2HG2 ILE 27 1HG2 ILE 27 2.173 -0.347 2.087 199 3HG2 ILE 27 2HG2 ILE 27 0.814 0.281 1.125 200 1HD1 ILE 27 3HD1 ILE 27 -0.054 -1.644 1.314 201 2HD1 ILE 27 1HD1 ILE 27 -0.443 -3.092 2.273 202 3HD1 ILE 27 2HD1 ILE 27 -1.581 -1.725 2.225 203 H THR 28 H THR 28 3.158 1.917 5.124 204 HA THR 28 HA THR 28 2.152 4.608 4.866 205 HB THR 28 HB THR 28 3.711 3.949 6.688 206 HG1 THR 28 HG1 THR 28 3.995 6.101 5.995 207 1HG2 THR 28 2HG2 THR 28 5.053 2.486 4.673 208 2HG2 THR 28 3HG2 THR 28 6.112 3.881 4.988 209 3HG2 THR 28 1HG2 THR 28 5.654 2.793 6.320 210 H THR 29 H THR 29 4.794 5.626 3.887 211 HA THR 29 HA THR 29 4.133 5.376 1.061 212 HB THR 29 HB THR 29 5.929 7.307 1.056 213 HG1 THR 29 HG1 THR 29 6.725 7.588 3.099 214 1HG2 THR 29 2HG2 THR 29 3.124 7.311 1.660 215 2HG2 THR 29 3HG2 THR 29 3.900 8.407 2.829 216 3HG2 THR 29 1HG2 THR 29 4.104 8.680 1.082 217 H LYS 30 H LYS 30 6.950 4.932 3.282 218 HA LYS 30 HA LYS 30 8.685 4.074 1.258 219 1HB LYS 30 1HB LYS 30 9.096 4.865 3.731 220 2HB LYS 30 2HB LYS 30 8.929 3.163 4.112 221 1HG LYS 30 1HG LYS 30 10.698 2.621 2.412 222 2HG LYS 30 2HG LYS 30 10.877 4.329 2.066 223 1HD LYS 30 1HD LYS 30 12.125 4.703 3.945 224 2HD LYS 30 2HD LYS 30 11.055 3.752 4.957 225 1HE LYS 30 1HE LYS 30 12.937 2.399 2.987 226 2HE LYS 30 2HE LYS 30 13.502 2.892 4.571 227 1HZ LYS 30 2HZ LYS 30 11.189 1.626 5.099 228 2HZ LYS 30 3HZ LYS 30 11.795 0.736 3.871 229 3HZ LYS 30 1HZ LYS 30 12.676 0.964 5.227 230 H GLU 31 H GLU 31 6.056 2.509 3.012 231 HA GLU 31 HA GLU 31 6.976 -0.100 2.271 232 1HB GLU 31 1HB GLU 31 4.405 0.847 3.611 233 2HB GLU 31 2HB GLU 31 4.816 -0.837 3.353 234 1HG GLU 31 1HG GLU 31 6.542 -0.813 4.937 235 2HG GLU 31 2HG GLU 31 6.864 0.896 4.725 236 H LEU 32 H LEU 32 5.140 2.479 0.875 237 HA LEU 32 HA LEU 32 3.598 0.704 -0.823 238 1HB LEU 32 1HB LEU 32 2.755 2.855 0.269 239 2HB LEU 32 2HB LEU 32 3.711 3.711 -0.924 240 HG LEU 32 HG LEU 32 2.292 1.983 -2.514 241 1HD1 LEU 32 2HD1 LEU 32 0.874 2.182 0.024 242 2HD1 LEU 32 3HD1 LEU 32 -0.106 2.747 -1.350 243 3HD1 LEU 32 1HD1 LEU 32 0.594 1.110 -1.369 244 1HD2 LEU 32 1HD2 LEU 32 2.237 4.829 -1.831 245 2HD2 LEU 32 2HD2 LEU 32 2.180 4.022 -3.416 246 3HD2 LEU 32 3HD2 LEU 32 0.689 4.222 -2.465 247 H GLY 33 H GLY 33 6.454 2.852 -0.884 248 1HA GLY 33 1HA GLY 33 6.766 2.610 -3.750 249 2HA GLY 33 2HA GLY 33 7.826 3.426 -2.617 250 H THR 34 H THR 34 7.422 0.635 -1.002 251 HA THR 34 HA THR 34 9.935 -0.410 -1.821 252 HB THR 34 HB THR 34 7.867 -0.833 0.279 253 HG1 THR 34 HG1 THR 34 9.788 -0.031 1.062 254 1HG2 THR 34 2HG2 THR 34 9.621 -3.107 -0.771 255 2HG2 THR 34 3HG2 THR 34 9.033 -3.045 0.908 256 3HG2 THR 34 1HG2 THR 34 7.873 -3.155 -0.438 257 H VAL 35 H VAL 35 6.594 -1.830 -1.946 258 HA VAL 35 HA VAL 35 7.306 -4.053 -3.410 259 HB VAL 35 HB VAL 35 4.818 -2.489 -2.922 260 1HG1 VAL 35 1HG1 VAL 35 5.063 -4.664 -5.023 261 2HG1 VAL 35 2HG1 VAL 35 3.521 -4.128 -4.313 262 3HG1 VAL 35 3HG1 VAL 35 4.512 -2.987 -5.254 263 1HG2 VAL 35 3HG2 VAL 35 5.770 -4.229 -1.353 264 2HG2 VAL 35 1HG2 VAL 35 4.081 -4.492 -1.851 265 3HG2 VAL 35 2HG2 VAL 35 5.386 -5.449 -2.592 266 H MET 36 H MET 36 6.926 -0.674 -4.378 267 HA MET 36 HA MET 36 6.623 -1.243 -7.123 268 1HB MET 36 1HB MET 36 7.554 1.267 -5.619 269 2HB MET 36 2HB MET 36 7.153 1.247 -7.325 270 1HG MET 36 1HG MET 36 4.970 0.017 -5.872 271 2HG MET 36 2HG MET 36 5.364 1.533 -5.086 272 1HE MET 36 3HE MET 36 2.959 0.489 -6.371 273 2HE MET 36 1HE MET 36 2.270 1.956 -7.108 274 3HE MET 36 2HE MET 36 2.793 0.603 -8.140 275 H ARG 37 H ARG 37 9.393 -0.485 -4.951 276 HA ARG 37 HA ARG 37 11.266 -0.067 -6.905 277 1HB ARG 37 1HB ARG 37 11.297 -0.903 -4.021 278 2HB ARG 37 2HB ARG 37 12.772 -1.208 -4.917 279 1HG ARG 37 1HG ARG 37 13.335 0.990 -4.870 280 2HG ARG 37 2HG ARG 37 11.796 1.453 -5.568 281 1HD ARG 37 1HD ARG 37 11.129 0.749 -2.924 282 2HD ARG 37 2HD ARG 37 12.675 1.557 -2.754 283 HE ARG 37 HE ARG 37 10.150 2.775 -3.620 284 1HH1 ARG 37 2HH2 ARG 37 13.656 3.082 -3.607 285 2HH1 ARG 37 1HH2 ARG 37 13.634 4.798 -3.844 286 1HH2 ARG 37 2HH1 ARG 37 10.121 5.038 -3.932 287 2HH2 ARG 37 1HH1 ARG 37 11.610 5.918 -4.030 288 H SER 38 H SER 38 9.599 -2.973 -5.955 289 HA SER 38 HA SER 38 11.613 -4.561 -7.344 290 1HB SER 38 1HB SER 38 9.500 -5.494 -5.350 291 2HB SER 38 2HB SER 38 10.702 -6.516 -6.114 292 HG SER 38 HG SER 38 12.214 -5.825 -4.744 293 H LEU 39 H LEU 39 9.787 -2.992 -8.841 294 HA LEU 39 HA LEU 39 8.419 -5.084 -10.258 295 1HB LEU 39 1HB LEU 39 6.910 -4.151 -8.337 296 2HB LEU 39 2HB LEU 39 6.709 -2.778 -9.406 297 HG LEU 39 HG LEU 39 6.279 -5.360 -10.743 298 1HD1 LEU 39 1HD1 LEU 39 4.543 -4.576 -8.392 299 2HD1 LEU 39 2HD1 LEU 39 4.015 -5.677 -9.688 300 3HD1 LEU 39 3HD1 LEU 39 5.404 -6.111 -8.663 301 1HD2 LEU 39 1HD2 LEU 39 4.816 -2.726 -10.542 302 2HD2 LEU 39 2HD2 LEU 39 5.700 -3.409 -11.927 303 3HD2 LEU 39 3HD2 LEU 39 4.155 -4.129 -11.415 304 H GLY 40 H GLY 40 10.684 -3.088 -10.504 305 1HA GLY 40 1HA GLY 40 11.558 -1.962 -12.258 306 2HA GLY 40 2HA GLY 40 10.093 -2.259 -13.172 307 H GLN 41 H GLN 41 9.248 -0.959 -10.134 308 HA GLN 41 HA GLN 41 9.054 1.677 -11.363 309 1HB GLN 41 1HB GLN 41 7.324 0.289 -9.277 310 2HB GLN 41 2HB GLN 41 7.188 2.002 -9.620 311 1HG GLN 41 1HG GLN 41 7.133 0.899 -12.176 312 2HG GLN 41 2HG GLN 41 6.298 -0.323 -11.238 313 1HE2 GLN 41 2HE2 GLN 41 3.452 1.584 -10.459 314 2HE2 GLN 41 1HE2 GLN 41 4.431 0.211 -10.063 315 H ASN 42 H ASN 42 8.813 3.461 -9.451 316 HA ASN 42 HA ASN 42 10.070 3.039 -7.060 317 1HB ASN 42 1HB ASN 42 12.121 2.601 -8.449 318 2HB ASN 42 2HB ASN 42 11.951 4.177 -9.196 319 1HD2 ASN 42 2HD2 ASN 42 14.446 4.280 -6.395 320 2HD2 ASN 42 1HD2 ASN 42 14.215 3.306 -7.809 321 HA PRO 43 HA PRO 43 8.184 7.109 -8.116 322 1HB PRO 43 1HB PRO 43 5.924 6.929 -6.591 323 2HB PRO 43 2HB PRO 43 5.965 6.521 -8.294 324 1HG PRO 43 1HG PRO 43 5.865 4.714 -5.957 325 2HG PRO 43 2HG PRO 43 5.483 4.365 -7.632 326 1HD PRO 43 1HD PRO 43 7.871 3.624 -6.226 327 2HD PRO 43 2HD PRO 43 7.538 3.378 -7.929 328 H THR 44 H THR 44 8.563 9.025 -7.098 329 HA THR 44 HA THR 44 10.046 8.824 -4.707 330 HB THR 44 HB THR 44 9.907 11.352 -4.869 331 HG1 THR 44 HG1 THR 44 8.531 12.115 -6.608 332 1HG2 THR 44 2HG2 THR 44 10.430 9.753 -7.419 333 2HG2 THR 44 3HG2 THR 44 10.672 11.515 -7.342 334 3HG2 THR 44 1HG2 THR 44 11.631 10.438 -6.297 335 H GLU 45 H GLU 45 9.525 10.071 -2.672 336 HA GLU 45 HA GLU 45 7.292 8.940 -1.534 337 1HB GLU 45 1HB GLU 45 8.951 11.345 -0.664 338 2HB GLU 45 2HB GLU 45 7.753 10.574 0.357 339 1HG GLU 45 1HG GLU 45 9.047 8.679 0.699 340 2HG GLU 45 2HG GLU 45 9.762 8.742 -0.899 341 H ALA 46 H ALA 46 7.644 11.800 -3.510 342 HA ALA 46 HA ALA 46 5.360 13.174 -2.512 343 1HB ALA 46 1HB ALA 46 7.430 13.495 -4.575 344 2HB ALA 46 2HB ALA 46 5.830 14.072 -5.100 345 3HB ALA 46 3HB ALA 46 6.571 14.727 -3.620 346 H GLU 47 H GLU 47 6.057 10.979 -5.302 347 HA GLU 47 HA GLU 47 3.554 11.166 -6.440 348 1HB GLU 47 1HB GLU 47 5.440 10.190 -7.634 349 2HB GLU 47 2HB GLU 47 5.601 8.909 -6.449 350 1HG GLU 47 1HG GLU 47 4.176 7.644 -7.675 351 2HG GLU 47 2HG GLU 47 2.895 8.783 -7.311 352 H LEU 48 H LEU 48 4.867 8.519 -4.305 353 HA LEU 48 HA LEU 48 2.639 7.029 -4.022 354 1HB LEU 48 1HB LEU 48 4.601 7.740 -1.837 355 2HB LEU 48 2HB LEU 48 3.526 6.357 -1.845 356 HG LEU 48 HG LEU 48 5.477 6.700 -4.100 357 1HD1 LEU 48 3HD1 LEU 48 6.173 5.615 -1.357 358 2HD1 LEU 48 1HD1 LEU 48 7.173 5.440 -2.820 359 3HD1 LEU 48 2HD1 LEU 48 6.858 7.057 -2.146 360 1HD2 LEU 48 1HD2 LEU 48 4.136 4.355 -2.743 361 2HD2 LEU 48 2HD2 LEU 48 3.931 4.935 -4.413 362 3HD2 LEU 48 3HD2 LEU 48 5.463 4.176 -3.917 363 H GLN 49 H GLN 49 3.524 9.821 -1.865 364 HA GLN 49 HA GLN 49 1.380 9.850 -0.291 365 1HB GLN 49 1HB GLN 49 3.458 11.567 -0.773 366 2HB GLN 49 2HB GLN 49 2.122 12.536 -1.363 367 1HG GLN 49 1HG GLN 49 1.996 13.143 0.862 368 2HG GLN 49 2HG GLN 49 0.987 11.712 0.945 369 1HE2 GLN 49 2HE2 GLN 49 2.941 10.404 3.478 370 2HE2 GLN 49 1HE2 GLN 49 1.390 10.848 2.848 371 H ASP 50 H ASP 50 1.564 11.137 -3.657 372 HA ASP 50 HA ASP 50 -0.969 12.265 -3.649 373 1HB ASP 50 1HB ASP 50 1.169 11.721 -5.541 374 2HB ASP 50 2HB ASP 50 -0.362 11.298 -6.282 375 H MET 51 H MET 51 0.326 8.987 -4.358 376 HA MET 51 HA MET 51 -2.090 8.024 -5.453 377 1HB MET 51 1HB MET 51 0.244 6.474 -4.201 378 2HB MET 51 2HB MET 51 -0.922 5.830 -5.340 379 1HG MET 51 1HG MET 51 -0.066 7.161 -7.149 380 2HG MET 51 2HG MET 51 0.801 8.232 -6.066 381 1HE MET 51 2HE MET 51 0.300 5.029 -7.650 382 2HE MET 51 3HE MET 51 1.811 5.282 -8.555 383 3HE MET 51 1HE MET 51 1.714 3.997 -7.328 384 H ILE 52 H ILE 52 -0.434 7.685 -2.243 385 HA ILE 52 HA ILE 52 -2.213 5.970 -1.055 386 HB ILE 52 HB ILE 52 -0.390 8.124 -0.064 387 1HG1 ILE 52 1HG1 ILE 52 -0.420 5.146 -0.232 388 2HG1 ILE 52 2HG1 ILE 52 0.877 6.280 -0.553 389 1HG2 ILE 52 3HG2 ILE 52 -2.273 6.500 1.669 390 2HG2 ILE 52 1HG2 ILE 52 -0.893 7.456 2.262 391 3HG2 ILE 52 2HG2 ILE 52 -2.261 8.268 1.463 392 1HD1 ILE 52 2HD1 ILE 52 0.943 6.770 1.961 393 2HD1 ILE 52 3HD1 ILE 52 -0.168 5.395 2.169 394 3HD1 ILE 52 1HD1 ILE 52 1.455 5.132 1.486 395 H ASN 53 H ASN 53 -2.454 9.501 -1.625 396 HA ASN 53 HA ASN 53 -4.616 9.949 0.023 397 1HB ASN 53 1HB ASN 53 -3.507 11.277 -2.468 398 2HB ASN 53 2HB ASN 53 -5.057 11.820 -1.856 399 1HD2 ASN 53 2HD2 ASN 53 -2.058 13.685 -0.400 400 2HD2 ASN 53 1HD2 ASN 53 -2.457 13.164 -2.003 401 H GLU 54 H GLU 54 -4.270 8.311 -3.066 402 HA GLU 54 HA GLU 54 -6.959 8.696 -3.887 403 1HB GLU 54 1HB GLU 54 -4.892 6.672 -4.856 404 2HB GLU 54 2HB GLU 54 -6.383 7.083 -5.679 405 1HG GLU 54 1HG GLU 54 -5.464 9.565 -5.562 406 2HG GLU 54 2HG GLU 54 -3.914 8.798 -5.278 407 H VAL 55 H VAL 55 -5.195 6.467 -1.812 408 HA VAL 55 HA VAL 55 -7.630 4.832 -1.612 409 HB VAL 55 HB VAL 55 -5.684 3.220 -0.651 410 1HG1 VAL 55 1HG1 VAL 55 -7.288 3.433 -3.048 411 2HG1 VAL 55 2HG1 VAL 55 -5.712 2.692 -3.420 412 3HG1 VAL 55 3HG1 VAL 55 -6.756 1.981 -2.166 413 1HG2 VAL 55 1HG2 VAL 55 -3.988 5.003 -1.365 414 2HG2 VAL 55 2HG2 VAL 55 -3.684 3.333 -1.902 415 3HG2 VAL 55 3HG2 VAL 55 -4.361 4.525 -3.038 416 H ASP 56 H ASP 56 -7.042 7.373 -0.245 417 HA ASP 56 HA ASP 56 -7.423 6.378 2.397 418 1HB ASP 56 1HB ASP 56 -5.006 6.516 2.464 419 2HB ASP 56 2HB ASP 56 -5.003 8.061 1.637 420 H ALA 57 H ALA 57 -9.287 7.563 2.863 421 HA ALA 57 HA ALA 57 -9.437 10.302 1.842 422 1HB ALA 57 2HB ALA 57 -11.536 8.339 2.844 423 2HB ALA 57 3HB ALA 57 -11.882 10.018 2.367 424 3HB ALA 57 1HB ALA 57 -11.265 8.860 1.163 425 H ASP 58 H ASP 58 -8.583 8.525 4.610 426 HA ASP 58 HA ASP 58 -9.780 10.234 6.520 427 1HB ASP 58 1HB ASP 58 -9.037 8.657 7.983 428 2HB ASP 58 2HB ASP 58 -8.569 7.740 6.565 429 H GLY 59 H GLY 59 -6.612 9.885 4.841 430 1HA GLY 59 1HA GLY 59 -5.028 11.469 4.452 431 2HA GLY 59 2HA GLY 59 -5.924 12.621 5.422 432 H ASN 60 H ASN 60 -5.005 9.341 6.550 433 HA ASN 60 HA ASN 60 -3.775 10.499 8.819 434 1HB ASN 60 1HB ASN 60 -3.403 8.145 9.510 435 2HB ASN 60 2HB ASN 60 -5.039 8.338 8.912 436 1HD2 ASN 60 2HD2 ASN 60 -3.363 5.269 7.493 437 2HD2 ASN 60 1HD2 ASN 60 -3.559 5.923 9.085 438 H GLY 61 H GLY 61 -2.817 9.437 5.618 439 1HA GLY 61 1HA GLY 61 -0.692 10.116 4.782 440 2HA GLY 61 2HA GLY 61 0.022 9.781 6.347 441 H THR 62 H THR 62 -1.401 7.234 6.817 442 HA THR 62 HA THR 62 0.141 5.593 4.935 443 HB THR 62 HB THR 62 -0.241 3.878 6.851 444 HG1 THR 62 HG1 THR 62 -1.547 4.709 8.431 445 1HG2 THR 62 1HG2 THR 62 1.783 5.679 6.568 446 2HG2 THR 62 2HG2 THR 62 1.065 6.298 8.075 447 3HG2 THR 62 3HG2 THR 62 1.653 4.620 7.992 448 H ILE 63 H ILE 63 -0.955 3.227 4.835 449 HA ILE 63 HA ILE 63 -3.753 3.723 4.089 450 HB ILE 63 HB ILE 63 -1.671 2.090 2.634 451 1HG1 ILE 63 1HG1 ILE 63 -2.039 4.780 2.497 452 2HG1 ILE 63 2HG1 ILE 63 -1.422 3.789 1.190 453 1HG2 ILE 63 3HG2 ILE 63 -4.642 2.382 2.122 454 2HG2 ILE 63 1HG2 ILE 63 -3.476 1.678 0.976 455 3HG2 ILE 63 2HG2 ILE 63 -3.758 0.897 2.550 456 1HD1 ILE 63 3HD1 ILE 63 -4.378 4.435 1.603 457 2HD1 ILE 63 1HD1 ILE 63 -3.301 5.288 0.470 458 3HD1 ILE 63 2HD1 ILE 63 -3.670 3.564 0.221 459 H ASP 64 H ASP 64 -5.260 2.159 4.685 460 HA ASP 64 HA ASP 64 -4.159 0.153 6.476 461 1HB ASP 64 1HB ASP 64 -7.013 1.211 6.209 462 2HB ASP 64 2HB ASP 64 -6.481 0.047 7.406 463 H PHE 65 H PHE 65 -6.317 -1.662 6.559 464 HA PHE 65 HA PHE 65 -5.992 -3.005 4.073 465 1HB PHE 65 1HB PHE 65 -6.210 -3.978 6.458 466 2HB PHE 65 2HB PHE 65 -7.892 -3.487 6.446 467 HD1 PHE 65 HD1 PHE 65 -5.948 -5.009 3.666 468 HD2 PHE 65 HD2 PHE 65 -9.031 -5.523 6.536 469 HE1 PHE 65 HE1 PHE 65 -6.579 -7.192 2.599 470 HE2 PHE 65 HE2 PHE 65 -9.661 -7.706 5.469 471 HZ PHE 65 HZ PHE 65 -8.428 -8.514 3.513 472 HA PRO 66 HA PRO 66 -10.575 -1.811 3.733 473 1HB PRO 66 1HB PRO 66 -11.559 0.187 5.317 474 2HB PRO 66 2HB PRO 66 -11.734 -1.514 5.700 475 1HG PRO 66 1HG PRO 66 -9.920 0.481 6.910 476 2HG PRO 66 2HG PRO 66 -10.414 -1.077 7.540 477 1HD PRO 66 1HD PRO 66 -7.894 -0.437 6.329 478 2HD PRO 66 2HD PRO 66 -8.433 -2.020 6.854 479 H GLU 67 H GLU 67 -7.973 0.272 3.956 480 HA GLU 67 HA GLU 67 -9.303 2.186 2.230 481 1HB GLU 67 1HB GLU 67 -6.488 2.421 3.353 482 2HB GLU 67 2HB GLU 67 -7.517 3.706 2.753 483 1HG GLU 67 1HG GLU 67 -8.945 3.633 4.657 484 2HG GLU 67 2HG GLU 67 -8.428 2.019 5.104 485 H PHE 68 H PHE 68 -6.878 -0.385 2.296 486 HA PHE 68 HA PHE 68 -5.846 0.367 -0.301 487 1HB PHE 68 1HB PHE 68 -4.158 -0.548 1.092 488 2HB PHE 68 2HB PHE 68 -5.292 -1.572 1.950 489 HD1 PHE 68 HD1 PHE 68 -6.190 -3.636 0.718 490 HD2 PHE 68 HD2 PHE 68 -2.811 -1.434 -0.604 491 HE1 PHE 68 HE1 PHE 68 -5.436 -5.607 -0.640 492 HE2 PHE 68 HE2 PHE 68 -2.058 -3.406 -1.962 493 HZ PHE 68 HZ PHE 68 -3.379 -5.469 -1.964 494 H LEU 69 H LEU 69 -7.987 -2.067 1.233 495 HA LEU 69 HA LEU 69 -8.194 -3.996 -0.594 496 1HB LEU 69 1HB LEU 69 -10.189 -2.612 1.134 497 2HB LEU 69 2HB LEU 69 -10.781 -3.757 -0.053 498 HG LEU 69 HG LEU 69 -8.595 -4.526 1.875 499 1HD1 LEU 69 1HD1 LEU 69 -11.467 -4.081 2.461 500 2HD1 LEU 69 2HD1 LEU 69 -10.759 -5.599 3.064 501 3HD1 LEU 69 3HD1 LEU 69 -10.047 -4.036 3.534 502 1HD2 LEU 69 1HD2 LEU 69 -9.280 -5.890 -0.211 503 2HD2 LEU 69 2HD2 LEU 69 -9.121 -6.729 1.351 504 3HD2 LEU 69 3HD2 LEU 69 -10.734 -6.306 0.728 505 H THR 70 H THR 70 -9.661 -0.706 -0.868 506 HA THR 70 HA THR 70 -11.073 -1.075 -3.201 507 HB THR 70 HB THR 70 -11.198 0.947 -1.788 508 HG1 THR 70 HG1 THR 70 -9.940 1.469 -4.388 509 1HG2 THR 70 2HG2 THR 70 -8.526 0.929 -1.499 510 2HG2 THR 70 3HG2 THR 70 -8.591 1.936 -2.965 511 3HG2 THR 70 1HG2 THR 70 -9.426 2.465 -1.484 512 H MET 71 H MET 71 -7.605 -0.074 -2.868 513 HA MET 71 HA MET 71 -6.985 0.309 -5.422 514 1HB MET 71 1HB MET 71 -5.616 -0.267 -3.002 515 2HB MET 71 2HB MET 71 -5.003 -1.465 -4.124 516 1HG MET 71 1HG MET 71 -5.119 1.078 -5.503 517 2HG MET 71 2HG MET 71 -4.320 1.329 -3.963 518 1HE MET 71 3HE MET 71 -3.322 1.840 -6.566 519 2HE MET 71 1HE MET 71 -1.664 1.600 -5.965 520 3HE MET 71 2HE MET 71 -2.238 0.687 -7.381 521 H MET 72 H MET 72 -7.021 -2.942 -3.795 522 HA MET 72 HA MET 72 -6.250 -4.398 -5.976 523 1HB MET 72 1HB MET 72 -8.182 -5.085 -3.693 524 2HB MET 72 2HB MET 72 -7.498 -6.288 -4.768 525 1HG MET 72 1HG MET 72 -5.398 -4.548 -3.676 526 2HG MET 72 2HG MET 72 -6.332 -5.284 -2.389 527 1HE MET 72 2HE MET 72 -3.482 -5.367 -4.199 528 2HE MET 72 3HE MET 72 -2.951 -7.047 -4.448 529 3HE MET 72 1HE MET 72 -4.003 -6.259 -5.649 530 H ALA 73 H ALA 73 -9.617 -3.611 -4.855 531 HA ALA 73 HA ALA 73 -11.008 -4.965 -6.787 532 1HB ALA 73 1HB ALA 73 -11.625 -3.366 -4.684 533 2HB ALA 73 2HB ALA 73 -12.004 -2.260 -6.026 534 3HB ALA 73 3HB ALA 73 -12.806 -3.846 -5.925 535 H ARG 74 H ARG 74 -9.645 -1.608 -6.906 536 HA ARG 74 HA ARG 74 -9.992 -1.793 -9.792 537 1HB ARG 74 1HB ARG 74 -11.475 -0.049 -9.090 538 2HB ARG 74 2HB ARG 74 -10.346 0.555 -7.894 539 1HG ARG 74 1HG ARG 74 -9.080 0.649 -10.506 540 2HG ARG 74 2HG ARG 74 -10.654 1.413 -10.613 541 1HD ARG 74 1HD ARG 74 -9.840 3.257 -9.570 542 2HD ARG 74 2HD ARG 74 -9.466 2.300 -8.150 543 HE ARG 74 HE ARG 74 -7.347 1.675 -9.728 544 1HH1 ARG 74 2HH2 ARG 74 -8.829 4.788 -9.023 545 2HH1 ARG 74 1HH2 ARG 74 -7.357 5.678 -9.223 546 1HH2 ARG 74 2HH1 ARG 74 -5.405 2.849 -9.992 547 2HH2 ARG 74 1HH1 ARG 74 -5.396 4.568 -9.778 548 H LYS 75 H LYS 75 -7.782 -2.814 -9.719 549 HA LYS 75 HA LYS 75 -5.542 -1.813 -8.615 550 1HB LYS 75 1HB LYS 75 -6.201 -3.485 -10.925 551 2HB LYS 75 2HB LYS 75 -4.691 -2.621 -11.136 552 1HG LYS 75 1HG LYS 75 -3.862 -3.468 -8.959 553 2HG LYS 75 2HG LYS 75 -5.395 -4.261 -8.656 554 1HD LYS 75 1HD LYS 75 -4.500 -5.117 -11.252 555 2HD LYS 75 2HD LYS 75 -3.128 -5.238 -10.169 556 1HE LYS 75 1HE LYS 75 -4.381 -7.344 -10.104 557 2HE LYS 75 2HE LYS 75 -4.527 -6.548 -8.550 558 1HZ LYS 75 3HZ LYS 75 -6.548 -5.847 -10.460 559 2HZ LYS 75 1HZ LYS 75 -6.585 -7.404 -9.970 560 3HZ LYS 75 2HZ LYS 75 -6.692 -6.199 -8.872 No H/Q in entry = 560 Start of MODEL 5 1 H MET 0 H MET 0 -29.356 -17.581 2.325 2 HA MET 0 HA MET 0 -29.244 -20.053 3.699 3 1HB MET 0 1HB MET 0 -30.226 -18.994 1.049 4 2HB MET 0 2HB MET 0 -29.917 -20.717 1.123 5 1HG MET 0 1HG MET 0 -31.362 -20.756 3.266 6 2HG MET 0 2HG MET 0 -31.826 -19.110 2.880 7 1HE MET 0 2HE MET 0 -33.633 -21.509 3.318 8 2HE MET 0 3HE MET 0 -34.548 -20.114 2.699 9 3HE MET 0 1HE MET 0 -34.743 -21.713 1.941 10 H ALA 1 H ALA 1 -27.636 -18.692 0.741 11 HA ALA 1 HA ALA 1 -25.149 -19.611 1.163 12 1HB ALA 1 1HB ALA 1 -26.973 -21.817 0.294 13 2HB ALA 1 2HB ALA 1 -25.367 -21.739 -0.470 14 3HB ALA 1 3HB ALA 1 -25.505 -21.877 1.299 15 H ASP 2 H ASP 2 -25.174 -17.501 0.059 16 HA ASP 2 HA ASP 2 -24.489 -17.757 -2.592 17 1HB ASP 2 1HB ASP 2 -26.982 -18.047 -2.880 18 2HB ASP 2 2HB ASP 2 -27.225 -16.466 -2.163 19 H GLN 3 H GLN 3 -23.320 -16.578 -0.352 20 HA GLN 3 HA GLN 3 -23.074 -13.897 -1.219 21 1HB GLN 3 1HB GLN 3 -23.692 -12.825 0.937 22 2HB GLN 3 2HB GLN 3 -25.068 -13.599 0.178 23 1HG GLN 3 1HG GLN 3 -25.390 -14.653 2.170 24 2HG GLN 3 2HG GLN 3 -24.030 -15.666 1.727 25 1HE2 GLN 3 2HE2 GLN 3 -22.567 -14.742 4.752 26 2HE2 GLN 3 1HE2 GLN 3 -23.308 -15.971 3.782 27 H LEU 4 H LEU 4 -20.901 -13.547 -1.124 28 HA LEU 4 HA LEU 4 -19.246 -15.296 0.373 29 1HB LEU 4 1HB LEU 4 -17.446 -13.729 -0.449 30 2HB LEU 4 2HB LEU 4 -18.382 -14.586 -1.658 31 HG LEU 4 HG LEU 4 -19.450 -11.922 -0.985 32 1HD1 LEU 4 2HD1 LEU 4 -16.603 -12.243 -1.584 33 2HD1 LEU 4 3HD1 LEU 4 -17.450 -11.172 -2.726 34 3HD1 LEU 4 1HD1 LEU 4 -17.503 -10.831 -0.979 35 1HD2 LEU 4 1HD2 LEU 4 -19.304 -13.763 -3.238 36 2HD2 LEU 4 2HD2 LEU 4 -20.477 -12.472 -2.883 37 3HD2 LEU 4 3HD2 LEU 4 -18.949 -12.085 -3.710 38 H THR 5 H THR 5 -17.338 -14.099 1.701 39 HA THR 5 HA THR 5 -18.365 -11.945 3.333 40 HB THR 5 HB THR 5 -18.730 -13.174 5.280 41 HG1 THR 5 HG1 THR 5 -16.808 -15.000 4.019 42 1HG2 THR 5 1HG2 THR 5 -18.940 -15.377 3.160 43 2HG2 THR 5 2HG2 THR 5 -19.589 -15.489 4.813 44 3HG2 THR 5 3HG2 THR 5 -20.261 -14.300 3.671 45 H GLU 6 H GLU 6 -16.524 -12.146 5.442 46 HA GLU 6 HA GLU 6 -14.397 -10.871 4.434 47 1HB GLU 6 1HB GLU 6 -14.528 -12.685 6.880 48 2HB GLU 6 2HB GLU 6 -13.190 -11.600 6.557 49 1HG GLU 6 1HG GLU 6 -14.922 -9.697 6.412 50 2HG GLU 6 2HG GLU 6 -16.105 -10.834 7.026 51 H GLU 7 H GLU 7 -14.984 -14.375 4.510 52 HA GLU 7 HA GLU 7 -12.584 -15.468 4.314 53 1HB GLU 7 1HB GLU 7 -15.074 -16.043 2.665 54 2HB GLU 7 2HB GLU 7 -13.658 -17.073 2.592 55 1HG GLU 7 1HG GLU 7 -14.241 -16.581 5.376 56 2HG GLU 7 2HG GLU 7 -15.740 -17.035 4.590 57 H GLN 8 H GLN 8 -14.252 -13.603 1.724 58 HA GLN 8 HA GLN 8 -12.367 -14.169 -0.248 59 1HB GLN 8 1HB GLN 8 -14.768 -12.605 0.037 60 2HB GLN 8 2HB GLN 8 -13.547 -11.577 -0.688 61 1HG GLN 8 1HG GLN 8 -14.170 -12.579 -2.648 62 2HG GLN 8 2HG GLN 8 -13.139 -13.892 -2.114 63 1HE2 GLN 8 2HE2 GLN 8 -15.937 -15.817 -0.730 64 2HE2 GLN 8 1HE2 GLN 8 -14.403 -15.188 -0.226 65 H ILE 9 H ILE 9 -12.681 -11.528 2.187 66 HA ILE 9 HA ILE 9 -10.645 -9.906 1.239 67 HB ILE 9 HB ILE 9 -12.455 -9.811 3.248 68 1HG1 ILE 9 1HG1 ILE 9 -10.859 -7.748 3.954 69 2HG1 ILE 9 2HG1 ILE 9 -10.147 -8.140 2.402 70 1HG2 ILE 9 3HG2 ILE 9 -10.929 -11.295 4.622 71 2HG2 ILE 9 1HG2 ILE 9 -9.801 -9.920 4.689 72 3HG2 ILE 9 2HG2 ILE 9 -11.434 -9.766 5.380 73 1HD1 ILE 9 1HD1 ILE 9 -13.158 -7.875 2.706 74 2HD1 ILE 9 2HD1 ILE 9 -12.125 -6.452 2.432 75 3HD1 ILE 9 3HD1 ILE 9 -12.180 -7.758 1.224 76 H ALA 10 H ALA 10 -10.572 -12.788 3.399 77 HA ALA 10 HA ALA 10 -8.033 -12.708 4.314 78 1HB ALA 10 3HB ALA 10 -10.073 -14.535 4.257 79 2HB ALA 10 1HB ALA 10 -8.865 -15.339 3.227 80 3HB ALA 10 2HB ALA 10 -8.444 -14.869 4.891 81 H GLU 11 H GLU 11 -9.153 -13.518 0.999 82 HA GLU 11 HA GLU 11 -6.655 -14.409 0.121 83 1HB GLU 11 1HB GLU 11 -9.050 -13.294 -1.401 84 2HB GLU 11 2HB GLU 11 -7.660 -14.024 -2.180 85 1HG GLU 11 1HG GLU 11 -8.064 -16.130 -0.831 86 2HG GLU 11 2HG GLU 11 -9.512 -15.394 -0.172 87 H PHE 12 H PHE 12 -8.237 -11.201 0.298 88 HA PHE 12 HA PHE 12 -6.292 -9.899 -1.305 89 1HB PHE 12 1HB PHE 12 -8.436 -9.105 0.739 90 2HB PHE 12 2HB PHE 12 -7.438 -7.883 -0.022 91 HD1 PHE 12 HD1 PHE 12 -7.285 -9.171 -2.779 92 HD2 PHE 12 HD2 PHE 12 -10.538 -8.489 -0.141 93 HE1 PHE 12 HE1 PHE 12 -8.857 -9.105 -4.734 94 HE2 PHE 12 HE2 PHE 12 -12.110 -8.423 -2.096 95 HZ PHE 12 HZ PHE 12 -11.251 -8.731 -4.370 96 H LYS 13 H LYS 13 -6.656 -10.662 2.164 97 HA LYS 13 HA LYS 13 -5.076 -8.888 3.394 98 1HB LYS 13 1HB LYS 13 -5.399 -11.859 3.756 99 2HB LYS 13 2HB LYS 13 -4.297 -10.960 4.780 100 1HG LYS 13 1HG LYS 13 -6.471 -9.313 4.920 101 2HG LYS 13 2HG LYS 13 -7.289 -10.836 4.636 102 1HD LYS 13 1HD LYS 13 -5.195 -11.247 6.607 103 2HD LYS 13 2HD LYS 13 -6.170 -9.874 7.093 104 1HE LYS 13 1HE LYS 13 -7.316 -12.593 6.294 105 2HE LYS 13 2HE LYS 13 -7.037 -12.092 7.950 106 1HZ LYS 13 1HZ LYS 13 -8.618 -10.378 6.209 107 2HZ LYS 13 2HZ LYS 13 -9.312 -11.708 6.856 108 3HZ LYS 13 3HZ LYS 13 -8.694 -10.552 7.831 109 H GLU 14 H GLU 14 -3.815 -11.894 1.779 110 HA GLU 14 HA GLU 14 -1.183 -11.383 2.150 111 1HB GLU 14 1HB GLU 14 -2.590 -12.711 -0.204 112 2HB GLU 14 2HB GLU 14 -0.854 -12.764 0.026 113 1HG GLU 14 1HG GLU 14 -1.652 -13.558 2.515 114 2HG GLU 14 2HG GLU 14 -3.021 -14.131 1.584 115 H ALA 15 H ALA 15 -3.395 -10.095 -0.376 116 HA ALA 15 HA ALA 15 -1.487 -8.938 -2.021 117 1HB ALA 15 2HB ALA 15 -4.049 -9.262 -2.297 118 2HB ALA 15 3HB ALA 15 -4.192 -7.710 -1.437 119 3HB ALA 15 1HB ALA 15 -3.312 -7.795 -2.982 120 H PHE 16 H PHE 16 -3.327 -7.503 0.766 121 HA PHE 16 HA PHE 16 -2.092 -5.027 0.675 122 1HB PHE 16 1HB PHE 16 -4.151 -5.829 1.994 123 2HB PHE 16 2HB PHE 16 -3.071 -6.681 3.080 124 HD1 PHE 16 HD2 PHE 16 -3.572 -3.241 1.710 125 HD2 PHE 16 HD1 PHE 16 -2.462 -5.628 5.038 126 HE1 PHE 16 HE2 PHE 16 -3.363 -1.176 3.121 127 HE2 PHE 16 HE1 PHE 16 -2.253 -3.563 6.450 128 HZ PHE 16 HZ PHE 16 -2.706 -1.362 5.474 129 H SER 17 H SER 17 -1.023 -8.141 2.045 130 HA SER 17 HA SER 17 0.913 -7.124 3.741 131 1HB SER 17 1HB SER 17 0.925 -9.775 2.230 132 2HB SER 17 2HB SER 17 1.877 -9.410 3.655 133 HG SER 17 HG SER 17 -0.974 -9.734 3.433 134 H LEU 18 H LEU 18 1.075 -8.268 0.300 135 HA LEU 18 HA LEU 18 3.681 -8.145 -0.242 136 1HB LEU 18 1HB LEU 18 1.214 -7.761 -1.710 137 2HB LEU 18 2HB LEU 18 2.507 -6.793 -2.391 138 HG LEU 18 HG LEU 18 3.787 -9.181 -2.084 139 1HD1 LEU 18 3HD1 LEU 18 0.882 -9.818 -2.658 140 2HD1 LEU 18 1HD1 LEU 18 2.239 -10.931 -2.959 141 3HD1 LEU 18 2HD1 LEU 18 1.876 -10.399 -1.300 142 1HD2 LEU 18 1HD2 LEU 18 3.505 -7.589 -4.090 143 2HD2 LEU 18 2HD2 LEU 18 3.785 -9.317 -4.411 144 3HD2 LEU 18 3HD2 LEU 18 2.144 -8.640 -4.550 145 H PHE 19 H PHE 19 1.485 -5.263 -0.107 146 HA PHE 19 HA PHE 19 3.663 -3.473 -0.510 147 1HB PHE 19 1HB PHE 19 0.728 -3.312 0.363 148 2HB PHE 19 2HB PHE 19 1.715 -1.866 0.297 149 HD1 PHE 19 HD2 PHE 19 2.966 -1.487 -2.002 150 HD2 PHE 19 HD1 PHE 19 -0.483 -3.909 -1.512 151 HE1 PHE 19 HE2 PHE 19 2.450 -1.246 -4.447 152 HE2 PHE 19 HE1 PHE 19 -1.000 -3.668 -3.957 153 HZ PHE 19 HZ PHE 19 0.473 -2.340 -5.395 154 H ASP 20 H ASP 20 1.625 -4.482 2.312 155 HA ASP 20 HA ASP 20 2.994 -2.766 4.071 156 1HB ASP 20 1HB ASP 20 0.806 -3.385 4.746 157 2HB ASP 20 2HB ASP 20 1.055 -5.074 4.348 158 H LYS 21 H LYS 21 5.225 -3.172 4.317 159 HA LYS 21 HA LYS 21 5.988 -5.964 4.817 160 1HB LYS 21 1HB LYS 21 7.380 -3.689 3.430 161 2HB LYS 21 2HB LYS 21 8.329 -4.945 4.199 162 1HG LYS 21 1HG LYS 21 6.058 -5.902 2.499 163 2HG LYS 21 2HG LYS 21 7.366 -5.116 1.638 164 1HD LYS 21 1HD LYS 21 8.282 -7.227 1.673 165 2HD LYS 21 2HD LYS 21 8.850 -6.722 3.251 166 1HE LYS 21 1HE LYS 21 7.772 -8.941 3.402 167 2HE LYS 21 2HE LYS 21 6.863 -7.762 4.327 168 1HZ LYS 21 2HZ LYS 21 6.120 -8.150 1.554 169 2HZ LYS 21 3HZ LYS 21 5.713 -9.321 2.616 170 3HZ LYS 21 1HZ LYS 21 5.180 -7.794 2.841 171 H ASP 22 H ASP 22 4.743 -4.283 6.818 172 HA ASP 22 HA ASP 22 7.062 -3.747 8.500 173 1HB ASP 22 1HB ASP 22 4.385 -2.452 8.173 174 2HB ASP 22 2HB ASP 22 4.943 -2.597 9.828 175 H GLY 23 H GLY 23 3.570 -4.109 9.362 176 1HA GLY 23 1HA GLY 23 2.962 -6.515 9.996 177 2HA GLY 23 2HA GLY 23 4.295 -6.359 11.123 178 H ASP 24 H ASP 24 1.926 -3.817 10.116 179 HA ASP 24 HA ASP 24 1.008 -3.824 12.884 180 1HB ASP 24 1HB ASP 24 0.852 -1.418 12.827 181 2HB ASP 24 2HB ASP 24 2.446 -1.834 12.230 182 H GLY 25 H GLY 25 0.359 -3.558 9.393 183 1HA GLY 25 1HA GLY 25 -1.708 -4.428 8.561 184 2HA GLY 25 2HA GLY 25 -2.536 -3.745 9.946 185 H THR 26 H THR 26 0.050 -1.884 8.398 186 HA THR 26 HA THR 26 -1.931 -0.321 6.907 187 HB THR 26 HB THR 26 -1.391 0.566 9.324 188 HG1 THR 26 HG1 THR 26 -2.337 2.064 7.947 189 1HG2 THR 26 3HG2 THR 26 1.257 0.383 8.380 190 2HG2 THR 26 1HG2 THR 26 0.842 2.098 8.151 191 3HG2 THR 26 2HG2 THR 26 0.714 1.360 9.765 192 H ILE 27 H ILE 27 -0.902 1.180 5.321 193 HA ILE 27 HA ILE 27 1.725 0.165 4.504 194 HB ILE 27 HB ILE 27 -0.679 0.610 2.730 195 1HG1 ILE 27 1HG1 ILE 27 0.809 -1.926 3.477 196 2HG1 ILE 27 2HG1 ILE 27 -0.795 -1.473 4.019 197 1HG2 ILE 27 2HG2 ILE 27 1.655 1.285 1.852 198 2HG2 ILE 27 3HG2 ILE 27 1.982 -0.465 1.821 199 3HG2 ILE 27 1HG2 ILE 27 0.643 0.208 0.859 200 1HD1 ILE 27 3HD1 ILE 27 -0.118 -1.675 1.060 201 2HD1 ILE 27 1HD1 ILE 27 -0.660 -3.083 2.005 202 3HD1 ILE 27 2HD1 ILE 27 -1.726 -1.669 1.822 203 H THR 28 H THR 28 3.013 1.883 5.004 204 HA THR 28 HA THR 28 2.031 4.569 4.692 205 HB THR 28 HB THR 28 3.519 3.908 6.568 206 HG1 THR 28 HG1 THR 28 3.891 6.050 5.946 207 1HG2 THR 28 3HG2 THR 28 5.336 3.105 4.266 208 2HG2 THR 28 1HG2 THR 28 6.038 3.677 5.798 209 3HG2 THR 28 2HG2 THR 28 5.007 2.226 5.778 210 H THR 29 H THR 29 4.726 5.572 3.819 211 HA THR 29 HA THR 29 4.136 5.431 0.983 212 HB THR 29 HB THR 29 6.044 7.220 1.043 213 HG1 THR 29 HG1 THR 29 6.980 6.972 3.061 214 1HG2 THR 29 1HG2 THR 29 3.392 7.595 1.317 215 2HG2 THR 29 2HG2 THR 29 3.862 8.001 2.985 216 3HG2 THR 29 3HG2 THR 29 4.535 8.926 1.621 217 H LYS 30 H LYS 30 6.979 4.818 3.149 218 HA LYS 30 HA LYS 30 8.656 3.883 1.170 219 1HB LYS 30 1HB LYS 30 8.948 4.398 3.768 220 2HB LYS 30 2HB LYS 30 8.752 2.662 3.899 221 1HG LYS 30 1HG LYS 30 10.648 2.225 2.485 222 2HG LYS 30 2HG LYS 30 10.692 3.873 1.893 223 1HD LYS 30 1HD LYS 30 11.898 4.619 3.690 224 2HD LYS 30 2HD LYS 30 10.921 3.724 4.837 225 1HE LYS 30 1HE LYS 30 12.479 1.852 3.241 226 2HE LYS 30 2HE LYS 30 13.546 3.076 3.899 227 1HZ LYS 30 1HZ LYS 30 11.614 2.103 5.764 228 2HZ LYS 30 2HZ LYS 30 12.656 0.958 5.245 229 3HZ LYS 30 3HZ LYS 30 13.222 2.319 5.947 230 H GLU 31 H GLU 31 6.555 1.930 3.407 231 HA GLU 31 HA GLU 31 7.068 -0.491 2.323 232 1HB GLU 31 1HB GLU 31 4.437 0.566 3.445 233 2HB GLU 31 2HB GLU 31 4.770 -1.132 3.170 234 1HG GLU 31 1HG GLU 31 6.821 -0.888 4.679 235 2HG GLU 31 2HG GLU 31 6.278 0.735 5.057 236 H LEU 32 H LEU 32 5.230 2.179 0.952 237 HA LEU 32 HA LEU 32 3.892 0.507 -0.975 238 1HB LEU 32 1HB LEU 32 3.075 2.698 0.149 239 2HB LEU 32 2HB LEU 32 4.061 3.503 -1.055 240 HG LEU 32 HG LEU 32 2.618 1.756 -2.609 241 1HD1 LEU 32 3HD1 LEU 32 1.144 2.164 -0.101 242 2HD1 LEU 32 1HD1 LEU 32 0.217 2.564 -1.568 243 3HD1 LEU 32 2HD1 LEU 32 0.933 0.945 -1.381 244 1HD2 LEU 32 2HD2 LEU 32 2.738 4.601 -2.095 245 2HD2 LEU 32 3HD2 LEU 32 2.458 3.726 -3.619 246 3HD2 LEU 32 1HD2 LEU 32 1.090 4.100 -2.544 247 H GLY 33 H GLY 33 6.783 2.596 -0.727 248 1HA GLY 33 1HA GLY 33 7.327 2.403 -3.570 249 2HA GLY 33 2HA GLY 33 8.280 3.217 -2.345 250 H THR 34 H THR 34 7.390 0.101 -1.237 251 HA THR 34 HA THR 34 10.099 -0.847 -1.729 252 HB THR 34 HB THR 34 7.912 -1.255 0.256 253 HG1 THR 34 HG1 THR 34 9.783 -1.008 1.483 254 1HG2 THR 34 3HG2 THR 34 8.143 -3.581 -0.774 255 2HG2 THR 34 1HG2 THR 34 9.880 -3.509 -0.392 256 3HG2 THR 34 2HG2 THR 34 8.678 -3.487 0.921 257 H VAL 35 H VAL 35 6.681 -1.875 -2.304 258 HA VAL 35 HA VAL 35 7.446 -4.209 -3.693 259 HB VAL 35 HB VAL 35 4.955 -2.626 -3.253 260 1HG1 VAL 35 2HG1 VAL 35 5.333 -4.691 -5.432 261 2HG1 VAL 35 3HG1 VAL 35 3.745 -4.360 -4.698 262 3HG1 VAL 35 1HG1 VAL 35 4.619 -3.064 -5.550 263 1HG2 VAL 35 1HG2 VAL 35 5.872 -4.418 -1.691 264 2HG2 VAL 35 2HG2 VAL 35 4.176 -4.601 -2.197 265 3HG2 VAL 35 3HG2 VAL 35 5.442 -5.599 -2.951 266 H MET 36 H MET 36 7.287 -0.803 -4.515 267 HA MET 36 HA MET 36 6.954 -1.192 -7.284 268 1HB MET 36 1HB MET 36 8.139 1.139 -5.675 269 2HB MET 36 2HB MET 36 7.683 1.239 -7.364 270 1HG MET 36 1HG MET 36 5.435 0.146 -5.919 271 2HG MET 36 2HG MET 36 6.000 1.550 -5.036 272 1HE MET 36 3HE MET 36 3.873 0.196 -7.176 273 2HE MET 36 1HE MET 36 2.917 1.697 -7.131 274 3HE MET 36 2HE MET 36 3.634 1.144 -8.663 275 H ARG 37 H ARG 37 9.786 -0.751 -5.093 276 HA ARG 37 HA ARG 37 11.585 -0.737 -7.284 277 1HB ARG 37 1HB ARG 37 13.340 -0.751 -5.493 278 2HB ARG 37 2HB ARG 37 12.133 0.488 -5.215 279 1HG ARG 37 1HG ARG 37 10.959 -0.979 -3.592 280 2HG ARG 37 2HG ARG 37 12.093 -2.276 -3.912 281 1HD ARG 37 1HD ARG 37 13.243 -1.421 -2.122 282 2HD ARG 37 2HD ARG 37 13.842 -0.246 -3.277 283 HE ARG 37 HE ARG 37 11.454 0.875 -2.461 284 1HH1 ARG 37 2HH2 ARG 37 14.255 -0.365 -0.729 285 2HH1 ARG 37 1HH2 ARG 37 14.058 0.708 0.616 286 1HH2 ARG 37 2HH1 ARG 37 11.194 2.291 -0.687 287 2HH2 ARG 37 1HH1 ARG 37 12.305 2.229 0.641 288 H SER 38 H SER 38 9.721 -3.144 -5.918 289 HA SER 38 HA SER 38 11.811 -5.147 -6.064 290 1HB SER 38 1HB SER 38 10.054 -4.932 -4.132 291 2HB SER 38 2HB SER 38 8.928 -5.653 -5.265 292 HG SER 38 HG SER 38 10.600 -6.957 -3.695 293 H LEU 39 H LEU 39 10.237 -3.587 -8.322 294 HA LEU 39 HA LEU 39 9.748 -5.995 -9.898 295 1HB LEU 39 1HB LEU 39 7.614 -4.945 -8.878 296 2HB LEU 39 2HB LEU 39 7.858 -3.665 -10.049 297 HG LEU 39 HG LEU 39 8.030 -6.240 -11.356 298 1HD1 LEU 39 2HD1 LEU 39 5.679 -5.795 -9.532 299 2HD1 LEU 39 3HD1 LEU 39 5.508 -6.711 -11.048 300 3HD1 LEU 39 1HD1 LEU 39 6.645 -7.266 -9.796 301 1HD2 LEU 39 2HD2 LEU 39 7.550 -3.930 -12.312 302 2HD2 LEU 39 3HD2 LEU 39 6.539 -5.272 -12.900 303 3HD2 LEU 39 1HD2 LEU 39 5.893 -4.133 -11.693 304 H GLY 40 H GLY 40 10.109 -2.396 -9.801 305 1HA GLY 40 1HA GLY 40 12.271 -2.019 -11.278 306 2HA GLY 40 2HA GLY 40 11.117 -2.408 -12.538 307 H GLN 41 H GLN 41 10.595 -0.623 -9.428 308 HA GLN 41 HA GLN 41 10.184 1.780 -10.993 309 1HB GLN 41 1HB GLN 41 8.114 0.324 -9.382 310 2HB GLN 41 2HB GLN 41 8.121 2.072 -9.258 311 1HG GLN 41 1HG GLN 41 7.725 2.366 -11.595 312 2HG GLN 41 2HG GLN 41 8.229 0.733 -11.982 313 1HE2 GLN 41 2HE2 GLN 41 5.217 -0.855 -10.839 314 2HE2 GLN 41 1HE2 GLN 41 6.940 -1.025 -10.861 315 H ASN 42 H ASN 42 9.619 3.668 -9.218 316 HA ASN 42 HA ASN 42 10.551 3.394 -6.662 317 1HB ASN 42 1HB ASN 42 12.750 3.043 -8.126 318 2HB ASN 42 2HB ASN 42 12.686 4.783 -8.324 319 1HD2 ASN 42 2HD2 ASN 42 14.804 3.839 -5.373 320 2HD2 ASN 42 1HD2 ASN 42 14.749 3.392 -7.045 321 HA PRO 43 HA PRO 43 8.712 7.348 -8.115 322 1HB PRO 43 1HB PRO 43 6.340 7.205 -6.766 323 2HB PRO 43 2HB PRO 43 6.529 6.687 -8.429 324 1HG PRO 43 1HG PRO 43 6.280 5.035 -5.990 325 2HG PRO 43 2HG PRO 43 6.045 4.566 -7.662 326 1HD PRO 43 1HD PRO 43 8.326 3.988 -6.023 327 2HD PRO 43 2HD PRO 43 8.140 3.621 -7.726 328 H THR 44 H THR 44 8.834 9.361 -7.177 329 HA THR 44 HA THR 44 10.241 9.423 -4.752 330 HB THR 44 HB THR 44 9.788 11.909 -4.993 331 HG1 THR 44 HG1 THR 44 8.279 12.466 -6.635 332 1HG2 THR 44 3HG2 THR 44 10.511 10.351 -7.525 333 2HG2 THR 44 1HG2 THR 44 10.609 12.125 -7.418 334 3HG2 THR 44 2HG2 THR 44 11.634 11.112 -6.373 335 H GLU 45 H GLU 45 9.626 10.332 -2.682 336 HA GLU 45 HA GLU 45 7.458 9.078 -1.621 337 1HB GLU 45 1HB GLU 45 9.326 11.231 -0.768 338 2HB GLU 45 2HB GLU 45 7.806 11.200 0.103 339 1HG GLU 45 1HG GLU 45 8.139 8.900 0.795 340 2HG GLU 45 2HG GLU 45 9.479 8.687 -0.314 341 H ALA 46 H ALA 46 7.633 12.082 -3.438 342 HA ALA 46 HA ALA 46 5.241 13.230 -2.457 343 1HB ALA 46 2HB ALA 46 7.075 13.629 -4.816 344 2HB ALA 46 3HB ALA 46 5.495 14.447 -4.783 345 3HB ALA 46 1HB ALA 46 6.680 14.746 -3.488 346 H GLU 47 H GLU 47 6.086 11.118 -5.268 347 HA GLU 47 HA GLU 47 3.593 11.154 -6.429 348 1HB GLU 47 1HB GLU 47 5.454 10.274 -7.662 349 2HB GLU 47 2HB GLU 47 5.830 9.098 -6.418 350 1HG GLU 47 1HG GLU 47 4.373 7.584 -7.287 351 2HG GLU 47 2HG GLU 47 3.070 8.756 -7.319 352 H LEU 48 H LEU 48 5.018 8.583 -4.274 353 HA LEU 48 HA LEU 48 2.829 7.005 -4.017 354 1HB LEU 48 1HB LEU 48 4.812 7.718 -1.853 355 2HB LEU 48 2HB LEU 48 3.768 6.312 -1.868 356 HG LEU 48 HG LEU 48 5.671 6.743 -4.149 357 1HD1 LEU 48 3HD1 LEU 48 6.557 6.680 -1.485 358 2HD1 LEU 48 1HD1 LEU 48 6.843 5.045 -2.129 359 3HD1 LEU 48 2HD1 LEU 48 7.525 6.462 -2.962 360 1HD2 LEU 48 3HD2 LEU 48 3.983 4.958 -4.277 361 2HD2 LEU 48 1HD2 LEU 48 5.643 4.316 -4.257 362 3HD2 LEU 48 2HD2 LEU 48 4.641 4.239 -2.788 363 H GLN 49 H GLN 49 3.681 9.778 -1.823 364 HA GLN 49 HA GLN 49 1.572 9.723 -0.205 365 1HB GLN 49 1HB GLN 49 3.586 11.468 -0.593 366 2HB GLN 49 2HB GLN 49 2.306 12.417 -1.322 367 1HG GLN 49 1HG GLN 49 1.940 13.113 0.835 368 2HG GLN 49 2HG GLN 49 1.021 11.626 0.953 369 1HE2 GLN 49 2HE2 GLN 49 2.898 10.647 3.688 370 2HE2 GLN 49 1HE2 GLN 49 1.361 10.968 2.957 371 H ASP 50 H ASP 50 1.642 11.084 -3.549 372 HA ASP 50 HA ASP 50 -0.898 12.156 -3.488 373 1HB ASP 50 1HB ASP 50 1.189 11.645 -5.420 374 2HB ASP 50 2HB ASP 50 -0.326 11.112 -6.120 375 H MET 51 H MET 51 0.393 8.880 -4.257 376 HA MET 51 HA MET 51 -2.032 7.880 -5.256 377 1HB MET 51 1HB MET 51 0.337 6.396 -3.987 378 2HB MET 51 2HB MET 51 -0.859 5.679 -5.048 379 1HG MET 51 1HG MET 51 -0.094 6.956 -6.950 380 2HG MET 51 2HG MET 51 0.842 8.043 -5.944 381 1HE MET 51 3HE MET 51 1.299 6.478 -8.434 382 2HE MET 51 1HE MET 51 3.067 6.421 -8.238 383 3HE MET 51 2HE MET 51 2.135 4.909 -8.344 384 H ILE 52 H ILE 52 -0.332 7.524 -2.063 385 HA ILE 52 HA ILE 52 -2.208 5.906 -0.854 386 HB ILE 52 HB ILE 52 -0.256 7.939 0.189 387 1HG1 ILE 52 1HG1 ILE 52 -0.322 4.935 -0.065 388 2HG1 ILE 52 2HG1 ILE 52 0.857 6.064 -0.700 389 1HG2 ILE 52 2HG2 ILE 52 -2.484 6.707 1.620 390 2HG2 ILE 52 3HG2 ILE 52 -0.902 6.340 2.350 391 3HG2 ILE 52 1HG2 ILE 52 -1.397 8.031 2.102 392 1HD1 ILE 52 1HD1 ILE 52 1.050 6.639 1.973 393 2HD1 ILE 52 2HD1 ILE 52 0.615 4.915 2.039 394 3HD1 ILE 52 3HD1 ILE 52 2.065 5.433 1.146 395 H ASN 53 H ASN 53 -2.303 9.346 -1.655 396 HA ASN 53 HA ASN 53 -4.371 9.947 0.161 397 1HB ASN 53 1HB ASN 53 -2.946 11.307 -2.099 398 2HB ASN 53 2HB ASN 53 -4.575 11.881 -1.803 399 1HD2 ASN 53 2HD2 ASN 53 -2.044 13.795 0.222 400 2HD2 ASN 53 1HD2 ASN 53 -2.207 13.367 -1.449 401 H GLU 54 H GLU 54 -4.249 7.983 -2.567 402 HA GLU 54 HA GLU 54 -6.826 8.801 -3.589 403 1HB GLU 54 1HB GLU 54 -4.888 6.653 -4.558 404 2HB GLU 54 2HB GLU 54 -6.370 7.108 -5.373 405 1HG GLU 54 1HG GLU 54 -5.327 9.566 -5.239 406 2HG GLU 54 2HG GLU 54 -3.817 8.696 -5.055 407 H VAL 55 H VAL 55 -5.251 6.322 -1.612 408 HA VAL 55 HA VAL 55 -7.833 4.927 -1.433 409 HB VAL 55 HB VAL 55 -5.962 3.187 -0.449 410 1HG1 VAL 55 3HG1 VAL 55 -7.654 3.454 -2.799 411 2HG1 VAL 55 1HG1 VAL 55 -6.171 2.541 -3.167 412 3HG1 VAL 55 2HG1 VAL 55 -7.242 2.006 -1.849 413 1HG2 VAL 55 2HG2 VAL 55 -4.170 4.776 -1.264 414 2HG2 VAL 55 3HG2 VAL 55 -4.059 3.113 -1.888 415 3HG2 VAL 55 1HG2 VAL 55 -4.705 4.411 -2.922 416 H ASP 56 H ASP 56 -7.167 7.375 -0.015 417 HA ASP 56 HA ASP 56 -7.533 6.328 2.622 418 1HB ASP 56 1HB ASP 56 -5.096 6.536 2.583 419 2HB ASP 56 2HB ASP 56 -5.192 8.138 1.879 420 H ALA 57 H ALA 57 -9.639 7.354 2.424 421 HA ALA 57 HA ALA 57 -9.786 10.124 1.672 422 1HB ALA 57 1HB ALA 57 -11.478 8.112 1.322 423 2HB ALA 57 2HB ALA 57 -12.043 8.591 2.940 424 3HB ALA 57 3HB ALA 57 -12.078 9.764 1.602 425 H ASP 58 H ASP 58 -8.888 8.419 4.471 426 HA ASP 58 HA ASP 58 -10.157 10.134 6.338 427 1HB ASP 58 1HB ASP 58 -9.439 8.572 7.826 428 2HB ASP 58 2HB ASP 58 -8.891 7.657 6.435 429 H GLY 59 H GLY 59 -7.003 9.841 4.648 430 1HA GLY 59 1HA GLY 59 -5.385 11.383 4.306 431 2HA GLY 59 2HA GLY 59 -6.344 12.575 5.160 432 H ASN 60 H ASN 60 -5.369 9.373 6.480 433 HA ASN 60 HA ASN 60 -4.312 10.671 8.762 434 1HB ASN 60 1HB ASN 60 -3.851 8.350 9.547 435 2HB ASN 60 2HB ASN 60 -5.479 8.472 8.909 436 1HD2 ASN 60 2HD2 ASN 60 -3.684 5.414 7.622 437 2HD2 ASN 60 1HD2 ASN 60 -3.937 6.109 9.189 438 H GLY 61 H GLY 61 -3.143 9.511 5.662 439 1HA GLY 61 1HA GLY 61 -1.008 10.256 4.904 440 2HA GLY 61 2HA GLY 61 -0.364 10.020 6.516 441 H THR 62 H THR 62 -1.927 7.415 6.845 442 HA THR 62 HA THR 62 -0.153 5.770 5.165 443 HB THR 62 HB THR 62 -1.358 4.601 7.623 444 HG1 THR 62 HG1 THR 62 0.634 6.757 7.632 445 1HG2 THR 62 3HG2 THR 62 1.497 4.976 6.577 446 2HG2 THR 62 1HG2 THR 62 1.085 4.101 8.071 447 3HG2 THR 62 2HG2 THR 62 0.534 3.482 6.496 448 H ILE 63 H ILE 63 -1.083 3.443 4.887 449 HA ILE 63 HA ILE 63 -3.902 3.776 4.128 450 HB ILE 63 HB ILE 63 -1.685 2.256 2.756 451 1HG1 ILE 63 1HG1 ILE 63 -2.237 4.901 2.556 452 2HG1 ILE 63 2HG1 ILE 63 -1.548 3.934 1.267 453 1HG2 ILE 63 3HG2 ILE 63 -3.766 0.955 2.725 454 2HG2 ILE 63 1HG2 ILE 63 -4.631 2.356 2.049 455 3HG2 ILE 63 2HG2 ILE 63 -3.342 1.568 1.108 456 1HD1 ILE 63 3HD1 ILE 63 -4.546 4.356 1.652 457 2HD1 ILE 63 1HD1 ILE 63 -3.533 5.309 0.542 458 3HD1 ILE 63 2HD1 ILE 63 -3.751 3.563 0.271 459 H ASP 64 H ASP 64 -5.344 2.084 4.603 460 HA ASP 64 HA ASP 64 -4.207 0.147 6.456 461 1HB ASP 64 1HB ASP 64 -7.101 1.084 6.175 462 2HB ASP 64 2HB ASP 64 -6.502 -0.017 7.400 463 H PHE 65 H PHE 65 -6.408 -1.675 6.502 464 HA PHE 65 HA PHE 65 -6.008 -3.001 3.999 465 1HB PHE 65 1HB PHE 65 -6.189 -3.976 6.411 466 2HB PHE 65 2HB PHE 65 -7.901 -3.611 6.343 467 HD1 PHE 65 HD2 PHE 65 -5.747 -4.980 3.638 468 HD2 PHE 65 HD1 PHE 65 -8.899 -5.719 6.381 469 HE1 PHE 65 HE2 PHE 65 -6.178 -7.199 2.546 470 HE2 PHE 65 HE1 PHE 65 -9.330 -7.938 5.290 471 HZ PHE 65 HZ PHE 65 -7.964 -8.651 3.385 472 HA PRO 66 HA PRO 66 -10.633 -1.970 3.726 473 1HB PRO 66 1HB PRO 66 -11.678 -0.046 5.362 474 2HB PRO 66 2HB PRO 66 -11.784 -1.760 5.710 475 1HG PRO 66 1HG PRO 66 -10.035 0.276 6.947 476 2HG PRO 66 2HG PRO 66 -10.463 -1.314 7.547 477 1HD PRO 66 1HD PRO 66 -7.982 -0.550 6.328 478 2HD PRO 66 2HD PRO 66 -8.454 -2.164 6.822 479 H GLU 67 H GLU 67 -8.143 0.265 4.041 480 HA GLU 67 HA GLU 67 -9.550 2.166 2.382 481 1HB GLU 67 1HB GLU 67 -6.692 2.439 3.365 482 2HB GLU 67 2HB GLU 67 -7.808 3.712 2.912 483 1HG GLU 67 1HG GLU 67 -8.720 1.924 5.135 484 2HG GLU 67 2HG GLU 67 -7.344 2.946 5.502 485 H PHE 68 H PHE 68 -7.116 -0.384 2.250 486 HA PHE 68 HA PHE 68 -6.208 0.484 -0.365 487 1HB PHE 68 1HB PHE 68 -4.426 -0.401 0.931 488 2HB PHE 68 2HB PHE 68 -5.481 -1.494 1.805 489 HD1 PHE 68 HD1 PHE 68 -6.314 -3.576 0.600 490 HD2 PHE 68 HD2 PHE 68 -3.166 -1.159 -0.901 491 HE1 PHE 68 HE1 PHE 68 -5.549 -5.475 -0.851 492 HE2 PHE 68 HE2 PHE 68 -2.400 -3.058 -2.353 493 HZ PHE 68 HZ PHE 68 -3.601 -5.193 -2.311 494 H LEU 69 H LEU 69 -8.139 -2.103 1.216 495 HA LEU 69 HA LEU 69 -8.377 -3.964 -0.679 496 1HB LEU 69 1HB LEU 69 -10.346 -2.754 1.216 497 2HB LEU 69 2HB LEU 69 -10.907 -3.940 0.054 498 HG LEU 69 HG LEU 69 -8.540 -4.551 1.809 499 1HD1 LEU 69 1HD1 LEU 69 -11.448 -4.583 2.603 500 2HD1 LEU 69 2HD1 LEU 69 -10.255 -5.670 3.354 501 3HD1 LEU 69 3HD1 LEU 69 -10.051 -3.906 3.474 502 1HD2 LEU 69 3HD2 LEU 69 -9.295 -5.970 -0.197 503 2HD2 LEU 69 1HD2 LEU 69 -9.002 -6.793 1.353 504 3HD2 LEU 69 2HD2 LEU 69 -10.668 -6.446 0.831 505 H THR 70 H THR 70 -9.889 -0.700 -0.737 506 HA THR 70 HA THR 70 -11.506 -1.050 -2.957 507 HB THR 70 HB THR 70 -11.600 0.911 -1.462 508 HG1 THR 70 HG1 THR 70 -11.932 2.271 -3.245 509 1HG2 THR 70 3HG2 THR 70 -8.900 0.969 -1.390 510 2HG2 THR 70 1HG2 THR 70 -9.136 2.072 -2.767 511 3HG2 THR 70 2HG2 THR 70 -9.858 2.455 -1.185 512 H MET 71 H MET 71 -8.059 0.061 -2.838 513 HA MET 71 HA MET 71 -7.619 0.589 -5.391 514 1HB MET 71 1HB MET 71 -6.073 -0.072 -3.128 515 2HB MET 71 2HB MET 71 -5.558 -1.262 -4.307 516 1HG MET 71 1HG MET 71 -5.743 1.329 -5.612 517 2HG MET 71 2HG MET 71 -4.792 1.499 -4.149 518 1HE MET 71 1HE MET 71 -3.487 2.243 -6.428 519 2HE MET 71 2HE MET 71 -2.212 1.754 -5.287 520 3HE MET 71 3HE MET 71 -2.157 1.196 -6.976 521 H MET 72 H MET 72 -7.649 -2.750 -3.974 522 HA MET 72 HA MET 72 -7.021 -4.030 -6.352 523 1HB MET 72 1HB MET 72 -8.635 -4.965 -3.913 524 2HB MET 72 2HB MET 72 -8.009 -6.049 -5.140 525 1HG MET 72 1HG MET 72 -5.885 -4.280 -4.174 526 2HG MET 72 2HG MET 72 -6.646 -5.105 -2.828 527 1HE MET 72 2HE MET 72 -4.699 -5.199 -5.985 528 2HE MET 72 3HE MET 72 -3.540 -5.531 -4.675 529 3HE MET 72 1HE MET 72 -3.848 -6.761 -5.924 530 H ALA 73 H ALA 73 -10.212 -3.325 -4.779 531 HA ALA 73 HA ALA 73 -11.802 -4.624 -6.640 532 1HB ALA 73 3HB ALA 73 -12.077 -2.757 -4.426 533 2HB ALA 73 1HB ALA 73 -13.211 -2.353 -5.737 534 3HB ALA 73 2HB ALA 73 -13.224 -3.982 -5.020 535 H ARG 74 H ARG 74 -10.472 -1.265 -6.578 536 HA ARG 74 HA ARG 74 -11.421 -1.035 -9.320 537 1HB ARG 74 1HB ARG 74 -10.801 1.136 -7.254 538 2HB ARG 74 2HB ARG 74 -11.195 1.477 -8.928 539 1HG ARG 74 1HG ARG 74 -13.392 1.420 -8.375 540 2HG ARG 74 2HG ARG 74 -13.230 -0.296 -8.055 541 1HD ARG 74 1HD ARG 74 -14.147 0.850 -6.068 542 2HD ARG 74 2HD ARG 74 -12.567 0.190 -5.699 543 HE ARG 74 HE ARG 74 -11.683 2.379 -5.555 544 1HH1 ARG 74 2HH2 ARG 74 -14.961 2.461 -6.830 545 2HH1 ARG 74 1HH2 ARG 74 -15.119 4.178 -6.666 546 1HH2 ARG 74 2HH1 ARG 74 -11.890 4.644 -5.337 547 2HH2 ARG 74 1HH1 ARG 74 -13.360 5.428 -5.811 548 H LYS 75 H LYS 75 -9.279 -2.438 -9.535 549 HA LYS 75 HA LYS 75 -6.802 -1.218 -9.090 550 1HB LYS 75 1HB LYS 75 -7.844 -3.653 -10.287 551 2HB LYS 75 2HB LYS 75 -6.509 -3.018 -11.226 552 1HG LYS 75 1HG LYS 75 -5.152 -2.825 -9.101 553 2HG LYS 75 2HG LYS 75 -6.478 -3.555 -8.218 554 1HD LYS 75 1HD LYS 75 -4.859 -5.300 -8.757 555 2HD LYS 75 2HD LYS 75 -6.315 -5.590 -9.689 556 1HE LYS 75 1HE LYS 75 -4.250 -3.857 -11.002 557 2HE LYS 75 2HE LYS 75 -3.808 -5.539 -10.784 558 1HZ LYS 75 1HZ LYS 75 -6.414 -5.473 -11.701 559 2HZ LYS 75 2HZ LYS 75 -5.557 -4.455 -12.648 560 3HZ LYS 75 3HZ LYS 75 -5.089 -6.012 -12.490 No H/Q in entry = 560 Start of MODEL 6 1 H MET 0 H MET 0 -22.449 -22.912 -5.814 2 HA MET 0 HA MET 0 -25.110 -23.727 -5.510 3 1HB MET 0 1HB MET 0 -22.461 -24.948 -6.276 4 2HB MET 0 2HB MET 0 -23.705 -26.076 -5.774 5 1HG MET 0 1HG MET 0 -25.257 -25.205 -7.485 6 2HG MET 0 2HG MET 0 -24.121 -23.946 -7.927 7 1HE MET 0 1HE MET 0 -25.615 -26.964 -8.625 8 2HE MET 0 2HE MET 0 -24.569 -27.895 -9.724 9 3HE MET 0 3HE MET 0 -24.423 -28.107 -7.963 10 H ALA 1 H ALA 1 -22.402 -23.562 -3.323 11 HA ALA 1 HA ALA 1 -23.924 -24.361 -1.130 12 1HB ALA 1 1HB ALA 1 -23.352 -26.587 -2.516 13 2HB ALA 1 2HB ALA 1 -21.826 -26.444 -1.611 14 3HB ALA 1 3HB ALA 1 -23.372 -26.561 -0.736 15 H ASP 2 H ASP 2 -22.470 -22.109 -1.640 16 HA ASP 2 HA ASP 2 -20.516 -22.295 0.417 17 1HB ASP 2 1HB ASP 2 -19.548 -22.718 -2.125 18 2HB ASP 2 2HB ASP 2 -19.433 -20.971 -2.036 19 H GLN 3 H GLN 3 -19.224 -19.755 -0.178 20 HA GLN 3 HA GLN 3 -21.186 -17.863 -0.911 21 1HB GLN 3 1HB GLN 3 -21.699 -18.636 1.571 22 2HB GLN 3 2HB GLN 3 -20.339 -17.611 1.982 23 1HG GLN 3 1HG GLN 3 -21.526 -15.696 1.620 24 2HG GLN 3 2HG GLN 3 -22.173 -16.281 0.100 25 1HE2 GLN 3 2HE2 GLN 3 -25.182 -17.580 1.372 26 2HE2 GLN 3 1HE2 GLN 3 -24.032 -17.592 0.077 27 H LEU 4 H LEU 4 -20.095 -16.141 -1.784 28 HA LEU 4 HA LEU 4 -17.234 -16.066 -1.383 29 1HB LEU 4 1HB LEU 4 -17.344 -14.341 -3.173 30 2HB LEU 4 2HB LEU 4 -17.926 -15.932 -3.621 31 HG LEU 4 HG LEU 4 -20.112 -14.277 -2.666 32 1HD1 LEU 4 2HD1 LEU 4 -18.179 -12.749 -3.935 33 2HD1 LEU 4 3HD1 LEU 4 -19.334 -13.136 -5.234 34 3HD1 LEU 4 1HD1 LEU 4 -19.901 -12.341 -3.746 35 1HD2 LEU 4 3HD2 LEU 4 -19.452 -16.057 -4.939 36 2HD2 LEU 4 1HD2 LEU 4 -20.911 -15.970 -3.923 37 3HD2 LEU 4 2HD2 LEU 4 -20.680 -14.807 -5.251 38 H THR 5 H THR 5 -16.742 -13.298 -1.725 39 HA THR 5 HA THR 5 -16.333 -11.541 -0.410 40 HB THR 5 HB THR 5 -18.507 -10.479 0.485 41 HG1 THR 5 HG1 THR 5 -19.549 -12.592 0.819 42 1HG2 THR 5 1HG2 THR 5 -18.622 -11.581 -2.373 43 2HG2 THR 5 2HG2 THR 5 -19.562 -10.204 -1.749 44 3HG2 THR 5 3HG2 THR 5 -17.793 -10.079 -1.896 45 H GLU 6 H GLU 6 -16.241 -10.618 1.819 46 HA GLU 6 HA GLU 6 -15.864 -10.799 3.952 47 1HB GLU 6 1HB GLU 6 -17.614 -13.298 3.888 48 2HB GLU 6 2HB GLU 6 -17.095 -12.470 5.342 49 1HG GLU 6 1HG GLU 6 -18.208 -10.349 4.392 50 2HG GLU 6 2HG GLU 6 -18.900 -11.367 3.145 51 H GLU 7 H GLU 7 -15.867 -14.138 2.509 52 HA GLU 7 HA GLU 7 -13.617 -14.852 4.098 53 1HB GLU 7 1HB GLU 7 -15.006 -16.299 1.800 54 2HB GLU 7 2HB GLU 7 -13.751 -17.004 2.799 55 1HG GLU 7 1HG GLU 7 -15.639 -15.926 4.632 56 2HG GLU 7 2HG GLU 7 -16.600 -16.682 3.377 57 H GLN 8 H GLN 8 -14.282 -14.056 0.639 58 HA GLN 8 HA GLN 8 -11.828 -14.661 -0.379 59 1HB GLN 8 1HB GLN 8 -14.179 -13.418 -1.278 60 2HB GLN 8 2HB GLN 8 -12.949 -12.194 -1.523 61 1HG GLN 8 1HG GLN 8 -12.589 -13.327 -3.490 62 2HG GLN 8 2HG GLN 8 -11.594 -14.356 -2.480 63 1HE2 GLN 8 2HE2 GLN 8 -14.159 -16.253 -4.567 64 2HE2 GLN 8 1HE2 GLN 8 -13.079 -14.945 -4.921 65 H ILE 9 H ILE 9 -12.907 -11.795 1.474 66 HA ILE 9 HA ILE 9 -10.725 -10.152 0.937 67 HB ILE 9 HB ILE 9 -13.065 -9.929 2.280 68 1HG1 ILE 9 1HG1 ILE 9 -11.653 -7.723 3.163 69 2HG1 ILE 9 2HG1 ILE 9 -10.707 -8.249 1.784 70 1HG2 ILE 9 2HG2 ILE 9 -10.891 -9.933 4.392 71 2HG2 ILE 9 3HG2 ILE 9 -12.559 -9.354 4.617 72 3HG2 ILE 9 1HG2 ILE 9 -12.253 -11.072 4.266 73 1HD1 ILE 9 2HD1 ILE 9 -13.276 -8.506 0.794 74 2HD1 ILE 9 3HD1 ILE 9 -13.439 -7.098 1.870 75 3HD1 ILE 9 1HD1 ILE 9 -12.238 -7.080 0.557 76 H ALA 10 H ALA 10 -11.288 -12.596 3.549 77 HA ALA 10 HA ALA 10 -9.142 -12.280 5.102 78 1HB ALA 10 1HB ALA 10 -10.989 -14.104 5.053 79 2HB ALA 10 2HB ALA 10 -9.856 -15.022 4.032 80 3HB ALA 10 3HB ALA 10 -9.386 -14.554 5.684 81 H GLU 11 H GLU 11 -9.167 -13.562 1.752 82 HA GLU 11 HA GLU 11 -6.494 -14.401 1.821 83 1HB GLU 11 1HB GLU 11 -8.240 -13.644 -0.564 84 2HB GLU 11 2HB GLU 11 -6.735 -14.537 -0.656 85 1HG GLU 11 1HG GLU 11 -7.668 -16.399 0.615 86 2HG GLU 11 2HG GLU 11 -9.109 -15.483 1.010 87 H PHE 12 H PHE 12 -8.136 -11.441 0.505 88 HA PHE 12 HA PHE 12 -6.012 -10.169 -0.583 89 1HB PHE 12 1HB PHE 12 -8.461 -9.337 1.036 90 2HB PHE 12 2HB PHE 12 -7.349 -8.087 0.514 91 HD1 PHE 12 HD1 PHE 12 -9.657 -10.711 -0.668 92 HD2 PHE 12 HD2 PHE 12 -7.296 -7.355 -1.752 93 HE1 PHE 12 HE1 PHE 12 -10.791 -10.635 -2.906 94 HE2 PHE 12 HE2 PHE 12 -8.430 -7.280 -3.990 95 HZ PHE 12 HZ PHE 12 -10.164 -8.921 -4.540 96 H LYS 13 H LYS 13 -6.739 -10.644 2.875 97 HA LYS 13 HA LYS 13 -5.346 -8.718 4.108 98 1HB LYS 13 1HB LYS 13 -5.450 -11.678 4.742 99 2HB LYS 13 2HB LYS 13 -4.782 -10.482 5.834 100 1HG LYS 13 1HG LYS 13 -7.053 -9.216 5.529 101 2HG LYS 13 2HG LYS 13 -7.648 -10.715 4.843 102 1HD LYS 13 1HD LYS 13 -6.968 -11.928 6.936 103 2HD LYS 13 2HD LYS 13 -6.414 -10.413 7.622 104 1HE LYS 13 1HE LYS 13 -8.863 -9.563 7.075 105 2HE LYS 13 2HE LYS 13 -9.254 -11.269 6.985 106 1HZ LYS 13 1HZ LYS 13 -7.745 -10.337 9.281 107 2HZ LYS 13 2HZ LYS 13 -9.341 -9.997 9.222 108 3HZ LYS 13 3HZ LYS 13 -8.835 -11.549 9.180 109 H GLU 14 H GLU 14 -3.851 -11.815 2.922 110 HA GLU 14 HA GLU 14 -1.285 -11.166 3.525 111 1HB GLU 14 1HB GLU 14 -2.353 -12.786 1.173 112 2HB GLU 14 2HB GLU 14 -0.673 -12.779 1.668 113 1HG GLU 14 1HG GLU 14 -1.829 -13.319 4.079 114 2HG GLU 14 2HG GLU 14 -3.051 -14.004 3.027 115 H ALA 15 H ALA 15 -3.222 -10.303 0.613 116 HA ALA 15 HA ALA 15 -1.258 -9.293 -0.994 117 1HB ALA 15 2HB ALA 15 -3.945 -9.493 -1.118 118 2HB ALA 15 3HB ALA 15 -3.810 -7.752 -0.775 119 3HB ALA 15 1HB ALA 15 -3.010 -8.442 -2.207 120 H PHE 16 H PHE 16 -3.200 -7.457 1.477 121 HA PHE 16 HA PHE 16 -1.914 -5.060 1.223 122 1HB PHE 16 1HB PHE 16 -3.962 -5.677 2.616 123 2HB PHE 16 2HB PHE 16 -2.916 -6.516 3.744 124 HD1 PHE 16 HD2 PHE 16 -3.221 -3.133 2.184 125 HD2 PHE 16 HD1 PHE 16 -2.310 -5.391 5.658 126 HE1 PHE 16 HE2 PHE 16 -2.920 -1.008 3.486 127 HE2 PHE 16 HE1 PHE 16 -2.009 -3.267 6.960 128 HZ PHE 16 HZ PHE 16 -2.318 -1.100 5.859 129 H SER 17 H SER 17 -0.900 -7.999 3.013 130 HA SER 17 HA SER 17 1.062 -6.845 4.543 131 1HB SER 17 1HB SER 17 0.091 -9.297 4.448 132 2HB SER 17 2HB SER 17 1.398 -9.596 3.320 133 HG SER 17 HG SER 17 2.869 -9.461 4.906 134 H LEU 18 H LEU 18 1.269 -8.366 1.248 135 HA LEU 18 HA LEU 18 3.867 -8.259 0.704 136 1HB LEU 18 1HB LEU 18 1.418 -8.144 -0.790 137 2HB LEU 18 2HB LEU 18 2.611 -7.115 -1.558 138 HG LEU 18 HG LEU 18 4.066 -9.403 -1.039 139 1HD1 LEU 18 2HD1 LEU 18 1.218 -10.187 -1.689 140 2HD1 LEU 18 3HD1 LEU 18 2.621 -11.239 -1.992 141 3HD1 LEU 18 1HD1 LEU 18 2.231 -10.732 -0.331 142 1HD2 LEU 18 3HD2 LEU 18 2.564 -8.538 -3.520 143 2HD2 LEU 18 1HD2 LEU 18 4.251 -8.180 -3.077 144 3HD2 LEU 18 2HD2 LEU 18 3.774 -9.843 -3.494 145 H PHE 19 H PHE 19 1.645 -5.398 0.502 146 HA PHE 19 HA PHE 19 3.808 -3.640 -0.069 147 1HB PHE 19 1HB PHE 19 0.865 -3.429 0.759 148 2HB PHE 19 2HB PHE 19 1.833 -1.980 0.576 149 HD1 PHE 19 HD2 PHE 19 2.695 -1.338 -1.647 150 HD2 PHE 19 HD1 PHE 19 0.104 -4.662 -1.154 151 HE1 PHE 19 HE2 PHE 19 2.209 -1.325 -4.110 152 HE2 PHE 19 HE1 PHE 19 -0.382 -4.649 -3.617 153 HZ PHE 19 HZ PHE 19 0.676 -2.981 -5.065 154 H ASP 20 H ASP 20 1.800 -4.413 2.842 155 HA ASP 20 HA ASP 20 3.221 -2.516 4.402 156 1HB ASP 20 1HB ASP 20 0.906 -3.005 4.963 157 2HB ASP 20 2HB ASP 20 1.225 -4.726 5.050 158 H LYS 21 H LYS 21 5.465 -3.226 4.294 159 HA LYS 21 HA LYS 21 6.274 -5.866 4.668 160 1HB LYS 21 1HB LYS 21 7.480 -3.559 3.907 161 2HB LYS 21 2HB LYS 21 8.098 -3.692 5.541 162 1HG LYS 21 1HG LYS 21 8.127 -6.242 3.994 163 2HG LYS 21 2HG LYS 21 9.172 -4.990 3.353 164 1HD LYS 21 1HD LYS 21 9.187 -6.029 6.226 165 2HD LYS 21 2HD LYS 21 10.382 -6.399 4.998 166 1HE LYS 21 1HE LYS 21 10.340 -3.608 4.958 167 2HE LYS 21 2HE LYS 21 10.079 -3.958 6.655 168 1HZ LYS 21 2HZ LYS 21 12.027 -5.663 6.024 169 2HZ LYS 21 3HZ LYS 21 12.404 -4.400 5.060 170 3HZ LYS 21 1HZ LYS 21 12.273 -4.185 6.674 171 H ASP 22 H ASP 22 6.430 -3.101 7.030 172 HA ASP 22 HA ASP 22 7.198 -4.512 9.178 173 1HB ASP 22 1HB ASP 22 5.003 -2.423 9.401 174 2HB ASP 22 2HB ASP 22 6.319 -2.724 10.518 175 H GLY 23 H GLY 23 4.131 -4.597 7.458 176 1HA GLY 23 1HA GLY 23 2.225 -5.748 7.751 177 2HA GLY 23 2HA GLY 23 3.163 -6.874 8.712 178 H ASP 24 H ASP 24 3.176 -3.538 9.798 179 HA ASP 24 HA ASP 24 2.174 -4.203 12.270 180 1HB ASP 24 1HB ASP 24 1.832 -1.639 12.456 181 2HB ASP 24 2HB ASP 24 3.457 -2.215 12.139 182 H GLY 25 H GLY 25 0.639 -3.242 9.213 183 1HA GLY 25 1HA GLY 25 -1.706 -4.024 9.064 184 2HA GLY 25 2HA GLY 25 -1.996 -3.158 10.560 185 H THR 26 H THR 26 0.348 -1.432 8.816 186 HA THR 26 HA THR 26 -1.639 0.076 7.282 187 HB THR 26 HB THR 26 -0.887 2.172 8.314 188 HG1 THR 26 HG1 THR 26 1.040 2.108 9.443 189 1HG2 THR 26 3HG2 THR 26 -2.462 0.508 9.698 190 2HG2 THR 26 1HG2 THR 26 -1.023 0.353 10.733 191 3HG2 THR 26 2HG2 THR 26 -1.774 1.947 10.488 192 H ILE 27 H ILE 27 -0.826 1.185 5.472 193 HA ILE 27 HA ILE 27 1.925 0.389 4.812 194 HB ILE 27 HB ILE 27 -0.497 0.695 3.037 195 1HG1 ILE 27 1HG1 ILE 27 1.201 -1.750 3.608 196 2HG1 ILE 27 2HG1 ILE 27 -0.310 -1.395 4.422 197 1HG2 ILE 27 2HG2 ILE 27 1.542 1.590 1.963 198 2HG2 ILE 27 3HG2 ILE 27 2.347 0.026 2.232 199 3HG2 ILE 27 1HG2 ILE 27 0.925 0.123 1.166 200 1HD1 ILE 27 2HD1 ILE 27 -1.478 -1.337 2.200 201 2HD1 ILE 27 3HD1 ILE 27 0.058 -1.777 1.415 202 3HD1 ILE 27 1HD1 ILE 27 -0.726 -2.914 2.537 203 H THR 28 H THR 28 3.320 2.059 4.854 204 HA THR 28 HA THR 28 2.249 4.756 4.652 205 HB THR 28 HB THR 28 3.827 4.128 6.485 206 HG1 THR 28 HG1 THR 28 4.005 6.290 5.746 207 1HG2 THR 28 2HG2 THR 28 5.534 3.334 4.106 208 2HG2 THR 28 3HG2 THR 28 6.323 4.018 5.547 209 3HG2 THR 28 1HG2 THR 28 5.367 2.523 5.682 210 H THR 29 H THR 29 4.853 5.801 3.639 211 HA THR 29 HA THR 29 4.157 5.595 0.844 212 HB THR 29 HB THR 29 6.143 7.324 0.805 213 HG1 THR 29 HG1 THR 29 7.071 7.410 2.810 214 1HG2 THR 29 1HG2 THR 29 3.428 7.620 2.054 215 2HG2 THR 29 2HG2 THR 29 4.601 8.909 2.415 216 3HG2 THR 29 3HG2 THR 29 4.167 8.548 0.727 217 H LYS 30 H LYS 30 7.129 4.991 2.836 218 HA LYS 30 HA LYS 30 8.628 3.944 0.763 219 1HB LYS 30 1HB LYS 30 9.157 4.596 3.289 220 2HB LYS 30 2HB LYS 30 8.948 2.875 3.539 221 1HG LYS 30 1HG LYS 30 10.737 2.309 2.075 222 2HG LYS 30 2HG LYS 30 10.693 3.862 1.263 223 1HD LYS 30 1HD LYS 30 11.640 4.998 3.197 224 2HD LYS 30 2HD LYS 30 11.441 3.579 4.206 225 1HE LYS 30 1HE LYS 30 13.475 2.802 3.571 226 2HE LYS 30 2HE LYS 30 12.977 2.795 1.891 227 1HZ LYS 30 1HZ LYS 30 13.631 5.365 3.031 228 2HZ LYS 30 2HZ LYS 30 14.878 4.339 2.784 229 3HZ LYS 30 3HZ LYS 30 13.927 4.784 1.534 230 H GLU 31 H GLU 31 6.772 2.114 3.302 231 HA GLU 31 HA GLU 31 7.150 -0.358 2.337 232 1HB GLU 31 1HB GLU 31 4.596 0.805 3.533 233 2HB GLU 31 2HB GLU 31 4.902 -0.911 3.360 234 1HG GLU 31 1HG GLU 31 6.993 -0.644 4.754 235 2HG GLU 31 2HG GLU 31 6.597 1.048 4.980 236 H LEU 32 H LEU 32 5.279 2.240 0.884 237 HA LEU 32 HA LEU 32 3.816 0.453 -0.845 238 1HB LEU 32 1HB LEU 32 3.028 2.683 0.175 239 2HB LEU 32 2HB LEU 32 3.988 3.445 -1.077 240 HG LEU 32 HG LEU 32 2.448 1.558 -2.453 241 1HD1 LEU 32 1HD1 LEU 32 1.017 2.542 -0.050 242 2HD1 LEU 32 2HD1 LEU 32 0.126 2.611 -1.589 243 3HD1 LEU 32 3HD1 LEU 32 0.783 1.062 -1.010 244 1HD2 LEU 32 1HD2 LEU 32 2.552 4.516 -2.175 245 2HD2 LEU 32 2HD2 LEU 32 2.735 3.483 -3.614 246 3HD2 LEU 32 3HD2 LEU 32 1.114 3.823 -2.962 247 H GLY 33 H GLY 33 6.493 2.878 -1.087 248 1HA GLY 33 1HA GLY 33 6.934 2.447 -3.860 249 2HA GLY 33 2HA GLY 33 7.995 3.257 -2.725 250 H THR 34 H THR 34 7.390 0.381 -1.200 251 HA THR 34 HA THR 34 9.939 -0.689 -1.977 252 HB THR 34 HB THR 34 7.880 -1.039 0.155 253 HG1 THR 34 HG1 THR 34 10.027 0.017 0.300 254 1HG2 THR 34 3HG2 THR 34 9.697 -3.322 -0.777 255 2HG2 THR 34 1HG2 THR 34 8.965 -3.234 0.844 256 3HG2 THR 34 2HG2 THR 34 7.927 -3.382 -0.595 257 H VAL 35 H VAL 35 6.638 -2.198 -1.866 258 HA VAL 35 HA VAL 35 7.271 -4.392 -3.367 259 HB VAL 35 HB VAL 35 4.795 -2.829 -2.803 260 1HG1 VAL 35 2HG1 VAL 35 4.928 -5.111 -4.803 261 2HG1 VAL 35 3HG1 VAL 35 3.433 -4.453 -4.097 262 3HG1 VAL 35 1HG1 VAL 35 4.454 -3.428 -5.133 263 1HG2 VAL 35 2HG2 VAL 35 5.785 -4.478 -1.199 264 2HG2 VAL 35 3HG2 VAL 35 4.112 -4.848 -1.680 265 3HG2 VAL 35 1HG2 VAL 35 5.465 -5.760 -2.391 266 H MET 36 H MET 36 6.832 -1.031 -4.370 267 HA MET 36 HA MET 36 6.286 -1.520 -7.048 268 1HB MET 36 1HB MET 36 7.708 0.798 -5.626 269 2HB MET 36 2HB MET 36 7.199 0.871 -7.301 270 1HG MET 36 1HG MET 36 4.945 -0.047 -5.750 271 2HG MET 36 2HG MET 36 5.618 1.348 -4.929 272 1HE MET 36 1HE MET 36 3.233 0.175 -6.797 273 2HE MET 36 2HE MET 36 2.486 1.789 -6.725 274 3HE MET 36 3HE MET 36 2.938 1.087 -8.297 275 H ARG 37 H ARG 37 9.384 -1.102 -5.240 276 HA ARG 37 HA ARG 37 11.041 -0.982 -7.407 277 1HB ARG 37 1HB ARG 37 11.343 -1.897 -4.542 278 2HB ARG 37 2HB ARG 37 12.667 -2.221 -5.643 279 1HG ARG 37 1HG ARG 37 13.277 -0.015 -5.765 280 2HG ARG 37 2HG ARG 37 11.618 0.539 -5.880 281 1HD ARG 37 1HD ARG 37 11.835 -0.457 -3.240 282 2HD ARG 37 2HD ARG 37 13.357 0.365 -3.516 283 HE ARG 37 HE ARG 37 10.708 1.604 -3.345 284 1HH1 ARG 37 2HH2 ARG 37 13.993 1.986 -4.548 285 2HH1 ARG 37 1HH2 ARG 37 13.905 3.715 -4.611 286 1HH2 ARG 37 2HH1 ARG 37 10.592 3.885 -3.428 287 2HH2 ARG 37 1HH1 ARG 37 11.958 4.802 -3.969 288 H SER 38 H SER 38 9.096 -3.609 -6.243 289 HA SER 38 HA SER 38 10.811 -5.636 -7.319 290 1HB SER 38 1HB SER 38 7.955 -6.173 -6.527 291 2HB SER 38 2HB SER 38 9.373 -7.179 -6.306 292 HG SER 38 HG SER 38 10.079 -5.331 -4.776 293 H LEU 39 H LEU 39 8.690 -3.349 -8.587 294 HA LEU 39 HA LEU 39 7.981 -5.130 -10.815 295 1HB LEU 39 1HB LEU 39 6.271 -3.734 -9.146 296 2HB LEU 39 2HB LEU 39 6.399 -2.692 -10.550 297 HG LEU 39 HG LEU 39 6.005 -5.165 -11.706 298 1HD1 LEU 39 3HD1 LEU 39 5.529 -5.859 -9.208 299 2HD1 LEU 39 1HD1 LEU 39 3.941 -5.128 -9.541 300 3HD1 LEU 39 2HD1 LEU 39 4.528 -6.475 -10.545 301 1HD2 LEU 39 1HD2 LEU 39 4.909 -2.767 -11.946 302 2HD2 LEU 39 2HD2 LEU 39 4.108 -4.231 -12.565 303 3HD2 LEU 39 3HD2 LEU 39 3.605 -3.532 -11.007 304 H GLY 40 H GLY 40 10.422 -3.337 -10.075 305 1HA GLY 40 1HA GLY 40 11.909 -2.182 -11.317 306 2HA GLY 40 2HA GLY 40 10.881 -2.398 -12.720 307 H GLN 41 H GLN 41 9.276 -1.052 -9.927 308 HA GLN 41 HA GLN 41 9.272 1.510 -11.292 309 1HB GLN 41 1HB GLN 41 7.367 0.166 -9.354 310 2HB GLN 41 2HB GLN 41 7.292 1.898 -9.611 311 1HG GLN 41 1HG GLN 41 7.458 0.779 -12.216 312 2HG GLN 41 2HG GLN 41 6.354 -0.267 -11.345 313 1HE2 GLN 41 2HE2 GLN 41 3.862 2.202 -10.729 314 2HE2 GLN 41 1HE2 GLN 41 4.626 0.787 -10.087 315 H ASN 42 H ASN 42 8.717 3.358 -9.405 316 HA ASN 42 HA ASN 42 9.821 3.146 -6.948 317 1HB ASN 42 1HB ASN 42 12.022 2.676 -7.848 318 2HB ASN 42 2HB ASN 42 11.868 3.915 -9.078 319 1HD2 ASN 42 2HD2 ASN 42 13.889 5.892 -7.026 320 2HD2 ASN 42 1HD2 ASN 42 13.740 4.940 -8.465 321 HA PRO 43 HA PRO 43 7.976 7.101 -8.388 322 1HB PRO 43 1HB PRO 43 5.670 7.022 -6.923 323 2HB PRO 43 2HB PRO 43 5.771 6.468 -8.582 324 1HG PRO 43 1HG PRO 43 5.617 4.869 -6.101 325 2HG PRO 43 2HG PRO 43 5.293 4.371 -7.750 326 1HD PRO 43 1HD PRO 43 7.643 3.789 -6.211 327 2HD PRO 43 2HD PRO 43 7.368 3.392 -7.896 328 H THR 44 H THR 44 8.712 8.966 -7.593 329 HA THR 44 HA THR 44 10.057 9.094 -5.235 330 HB THR 44 HB THR 44 9.716 11.573 -5.490 331 HG1 THR 44 HG1 THR 44 8.113 12.163 -7.124 332 1HG2 THR 44 2HG2 THR 44 10.942 9.936 -7.357 333 2HG2 THR 44 3HG2 THR 44 9.715 10.749 -8.358 334 3HG2 THR 44 1HG2 THR 44 10.913 11.713 -7.461 335 H GLU 45 H GLU 45 9.573 10.265 -3.188 336 HA GLU 45 HA GLU 45 7.472 9.016 -1.920 337 1HB GLU 45 1HB GLU 45 9.359 11.257 -1.244 338 2HB GLU 45 2HB GLU 45 7.969 11.032 -0.202 339 1HG GLU 45 1HG GLU 45 8.597 8.617 0.093 340 2HG GLU 45 2HG GLU 45 10.004 8.868 -0.922 341 H ALA 46 H ALA 46 7.645 12.042 -3.742 342 HA ALA 46 HA ALA 46 5.341 13.247 -2.649 343 1HB ALA 46 1HB ALA 46 6.827 13.560 -5.285 344 2HB ALA 46 2HB ALA 46 5.480 14.608 -4.779 345 3HB ALA 46 3HB ALA 46 6.982 14.566 -3.825 346 H GLU 47 H GLU 47 5.953 11.074 -5.471 347 HA GLU 47 HA GLU 47 3.385 11.184 -6.475 348 1HB GLU 47 1HB GLU 47 5.262 10.269 -7.753 349 2HB GLU 47 2HB GLU 47 5.479 8.971 -6.596 350 1HG GLU 47 1HG GLU 47 4.185 7.813 -8.115 351 2HG GLU 47 2HG GLU 47 2.877 8.520 -7.188 352 H LEU 48 H LEU 48 4.897 8.559 -4.447 353 HA LEU 48 HA LEU 48 2.719 7.020 -4.035 354 1HB LEU 48 1HB LEU 48 4.825 7.740 -1.991 355 2HB LEU 48 2HB LEU 48 3.767 6.344 -1.927 356 HG LEU 48 HG LEU 48 5.513 6.706 -4.336 357 1HD1 LEU 48 2HD1 LEU 48 6.493 5.695 -1.652 358 2HD1 LEU 48 3HD1 LEU 48 7.356 5.514 -3.198 359 3HD1 LEU 48 1HD1 LEU 48 7.061 7.137 -2.529 360 1HD2 LEU 48 2HD2 LEU 48 4.455 4.315 -2.807 361 2HD2 LEU 48 3HD2 LEU 48 3.937 4.900 -4.406 362 3HD2 LEU 48 1HD2 LEU 48 5.566 4.215 -4.193 363 H GLN 49 H GLN 49 3.701 9.810 -1.919 364 HA GLN 49 HA GLN 49 1.737 9.808 -0.159 365 1HB GLN 49 1HB GLN 49 3.651 11.579 -0.776 366 2HB GLN 49 2HB GLN 49 2.306 12.456 -1.480 367 1HG GLN 49 1HG GLN 49 2.156 13.282 0.676 368 2HG GLN 49 2HG GLN 49 1.141 11.868 0.873 369 1HE2 GLN 49 2HE2 GLN 49 3.037 10.850 3.582 370 2HE2 GLN 49 1HE2 GLN 49 1.503 11.256 2.889 371 H ASP 50 H ASP 50 1.465 10.992 -3.559 372 HA ASP 50 HA ASP 50 -1.111 11.974 -3.300 373 1HB ASP 50 1HB ASP 50 0.833 11.747 -5.320 374 2HB ASP 50 2HB ASP 50 -0.497 10.785 -5.932 375 H MET 51 H MET 51 0.252 8.779 -4.346 376 HA MET 51 HA MET 51 -2.151 7.625 -5.073 377 1HB MET 51 1HB MET 51 0.361 6.323 -3.880 378 2HB MET 51 2HB MET 51 -0.866 5.474 -4.799 379 1HG MET 51 1HG MET 51 -0.319 6.655 -6.831 380 2HG MET 51 2HG MET 51 0.612 7.866 -5.972 381 1HE MET 51 1HE MET 51 1.381 6.177 -8.488 382 2HE MET 51 2HE MET 51 2.563 4.871 -8.231 383 3HE MET 51 3HE MET 51 0.830 4.572 -7.950 384 H ILE 52 H ILE 52 -0.426 7.766 -1.908 385 HA ILE 52 HA ILE 52 -2.187 6.010 -0.586 386 HB ILE 52 HB ILE 52 -0.232 8.099 0.355 387 1HG1 ILE 52 1HG1 ILE 52 -0.164 5.118 -0.039 388 2HG1 ILE 52 2HG1 ILE 52 0.966 6.337 -0.596 389 1HG2 ILE 52 1HG2 ILE 52 -2.365 6.887 1.851 390 2HG2 ILE 52 2HG2 ILE 52 -0.797 6.300 2.456 391 3HG2 ILE 52 3HG2 ILE 52 -1.125 8.048 2.383 392 1HD1 ILE 52 1HD1 ILE 52 1.203 6.756 2.075 393 2HD1 ILE 52 2HD1 ILE 52 0.742 5.037 2.092 394 3HD1 ILE 52 3HD1 ILE 52 2.190 5.561 1.199 395 H ASN 53 H ASN 53 -2.299 9.435 -1.462 396 HA ASN 53 HA ASN 53 -4.476 9.889 0.355 397 1HB ASN 53 1HB ASN 53 -2.978 11.617 -1.666 398 2HB ASN 53 2HB ASN 53 -4.438 12.201 -0.891 399 1HD2 ASN 53 2HD2 ASN 53 -1.341 13.240 0.990 400 2HD2 ASN 53 1HD2 ASN 53 -1.850 13.321 -0.664 401 H GLU 54 H GLU 54 -4.237 8.167 -2.391 402 HA GLU 54 HA GLU 54 -6.471 9.407 -3.759 403 1HB GLU 54 1HB GLU 54 -4.467 7.263 -4.541 404 2HB GLU 54 2HB GLU 54 -5.919 7.534 -5.483 405 1HG GLU 54 1HG GLU 54 -4.723 10.108 -4.955 406 2HG GLU 54 2HG GLU 54 -3.456 9.038 -5.521 407 H VAL 55 H VAL 55 -5.704 6.908 -1.495 408 HA VAL 55 HA VAL 55 -8.317 5.663 -2.012 409 HB VAL 55 HB VAL 55 -6.992 3.772 -0.629 410 1HG1 VAL 55 3HG1 VAL 55 -8.219 3.735 -2.902 411 2HG1 VAL 55 1HG1 VAL 55 -6.606 3.964 -3.618 412 3HG1 VAL 55 2HG1 VAL 55 -6.940 2.530 -2.617 413 1HG2 VAL 55 3HG2 VAL 55 -4.913 5.257 -0.713 414 2HG2 VAL 55 1HG2 VAL 55 -4.717 3.569 -1.244 415 3HG2 VAL 55 2HG2 VAL 55 -4.840 4.873 -2.450 416 H ASP 56 H ASP 56 -5.886 6.806 0.378 417 HA ASP 56 HA ASP 56 -7.514 6.212 2.585 418 1HB ASP 56 1HB ASP 56 -5.080 6.482 2.802 419 2HB ASP 56 2HB ASP 56 -5.168 8.127 2.206 420 H ALA 57 H ALA 57 -9.513 7.257 2.797 421 HA ALA 57 HA ALA 57 -9.742 10.004 1.871 422 1HB ALA 57 2HB ALA 57 -11.409 8.196 1.278 423 2HB ALA 57 3HB ALA 57 -11.869 8.144 2.997 424 3HB ALA 57 1HB ALA 57 -12.120 9.632 2.053 425 H ASP 58 H ASP 58 -8.780 8.365 4.657 426 HA ASP 58 HA ASP 58 -10.145 10.043 6.509 427 1HB ASP 58 1HB ASP 58 -9.417 8.517 8.037 428 2HB ASP 58 2HB ASP 58 -8.907 7.572 6.652 429 H GLY 59 H GLY 59 -6.994 9.813 4.828 430 1HA GLY 59 1HA GLY 59 -5.395 11.381 4.511 431 2HA GLY 59 2HA GLY 59 -6.354 12.538 5.413 432 H ASN 60 H ASN 60 -5.386 9.313 6.659 433 HA ASN 60 HA ASN 60 -4.328 10.521 8.969 434 1HB ASN 60 1HB ASN 60 -3.751 8.170 9.611 435 2HB ASN 60 2HB ASN 60 -5.401 8.285 9.032 436 1HD2 ASN 60 2HD2 ASN 60 -3.855 5.312 7.475 437 2HD2 ASN 60 1HD2 ASN 60 -4.226 5.883 9.068 438 H GLY 61 H GLY 61 -3.117 9.546 5.816 439 1HA GLY 61 1HA GLY 61 -1.011 10.431 5.107 440 2HA GLY 61 2HA GLY 61 -0.357 10.110 6.701 441 H THR 62 H THR 62 -1.773 7.443 6.912 442 HA THR 62 HA THR 62 0.013 5.969 5.093 443 HB THR 62 HB THR 62 -0.366 4.186 7.003 444 HG1 THR 62 HG1 THR 62 -1.568 5.049 8.650 445 1HG2 THR 62 3HG2 THR 62 1.778 5.564 6.692 446 2HG2 THR 62 1HG2 THR 62 1.067 6.772 7.789 447 3HG2 THR 62 2HG2 THR 62 1.414 5.129 8.379 448 H ILE 63 H ILE 63 -0.952 3.489 5.062 449 HA ILE 63 HA ILE 63 -3.743 3.819 4.210 450 HB ILE 63 HB ILE 63 -1.510 2.339 2.821 451 1HG1 ILE 63 1HG1 ILE 63 -2.242 4.991 2.627 452 2HG1 ILE 63 2HG1 ILE 63 -1.349 4.075 1.429 453 1HG2 ILE 63 1HG2 ILE 63 -4.498 2.224 2.441 454 2HG2 ILE 63 2HG2 ILE 63 -3.370 1.889 1.106 455 3HG2 ILE 63 3HG2 ILE 63 -3.327 0.891 2.579 456 1HD1 ILE 63 3HD1 ILE 63 -4.376 3.957 1.445 457 2HD1 ILE 63 1HD1 ILE 63 -3.538 5.342 0.704 458 3HD1 ILE 63 2HD1 ILE 63 -3.253 3.695 0.090 459 H ASP 64 H ASP 64 -5.164 2.141 4.739 460 HA ASP 64 HA ASP 64 -4.003 0.247 6.613 461 1HB ASP 64 1HB ASP 64 -6.916 1.068 6.191 462 2HB ASP 64 2HB ASP 64 -6.346 -0.021 7.440 463 H PHE 65 H PHE 65 -6.083 -1.695 6.611 464 HA PHE 65 HA PHE 65 -5.524 -3.040 4.153 465 1HB PHE 65 1HB PHE 65 -5.638 -4.233 6.318 466 2HB PHE 65 2HB PHE 65 -7.216 -3.555 6.664 467 HD1 PHE 65 HD2 PHE 65 -5.861 -5.278 3.638 468 HD2 PHE 65 HD1 PHE 65 -8.751 -5.273 6.746 469 HE1 PHE 65 HE2 PHE 65 -6.952 -7.299 2.627 470 HE2 PHE 65 HE1 PHE 65 -9.841 -7.295 5.734 471 HZ PHE 65 HZ PHE 65 -8.929 -8.284 3.687 472 HA PRO 66 HA PRO 66 -10.178 -2.231 3.672 473 1HB PRO 66 1HB PRO 66 -11.359 -0.291 5.192 474 2HB PRO 66 2HB PRO 66 -11.411 -1.994 5.602 475 1HG PRO 66 1HG PRO 66 -9.792 0.158 6.823 476 2HG PRO 66 2HG PRO 66 -10.180 -1.424 7.468 477 1HD PRO 66 1HD PRO 66 -7.686 -0.607 6.312 478 2HD PRO 66 2HD PRO 66 -8.113 -2.219 6.851 479 H GLU 67 H GLU 67 -7.901 0.259 4.151 480 HA GLU 67 HA GLU 67 -9.283 1.983 2.316 481 1HB GLU 67 1HB GLU 67 -6.495 2.379 3.468 482 2HB GLU 67 2HB GLU 67 -7.568 3.606 2.825 483 1HG GLU 67 1HG GLU 67 -9.054 3.464 4.693 484 2HG GLU 67 2HG GLU 67 -8.426 1.905 5.192 485 H PHE 68 H PHE 68 -6.862 -0.539 2.299 486 HA PHE 68 HA PHE 68 -5.787 0.336 -0.252 487 1HB PHE 68 1HB PHE 68 -4.074 -0.587 1.087 488 2HB PHE 68 2HB PHE 68 -5.189 -1.612 1.968 489 HD1 PHE 68 HD2 PHE 68 -6.100 -3.684 0.752 490 HD2 PHE 68 HD1 PHE 68 -2.738 -1.482 -0.611 491 HE1 PHE 68 HE2 PHE 68 -5.355 -5.661 -0.604 492 HE2 PHE 68 HE1 PHE 68 -1.993 -3.458 -1.966 493 HZ PHE 68 HZ PHE 68 -3.310 -5.524 -1.947 494 H LEU 69 H LEU 69 -8.008 -2.058 1.171 495 HA LEU 69 HA LEU 69 -8.101 -3.955 -0.778 496 1HB LEU 69 1HB LEU 69 -10.160 -2.789 1.062 497 2HB LEU 69 2HB LEU 69 -10.622 -4.003 -0.115 498 HG LEU 69 HG LEU 69 -8.294 -4.563 1.689 499 1HD1 LEU 69 1HD1 LEU 69 -11.059 -4.115 2.582 500 2HD1 LEU 69 2HD1 LEU 69 -10.374 -5.684 3.069 501 3HD1 LEU 69 3HD1 LEU 69 -9.540 -4.174 3.508 502 1HD2 LEU 69 1HD2 LEU 69 -10.406 -6.218 0.298 503 2HD2 LEU 69 2HD2 LEU 69 -8.648 -6.199 0.021 504 3HD2 LEU 69 3HD2 LEU 69 -9.304 -6.883 1.528 505 H THR 70 H THR 70 -9.383 -0.624 -0.828 506 HA THR 70 HA THR 70 -10.971 -0.949 -3.141 507 HB THR 70 HB THR 70 -11.428 0.925 -1.728 508 HG1 THR 70 HG1 THR 70 -11.478 1.770 -3.821 509 1HG2 THR 70 3HG2 THR 70 -8.422 1.218 -1.725 510 2HG2 THR 70 1HG2 THR 70 -9.399 2.702 -1.616 511 3HG2 THR 70 2HG2 THR 70 -9.574 1.429 -0.384 512 H MET 71 H MET 71 -7.508 -0.234 -2.614 513 HA MET 71 HA MET 71 -6.957 0.638 -5.166 514 1HB MET 71 1HB MET 71 -5.551 -0.092 -2.767 515 2HB MET 71 2HB MET 71 -4.792 -0.999 -4.060 516 1HG MET 71 1HG MET 71 -5.262 1.696 -5.011 517 2HG MET 71 2HG MET 71 -4.491 1.799 -3.440 518 1HE MET 71 3HE MET 71 -2.118 2.269 -3.530 519 2HE MET 71 1HE MET 71 -1.111 2.019 -4.976 520 3HE MET 71 2HE MET 71 -2.578 3.024 -5.075 521 H MET 72 H MET 72 -7.111 -2.688 -3.785 522 HA MET 72 HA MET 72 -6.090 -3.932 -6.071 523 1HB MET 72 1HB MET 72 -7.913 -4.933 -3.813 524 2HB MET 72 2HB MET 72 -7.149 -5.996 -4.978 525 1HG MET 72 1HG MET 72 -5.200 -4.150 -3.768 526 2HG MET 72 2HG MET 72 -6.031 -5.094 -2.549 527 1HE MET 72 1HE MET 72 -3.827 -4.663 -5.235 528 2HE MET 72 2HE MET 72 -2.581 -5.788 -4.643 529 3HE MET 72 3HE MET 72 -3.565 -6.217 -6.062 530 H ALA 73 H ALA 73 -9.414 -3.103 -4.962 531 HA ALA 73 HA ALA 73 -10.758 -4.547 -6.962 532 1HB ALA 73 1HB ALA 73 -11.460 -2.197 -5.176 533 2HB ALA 73 2HB ALA 73 -12.621 -2.884 -6.337 534 3HB ALA 73 3HB ALA 73 -11.970 -3.896 -5.025 535 H ARG 74 H ARG 74 -9.560 -1.145 -6.730 536 HA ARG 74 HA ARG 74 -10.232 -0.895 -9.548 537 1HB ARG 74 1HB ARG 74 -10.117 1.573 -9.165 538 2HB ARG 74 2HB ARG 74 -11.289 0.814 -8.106 539 1HG ARG 74 1HG ARG 74 -10.128 1.384 -6.225 540 2HG ARG 74 2HG ARG 74 -8.601 0.855 -6.902 541 1HD ARG 74 1HD ARG 74 -8.000 2.994 -7.384 542 2HD ARG 74 2HD ARG 74 -9.475 3.259 -8.292 543 HE ARG 74 HE ARG 74 -10.386 3.419 -5.713 544 1HH1 ARG 74 2HH2 ARG 74 -7.656 4.930 -7.340 545 2HH1 ARG 74 1HH2 ARG 74 -7.679 6.344 -6.341 546 1HH2 ARG 74 2HH1 ARG 74 -10.417 5.285 -4.395 547 2HH2 ARG 74 1HH1 ARG 74 -9.260 6.548 -4.654 548 H LYS 75 H LYS 75 -8.077 -2.367 -9.495 549 HA LYS 75 HA LYS 75 -5.628 -1.366 -8.843 550 1HB LYS 75 1HB LYS 75 -6.694 -3.416 -10.662 551 2HB LYS 75 2HB LYS 75 -5.140 -2.779 -11.163 552 1HG LYS 75 1HG LYS 75 -4.031 -3.656 -9.340 553 2HG LYS 75 2HG LYS 75 -5.363 -3.347 -8.244 554 1HD LYS 75 1HD LYS 75 -5.178 -5.746 -8.450 555 2HD LYS 75 2HD LYS 75 -6.620 -5.276 -9.327 556 1HE LYS 75 1HE LYS 75 -3.988 -5.440 -10.817 557 2HE LYS 75 2HE LYS 75 -4.841 -6.923 -10.435 558 1HZ LYS 75 3HZ LYS 75 -6.828 -5.609 -11.415 559 2HZ LYS 75 1HZ LYS 75 -5.663 -4.748 -12.169 560 3HZ LYS 75 2HZ LYS 75 -5.770 -6.360 -12.406 No H/Q in entry = 560 Start of MODEL 7 1 H MET 0 H MET 0 -22.286 -17.598 4.313 2 HA MET 0 HA MET 0 -19.823 -18.218 3.660 3 1HB MET 0 1HB MET 0 -19.827 -19.247 6.108 4 2HB MET 0 2HB MET 0 -20.721 -20.569 5.386 5 1HG MET 0 1HG MET 0 -18.908 -21.256 4.046 6 2HG MET 0 2HG MET 0 -18.176 -19.664 4.030 7 1HE MET 0 1HE MET 0 -16.368 -21.289 4.092 8 2HE MET 0 2HE MET 0 -15.357 -20.745 5.452 9 3HE MET 0 3HE MET 0 -15.981 -22.411 5.419 10 H ALA 1 H ALA 1 -22.329 -17.894 2.443 11 HA ALA 1 HA ALA 1 -22.374 -20.205 0.771 12 1HB ALA 1 2HB ALA 1 -24.658 -19.640 2.688 13 2HB ALA 1 3HB ALA 1 -24.884 -20.556 1.179 14 3HB ALA 1 1HB ALA 1 -23.781 -21.167 2.435 15 H ASP 2 H ASP 2 -25.047 -17.924 1.590 16 HA ASP 2 HA ASP 2 -25.191 -17.126 -1.102 17 1HB ASP 2 1HB ASP 2 -26.505 -16.209 1.480 18 2HB ASP 2 2HB ASP 2 -26.790 -15.339 -0.014 19 H GLN 3 H GLN 3 -23.878 -15.559 -2.047 20 HA GLN 3 HA GLN 3 -22.615 -13.814 -2.318 21 1HB GLN 3 1HB GLN 3 -24.638 -12.735 -1.020 22 2HB GLN 3 2HB GLN 3 -23.504 -12.593 0.309 23 1HG GLN 3 1HG GLN 3 -22.169 -11.032 -0.799 24 2HG GLN 3 2HG GLN 3 -22.555 -11.662 -2.389 25 1HE2 GLN 3 2HE2 GLN 3 -25.128 -9.041 -0.457 26 2HE2 GLN 3 1HE2 GLN 3 -24.033 -10.059 0.417 27 H LEU 4 H LEU 4 -20.415 -13.848 -2.132 28 HA LEU 4 HA LEU 4 -19.089 -15.314 -0.246 29 1HB LEU 4 1HB LEU 4 -17.084 -13.977 -0.972 30 2HB LEU 4 2HB LEU 4 -17.979 -14.812 -2.225 31 HG LEU 4 HG LEU 4 -18.901 -12.059 -1.843 32 1HD1 LEU 4 3HD1 LEU 4 -16.414 -11.940 -1.249 33 2HD1 LEU 4 1HD1 LEU 4 -16.112 -12.330 -2.959 34 3HD1 LEU 4 2HD1 LEU 4 -17.011 -10.856 -2.528 35 1HD2 LEU 4 1HD2 LEU 4 -18.320 -13.966 -4.029 36 2HD2 LEU 4 2HD2 LEU 4 -19.667 -12.821 -3.819 37 3HD2 LEU 4 3HD2 LEU 4 -18.095 -12.244 -4.420 38 H THR 5 H THR 5 -17.209 -14.160 1.181 39 HA THR 5 HA THR 5 -18.199 -11.827 2.564 40 HB THR 5 HB THR 5 -18.860 -12.876 4.542 41 HG1 THR 5 HG1 THR 5 -17.334 -14.280 5.312 42 1HG2 THR 5 1HG2 THR 5 -19.089 -15.203 2.561 43 2HG2 THR 5 2HG2 THR 5 -19.922 -15.106 4.131 44 3HG2 THR 5 3HG2 THR 5 -20.329 -13.956 2.834 45 H GLU 6 H GLU 6 -16.594 -12.154 4.900 46 HA GLU 6 HA GLU 6 -14.300 -11.048 4.134 47 1HB GLU 6 1HB GLU 6 -14.712 -12.957 6.477 48 2HB GLU 6 2HB GLU 6 -13.337 -11.883 6.316 49 1HG GLU 6 1HG GLU 6 -14.956 -9.926 6.179 50 2HG GLU 6 2HG GLU 6 -16.267 -11.043 6.505 51 H GLU 7 H GLU 7 -15.086 -14.537 4.153 52 HA GLU 7 HA GLU 7 -12.755 -15.754 4.054 53 1HB GLU 7 1HB GLU 7 -15.262 -16.148 2.417 54 2HB GLU 7 2HB GLU 7 -13.875 -17.168 2.094 55 1HG GLU 7 1HG GLU 7 -14.168 -17.069 4.944 56 2HG GLU 7 2HG GLU 7 -15.772 -17.325 4.287 57 H GLN 8 H GLN 8 -14.160 -13.780 1.387 58 HA GLN 8 HA GLN 8 -12.108 -14.415 -0.422 59 1HB GLN 8 1HB GLN 8 -14.529 -12.805 -0.370 60 2HB GLN 8 2HB GLN 8 -13.234 -11.891 -1.118 61 1HG GLN 8 1HG GLN 8 -13.798 -13.048 -3.009 62 2HG GLN 8 2HG GLN 8 -12.845 -14.339 -2.305 63 1HE2 GLN 8 2HE2 GLN 8 -15.783 -16.028 -0.896 64 2HE2 GLN 8 1HE2 GLN 8 -14.257 -15.401 -0.368 65 H ILE 9 H ILE 9 -12.763 -11.593 1.756 66 HA ILE 9 HA ILE 9 -10.616 -10.038 0.997 67 HB ILE 9 HB ILE 9 -12.674 -9.851 2.764 68 1HG1 ILE 9 1HG1 ILE 9 -11.276 -7.670 3.458 69 2HG1 ILE 9 2HG1 ILE 9 -10.307 -8.167 2.085 70 1HG2 ILE 9 1HG2 ILE 9 -10.129 -10.062 4.393 71 2HG2 ILE 9 2HG2 ILE 9 -11.656 -9.358 4.978 72 3HG2 ILE 9 3HG2 ILE 9 -11.584 -11.078 4.523 73 1HD1 ILE 9 2HD1 ILE 9 -13.270 -8.241 1.671 74 2HD1 ILE 9 3HD1 ILE 9 -12.536 -6.629 1.845 75 3HD1 ILE 9 1HD1 ILE 9 -11.978 -7.727 0.560 76 H ALA 10 H ALA 10 -10.820 -12.669 3.470 77 HA ALA 10 HA ALA 10 -8.437 -12.524 4.666 78 1HB ALA 10 3HB ALA 10 -10.170 -14.266 5.029 79 2HB ALA 10 1HB ALA 10 -9.686 -15.049 3.505 80 3HB ALA 10 2HB ALA 10 -8.543 -14.969 4.868 81 H GLU 11 H GLU 11 -9.059 -13.545 1.281 82 HA GLU 11 HA GLU 11 -6.447 -14.440 0.832 83 1HB GLU 11 1HB GLU 11 -8.529 -13.427 -1.156 84 2HB GLU 11 2HB GLU 11 -7.095 -14.344 -1.575 85 1HG GLU 11 1HG GLU 11 -7.882 -16.275 -0.261 86 2HG GLU 11 2HG GLU 11 -9.250 -15.358 0.338 87 H PHE 12 H PHE 12 -8.150 -11.307 0.199 88 HA PHE 12 HA PHE 12 -6.099 -10.031 -1.127 89 1HB PHE 12 1HB PHE 12 -8.342 -9.204 0.786 90 2HB PHE 12 2HB PHE 12 -7.296 -7.981 0.093 91 HD1 PHE 12 HD2 PHE 12 -9.708 -10.654 -0.770 92 HD2 PHE 12 HD1 PHE 12 -7.633 -7.203 -2.109 93 HE1 PHE 12 HE2 PHE 12 -11.146 -10.587 -2.826 94 HE2 PHE 12 HE1 PHE 12 -9.071 -7.136 -4.166 95 HZ PHE 12 HZ PHE 12 -10.810 -8.829 -4.499 96 H LYS 13 H LYS 13 -6.555 -10.698 2.345 97 HA LYS 13 HA LYS 13 -5.049 -8.872 3.583 98 1HB LYS 13 1HB LYS 13 -5.080 -11.870 4.024 99 2HB LYS 13 2HB LYS 13 -4.363 -10.728 5.143 100 1HG LYS 13 1HG LYS 13 -6.660 -9.501 5.101 101 2HG LYS 13 2HG LYS 13 -7.286 -10.937 4.315 102 1HD LYS 13 1HD LYS 13 -6.978 -12.289 6.211 103 2HD LYS 13 2HD LYS 13 -5.675 -11.300 6.841 104 1HE LYS 13 1HE LYS 13 -7.125 -9.740 7.807 105 2HE LYS 13 2HE LYS 13 -8.388 -10.012 6.622 106 1HZ LYS 13 1HZ LYS 13 -7.922 -12.366 8.057 107 2HZ LYS 13 2HZ LYS 13 -8.174 -11.145 9.111 108 3HZ LYS 13 3HZ LYS 13 -9.291 -11.480 7.967 109 H GLU 14 H GLU 14 -3.596 -11.941 2.275 110 HA GLU 14 HA GLU 14 -1.021 -11.308 2.639 111 1HB GLU 14 1HB GLU 14 -2.301 -12.782 0.298 112 2HB GLU 14 2HB GLU 14 -0.573 -12.770 0.593 113 1HG GLU 14 1HG GLU 14 -1.418 -13.486 3.081 114 2HG GLU 14 2HG GLU 14 -2.759 -14.120 2.147 115 H ALA 15 H ALA 15 -3.197 -10.160 0.027 116 HA ALA 15 HA ALA 15 -1.292 -9.045 -1.644 117 1HB ALA 15 2HB ALA 15 -4.042 -9.275 -1.557 118 2HB ALA 15 3HB ALA 15 -3.805 -7.523 -1.351 119 3HB ALA 15 1HB ALA 15 -3.129 -8.351 -2.774 120 H PHE 16 H PHE 16 -3.186 -7.482 1.040 121 HA PHE 16 HA PHE 16 -1.934 -5.024 0.877 122 1HB PHE 16 1HB PHE 16 -4.019 -5.708 2.184 123 2HB PHE 16 2HB PHE 16 -3.001 -6.599 3.298 124 HD1 PHE 16 HD1 PHE 16 -3.695 -3.184 2.025 125 HD2 PHE 16 HD2 PHE 16 -2.022 -5.526 5.143 126 HE1 PHE 16 HE1 PHE 16 -3.432 -1.122 3.432 127 HE2 PHE 16 HE2 PHE 16 -1.759 -3.464 6.550 128 HZ PHE 16 HZ PHE 16 -2.467 -1.287 5.678 129 H SER 17 H SER 17 -0.972 -8.049 2.550 130 HA SER 17 HA SER 17 0.938 -6.995 4.200 131 1HB SER 17 1HB SER 17 0.052 -9.390 4.101 132 2HB SER 17 2HB SER 17 1.134 -9.669 2.751 133 HG SER 17 HG SER 17 2.042 -10.313 4.835 134 H LEU 18 H LEU 18 1.272 -8.282 0.816 135 HA LEU 18 HA LEU 18 3.889 -8.099 0.374 136 1HB LEU 18 1HB LEU 18 1.477 -7.850 -1.211 137 2HB LEU 18 2HB LEU 18 2.772 -6.877 -1.880 138 HG LEU 18 HG LEU 18 4.103 -9.208 -1.418 139 1HD1 LEU 18 3HD1 LEU 18 1.461 -9.949 -0.989 140 2HD1 LEU 18 1HD1 LEU 18 1.792 -10.471 -2.658 141 3HD1 LEU 18 2HD1 LEU 18 2.832 -11.032 -1.327 142 1HD2 LEU 18 2HD2 LEU 18 2.601 -8.237 -3.849 143 2HD2 LEU 18 3HD2 LEU 18 4.334 -8.089 -3.471 144 3HD2 LEU 18 1HD2 LEU 18 3.646 -9.678 -3.884 145 H PHE 19 H PHE 19 1.618 -5.270 0.214 146 HA PHE 19 HA PHE 19 3.746 -3.438 -0.173 147 1HB PHE 19 1HB PHE 19 0.786 -3.350 0.614 148 2HB PHE 19 2HB PHE 19 1.721 -1.869 0.556 149 HD1 PHE 19 HD2 PHE 19 2.747 -1.160 -1.629 150 HD2 PHE 19 HD1 PHE 19 -0.044 -4.345 -1.367 151 HE1 PHE 19 HE2 PHE 19 2.309 -0.979 -4.094 152 HE2 PHE 19 HE1 PHE 19 -0.482 -4.165 -3.832 153 HZ PHE 19 HZ PHE 19 0.700 -2.484 -5.166 154 H ASP 20 H ASP 20 1.690 -4.397 2.653 155 HA ASP 20 HA ASP 20 3.080 -2.591 4.346 156 1HB ASP 20 1HB ASP 20 0.777 -3.069 4.877 157 2HB ASP 20 2HB ASP 20 1.035 -4.800 4.784 158 H LYS 21 H LYS 21 5.317 -3.249 4.369 159 HA LYS 21 HA LYS 21 6.085 -5.952 4.620 160 1HB LYS 21 1HB LYS 21 7.323 -3.647 3.869 161 2HB LYS 21 2HB LYS 21 7.971 -3.836 5.486 162 1HG LYS 21 1HG LYS 21 7.955 -6.081 3.416 163 2HG LYS 21 2HG LYS 21 9.308 -4.990 3.639 164 1HD LYS 21 1HD LYS 21 8.333 -6.193 6.172 165 2HD LYS 21 2HD LYS 21 8.920 -7.376 5.020 166 1HE LYS 21 1HE LYS 21 11.098 -6.713 5.265 167 2HE LYS 21 2HE LYS 21 10.685 -5.011 5.205 168 1HZ LYS 21 1HZ LYS 21 9.682 -5.985 7.571 169 2HZ LYS 21 2HZ LYS 21 11.193 -6.592 7.446 170 3HZ LYS 21 3HZ LYS 21 10.953 -4.978 7.373 171 H ASP 22 H ASP 22 6.154 -3.184 6.979 172 HA ASP 22 HA ASP 22 7.004 -4.541 9.131 173 1HB ASP 22 1HB ASP 22 4.711 -2.532 9.229 174 2HB ASP 22 2HB ASP 22 5.890 -2.842 10.488 175 H GLY 23 H GLY 23 3.940 -4.800 7.416 176 1HA GLY 23 1HA GLY 23 2.131 -6.103 7.691 177 2HA GLY 23 2HA GLY 23 3.116 -7.127 8.716 178 H ASP 24 H ASP 24 2.965 -3.801 9.744 179 HA ASP 24 HA ASP 24 1.872 -4.466 12.178 180 1HB ASP 24 1HB ASP 24 1.577 -1.968 12.444 181 2HB ASP 24 2HB ASP 24 3.181 -2.445 11.924 182 H GLY 25 H GLY 25 0.454 -3.444 9.064 183 1HA GLY 25 1HA GLY 25 -1.872 -4.313 8.814 184 2HA GLY 25 2HA GLY 25 -2.238 -3.445 10.291 185 H THR 26 H THR 26 0.124 -1.616 8.765 186 HA THR 26 HA THR 26 -1.834 -0.145 7.137 187 HB THR 26 HB THR 26 -0.958 1.955 8.149 188 HG1 THR 26 HG1 THR 26 1.159 1.265 8.726 189 1HG2 THR 26 3HG2 THR 26 -2.763 0.433 9.405 190 2HG2 THR 26 1HG2 THR 26 -1.426 0.164 10.549 191 3HG2 THR 26 2HG2 THR 26 -2.024 1.814 10.250 192 H ILE 27 H ILE 27 -0.945 1.107 5.402 193 HA ILE 27 HA ILE 27 1.775 0.233 4.715 194 HB ILE 27 HB ILE 27 -0.648 0.553 2.946 195 1HG1 ILE 27 1HG1 ILE 27 1.081 -1.878 3.481 196 2HG1 ILE 27 2HG1 ILE 27 -0.441 -1.555 4.289 197 1HG2 ILE 27 2HG2 ILE 27 1.537 1.459 1.991 198 2HG2 ILE 27 3HG2 ILE 27 2.116 -0.224 2.014 199 3HG2 ILE 27 1HG2 ILE 27 0.690 0.214 1.043 200 1HD1 ILE 27 3HD1 ILE 27 -0.126 -1.749 1.258 201 2HD1 ILE 27 1HD1 ILE 27 -0.681 -3.079 2.303 202 3HD1 ILE 27 2HD1 ILE 27 -1.654 -1.595 2.157 203 H THR 28 H THR 28 3.030 1.978 5.207 204 HA THR 28 HA THR 28 2.019 4.643 4.863 205 HB THR 28 HB THR 28 3.546 3.976 6.726 206 HG1 THR 28 HG1 THR 28 3.663 6.163 5.930 207 1HG2 THR 28 1HG2 THR 28 4.928 2.415 5.018 208 2HG2 THR 28 2HG2 THR 28 5.842 3.921 4.762 209 3HG2 THR 28 3HG2 THR 28 5.739 3.209 6.389 210 H THR 29 H THR 29 4.641 5.726 3.950 211 HA THR 29 HA THR 29 4.066 5.460 1.111 212 HB THR 29 HB THR 29 5.858 7.398 1.156 213 HG1 THR 29 HG1 THR 29 6.662 7.394 3.235 214 1HG2 THR 29 2HG2 THR 29 3.366 7.820 0.974 215 2HG2 THR 29 3HG2 THR 29 3.268 7.766 2.750 216 3HG2 THR 29 1HG2 THR 29 4.203 9.051 1.950 217 H LYS 30 H LYS 30 6.787 4.946 3.424 218 HA LYS 30 HA LYS 30 8.624 4.164 1.466 219 1HB LYS 30 1HB LYS 30 8.500 4.402 4.324 220 2HB LYS 30 2HB LYS 30 9.190 2.842 3.924 221 1HG LYS 30 1HG LYS 30 11.024 3.774 2.799 222 2HG LYS 30 2HG LYS 30 10.158 5.235 2.367 223 1HD LYS 30 1HD LYS 30 10.942 6.307 4.204 224 2HD LYS 30 2HD LYS 30 10.285 5.070 5.257 225 1HE LYS 30 1HE LYS 30 12.371 3.645 4.559 226 2HE LYS 30 2HE LYS 30 13.032 5.150 3.953 227 1HZ LYS 30 2HZ LYS 30 11.937 5.161 6.633 228 2HZ LYS 30 3HZ LYS 30 13.366 4.403 6.409 229 3HZ LYS 30 1HZ LYS 30 13.211 5.984 6.028 230 H GLU 31 H GLU 31 6.150 2.368 3.360 231 HA GLU 31 HA GLU 31 7.013 -0.137 2.412 232 1HB GLU 31 1HB GLU 31 4.381 0.755 3.668 233 2HB GLU 31 2HB GLU 31 4.795 -0.918 3.353 234 1HG GLU 31 1HG GLU 31 6.783 -0.736 4.828 235 2HG GLU 31 2HG GLU 31 6.457 0.965 5.093 236 H LEU 32 H LEU 32 5.216 2.476 1.023 237 HA LEU 32 HA LEU 32 3.810 0.734 -0.830 238 1HB LEU 32 1HB LEU 32 2.811 2.776 0.327 239 2HB LEU 32 2HB LEU 32 3.797 3.745 -0.750 240 HG LEU 32 HG LEU 32 2.524 2.018 -2.497 241 1HD1 LEU 32 1HD1 LEU 32 0.756 2.537 -0.129 242 2HD1 LEU 32 2HD1 LEU 32 0.057 2.455 -1.764 243 3HD1 LEU 32 3HD1 LEU 32 0.951 1.063 -1.107 244 1HD2 LEU 32 3HD2 LEU 32 2.545 4.832 -1.845 245 2HD2 LEU 32 1HD2 LEU 32 2.338 4.028 -3.420 246 3HD2 LEU 32 2HD2 LEU 32 0.925 4.321 -2.377 247 H GLY 33 H GLY 33 6.664 2.816 -0.567 248 1HA GLY 33 1HA GLY 33 7.102 2.777 -3.451 249 2HA GLY 33 2HA GLY 33 8.045 3.618 -2.237 250 H THR 34 H THR 34 7.360 0.454 -1.141 251 HA THR 34 HA THR 34 10.081 -0.366 -1.823 252 HB THR 34 HB THR 34 8.129 -0.786 0.391 253 HG1 THR 34 HG1 THR 34 10.174 0.323 0.609 254 1HG2 THR 34 1HG2 THR 34 9.736 -3.051 -0.828 255 2HG2 THR 34 2HG2 THR 34 9.627 -2.924 0.944 256 3HG2 THR 34 3HG2 THR 34 8.148 -3.112 -0.028 257 H VAL 35 H VAL 35 6.825 -1.967 -1.637 258 HA VAL 35 HA VAL 35 7.449 -4.195 -3.053 259 HB VAL 35 HB VAL 35 4.999 -2.573 -2.604 260 1HG1 VAL 35 1HG1 VAL 35 5.187 -4.775 -4.680 261 2HG1 VAL 35 2HG1 VAL 35 3.658 -4.251 -3.934 262 3HG1 VAL 35 3HG1 VAL 35 4.614 -3.104 -4.903 263 1HG2 VAL 35 3HG2 VAL 35 5.752 -5.475 -2.119 264 2HG2 VAL 35 1HG2 VAL 35 5.714 -4.163 -0.916 265 3HG2 VAL 35 2HG2 VAL 35 4.201 -4.730 -1.663 266 H MET 36 H MET 36 7.194 -0.876 -4.202 267 HA MET 36 HA MET 36 6.766 -1.524 -6.898 268 1HB MET 36 1HB MET 36 7.969 0.924 -5.494 269 2HB MET 36 2HB MET 36 7.613 0.893 -7.209 270 1HG MET 36 1HG MET 36 5.269 -0.050 -5.803 271 2HG MET 36 2HG MET 36 5.806 1.425 -5.024 272 1HE MET 36 3HE MET 36 3.390 0.355 -6.742 273 2HE MET 36 1HE MET 36 2.946 2.068 -6.549 274 3HE MET 36 2HE MET 36 3.025 1.347 -8.174 275 H ARG 37 H ARG 37 9.698 -0.934 -4.885 276 HA ARG 37 HA ARG 37 11.535 -0.765 -6.870 277 1HB ARG 37 1HB ARG 37 11.863 -2.192 -4.181 278 2HB ARG 37 2HB ARG 37 13.178 -1.581 -5.166 279 1HG ARG 37 1HG ARG 37 12.144 0.742 -4.983 280 2HG ARG 37 2HG ARG 37 10.975 0.080 -3.858 281 1HD ARG 37 1HD ARG 37 14.009 0.044 -3.476 282 2HD ARG 37 2HD ARG 37 12.898 1.130 -2.665 283 HE ARG 37 HE ARG 37 11.867 -1.358 -2.050 284 1HH1 ARG 37 2HH2 ARG 37 15.069 0.070 -1.755 285 2HH1 ARG 37 1HH2 ARG 37 15.508 -0.884 -0.378 286 1HH2 ARG 37 2HH1 ARG 37 12.445 -2.618 -0.233 287 2HH2 ARG 37 1HH1 ARG 37 14.006 -2.424 0.493 288 H SER 38 H SER 38 9.601 -3.502 -5.874 289 HA SER 38 HA SER 38 11.370 -5.279 -7.358 290 1HB SER 38 1HB SER 38 9.529 -5.662 -5.022 291 2HB SER 38 2HB SER 38 9.637 -6.992 -6.158 292 HG SER 38 HG SER 38 12.163 -6.231 -5.757 293 H LEU 39 H LEU 39 9.493 -3.325 -8.566 294 HA LEU 39 HA LEU 39 7.965 -5.234 -10.127 295 1HB LEU 39 1HB LEU 39 6.675 -4.049 -8.086 296 2HB LEU 39 2HB LEU 39 6.467 -2.810 -9.309 297 HG LEU 39 HG LEU 39 5.852 -5.500 -10.304 298 1HD1 LEU 39 2HD1 LEU 39 4.239 -4.393 -7.990 299 2HD1 LEU 39 3HD1 LEU 39 3.706 -5.700 -9.075 300 3HD1 LEU 39 1HD1 LEU 39 5.138 -5.929 -8.044 301 1HD2 LEU 39 3HD2 LEU 39 5.357 -3.354 -11.463 302 2HD2 LEU 39 1HD2 LEU 39 3.933 -4.398 -11.241 303 3HD2 LEU 39 2HD2 LEU 39 4.171 -2.983 -10.189 304 H GLY 40 H GLY 40 10.417 -3.372 -10.254 305 1HA GLY 40 1HA GLY 40 11.397 -2.193 -11.905 306 2HA GLY 40 2HA GLY 40 10.002 -2.501 -12.920 307 H GLN 41 H GLN 41 9.405 -1.063 -9.762 308 HA GLN 41 HA GLN 41 9.090 1.513 -11.097 309 1HB GLN 41 1HB GLN 41 7.281 0.073 -9.138 310 2HB GLN 41 2HB GLN 41 7.231 1.821 -9.260 311 1HG GLN 41 1HG GLN 41 6.855 1.587 -11.757 312 2HG GLN 41 2HG GLN 41 6.782 -0.152 -11.549 313 1HE2 GLN 41 2HE2 GLN 41 3.536 -0.305 -10.301 314 2HE2 GLN 41 1HE2 GLN 41 5.018 -1.117 -10.678 315 H ASN 42 H ASN 42 8.857 3.339 -9.244 316 HA ASN 42 HA ASN 42 10.030 2.959 -6.808 317 1HB ASN 42 1HB ASN 42 12.036 2.553 -8.563 318 2HB ASN 42 2HB ASN 42 12.081 4.304 -8.587 319 1HD2 ASN 42 2HD2 ASN 42 14.063 2.411 -5.775 320 2HD2 ASN 42 1HD2 ASN 42 13.636 1.866 -7.363 321 HA PRO 43 HA PRO 43 8.308 7.048 -8.036 322 1HB PRO 43 1HB PRO 43 6.027 7.001 -6.531 323 2HB PRO 43 2HB PRO 43 6.072 6.525 -8.217 324 1HG PRO 43 1HG PRO 43 5.890 4.815 -5.812 325 2HG PRO 43 2HG PRO 43 5.515 4.413 -7.476 326 1HD PRO 43 1HD PRO 43 7.863 3.652 -6.015 327 2HD PRO 43 2HD PRO 43 7.540 3.350 -7.710 328 H THR 44 H THR 44 8.488 9.044 -7.016 329 HA THR 44 HA THR 44 10.038 8.890 -4.633 330 HB THR 44 HB THR 44 9.982 11.388 -4.883 331 HG1 THR 44 HG1 THR 44 8.103 12.050 -5.846 332 1HG2 THR 44 3HG2 THR 44 11.321 9.799 -6.556 333 2HG2 THR 44 1HG2 THR 44 10.080 10.321 -7.721 334 3HG2 THR 44 2HG2 THR 44 11.134 11.527 -6.944 335 H GLU 45 H GLU 45 9.528 10.093 -2.611 336 HA GLU 45 HA GLU 45 7.283 9.044 -1.466 337 1HB GLU 45 1HB GLU 45 9.333 11.065 -0.746 338 2HB GLU 45 2HB GLU 45 7.814 11.264 0.105 339 1HG GLU 45 1HG GLU 45 8.259 8.485 0.187 340 2HG GLU 45 2HG GLU 45 9.860 9.163 0.401 341 H ALA 46 H ALA 46 7.674 11.924 -3.449 342 HA ALA 46 HA ALA 46 5.364 13.285 -2.536 343 1HB ALA 46 3HB ALA 46 7.412 14.189 -3.810 344 2HB ALA 46 1HB ALA 46 6.649 13.520 -5.273 345 3HB ALA 46 2HB ALA 46 5.813 14.775 -4.328 346 H GLU 47 H GLU 47 6.083 11.092 -5.332 347 HA GLU 47 HA GLU 47 3.584 11.222 -6.457 348 1HB GLU 47 1HB GLU 47 5.423 10.239 -7.672 349 2HB GLU 47 2HB GLU 47 5.690 9.027 -6.434 350 1HG GLU 47 1HG GLU 47 4.063 7.653 -7.262 351 2HG GLU 47 2HG GLU 47 2.923 8.970 -7.456 352 H LEU 48 H LEU 48 4.910 8.680 -4.211 353 HA LEU 48 HA LEU 48 2.695 7.151 -3.930 354 1HB LEU 48 1HB LEU 48 4.625 7.940 -1.744 355 2HB LEU 48 2HB LEU 48 3.570 6.541 -1.732 356 HG LEU 48 HG LEU 48 5.532 6.855 -3.980 357 1HD1 LEU 48 1HD1 LEU 48 6.447 7.076 -1.409 358 2HD1 LEU 48 2HD1 LEU 48 6.553 5.321 -1.690 359 3HD1 LEU 48 3HD1 LEU 48 7.383 6.450 -2.788 360 1HD2 LEU 48 2HD2 LEU 48 4.391 4.459 -2.516 361 2HD2 LEU 48 3HD2 LEU 48 3.901 5.063 -4.117 362 3HD2 LEU 48 1HD2 LEU 48 5.534 4.395 -3.879 363 H GLN 49 H GLN 49 3.532 9.983 -1.805 364 HA GLN 49 HA GLN 49 1.401 10.048 -0.245 365 1HB GLN 49 1HB GLN 49 3.421 11.806 -0.843 366 2HB GLN 49 2HB GLN 49 2.040 12.707 -1.438 367 1HG GLN 49 1HG GLN 49 2.044 13.392 0.791 368 2HG GLN 49 2HG GLN 49 0.949 12.028 0.893 369 1HE2 GLN 49 2HE2 GLN 49 2.809 10.548 3.393 370 2HE2 GLN 49 1HE2 GLN 49 1.285 11.028 2.724 371 H ASP 50 H ASP 50 1.515 11.373 -3.618 372 HA ASP 50 HA ASP 50 -1.066 12.338 -3.621 373 1HB ASP 50 1HB ASP 50 1.091 11.948 -5.489 374 2HB ASP 50 2HB ASP 50 -0.359 11.310 -6.237 375 H MET 51 H MET 51 0.374 9.132 -4.461 376 HA MET 51 HA MET 51 -1.974 8.039 -5.501 377 1HB MET 51 1HB MET 51 0.416 6.658 -4.157 378 2HB MET 51 2HB MET 51 -0.727 5.875 -5.230 379 1HG MET 51 1HG MET 51 0.031 7.124 -7.139 380 2HG MET 51 2HG MET 51 0.856 8.308 -6.145 381 1HE MET 51 1HE MET 51 1.053 5.849 -8.398 382 2HE MET 51 2HE MET 51 2.694 5.163 -8.321 383 3HE MET 51 3HE MET 51 1.349 4.351 -7.485 384 H ILE 52 H ILE 52 -0.342 7.572 -2.279 385 HA ILE 52 HA ILE 52 -2.126 5.913 -1.109 386 HB ILE 52 HB ILE 52 -0.366 8.103 -0.106 387 1HG1 ILE 52 1HG1 ILE 52 -0.401 5.121 -0.164 388 2HG1 ILE 52 2HG1 ILE 52 0.908 6.238 -0.494 389 1HG2 ILE 52 2HG2 ILE 52 -2.307 6.544 1.622 390 2HG2 ILE 52 3HG2 ILE 52 -0.946 7.520 2.225 391 3HG2 ILE 52 1HG2 ILE 52 -2.286 8.303 1.353 392 1HD1 ILE 52 1HD1 ILE 52 -0.253 5.656 2.270 393 2HD1 ILE 52 2HD1 ILE 52 1.288 5.030 1.636 394 3HD1 ILE 52 3HD1 ILE 52 1.088 6.775 1.928 395 H ASN 53 H ASN 53 -2.379 9.506 -1.423 396 HA ASN 53 HA ASN 53 -4.569 9.924 0.076 397 1HB ASN 53 1HB ASN 53 -3.387 11.181 -2.368 398 2HB ASN 53 2HB ASN 53 -5.073 11.575 -2.097 399 1HD2 ASN 53 2HD2 ASN 53 -2.607 13.903 -0.333 400 2HD2 ASN 53 1HD2 ASN 53 -2.636 13.204 -1.918 401 H GLU 54 H GLU 54 -4.293 8.570 -3.247 402 HA GLU 54 HA GLU 54 -6.958 8.704 -3.940 403 1HB GLU 54 1HB GLU 54 -4.914 6.591 -4.757 404 2HB GLU 54 2HB GLU 54 -6.395 6.966 -5.615 405 1HG GLU 54 1HG GLU 54 -5.402 9.452 -5.602 406 2HG GLU 54 2HG GLU 54 -3.878 8.621 -5.363 407 H VAL 55 H VAL 55 -5.134 6.384 -1.928 408 HA VAL 55 HA VAL 55 -7.639 4.900 -1.526 409 HB VAL 55 HB VAL 55 -5.748 3.247 -0.569 410 1HG1 VAL 55 2HG1 VAL 55 -7.296 3.500 -3.020 411 2HG1 VAL 55 3HG1 VAL 55 -5.772 2.623 -3.296 412 3HG1 VAL 55 1HG1 VAL 55 -6.915 2.053 -2.056 413 1HG2 VAL 55 3HG2 VAL 55 -3.981 4.947 -1.300 414 2HG2 VAL 55 1HG2 VAL 55 -3.744 3.261 -1.821 415 3HG2 VAL 55 2HG2 VAL 55 -4.370 4.468 -2.970 416 H ASP 56 H ASP 56 -6.952 7.468 -0.275 417 HA ASP 56 HA ASP 56 -7.202 6.553 2.426 418 1HB ASP 56 1HB ASP 56 -4.884 6.819 2.619 419 2HB ASP 56 2HB ASP 56 -4.815 8.054 1.378 420 H ALA 57 H ALA 57 -9.234 7.583 2.637 421 HA ALA 57 HA ALA 57 -9.474 10.324 1.673 422 1HB ALA 57 1HB ALA 57 -11.139 8.269 1.340 423 2HB ALA 57 2HB ALA 57 -11.724 8.789 2.938 424 3HB ALA 57 3HB ALA 57 -11.749 9.925 1.569 425 H ASP 58 H ASP 58 -8.646 8.565 4.491 426 HA ASP 58 HA ASP 58 -9.909 10.270 6.353 427 1HB ASP 58 1HB ASP 58 -9.160 8.720 7.843 428 2HB ASP 58 2HB ASP 58 -8.625 7.809 6.445 429 H GLY 59 H GLY 59 -6.661 9.949 4.807 430 1HA GLY 59 1HA GLY 59 -5.130 11.595 4.410 431 2HA GLY 59 2HA GLY 59 -6.067 12.723 5.371 432 H ASN 60 H ASN 60 -5.107 9.463 6.515 433 HA ASN 60 HA ASN 60 -3.893 10.665 8.779 434 1HB ASN 60 1HB ASN 60 -3.568 8.333 9.540 435 2HB ASN 60 2HB ASN 60 -5.191 8.517 8.903 436 1HD2 ASN 60 2HD2 ASN 60 -3.482 5.403 7.610 437 2HD2 ASN 60 1HD2 ASN 60 -3.693 6.107 9.179 438 H GLY 61 H GLY 61 -2.937 9.621 5.595 439 1HA GLY 61 1HA GLY 61 -0.831 10.153 4.711 440 2HA GLY 61 2HA GLY 61 -0.107 9.986 6.298 441 H THR 62 H THR 62 -1.662 7.440 6.876 442 HA THR 62 HA THR 62 0.040 5.673 5.258 443 HB THR 62 HB THR 62 -1.358 4.879 7.827 444 HG1 THR 62 HG1 THR 62 0.260 6.078 8.944 445 1HG2 THR 62 3HG2 THR 62 0.139 3.263 6.553 446 2HG2 THR 62 1HG2 THR 62 1.480 4.414 6.773 447 3HG2 THR 62 2HG2 THR 62 0.733 3.636 8.189 448 H ILE 63 H ILE 63 -0.922 3.407 4.925 449 HA ILE 63 HA ILE 63 -3.718 3.780 4.100 450 HB ILE 63 HB ILE 63 -1.468 2.245 2.806 451 1HG1 ILE 63 1HG1 ILE 63 -2.071 4.866 2.530 452 2HG1 ILE 63 2HG1 ILE 63 -1.358 3.882 1.267 453 1HG2 ILE 63 3HG2 ILE 63 -4.439 2.159 2.245 454 2HG2 ILE 63 1HG2 ILE 63 -3.198 1.638 1.080 455 3HG2 ILE 63 2HG2 ILE 63 -3.353 0.807 2.646 456 1HD1 ILE 63 3HD1 ILE 63 -4.375 4.116 1.602 457 2HD1 ILE 63 1HD1 ILE 63 -3.434 5.259 0.613 458 3HD1 ILE 63 2HD1 ILE 63 -3.471 3.531 0.184 459 H ASP 64 H ASP 64 -5.213 2.147 4.581 460 HA ASP 64 HA ASP 64 -4.152 0.163 6.434 461 1HB ASP 64 1HB ASP 64 -6.993 1.264 6.206 462 2HB ASP 64 2HB ASP 64 -6.446 0.111 7.406 463 H PHE 65 H PHE 65 -6.298 -1.632 6.521 464 HA PHE 65 HA PHE 65 -6.044 -2.944 4.020 465 1HB PHE 65 1HB PHE 65 -6.316 -3.860 6.464 466 2HB PHE 65 2HB PHE 65 -8.012 -3.444 6.326 467 HD1 PHE 65 HD2 PHE 65 -5.698 -5.004 3.849 468 HD2 PHE 65 HD1 PHE 65 -9.180 -5.439 6.235 469 HE1 PHE 65 HE2 PHE 65 -6.156 -7.226 2.776 470 HE2 PHE 65 HE1 PHE 65 -9.638 -7.661 5.162 471 HZ PHE 65 HZ PHE 65 -8.121 -8.528 3.445 472 HA PRO 66 HA PRO 66 -10.599 -1.642 3.711 473 1HB PRO 66 1HB PRO 66 -11.533 0.359 5.321 474 2HB PRO 66 2HB PRO 66 -11.745 -1.342 5.685 475 1HG PRO 66 1HG PRO 66 -9.882 0.598 6.912 476 2HG PRO 66 2HG PRO 66 -10.409 -0.956 7.525 477 1HD PRO 66 1HD PRO 66 -7.879 -0.358 6.312 478 2HD PRO 66 2HD PRO 66 -8.451 -1.935 6.820 479 H GLU 67 H GLU 67 -7.937 0.348 3.910 480 HA GLU 67 HA GLU 67 -9.232 2.337 2.243 481 1HB GLU 67 1HB GLU 67 -6.374 2.491 3.240 482 2HB GLU 67 2HB GLU 67 -7.444 3.805 2.793 483 1HG GLU 67 1HG GLU 67 -8.369 2.037 5.037 484 2HG GLU 67 2HG GLU 67 -6.996 3.071 5.376 485 H PHE 68 H PHE 68 -6.883 -0.310 2.225 486 HA PHE 68 HA PHE 68 -5.931 0.437 -0.411 487 1HB PHE 68 1HB PHE 68 -4.183 -0.461 0.913 488 2HB PHE 68 2HB PHE 68 -5.277 -1.470 1.838 489 HD1 PHE 68 HD2 PHE 68 -6.197 -3.571 0.724 490 HD2 PHE 68 HD1 PHE 68 -2.945 -1.358 -0.868 491 HE1 PHE 68 HE2 PHE 68 -5.505 -5.565 -0.633 492 HE2 PHE 68 HE1 PHE 68 -2.253 -3.353 -2.226 493 HZ PHE 68 HZ PHE 68 -3.541 -5.432 -2.093 494 H LEU 69 H LEU 69 -8.023 -1.965 1.231 495 HA LEU 69 HA LEU 69 -8.286 -3.913 -0.589 496 1HB LEU 69 1HB LEU 69 -10.182 -2.565 1.270 497 2HB LEU 69 2HB LEU 69 -10.846 -3.690 0.102 498 HG LEU 69 HG LEU 69 -8.583 -4.432 1.965 499 1HD1 LEU 69 2HD1 LEU 69 -11.250 -3.837 2.713 500 2HD1 LEU 69 3HD1 LEU 69 -11.068 -5.607 2.770 501 3HD1 LEU 69 1HD1 LEU 69 -9.959 -4.567 3.697 502 1HD2 LEU 69 1HD2 LEU 69 -9.170 -5.743 -0.201 503 2HD2 LEU 69 2HD2 LEU 69 -8.916 -6.629 1.322 504 3HD2 LEU 69 3HD2 LEU 69 -10.568 -6.322 0.736 505 H THR 70 H THR 70 -9.556 -0.569 -0.837 506 HA THR 70 HA THR 70 -11.173 -0.970 -3.081 507 HB THR 70 HB THR 70 -11.325 1.037 -1.690 508 HG1 THR 70 HG1 THR 70 -11.694 1.285 -4.012 509 1HG2 THR 70 3HG2 THR 70 -8.566 0.973 -1.513 510 2HG2 THR 70 1HG2 THR 70 -8.800 2.230 -2.751 511 3HG2 THR 70 2HG2 THR 70 -9.547 2.412 -1.145 512 H MET 71 H MET 71 -7.677 -0.099 -2.820 513 HA MET 71 HA MET 71 -7.145 0.404 -5.394 514 1HB MET 71 1HB MET 71 -5.706 -0.271 -3.038 515 2HB MET 71 2HB MET 71 -5.142 -1.431 -4.224 516 1HG MET 71 1HG MET 71 -5.281 1.168 -5.497 517 2HG MET 71 2HG MET 71 -4.421 1.345 -3.980 518 1HE MET 71 1HE MET 71 -4.741 0.321 -7.293 519 2HE MET 71 2HE MET 71 -3.049 0.710 -7.685 520 3HE MET 71 3HE MET 71 -3.593 -0.985 -7.670 521 H MET 72 H MET 72 -6.957 -2.907 -3.885 522 HA MET 72 HA MET 72 -6.399 -4.250 -6.197 523 1HB MET 72 1HB MET 72 -8.007 -5.080 -3.719 524 2HB MET 72 2HB MET 72 -7.462 -6.228 -4.926 525 1HG MET 72 1HG MET 72 -5.274 -4.467 -4.022 526 2HG MET 72 2HG MET 72 -5.997 -5.347 -2.690 527 1HE MET 72 1HE MET 72 -3.894 -5.031 -5.382 528 2HE MET 72 2HE MET 72 -2.761 -6.308 -4.879 529 3HE MET 72 3HE MET 72 -3.791 -6.546 -6.311 530 H ALA 73 H ALA 73 -9.554 -3.188 -4.850 531 HA ALA 73 HA ALA 73 -11.138 -4.669 -6.654 532 1HB ALA 73 1HB ALA 73 -11.464 -2.564 -4.598 533 2HB ALA 73 2HB ALA 73 -12.672 -2.515 -5.904 534 3HB ALA 73 3HB ALA 73 -12.465 -3.996 -4.939 535 H ARG 74 H ARG 74 -9.820 -1.301 -6.637 536 HA ARG 74 HA ARG 74 -10.726 -1.116 -9.394 537 1HB ARG 74 1HB ARG 74 -10.516 1.356 -9.104 538 2HB ARG 74 2HB ARG 74 -11.607 0.666 -7.920 539 1HG ARG 74 1HG ARG 74 -10.257 1.234 -6.165 540 2HG ARG 74 2HG ARG 74 -8.807 0.684 -6.981 541 1HD ARG 74 1HD ARG 74 -8.239 2.839 -7.408 542 2HD ARG 74 2HD ARG 74 -9.677 3.019 -8.393 543 HE ARG 74 HE ARG 74 -10.359 3.214 -5.591 544 1HH1 ARG 74 2HH2 ARG 74 -8.870 5.027 -8.214 545 2HH1 ARG 74 1HH2 ARG 74 -9.262 6.573 -7.538 546 1HH2 ARG 74 2HH1 ARG 74 -10.877 5.254 -4.700 547 2HH2 ARG 74 1HH1 ARG 74 -10.411 6.703 -5.526 548 H LYS 75 H LYS 75 -8.597 -2.659 -9.424 549 HA LYS 75 HA LYS 75 -6.084 -1.681 -9.037 550 1HB LYS 75 1HB LYS 75 -7.336 -3.856 -10.492 551 2HB LYS 75 2HB LYS 75 -5.955 -3.239 -11.377 552 1HG LYS 75 1HG LYS 75 -4.530 -3.460 -9.347 553 2HG LYS 75 2HG LYS 75 -5.909 -4.025 -8.425 554 1HD LYS 75 1HD LYS 75 -4.710 -5.999 -9.089 555 2HD LYS 75 2HD LYS 75 -6.138 -5.943 -10.102 556 1HE LYS 75 1HE LYS 75 -4.623 -6.251 -11.805 557 2HE LYS 75 2HE LYS 75 -4.430 -4.514 -11.682 558 1HZ LYS 75 1HZ LYS 75 -2.825 -5.826 -9.783 559 2HZ LYS 75 2HZ LYS 75 -2.506 -6.400 -11.278 560 3HZ LYS 75 3HZ LYS 75 -2.378 -4.801 -10.973 No H/Q in entry = 560 Start of MODEL 8 1 H MET 0 H MET 0 -23.748 -27.283 -3.751 2 HA MET 0 HA MET 0 -23.414 -25.237 -3.024 3 1HB MET 0 1HB MET 0 -23.204 -24.765 -0.528 4 2HB MET 0 2HB MET 0 -24.661 -25.645 -0.946 5 1HG MET 0 1HG MET 0 -22.456 -27.507 -0.444 6 2HG MET 0 2HG MET 0 -22.667 -26.429 0.921 7 1HE MET 0 3HE MET 0 -23.733 -27.456 2.744 8 2HE MET 0 1HE MET 0 -24.914 -28.785 2.683 9 3HE MET 0 2HE MET 0 -23.266 -29.030 2.057 10 H ALA 1 H ALA 1 -21.533 -23.909 -2.839 11 HA ALA 1 HA ALA 1 -19.190 -24.583 -1.582 12 1HB ALA 1 2HB ALA 1 -19.562 -25.898 -4.242 13 2HB ALA 1 3HB ALA 1 -17.972 -25.169 -3.913 14 3HB ALA 1 1HB ALA 1 -18.617 -26.424 -2.828 15 H ASP 2 H ASP 2 -19.227 -22.344 -1.196 16 HA ASP 2 HA ASP 2 -17.886 -20.793 -3.015 17 1HB ASP 2 1HB ASP 2 -20.529 -21.028 -3.826 18 2HB ASP 2 2HB ASP 2 -20.600 -19.577 -2.847 19 H GLN 3 H GLN 3 -16.851 -19.462 -1.521 20 HA GLN 3 HA GLN 3 -18.499 -18.462 0.668 21 1HB GLN 3 1HB GLN 3 -15.552 -19.233 0.828 22 2HB GLN 3 2HB GLN 3 -16.523 -18.612 2.148 23 1HG GLN 3 1HG GLN 3 -17.966 -20.833 1.051 24 2HG GLN 3 2HG GLN 3 -16.296 -21.345 1.190 25 1HE2 GLN 3 2HE2 GLN 3 -17.017 -22.254 4.476 26 2HE2 GLN 3 1HE2 GLN 3 -16.628 -22.737 2.859 27 H LEU 4 H LEU 4 -18.921 -16.489 -0.482 28 HA LEU 4 HA LEU 4 -16.578 -14.928 -1.230 29 1HB LEU 4 1HB LEU 4 -18.269 -13.418 -2.246 30 2HB LEU 4 2HB LEU 4 -18.199 -15.031 -2.928 31 HG LEU 4 HG LEU 4 -20.176 -14.926 -0.813 32 1HD1 LEU 4 2HD1 LEU 4 -19.988 -12.466 -1.973 33 2HD1 LEU 4 3HD1 LEU 4 -21.183 -13.262 -3.025 34 3HD1 LEU 4 1HD1 LEU 4 -21.472 -13.154 -1.272 35 1HD2 LEU 4 3HD2 LEU 4 -19.748 -16.334 -3.119 36 2HD2 LEU 4 1HD2 LEU 4 -21.263 -16.324 -2.185 37 3HD2 LEU 4 2HD2 LEU 4 -21.079 -15.251 -3.593 38 H THR 5 H THR 5 -17.664 -12.330 -0.842 39 HA THR 5 HA THR 5 -17.857 -10.736 0.697 40 HB THR 5 HB THR 5 -19.482 -11.088 2.339 41 HG1 THR 5 HG1 THR 5 -18.357 -13.784 2.600 42 1HG2 THR 5 2HG2 THR 5 -20.009 -12.585 0.129 43 2HG2 THR 5 3HG2 THR 5 -19.865 -13.897 1.324 44 3HG2 THR 5 1HG2 THR 5 -21.071 -12.608 1.557 45 H GLU 6 H GLU 6 -17.536 -11.191 3.672 46 HA GLU 6 HA GLU 6 -15.075 -10.416 4.045 47 1HB GLU 6 1HB GLU 6 -16.767 -12.317 5.675 48 2HB GLU 6 2HB GLU 6 -15.154 -11.918 6.231 49 1HG GLU 6 1HG GLU 6 -15.936 -9.410 5.757 50 2HG GLU 6 2HG GLU 6 -17.544 -10.095 5.882 51 H GLU 7 H GLU 7 -15.940 -13.954 4.010 52 HA GLU 7 HA GLU 7 -13.592 -15.082 4.355 53 1HB GLU 7 1HB GLU 7 -15.628 -15.809 2.206 54 2HB GLU 7 2HB GLU 7 -14.333 -16.873 2.718 55 1HG GLU 7 1HG GLU 7 -15.893 -15.767 4.983 56 2HG GLU 7 2HG GLU 7 -16.865 -16.723 3.882 57 H GLN 8 H GLN 8 -14.671 -13.500 1.297 58 HA GLN 8 HA GLN 8 -12.441 -14.244 -0.184 59 1HB GLN 8 1HB GLN 8 -14.815 -13.011 -0.737 60 2HB GLN 8 2HB GLN 8 -13.745 -11.625 -0.799 61 1HG GLN 8 1HG GLN 8 -13.523 -14.194 -2.428 62 2HG GLN 8 2HG GLN 8 -13.861 -12.585 -3.034 63 1HE2 GLN 8 2HE2 GLN 8 -10.071 -13.926 -2.484 64 2HE2 GLN 8 1HE2 GLN 8 -11.498 -14.875 -2.233 65 H ILE 9 H ILE 9 -13.228 -11.153 1.563 66 HA ILE 9 HA ILE 9 -10.956 -9.763 0.994 67 HB ILE 9 HB ILE 9 -13.158 -9.384 2.523 68 1HG1 ILE 9 1HG1 ILE 9 -11.726 -7.238 3.270 69 2HG1 ILE 9 2HG1 ILE 9 -10.651 -7.849 2.028 70 1HG2 ILE 9 1HG2 ILE 9 -10.823 -9.607 4.441 71 2HG2 ILE 9 2HG2 ILE 9 -12.383 -8.834 4.813 72 3HG2 ILE 9 3HG2 ILE 9 -12.317 -10.574 4.446 73 1HD1 ILE 9 1HD1 ILE 9 -13.636 -7.517 1.536 74 2HD1 ILE 9 2HD1 ILE 9 -12.473 -6.198 1.259 75 3HD1 ILE 9 3HD1 ILE 9 -12.340 -7.711 0.331 76 H ALA 10 H ALA 10 -11.474 -12.172 3.648 77 HA ALA 10 HA ALA 10 -9.190 -12.017 5.016 78 1HB ALA 10 1HB ALA 10 -11.119 -13.683 5.214 79 2HB ALA 10 2HB ALA 10 -10.275 -14.662 3.990 80 3HB ALA 10 3HB ALA 10 -9.494 -14.327 5.554 81 H GLU 11 H GLU 11 -9.582 -13.277 1.682 82 HA GLU 11 HA GLU 11 -6.991 -14.319 1.523 83 1HB GLU 11 1HB GLU 11 -8.904 -13.397 -0.668 84 2HB GLU 11 2HB GLU 11 -7.441 -14.318 -0.956 85 1HG GLU 11 1HG GLU 11 -8.307 -16.165 0.482 86 2HG GLU 11 2HG GLU 11 -9.760 -15.240 0.808 87 H PHE 12 H PHE 12 -8.472 -11.223 0.323 88 HA PHE 12 HA PHE 12 -6.288 -10.128 -0.863 89 1HB PHE 12 1HB PHE 12 -8.561 -9.030 0.874 90 2HB PHE 12 2HB PHE 12 -7.427 -7.933 0.113 91 HD1 PHE 12 HD1 PHE 12 -7.088 -9.550 -2.474 92 HD2 PHE 12 HD2 PHE 12 -10.514 -8.340 -0.282 93 HE1 PHE 12 HE1 PHE 12 -8.453 -9.600 -4.580 94 HE2 PHE 12 HE2 PHE 12 -11.879 -8.390 -2.387 95 HZ PHE 12 HZ PHE 12 -10.833 -9.019 -4.511 96 H LYS 13 H LYS 13 -6.901 -10.610 2.597 97 HA LYS 13 HA LYS 13 -5.410 -8.759 3.824 98 1HB LYS 13 1HB LYS 13 -5.540 -11.735 4.381 99 2HB LYS 13 2HB LYS 13 -4.825 -10.573 5.481 100 1HG LYS 13 1HG LYS 13 -7.090 -9.279 5.285 101 2HG LYS 13 2HG LYS 13 -7.724 -10.750 4.574 102 1HD LYS 13 1HD LYS 13 -7.912 -11.732 6.611 103 2HD LYS 13 2HD LYS 13 -6.224 -11.427 6.970 104 1HE LYS 13 1HE LYS 13 -7.966 -9.012 7.116 105 2HE LYS 13 2HE LYS 13 -8.349 -10.251 8.295 106 1HZ LYS 13 2HZ LYS 13 -5.556 -9.578 7.932 107 2HZ LYS 13 3HZ LYS 13 -6.494 -8.494 8.715 108 3HZ LYS 13 1HZ LYS 13 -6.352 -10.016 9.290 109 H GLU 14 H GLU 14 -4.018 -11.874 2.557 110 HA GLU 14 HA GLU 14 -1.425 -11.295 3.049 111 1HB GLU 14 1HB GLU 14 -2.655 -12.829 0.721 112 2HB GLU 14 2HB GLU 14 -0.939 -12.842 1.076 113 1HG GLU 14 1HG GLU 14 -1.906 -13.440 3.560 114 2HG GLU 14 2HG GLU 14 -3.203 -14.103 2.585 115 H ALA 15 H ALA 15 -3.471 -10.240 0.288 116 HA ALA 15 HA ALA 15 -1.530 -9.237 -1.374 117 1HB ALA 15 3HB ALA 15 -4.151 -9.431 -1.550 118 2HB ALA 15 1HB ALA 15 -4.123 -7.765 -0.924 119 3HB ALA 15 2HB ALA 15 -3.294 -8.156 -2.450 120 H PHE 16 H PHE 16 -3.328 -7.481 1.256 121 HA PHE 16 HA PHE 16 -2.007 -5.091 1.030 122 1HB PHE 16 1HB PHE 16 -4.028 -5.778 2.471 123 2HB PHE 16 2HB PHE 16 -2.918 -6.582 3.564 124 HD1 PHE 16 HD1 PHE 16 -3.856 -3.273 2.194 125 HD2 PHE 16 HD2 PHE 16 -1.780 -5.373 5.241 126 HE1 PHE 16 HE1 PHE 16 -3.559 -1.130 3.467 127 HE2 PHE 16 HE2 PHE 16 -1.483 -3.230 6.515 128 HZ PHE 16 HZ PHE 16 -2.376 -1.135 5.613 129 H SER 17 H SER 17 -0.961 -8.142 2.561 130 HA SER 17 HA SER 17 1.031 -7.134 4.152 131 1HB SER 17 1HB SER 17 1.269 -9.755 2.632 132 2HB SER 17 2HB SER 17 1.888 -9.376 4.227 133 HG SER 17 HG SER 17 0.042 -10.535 4.642 134 H LEU 18 H LEU 18 1.162 -8.298 0.712 135 HA LEU 18 HA LEU 18 3.757 -8.115 0.134 136 1HB LEU 18 1HB LEU 18 1.263 -7.816 -1.305 137 2HB LEU 18 2HB LEU 18 2.517 -6.817 -2.013 138 HG LEU 18 HG LEU 18 3.873 -9.161 -1.702 139 1HD1 LEU 18 3HD1 LEU 18 1.217 -9.898 -1.208 140 2HD1 LEU 18 1HD1 LEU 18 1.547 -10.420 -2.878 141 3HD1 LEU 18 2HD1 LEU 18 2.596 -10.971 -1.549 142 1HD2 LEU 18 2HD2 LEU 18 2.553 -7.726 -3.890 143 2HD2 LEU 18 3HD2 LEU 18 4.184 -8.433 -3.791 144 3HD2 LEU 18 1HD2 LEU 18 2.793 -9.460 -4.213 145 H PHE 19 H PHE 19 1.511 -5.257 -0.015 146 HA PHE 19 HA PHE 19 3.622 -3.435 -0.385 147 1HB PHE 19 1HB PHE 19 0.707 -3.327 0.564 148 2HB PHE 19 2HB PHE 19 1.654 -1.859 0.432 149 HD1 PHE 19 HD1 PHE 19 0.085 -4.590 -1.451 150 HD2 PHE 19 HD2 PHE 19 2.206 -0.924 -1.720 151 HE1 PHE 19 HE1 PHE 19 -0.504 -4.427 -3.885 152 HE2 PHE 19 HE2 PHE 19 1.616 -0.761 -4.154 153 HZ PHE 19 HZ PHE 19 0.268 -2.515 -5.208 154 H ASP 20 H ASP 20 1.704 -4.458 2.512 155 HA ASP 20 HA ASP 20 3.143 -2.675 4.180 156 1HB ASP 20 1HB ASP 20 0.911 -3.191 4.863 157 2HB ASP 20 2HB ASP 20 1.139 -4.911 4.618 158 H LYS 21 H LYS 21 5.389 -3.250 4.146 159 HA LYS 21 HA LYS 21 6.090 -6.031 4.563 160 1HB LYS 21 1HB LYS 21 8.391 -5.243 4.166 161 2HB LYS 21 2HB LYS 21 7.303 -4.823 2.859 162 1HG LYS 21 1HG LYS 21 7.382 -2.548 3.324 163 2HG LYS 21 2HG LYS 21 7.567 -2.793 5.050 164 1HD LYS 21 1HD LYS 21 9.932 -3.867 4.163 165 2HD LYS 21 2HD LYS 21 9.658 -2.670 2.914 166 1HE LYS 21 1HE LYS 21 9.074 -1.165 5.130 167 2HE LYS 21 2HE LYS 21 10.234 -2.279 5.827 168 1HZ LYS 21 3HZ LYS 21 11.631 -1.702 3.813 169 2HZ LYS 21 1HZ LYS 21 10.631 -0.428 3.601 170 3HZ LYS 21 2HZ LYS 21 11.497 -0.567 4.979 171 H ASP 22 H ASP 22 4.828 -3.869 6.562 172 HA ASP 22 HA ASP 22 6.837 -4.239 8.629 173 1HB ASP 22 1HB ASP 22 4.407 -2.402 8.429 174 2HB ASP 22 2HB ASP 22 5.371 -2.550 9.885 175 H GLY 23 H GLY 23 3.749 -5.291 7.408 176 1HA GLY 23 1HA GLY 23 2.177 -6.705 8.166 177 2HA GLY 23 2HA GLY 23 3.400 -7.342 9.248 178 H ASP 24 H ASP 24 2.835 -3.925 9.607 179 HA ASP 24 HA ASP 24 1.885 -4.339 12.222 180 1HB ASP 24 1HB ASP 24 1.682 -1.817 12.224 181 2HB ASP 24 2HB ASP 24 3.267 -2.406 11.762 182 H GLY 25 H GLY 25 0.508 -3.399 9.034 183 1HA GLY 25 1HA GLY 25 -1.825 -4.208 8.754 184 2HA GLY 25 2HA GLY 25 -2.192 -3.365 10.246 185 H THR 26 H THR 26 0.220 -1.579 8.692 186 HA THR 26 HA THR 26 -1.717 -0.038 7.112 187 HB THR 26 HB THR 26 -0.585 2.029 8.147 188 HG1 THR 26 HG1 THR 26 1.055 1.486 9.529 189 1HG2 THR 26 1HG2 THR 26 -2.816 1.033 9.023 190 2HG2 THR 26 2HG2 THR 26 -1.837 0.227 10.271 191 3HG2 THR 26 3HG2 THR 26 -1.882 2.004 10.186 192 H ILE 27 H ILE 27 -0.885 1.044 5.305 193 HA ILE 27 HA ILE 27 1.860 0.220 4.654 194 HB ILE 27 HB ILE 27 -0.556 0.541 2.873 195 1HG1 ILE 27 1HG1 ILE 27 1.128 -1.909 3.466 196 2HG1 ILE 27 2HG1 ILE 27 -0.399 -1.549 4.247 197 1HG2 ILE 27 1HG2 ILE 27 1.721 1.369 1.968 198 2HG2 ILE 27 2HG2 ILE 27 2.155 -0.357 1.925 199 3HG2 ILE 27 3HG2 ILE 27 0.764 0.234 0.985 200 1HD1 ILE 27 3HD1 ILE 27 -0.151 -1.656 1.216 201 2HD1 ILE 27 1HD1 ILE 27 -0.487 -3.107 2.192 202 3HD1 ILE 27 2HD1 ILE 27 -1.631 -1.744 2.202 203 H THR 28 H THR 28 3.111 1.972 5.142 204 HA THR 28 HA THR 28 2.106 4.633 4.772 205 HB THR 28 HB THR 28 3.647 3.948 6.632 206 HG1 THR 28 HG1 THR 28 4.187 6.067 6.298 207 1HG2 THR 28 1HG2 THR 28 5.688 3.685 4.360 208 2HG2 THR 28 2HG2 THR 28 6.055 3.624 6.101 209 3HG2 THR 28 3HG2 THR 28 5.088 2.332 5.349 210 H THR 29 H THR 29 4.718 5.714 3.840 211 HA THR 29 HA THR 29 4.130 5.441 1.009 212 HB THR 29 HB THR 29 5.950 7.349 1.032 213 HG1 THR 29 HG1 THR 29 6.332 8.094 3.183 214 1HG2 THR 29 1HG2 THR 29 3.235 7.538 2.414 215 2HG2 THR 29 2HG2 THR 29 4.283 8.963 2.221 216 3HG2 THR 29 3HG2 THR 29 3.676 8.103 0.785 217 H LYS 30 H LYS 30 6.866 4.887 3.295 218 HA LYS 30 HA LYS 30 8.687 4.089 1.344 219 1HB LYS 30 1HB LYS 30 8.499 4.159 4.240 220 2HB LYS 30 2HB LYS 30 9.290 2.689 3.706 221 1HG LYS 30 1HG LYS 30 11.031 3.857 2.607 222 2HG LYS 30 2HG LYS 30 10.085 5.323 2.444 223 1HD LYS 30 1HD LYS 30 10.807 6.119 4.448 224 2HD LYS 30 2HD LYS 30 10.389 4.628 5.269 225 1HE LYS 30 1HE LYS 30 12.517 3.677 4.935 226 2HE LYS 30 2HE LYS 30 12.845 4.642 3.509 227 1HZ LYS 30 3HZ LYS 30 12.746 6.572 5.185 228 2HZ LYS 30 1HZ LYS 30 13.029 5.418 6.306 229 3HZ LYS 30 2HZ LYS 30 14.098 5.659 5.095 230 H GLU 31 H GLU 31 6.333 2.197 3.340 231 HA GLU 31 HA GLU 31 7.094 -0.262 2.311 232 1HB GLU 31 1HB GLU 31 4.442 0.674 3.490 233 2HB GLU 31 2HB GLU 31 4.820 -1.005 3.161 234 1HG GLU 31 1HG GLU 31 6.706 -0.957 4.727 235 2HG GLU 31 2HG GLU 31 6.547 0.775 4.942 236 H LEU 32 H LEU 32 5.132 2.354 1.008 237 HA LEU 32 HA LEU 32 3.857 0.655 -0.944 238 1HB LEU 32 1HB LEU 32 2.911 2.750 0.237 239 2HB LEU 32 2HB LEU 32 3.861 3.659 -0.923 240 HG LEU 32 HG LEU 32 2.495 1.837 -2.516 241 1HD1 LEU 32 3HD1 LEU 32 1.079 2.040 -0.037 242 2HD1 LEU 32 1HD1 LEU 32 0.126 2.831 -1.316 243 3HD1 LEU 32 2HD1 LEU 32 0.647 1.140 -1.511 244 1HD2 LEU 32 3HD2 LEU 32 2.602 4.694 -2.056 245 2HD2 LEU 32 1HD2 LEU 32 2.353 3.788 -3.568 246 3HD2 LEU 32 2HD2 LEU 32 0.964 4.179 -2.526 247 H GLY 33 H GLY 33 6.594 2.954 -0.690 248 1HA GLY 33 1HA GLY 33 7.125 2.900 -3.524 249 2HA GLY 33 2HA GLY 33 8.082 3.654 -2.264 250 H THR 34 H THR 34 7.298 0.459 -1.332 251 HA THR 34 HA THR 34 10.007 -0.398 -2.004 252 HB THR 34 HB THR 34 8.032 -0.829 0.152 253 HG1 THR 34 HG1 THR 34 10.851 -1.542 -0.217 254 1HG2 THR 34 2HG2 THR 34 9.316 -3.180 -1.259 255 2HG2 THR 34 3HG2 THR 34 9.288 -3.171 0.521 256 3HG2 THR 34 1HG2 THR 34 7.763 -3.105 -0.393 257 H VAL 35 H VAL 35 6.782 -2.059 -1.926 258 HA VAL 35 HA VAL 35 7.438 -4.123 -3.560 259 HB VAL 35 HB VAL 35 4.926 -2.623 -2.964 260 1HG1 VAL 35 1HG1 VAL 35 5.137 -4.848 -5.020 261 2HG1 VAL 35 2HG1 VAL 35 3.618 -4.246 -4.315 262 3HG1 VAL 35 3HG1 VAL 35 4.625 -3.168 -5.311 263 1HG2 VAL 35 1HG2 VAL 35 5.836 -4.237 -1.345 264 2HG2 VAL 35 2HG2 VAL 35 4.262 -4.769 -1.983 265 3HG2 VAL 35 3HG2 VAL 35 5.762 -5.518 -2.579 266 H MET 36 H MET 36 7.037 -0.725 -4.386 267 HA MET 36 HA MET 36 6.420 -0.989 -7.057 268 1HB MET 36 1HB MET 36 8.058 1.085 -5.504 269 2HB MET 36 2HB MET 36 7.610 1.317 -7.182 270 1HG MET 36 1HG MET 36 5.272 0.519 -5.608 271 2HG MET 36 2HG MET 36 6.038 1.923 -4.892 272 1HE MET 36 3HE MET 36 3.287 1.065 -6.793 273 2HE MET 36 1HE MET 36 3.304 1.877 -8.377 274 3HE MET 36 2HE MET 36 4.317 0.439 -8.104 275 H ARG 37 H ARG 37 9.609 -0.971 -5.360 276 HA ARG 37 HA ARG 37 11.029 -1.103 -7.797 277 1HB ARG 37 1HB ARG 37 12.987 -1.117 -6.440 278 2HB ARG 37 2HB ARG 37 11.836 -0.203 -5.486 279 1HG ARG 37 1HG ARG 37 11.334 -2.851 -4.711 280 2HG ARG 37 2HG ARG 37 13.073 -2.827 -4.924 281 1HD ARG 37 1HD ARG 37 13.411 -1.266 -3.212 282 2HD ARG 37 2HD ARG 37 11.843 -0.515 -3.435 283 HE ARG 37 HE ARG 37 10.843 -2.177 -2.065 284 1HH1 ARG 37 2HH2 ARG 37 14.232 -2.912 -2.667 285 2HH1 ARG 37 1HH2 ARG 37 14.318 -4.129 -1.438 286 1HH2 ARG 37 2HH1 ARG 37 10.957 -3.783 -0.443 287 2HH2 ARG 37 1HH1 ARG 37 12.443 -4.629 -0.165 288 H SER 38 H SER 38 9.033 -3.310 -6.332 289 HA SER 38 HA SER 38 10.768 -5.580 -6.756 290 1HB SER 38 1HB SER 38 7.903 -5.465 -5.713 291 2HB SER 38 2HB SER 38 8.926 -6.888 -5.726 292 HG SER 38 HG SER 38 10.047 -4.616 -4.472 293 H LEU 39 H LEU 39 8.461 -3.641 -8.416 294 HA LEU 39 HA LEU 39 7.891 -5.847 -10.271 295 1HB LEU 39 1HB LEU 39 6.030 -4.564 -8.938 296 2HB LEU 39 2HB LEU 39 6.279 -3.328 -10.156 297 HG LEU 39 HG LEU 39 6.030 -5.730 -11.599 298 1HD1 LEU 39 3HD1 LEU 39 4.190 -5.648 -9.219 299 2HD1 LEU 39 1HD1 LEU 39 3.674 -6.385 -10.755 300 3HD1 LEU 39 2HD1 LEU 39 5.102 -7.016 -9.900 301 1HD2 LEU 39 1HD2 LEU 39 5.223 -3.295 -12.001 302 2HD2 LEU 39 2HD2 LEU 39 4.282 -4.650 -12.668 303 3HD2 LEU 39 3HD2 LEU 39 3.736 -3.832 -11.184 304 H GLY 40 H GLY 40 9.175 -2.571 -9.791 305 1HA GLY 40 1HA GLY 40 11.040 -2.199 -11.443 306 2HA GLY 40 2HA GLY 40 9.817 -2.446 -12.674 307 H GLN 41 H GLN 41 9.560 -0.728 -9.492 308 HA GLN 41 HA GLN 41 9.204 1.731 -11.001 309 1HB GLN 41 1HB GLN 41 7.265 0.417 -9.126 310 2HB GLN 41 2HB GLN 41 7.408 2.160 -9.020 311 1HG GLN 41 1HG GLN 41 6.883 2.414 -11.402 312 2HG GLN 41 2HG GLN 41 6.944 0.680 -11.650 313 1HE2 GLN 41 2HE2 GLN 41 3.826 -0.063 -10.115 314 2HE2 GLN 41 1HE2 GLN 41 5.421 -0.657 -10.436 315 H ASN 42 H ASN 42 9.052 3.659 -9.219 316 HA ASN 42 HA ASN 42 10.255 3.317 -6.784 317 1HB ASN 42 1HB ASN 42 12.228 2.745 -8.451 318 2HB ASN 42 2HB ASN 42 12.276 4.471 -8.750 319 1HD2 ASN 42 2HD2 ASN 42 14.456 3.153 -5.830 320 2HD2 ASN 42 1HD2 ASN 42 14.050 2.435 -7.352 321 HA PRO 43 HA PRO 43 8.631 7.416 -8.139 322 1HB PRO 43 1HB PRO 43 6.321 7.460 -6.680 323 2HB PRO 43 2HB PRO 43 6.387 6.951 -8.356 324 1HG PRO 43 1HG PRO 43 6.109 5.293 -5.924 325 2HG PRO 43 2HG PRO 43 5.756 4.869 -7.587 326 1HD PRO 43 1HD PRO 43 8.053 4.074 -6.064 327 2HD PRO 43 2HD PRO 43 7.756 3.748 -7.760 328 H THR 44 H THR 44 8.435 9.465 -7.004 329 HA THR 44 HA THR 44 10.171 9.400 -4.735 330 HB THR 44 HB THR 44 9.766 11.899 -4.865 331 HG1 THR 44 HG1 THR 44 8.051 12.532 -6.170 332 1HG2 THR 44 1HG2 THR 44 10.149 10.566 -7.599 333 2HG2 THR 44 2HG2 THR 44 10.573 12.247 -7.195 334 3HG2 THR 44 3HG2 THR 44 11.454 10.900 -6.435 335 H GLU 45 H GLU 45 9.502 10.859 -2.757 336 HA GLU 45 HA GLU 45 7.419 9.412 -1.536 337 1HB GLU 45 1HB GLU 45 9.021 9.981 0.028 338 2HB GLU 45 2HB GLU 45 9.389 11.514 -0.737 339 1HG GLU 45 1HG GLU 45 7.406 12.561 0.188 340 2HG GLU 45 2HG GLU 45 6.747 11.020 0.701 341 H ALA 46 H ALA 46 7.531 12.235 -3.521 342 HA ALA 46 HA ALA 46 5.277 13.550 -2.341 343 1HB ALA 46 1HB ALA 46 6.772 13.892 -4.970 344 2HB ALA 46 2HB ALA 46 5.471 14.967 -4.405 345 3HB ALA 46 3HB ALA 46 6.987 14.843 -3.481 346 H GLU 47 H GLU 47 5.926 11.448 -5.212 347 HA GLU 47 HA GLU 47 3.379 11.579 -6.249 348 1HB GLU 47 1HB GLU 47 5.308 10.671 -7.484 349 2HB GLU 47 2HB GLU 47 5.430 9.325 -6.368 350 1HG GLU 47 1HG GLU 47 4.011 8.170 -7.707 351 2HG GLU 47 2HG GLU 47 2.737 9.270 -7.219 352 H LEU 48 H LEU 48 4.842 8.943 -4.202 353 HA LEU 48 HA LEU 48 2.684 7.370 -3.868 354 1HB LEU 48 1HB LEU 48 4.705 8.153 -1.763 355 2HB LEU 48 2HB LEU 48 3.644 6.760 -1.681 356 HG LEU 48 HG LEU 48 5.460 7.044 -4.049 357 1HD1 LEU 48 3HD1 LEU 48 6.346 6.752 -1.258 358 2HD1 LEU 48 1HD1 LEU 48 6.971 5.511 -2.370 359 3HD1 LEU 48 2HD1 LEU 48 7.249 7.235 -2.713 360 1HD2 LEU 48 3HD2 LEU 48 3.689 5.248 -3.808 361 2HD2 LEU 48 1HD2 LEU 48 5.344 4.684 -4.140 362 3HD2 LEU 48 2HD2 LEU 48 4.680 4.573 -2.493 363 H GLN 49 H GLN 49 3.509 10.173 -1.701 364 HA GLN 49 HA GLN 49 1.400 10.106 -0.082 365 1HB GLN 49 1HB GLN 49 3.399 11.902 -0.578 366 2HB GLN 49 2HB GLN 49 2.026 12.825 -1.154 367 1HG GLN 49 1HG GLN 49 1.974 13.421 1.094 368 2HG GLN 49 2HG GLN 49 0.912 12.027 1.139 369 1HE2 GLN 49 2HE2 GLN 49 2.794 10.584 3.651 370 2HE2 GLN 49 1HE2 GLN 49 1.265 11.092 3.015 371 H ASP 50 H ASP 50 1.455 11.380 -3.453 372 HA ASP 50 HA ASP 50 -1.123 12.420 -3.371 373 1HB ASP 50 1HB ASP 50 0.999 12.002 -5.310 374 2HB ASP 50 2HB ASP 50 -0.521 11.505 -6.028 375 H MET 51 H MET 51 0.306 9.222 -4.223 376 HA MET 51 HA MET 51 -2.059 8.154 -5.283 377 1HB MET 51 1HB MET 51 0.338 6.727 -4.002 378 2HB MET 51 2HB MET 51 -0.806 5.996 -5.110 379 1HG MET 51 1HG MET 51 -0.040 7.332 -6.962 380 2HG MET 51 2HG MET 51 0.805 8.452 -5.912 381 1HE MET 51 1HE MET 51 1.767 7.174 -8.411 382 2HE MET 51 2HE MET 51 3.175 6.101 -8.227 383 3HE MET 51 3HE MET 51 1.533 5.415 -8.279 384 H ILE 52 H ILE 52 -0.372 7.635 -2.099 385 HA ILE 52 HA ILE 52 -2.129 5.944 -0.932 386 HB ILE 52 HB ILE 52 -0.465 8.191 0.165 387 1HG1 ILE 52 1HG1 ILE 52 -0.212 5.195 -0.035 388 2HG1 ILE 52 2HG1 ILE 52 0.882 6.434 -0.618 389 1HG2 ILE 52 1HG2 ILE 52 -2.671 6.925 1.502 390 2HG2 ILE 52 2HG2 ILE 52 -1.143 6.449 2.281 391 3HG2 ILE 52 3HG2 ILE 52 -1.549 8.172 2.098 392 1HD1 ILE 52 3HD1 ILE 52 0.863 7.046 2.053 393 2HD1 ILE 52 1HD1 ILE 52 0.600 5.287 2.118 394 3HD1 ILE 52 2HD1 ILE 52 2.039 5.942 1.301 395 H ASN 53 H ASN 53 -2.403 9.541 -1.176 396 HA ASN 53 HA ASN 53 -4.578 9.907 0.367 397 1HB ASN 53 1HB ASN 53 -3.366 11.259 -1.989 398 2HB ASN 53 2HB ASN 53 -5.077 11.595 -1.814 399 1HD2 ASN 53 2HD2 ASN 53 -2.711 13.894 0.176 400 2HD2 ASN 53 1HD2 ASN 53 -2.577 13.194 -1.403 401 H GLU 54 H GLU 54 -4.353 8.790 -3.064 402 HA GLU 54 HA GLU 54 -7.023 8.892 -3.684 403 1HB GLU 54 1HB GLU 54 -4.993 6.834 -4.656 404 2HB GLU 54 2HB GLU 54 -6.475 7.287 -5.475 405 1HG GLU 54 1HG GLU 54 -5.424 9.756 -5.272 406 2HG GLU 54 2HG GLU 54 -3.921 8.862 -5.158 407 H VAL 55 H VAL 55 -5.139 6.501 -1.820 408 HA VAL 55 HA VAL 55 -7.604 4.936 -1.492 409 HB VAL 55 HB VAL 55 -5.593 3.353 -0.561 410 1HG1 VAL 55 3HG1 VAL 55 -7.270 3.528 -2.949 411 2HG1 VAL 55 1HG1 VAL 55 -5.740 2.668 -3.251 412 3HG1 VAL 55 2HG1 VAL 55 -6.831 2.115 -1.958 413 1HG2 VAL 55 3HG2 VAL 55 -3.926 5.075 -1.357 414 2HG2 VAL 55 1HG2 VAL 55 -3.696 3.436 -2.014 415 3HG2 VAL 55 2HG2 VAL 55 -4.441 4.702 -3.020 416 H ASP 56 H ASP 56 -6.939 7.485 -0.129 417 HA ASP 56 HA ASP 56 -7.244 6.458 2.526 418 1HB ASP 56 1HB ASP 56 -4.898 6.702 2.686 419 2HB ASP 56 2HB ASP 56 -4.867 8.085 1.611 420 H ALA 57 H ALA 57 -9.259 7.490 2.799 421 HA ALA 57 HA ALA 57 -9.500 10.259 1.912 422 1HB ALA 57 1HB ALA 57 -11.185 8.440 1.317 423 2HB ALA 57 2HB ALA 57 -11.643 8.423 3.037 424 3HB ALA 57 3HB ALA 57 -11.863 9.903 2.072 425 H ASP 58 H ASP 58 -8.656 8.426 4.670 426 HA ASP 58 HA ASP 58 -9.931 10.059 6.587 427 1HB ASP 58 1HB ASP 58 -9.151 8.485 8.039 428 2HB ASP 58 2HB ASP 58 -8.651 7.605 6.608 429 H GLY 59 H GLY 59 -6.695 9.826 5.007 430 1HA GLY 59 1HA GLY 59 -5.188 11.506 4.656 431 2HA GLY 59 2HA GLY 59 -6.118 12.579 5.683 432 H ASN 60 H ASN 60 -5.113 9.280 6.660 433 HA ASN 60 HA ASN 60 -3.864 10.394 8.953 434 1HB ASN 60 1HB ASN 60 -3.538 8.041 9.626 435 2HB ASN 60 2HB ASN 60 -5.165 8.239 9.005 436 1HD2 ASN 60 2HD2 ASN 60 -3.350 5.203 7.597 437 2HD2 ASN 60 1HD2 ASN 60 -3.503 5.862 9.192 438 H GLY 61 H GLY 61 -2.968 9.495 5.713 439 1HA GLY 61 1HA GLY 61 -0.884 10.043 4.804 440 2HA GLY 61 2HA GLY 61 -0.128 9.835 6.371 441 H THR 62 H THR 62 -1.647 7.267 6.916 442 HA THR 62 HA THR 62 0.039 5.555 5.226 443 HB THR 62 HB THR 62 -1.346 4.686 7.779 444 HG1 THR 62 HG1 THR 62 -0.097 6.171 8.846 445 1HG2 THR 62 1HG2 THR 62 1.452 4.223 6.618 446 2HG2 THR 62 2HG2 THR 62 0.803 3.476 8.097 447 3HG2 THR 62 3HG2 THR 62 0.104 3.066 6.512 448 H ILE 63 H ILE 63 -0.917 3.294 4.831 449 HA ILE 63 HA ILE 63 -3.721 3.678 4.039 450 HB ILE 63 HB ILE 63 -1.460 2.237 2.663 451 1HG1 ILE 63 1HG1 ILE 63 -2.252 4.856 2.481 452 2HG1 ILE 63 2HG1 ILE 63 -1.375 3.968 1.251 453 1HG2 ILE 63 2HG2 ILE 63 -4.437 2.011 2.245 454 2HG2 ILE 63 3HG2 ILE 63 -3.276 1.716 0.928 455 3HG2 ILE 63 1HG2 ILE 63 -3.222 0.720 2.403 456 1HD1 ILE 63 1HD1 ILE 63 -4.397 3.793 1.341 457 2HD1 ILE 63 2HD1 ILE 63 -3.606 5.205 0.600 458 3HD1 ILE 63 3HD1 ILE 63 -3.302 3.574 -0.046 459 H ASP 64 H ASP 64 -5.208 2.216 4.768 460 HA ASP 64 HA ASP 64 -4.109 0.116 6.442 461 1HB ASP 64 1HB ASP 64 -6.977 1.149 6.254 462 2HB ASP 64 2HB ASP 64 -6.364 0.035 7.460 463 H PHE 65 H PHE 65 -5.974 -1.836 6.505 464 HA PHE 65 HA PHE 65 -5.815 -3.033 3.973 465 1HB PHE 65 1HB PHE 65 -5.934 -4.167 6.244 466 2HB PHE 65 2HB PHE 65 -7.569 -3.568 6.447 467 HD1 PHE 65 HD2 PHE 65 -5.866 -5.211 3.555 468 HD2 PHE 65 HD1 PHE 65 -9.017 -5.361 6.393 469 HE1 PHE 65 HE2 PHE 65 -6.761 -7.281 2.452 470 HE2 PHE 65 HE1 PHE 65 -9.912 -7.430 5.291 471 HZ PHE 65 HZ PHE 65 -8.773 -8.366 3.334 472 HA PRO 66 HA PRO 66 -10.416 -1.880 3.770 473 1HB PRO 66 1HB PRO 66 -11.386 0.056 5.436 474 2HB PRO 66 2HB PRO 66 -11.535 -1.658 5.770 475 1HG PRO 66 1HG PRO 66 -9.715 0.319 7.003 476 2HG PRO 66 2HG PRO 66 -10.179 -1.264 7.594 477 1HD PRO 66 1HD PRO 66 -7.693 -0.559 6.349 478 2HD PRO 66 2HD PRO 66 -8.204 -2.163 6.835 479 H GLU 67 H GLU 67 -7.821 0.200 3.972 480 HA GLU 67 HA GLU 67 -9.211 2.162 2.349 481 1HB GLU 67 1HB GLU 67 -6.369 2.399 3.393 482 2HB GLU 67 2HB GLU 67 -7.443 3.687 2.886 483 1HG GLU 67 1HG GLU 67 -8.427 1.944 5.123 484 2HG GLU 67 2HG GLU 67 -7.074 2.994 5.497 485 H PHE 68 H PHE 68 -6.752 -0.380 2.283 486 HA PHE 68 HA PHE 68 -5.806 0.456 -0.322 487 1HB PHE 68 1HB PHE 68 -4.047 -0.469 0.955 488 2HB PHE 68 2HB PHE 68 -5.132 -1.482 1.885 489 HD1 PHE 68 HD2 PHE 68 -6.122 -3.544 0.688 490 HD2 PHE 68 HD1 PHE 68 -2.758 -1.396 -0.754 491 HE1 PHE 68 HE2 PHE 68 -5.439 -5.534 -0.681 492 HE2 PHE 68 HE1 PHE 68 -2.074 -3.386 -2.123 493 HZ PHE 68 HZ PHE 68 -3.423 -5.431 -2.070 494 H LEU 69 H LEU 69 -7.946 -1.963 1.200 495 HA LEU 69 HA LEU 69 -8.143 -3.890 -0.659 496 1HB LEU 69 1HB LEU 69 -10.088 -2.575 1.171 497 2HB LEU 69 2HB LEU 69 -10.726 -3.668 -0.042 498 HG LEU 69 HG LEU 69 -8.496 -4.500 1.816 499 1HD1 LEU 69 3HD1 LEU 69 -10.963 -3.696 2.744 500 2HD1 LEU 69 1HD1 LEU 69 -11.165 -5.454 2.546 501 3HD1 LEU 69 2HD1 LEU 69 -9.849 -4.818 3.562 502 1HD2 LEU 69 2HD2 LEU 69 -9.083 -5.789 -0.313 503 2HD2 LEU 69 3HD2 LEU 69 -9.027 -6.705 1.213 504 3HD2 LEU 69 1HD2 LEU 69 -10.595 -6.234 0.514 505 H THR 70 H THR 70 -9.613 -0.598 -0.828 506 HA THR 70 HA THR 70 -11.091 -0.941 -3.136 507 HB THR 70 HB THR 70 -11.233 1.039 -1.672 508 HG1 THR 70 HG1 THR 70 -10.013 1.666 -4.267 509 1HG2 THR 70 2HG2 THR 70 -8.532 1.047 -1.464 510 2HG2 THR 70 3HG2 THR 70 -8.689 2.157 -2.846 511 3HG2 THR 70 1HG2 THR 70 -9.480 2.545 -1.300 512 H MET 71 H MET 71 -7.601 -0.076 -2.792 513 HA MET 71 HA MET 71 -7.037 0.458 -5.363 514 1HB MET 71 1HB MET 71 -5.626 -0.157 -2.984 515 2HB MET 71 2HB MET 71 -5.031 -1.344 -4.129 516 1HG MET 71 1HG MET 71 -5.168 1.224 -5.468 517 2HG MET 71 2HG MET 71 -4.331 1.441 -3.944 518 1HE MET 71 1HE MET 71 -2.546 2.200 -4.964 519 2HE MET 71 2HE MET 71 -1.128 1.126 -5.019 520 3HE MET 71 3HE MET 71 -1.928 1.622 -6.529 521 H MET 72 H MET 72 -7.010 -2.837 -3.825 522 HA MET 72 HA MET 72 -6.261 -4.237 -6.039 523 1HB MET 72 1HB MET 72 -8.158 -4.940 -3.736 524 2HB MET 72 2HB MET 72 -7.589 -6.141 -4.879 525 1HG MET 72 1HG MET 72 -5.365 -4.531 -3.810 526 2HG MET 72 2HG MET 72 -6.269 -5.312 -2.527 527 1HE MET 72 3HE MET 72 -4.347 -5.780 -5.875 528 2HE MET 72 1HE MET 72 -3.280 -5.679 -4.454 529 3HE MET 72 2HE MET 72 -3.364 -7.185 -5.399 530 H ALA 73 H ALA 73 -9.619 -3.419 -4.927 531 HA ALA 73 HA ALA 73 -11.087 -4.737 -6.774 532 1HB ALA 73 1HB ALA 73 -11.478 -2.726 -4.874 533 2HB ALA 73 2HB ALA 73 -12.027 -1.988 -6.398 534 3HB ALA 73 3HB ALA 73 -12.742 -3.521 -5.843 535 H ARG 74 H ARG 74 -9.545 -1.476 -7.177 536 HA ARG 74 HA ARG 74 -10.250 -1.584 -9.962 537 1HB ARG 74 1HB ARG 74 -8.732 0.582 -8.422 538 2HB ARG 74 2HB ARG 74 -9.406 0.748 -10.031 539 1HG ARG 74 1HG ARG 74 -11.695 0.454 -9.155 540 2HG ARG 74 2HG ARG 74 -11.074 0.128 -7.549 541 1HD ARG 74 1HD ARG 74 -10.612 2.752 -9.049 542 2HD ARG 74 2HD ARG 74 -11.896 2.509 -7.881 543 HE ARG 74 HE ARG 74 -10.297 2.471 -6.122 544 1HH1 ARG 74 2HH2 ARG 74 -8.719 2.609 -9.264 545 2HH1 ARG 74 1HH2 ARG 74 -7.167 3.012 -8.609 546 1HH2 ARG 74 2HH1 ARG 74 -8.250 3.003 -5.257 547 2HH2 ARG 74 1HH1 ARG 74 -6.898 3.237 -6.315 548 H LYS 75 H LYS 75 -8.528 -3.656 -9.457 549 HA LYS 75 HA LYS 75 -5.847 -3.246 -9.364 550 1HB LYS 75 1HB LYS 75 -7.592 -5.374 -9.913 551 2HB LYS 75 2HB LYS 75 -6.517 -5.313 -11.295 552 1HG LYS 75 1HG LYS 75 -4.785 -4.904 -9.124 553 2HG LYS 75 2HG LYS 75 -5.934 -6.073 -8.502 554 1HD LYS 75 1HD LYS 75 -4.298 -7.442 -9.517 555 2HD LYS 75 2HD LYS 75 -5.550 -7.365 -10.741 556 1HE LYS 75 1HE LYS 75 -4.273 -5.386 -11.773 557 2HE LYS 75 2HE LYS 75 -2.968 -5.740 -10.658 558 1HZ LYS 75 3HZ LYS 75 -4.073 -7.799 -12.423 559 2HZ LYS 75 1HZ LYS 75 -2.866 -6.810 -12.904 560 3HZ LYS 75 2HZ LYS 75 -2.644 -7.811 -11.632 No H/Q in entry = 560 Start of MODEL 9 1 H MET 0 H MET 0 -30.558 -19.890 4.364 2 HA MET 0 HA MET 0 -28.365 -21.587 4.932 3 1HB MET 0 1HB MET 0 -29.379 -21.200 2.086 4 2HB MET 0 2HB MET 0 -27.658 -21.394 2.358 5 1HG MET 0 1HG MET 0 -28.273 -23.523 3.723 6 2HG MET 0 2HG MET 0 -29.878 -23.369 3.037 7 1HE MET 0 1HE MET 0 -26.149 -23.629 2.430 8 2HE MET 0 2HE MET 0 -25.976 -24.096 0.721 9 3HE MET 0 3HE MET 0 -26.416 -22.425 1.147 10 H ALA 1 H ALA 1 -28.436 -19.381 2.120 11 HA ALA 1 HA ALA 1 -28.081 -16.949 3.206 12 1HB ALA 1 2HB ALA 1 -25.620 -18.652 3.539 13 2HB ALA 1 3HB ALA 1 -25.434 -16.920 3.173 14 3HB ALA 1 1HB ALA 1 -26.312 -17.431 4.634 15 H ASP 2 H ASP 2 -26.489 -15.531 1.720 16 HA ASP 2 HA ASP 2 -25.936 -16.666 -0.798 17 1HB ASP 2 1HB ASP 2 -28.525 -15.282 -0.345 18 2HB ASP 2 2HB ASP 2 -27.613 -14.623 -1.688 19 H GLN 3 H GLN 3 -23.923 -15.613 0.195 20 HA GLN 3 HA GLN 3 -23.268 -13.304 -1.035 21 1HB GLN 3 1HB GLN 3 -24.998 -12.679 1.116 22 2HB GLN 3 2HB GLN 3 -23.397 -12.273 1.701 23 1HG GLN 3 1HG GLN 3 -23.187 -11.183 -0.767 24 2HG GLN 3 2HG GLN 3 -24.931 -11.104 -0.611 25 1HE2 GLN 3 2HE2 GLN 3 -22.583 -9.130 2.195 26 2HE2 GLN 3 1HE2 GLN 3 -22.111 -10.657 1.529 27 H LEU 4 H LEU 4 -21.032 -12.893 -0.775 28 HA LEU 4 HA LEU 4 -19.619 -14.932 0.629 29 1HB LEU 4 1HB LEU 4 -17.628 -13.599 -0.211 30 2HB LEU 4 2HB LEU 4 -18.679 -14.347 -1.396 31 HG LEU 4 HG LEU 4 -19.517 -11.618 -0.815 32 1HD1 LEU 4 1HD1 LEU 4 -16.629 -12.120 -1.319 33 2HD1 LEU 4 2HD1 LEU 4 -17.402 -10.806 -2.237 34 3HD1 LEU 4 3HD1 LEU 4 -17.437 -10.788 -0.458 35 1HD2 LEU 4 2HD2 LEU 4 -19.608 -13.439 -2.924 36 2HD2 LEU 4 3HD2 LEU 4 -20.184 -11.755 -2.931 37 3HD2 LEU 4 1HD2 LEU 4 -18.541 -12.136 -3.499 38 H THR 5 H THR 5 -17.448 -13.883 1.818 39 HA THR 5 HA THR 5 -18.192 -11.704 3.555 40 HB THR 5 HB THR 5 -18.567 -12.933 5.499 41 HG1 THR 5 HG1 THR 5 -16.909 -14.925 4.118 42 1HG2 THR 5 3HG2 THR 5 -19.074 -15.092 3.383 43 2HG2 THR 5 1HG2 THR 5 -19.677 -15.131 5.057 44 3HG2 THR 5 2HG2 THR 5 -20.265 -13.887 3.928 45 H GLU 6 H GLU 6 -16.261 -12.155 5.561 46 HA GLU 6 HA GLU 6 -14.090 -11.029 4.496 47 1HB GLU 6 1HB GLU 6 -14.217 -12.988 6.828 48 2HB GLU 6 2HB GLU 6 -12.827 -11.977 6.487 49 1HG GLU 6 1HG GLU 6 -14.368 -9.946 6.615 50 2HG GLU 6 2HG GLU 6 -15.652 -11.017 7.140 51 H GLU 7 H GLU 7 -14.951 -14.488 4.462 52 HA GLU 7 HA GLU 7 -12.681 -15.751 4.020 53 1HB GLU 7 1HB GLU 7 -15.370 -16.016 2.656 54 2HB GLU 7 2HB GLU 7 -14.056 -17.080 2.195 55 1HG GLU 7 1HG GLU 7 -14.270 -16.876 5.117 56 2HG GLU 7 2HG GLU 7 -15.789 -17.389 4.410 57 H GLN 8 H GLN 8 -14.294 -13.517 1.726 58 HA GLN 8 HA GLN 8 -12.525 -14.143 -0.388 59 1HB GLN 8 1HB GLN 8 -14.884 -12.495 0.041 60 2HB GLN 8 2HB GLN 8 -13.670 -11.570 -0.820 61 1HG GLN 8 1HG GLN 8 -14.650 -12.629 -2.633 62 2HG GLN 8 2HG GLN 8 -13.441 -13.837 -2.245 63 1HE2 GLN 8 2HE2 GLN 8 -15.721 -16.113 -0.642 64 2HE2 GLN 8 1HE2 GLN 8 -14.136 -15.431 -0.499 65 H ILE 9 H ILE 9 -12.815 -11.482 2.045 66 HA ILE 9 HA ILE 9 -10.763 -9.893 1.091 67 HB ILE 9 HB ILE 9 -12.570 -9.733 3.074 68 1HG1 ILE 9 1HG1 ILE 9 -10.849 -7.760 3.831 69 2HG1 ILE 9 2HG1 ILE 9 -10.206 -8.152 2.248 70 1HG2 ILE 9 1HG2 ILE 9 -11.088 -11.297 4.449 71 2HG2 ILE 9 2HG2 ILE 9 -9.972 -9.919 4.598 72 3HG2 ILE 9 3HG2 ILE 9 -11.632 -9.790 5.225 73 1HD1 ILE 9 3HD1 ILE 9 -13.196 -7.822 2.573 74 2HD1 ILE 9 1HD1 ILE 9 -12.156 -6.381 2.471 75 3HD1 ILE 9 2HD1 ILE 9 -12.185 -7.554 1.133 76 H ALA 10 H ALA 10 -10.713 -12.815 3.176 77 HA ALA 10 HA ALA 10 -8.216 -12.779 4.172 78 1HB ALA 10 3HB ALA 10 -10.229 -14.625 3.901 79 2HB ALA 10 1HB ALA 10 -8.954 -15.347 2.891 80 3HB ALA 10 2HB ALA 10 -8.629 -14.972 4.600 81 H GLU 11 H GLU 11 -9.187 -13.445 0.772 82 HA GLU 11 HA GLU 11 -6.635 -14.219 -0.049 83 1HB GLU 11 1HB GLU 11 -9.015 -13.099 -1.588 84 2HB GLU 11 2HB GLU 11 -7.567 -13.701 -2.369 85 1HG GLU 11 1HG GLU 11 -7.903 -15.916 -1.185 86 2HG GLU 11 2HG GLU 11 -9.408 -15.301 -0.530 87 H PHE 12 H PHE 12 -8.358 -11.057 0.060 88 HA PHE 12 HA PHE 12 -6.419 -9.617 -1.356 89 1HB PHE 12 1HB PHE 12 -8.535 -8.995 0.777 90 2HB PHE 12 2HB PHE 12 -7.581 -7.711 0.062 91 HD1 PHE 12 HD1 PHE 12 -10.005 -10.395 -0.731 92 HD2 PHE 12 HD2 PHE 12 -8.140 -6.819 -2.049 93 HE1 PHE 12 HE1 PHE 12 -11.628 -10.253 -2.641 94 HE2 PHE 12 HE2 PHE 12 -9.763 -6.676 -3.959 95 HZ PHE 12 HZ PHE 12 -11.487 -8.395 -4.232 96 H LYS 13 H LYS 13 -6.741 -10.573 2.076 97 HA LYS 13 HA LYS 13 -5.139 -8.853 3.363 98 1HB LYS 13 1HB LYS 13 -5.307 -11.864 3.630 99 2HB LYS 13 2HB LYS 13 -4.442 -10.850 4.767 100 1HG LYS 13 1HG LYS 13 -6.699 -9.464 4.853 101 2HG LYS 13 2HG LYS 13 -7.416 -10.915 4.180 102 1HD LYS 13 1HD LYS 13 -7.222 -12.075 6.145 103 2HD LYS 13 2HD LYS 13 -5.600 -11.485 6.446 104 1HE LYS 13 1HE LYS 13 -6.860 -9.178 6.938 105 2HE LYS 13 2HE LYS 13 -8.246 -10.221 7.191 106 1HZ LYS 13 2HZ LYS 13 -5.689 -10.782 8.494 107 2HZ LYS 13 3HZ LYS 13 -6.762 -9.742 9.152 108 3HZ LYS 13 1HZ LYS 13 -7.178 -11.303 8.916 109 H GLU 14 H GLU 14 -3.858 -11.878 1.797 110 HA GLU 14 HA GLU 14 -1.248 -11.383 2.111 111 1HB GLU 14 1HB GLU 14 -2.693 -12.627 -0.263 112 2HB GLU 14 2HB GLU 14 -0.950 -12.677 -0.088 113 1HG GLU 14 1HG GLU 14 -1.683 -13.553 2.401 114 2HG GLU 14 2HG GLU 14 -3.059 -14.120 1.474 115 H ALA 15 H ALA 15 -3.454 -9.946 -0.329 116 HA ALA 15 HA ALA 15 -1.534 -8.770 -1.954 117 1HB ALA 15 1HB ALA 15 -4.138 -9.034 -2.158 118 2HB ALA 15 2HB ALA 15 -4.180 -7.459 -1.331 119 3HB ALA 15 3HB ALA 15 -3.341 -7.622 -2.892 120 H PHE 16 H PHE 16 -3.366 -7.364 0.857 121 HA PHE 16 HA PHE 16 -2.056 -4.931 0.860 122 1HB PHE 16 1HB PHE 16 -4.149 -5.728 2.137 123 2HB PHE 16 2HB PHE 16 -3.095 -6.623 3.213 124 HD1 PHE 16 HD1 PHE 16 -3.440 -3.140 1.894 125 HD2 PHE 16 HD2 PHE 16 -2.564 -5.628 5.218 126 HE1 PHE 16 HE1 PHE 16 -3.205 -1.110 3.351 127 HE2 PHE 16 HE2 PHE 16 -2.329 -3.598 6.676 128 HZ PHE 16 HZ PHE 16 -2.653 -1.364 5.725 129 H SER 17 H SER 17 -1.082 -8.115 2.133 130 HA SER 17 HA SER 17 0.854 -7.219 3.891 131 1HB SER 17 1HB SER 17 0.477 -9.462 4.212 132 2HB SER 17 2HB SER 17 0.170 -9.766 2.514 133 HG SER 17 HG SER 17 2.638 -9.755 3.939 134 H LEU 18 H LEU 18 1.036 -8.183 0.398 135 HA LEU 18 HA LEU 18 3.685 -8.047 -0.056 136 1HB LEU 18 1HB LEU 18 1.246 -7.687 -1.598 137 2HB LEU 18 2HB LEU 18 2.569 -6.738 -2.245 138 HG LEU 18 HG LEU 18 3.827 -9.122 -1.879 139 1HD1 LEU 18 3HD1 LEU 18 1.635 -10.117 -1.117 140 2HD1 LEU 18 1HD1 LEU 18 1.050 -9.906 -2.785 141 3HD1 LEU 18 2HD1 LEU 18 2.446 -10.961 -2.458 142 1HD2 LEU 18 1HD2 LEU 18 2.338 -7.991 -4.242 143 2HD2 LEU 18 2HD2 LEU 18 4.086 -7.993 -3.905 144 3HD2 LEU 18 3HD2 LEU 18 3.265 -9.506 -4.359 145 H PHE 19 H PHE 19 1.503 -5.170 -0.512 146 HA PHE 19 HA PHE 19 3.552 -3.340 -0.738 147 1HB PHE 19 1HB PHE 19 0.645 -3.333 0.202 148 2HB PHE 19 2HB PHE 19 1.554 -1.836 0.262 149 HD1 PHE 19 HD1 PHE 19 2.391 -0.813 -1.839 150 HD2 PHE 19 HD2 PHE 19 -0.138 -4.221 -1.875 151 HE1 PHE 19 HE1 PHE 19 1.863 -0.396 -4.257 152 HE2 PHE 19 HE2 PHE 19 -0.666 -3.804 -4.294 153 HZ PHE 19 HZ PHE 19 0.341 -1.896 -5.456 154 H ASP 20 H ASP 20 1.701 -4.388 2.198 155 HA ASP 20 HA ASP 20 3.016 -2.606 3.890 156 1HB ASP 20 1HB ASP 20 0.992 -3.467 4.736 157 2HB ASP 20 2HB ASP 20 1.353 -5.103 4.223 158 H LYS 21 H LYS 21 4.346 -3.570 5.896 159 HA LYS 21 HA LYS 21 5.729 -5.959 5.666 160 1HB LYS 21 1HB LYS 21 6.614 -4.325 3.673 161 2HB LYS 21 2HB LYS 21 7.717 -3.880 4.959 162 1HG LYS 21 1HG LYS 21 7.311 -6.798 4.816 163 2HG LYS 21 2HG LYS 21 7.917 -6.147 3.306 164 1HD LYS 21 1HD LYS 21 9.991 -6.018 4.207 165 2HD LYS 21 2HD LYS 21 9.403 -4.846 5.369 166 1HE LYS 21 1HE LYS 21 8.813 -6.598 6.961 167 2HE LYS 21 2HE LYS 21 9.092 -7.855 5.773 168 1HZ LYS 21 2HZ LYS 21 11.424 -6.557 5.789 169 2HZ LYS 21 3HZ LYS 21 10.982 -6.419 7.355 170 3HZ LYS 21 1HZ LYS 21 11.107 -7.896 6.669 171 H ASP 22 H ASP 22 4.329 -4.375 7.608 172 HA ASP 22 HA ASP 22 6.546 -3.998 9.447 173 1HB ASP 22 1HB ASP 22 4.197 -2.242 9.918 174 2HB ASP 22 2HB ASP 22 5.905 -1.877 10.064 175 H GLY 23 H GLY 23 4.080 -5.902 8.640 176 1HA GLY 23 1HA GLY 23 2.392 -7.020 9.674 177 2HA GLY 23 2HA GLY 23 3.627 -7.246 10.897 178 H ASP 24 H ASP 24 2.328 -4.015 10.116 179 HA ASP 24 HA ASP 24 1.295 -3.930 12.817 180 1HB ASP 24 1HB ASP 24 1.419 -1.542 12.631 181 2HB ASP 24 2HB ASP 24 2.884 -2.156 11.891 182 H GLY 25 H GLY 25 0.422 -3.683 9.355 183 1HA GLY 25 1HA GLY 25 -1.762 -4.370 8.677 184 2HA GLY 25 2HA GLY 25 -2.429 -3.632 10.119 185 H THR 26 H THR 26 0.175 -1.926 8.463 186 HA THR 26 HA THR 26 -1.779 -0.219 7.092 187 HB THR 26 HB THR 26 -0.787 0.496 9.530 188 HG1 THR 26 HG1 THR 26 -0.990 2.131 7.098 189 1HG2 THR 26 1HG2 THR 26 1.606 0.471 8.556 190 2HG2 THR 26 2HG2 THR 26 1.087 1.808 7.501 191 3HG2 THR 26 3HG2 THR 26 1.086 2.018 9.269 192 H ILE 27 H ILE 27 -0.774 1.190 5.427 193 HA ILE 27 HA ILE 27 1.732 0.026 4.446 194 HB ILE 27 HB ILE 27 -0.809 0.500 2.890 195 1HG1 ILE 27 1HG1 ILE 27 0.823 -2.000 3.420 196 2HG1 ILE 27 2HG1 ILE 27 -0.738 -1.616 4.117 197 1HG2 ILE 27 3HG2 ILE 27 1.284 1.313 1.725 198 2HG2 ILE 27 1HG2 ILE 27 1.845 -0.376 1.740 199 3HG2 ILE 27 2HG2 ILE 27 0.351 0.057 0.875 200 1HD1 ILE 27 1HD1 ILE 27 -0.232 -1.868 1.117 201 2HD1 ILE 27 2HD1 ILE 27 -0.885 -3.169 2.142 202 3HD1 ILE 27 3HD1 ILE 27 -1.810 -1.665 1.916 203 H THR 28 H THR 28 2.872 1.829 5.314 204 HA THR 28 HA THR 28 2.072 4.490 4.842 205 HB THR 28 HB THR 28 3.617 3.722 6.661 206 HG1 THR 28 HG1 THR 28 4.021 5.875 6.186 207 1HG2 THR 28 1HG2 THR 28 4.902 2.148 4.897 208 2HG2 THR 28 2HG2 THR 28 5.851 3.629 4.623 209 3HG2 THR 28 3HG2 THR 28 5.782 2.904 6.247 210 H THR 29 H THR 29 4.678 5.499 3.865 211 HA THR 29 HA THR 29 4.050 5.219 1.036 212 HB THR 29 HB THR 29 5.818 7.160 1.015 213 HG1 THR 29 HG1 THR 29 5.032 7.373 3.774 214 1HG2 THR 29 2HG2 THR 29 3.233 7.426 2.640 215 2HG2 THR 29 3HG2 THR 29 4.198 8.802 2.051 216 3HG2 THR 29 1HG2 THR 29 3.406 7.708 0.891 217 H LYS 30 H LYS 30 7.004 5.066 3.142 218 HA LYS 30 HA LYS 30 8.752 4.187 1.255 219 1HB LYS 30 1HB LYS 30 9.034 4.774 3.784 220 2HB LYS 30 2HB LYS 30 8.795 3.059 4.046 221 1HG LYS 30 1HG LYS 30 10.669 2.536 2.498 222 2HG LYS 30 2HG LYS 30 10.885 4.241 2.157 223 1HD LYS 30 1HD LYS 30 12.239 4.437 3.962 224 2HD LYS 30 2HD LYS 30 10.915 3.971 5.011 225 1HE LYS 30 1HE LYS 30 11.731 1.532 3.867 226 2HE LYS 30 2HE LYS 30 13.239 2.388 4.121 227 1HZ LYS 30 1HZ LYS 30 11.749 2.807 6.376 228 2HZ LYS 30 2HZ LYS 30 11.548 1.224 6.027 229 3HZ LYS 30 3HZ LYS 30 13.051 1.831 6.228 230 H GLU 31 H GLU 31 6.136 2.396 2.879 231 HA GLU 31 HA GLU 31 7.075 -0.112 1.949 232 1HB GLU 31 1HB GLU 31 4.439 0.793 3.178 233 2HB GLU 31 2HB GLU 31 4.756 -0.872 2.734 234 1HG GLU 31 1HG GLU 31 6.505 -1.103 4.342 235 2HG GLU 31 2HG GLU 31 6.712 0.629 4.506 236 H LEU 32 H LEU 32 4.824 2.421 0.829 237 HA LEU 32 HA LEU 32 3.631 0.806 -1.182 238 1HB LEU 32 1HB LEU 32 2.860 3.016 0.030 239 2HB LEU 32 2HB LEU 32 3.705 3.791 -1.296 240 HG LEU 32 HG LEU 32 2.231 2.111 -2.751 241 1HD1 LEU 32 2HD1 LEU 32 1.227 0.984 -0.820 242 2HD1 LEU 32 3HD1 LEU 32 0.531 2.529 -0.276 243 3HD1 LEU 32 1HD1 LEU 32 0.000 1.806 -1.813 244 1HD2 LEU 32 2HD2 LEU 32 1.915 4.864 -1.817 245 2HD2 LEU 32 3HD2 LEU 32 1.761 4.176 -3.451 246 3HD2 LEU 32 1HD2 LEU 32 0.382 4.117 -2.328 247 H GLY 33 H GLY 33 6.598 2.687 -0.861 248 1HA GLY 33 1HA GLY 33 7.051 2.664 -3.751 249 2HA GLY 33 2HA GLY 33 8.012 3.470 -2.526 250 H THR 34 H THR 34 7.364 0.486 -1.190 251 HA THR 34 HA THR 34 10.003 -0.476 -1.883 252 HB THR 34 HB THR 34 7.926 -0.888 0.226 253 HG1 THR 34 HG1 THR 34 10.841 -1.134 -0.039 254 1HG2 THR 34 3HG2 THR 34 9.876 -3.092 -0.629 255 2HG2 THR 34 1HG2 THR 34 9.033 -3.041 0.938 256 3HG2 THR 34 2HG2 THR 34 8.103 -3.231 -0.568 257 H VAL 35 H VAL 35 6.670 -1.921 -1.920 258 HA VAL 35 HA VAL 35 7.317 -4.182 -3.309 259 HB VAL 35 HB VAL 35 4.886 -2.508 -2.943 260 1HG1 VAL 35 1HG1 VAL 35 5.231 -4.534 -5.140 261 2HG1 VAL 35 2HG1 VAL 35 3.660 -4.372 -4.318 262 3HG1 VAL 35 3HG1 VAL 35 4.374 -2.973 -5.156 263 1HG2 VAL 35 2HG2 VAL 35 5.636 -5.396 -2.397 264 2HG2 VAL 35 3HG2 VAL 35 5.413 -4.082 -1.217 265 3HG2 VAL 35 1HG2 VAL 35 4.013 -4.723 -2.110 266 H MET 36 H MET 36 7.112 -0.838 -4.434 267 HA MET 36 HA MET 36 6.778 -1.417 -7.140 268 1HB MET 36 1HB MET 36 8.109 0.944 -5.698 269 2HB MET 36 2HB MET 36 7.698 0.956 -7.402 270 1HG MET 36 1HG MET 36 5.382 0.114 -5.832 271 2HG MET 36 2HG MET 36 6.001 1.631 -5.211 272 1HE MET 36 3HE MET 36 3.317 0.900 -6.473 273 2HE MET 36 1HE MET 36 3.362 2.670 -6.294 274 3HE MET 36 2HE MET 36 2.913 1.945 -7.856 275 H ARG 37 H ARG 37 9.698 -0.948 -5.066 276 HA ARG 37 HA ARG 37 11.560 -0.900 -7.050 277 1HB ARG 37 1HB ARG 37 11.775 -2.160 -4.269 278 2HB ARG 37 2HB ARG 37 13.149 -1.757 -5.279 279 1HG ARG 37 1HG ARG 37 12.806 0.572 -5.064 280 2HG ARG 37 2HG ARG 37 11.108 0.392 -4.671 281 1HD ARG 37 1HD ARG 37 12.169 -0.950 -2.551 282 2HD ARG 37 2HD ARG 37 13.510 0.128 -2.885 283 HE ARG 37 HE ARG 37 11.020 1.598 -2.895 284 1HH1 ARG 37 2HH2 ARG 37 13.355 0.108 -0.724 285 2HH1 ARG 37 1HH2 ARG 37 12.982 1.156 0.603 286 1HH2 ARG 37 2HH1 ARG 37 10.527 2.981 -1.144 287 2HH2 ARG 37 1HH1 ARG 37 11.363 2.802 0.363 288 H SER 38 H SER 38 9.516 -3.515 -5.971 289 HA SER 38 HA SER 38 11.284 -5.569 -6.863 290 1HB SER 38 1HB SER 38 9.492 -5.697 -4.976 291 2HB SER 38 2HB SER 38 8.321 -5.883 -6.267 292 HG SER 38 HG SER 38 10.660 -7.564 -6.124 293 H LEU 39 H LEU 39 9.319 -3.283 -8.385 294 HA LEU 39 HA LEU 39 8.835 -5.093 -10.649 295 1HB LEU 39 1HB LEU 39 7.030 -3.497 -9.208 296 2HB LEU 39 2HB LEU 39 7.294 -2.651 -10.720 297 HG LEU 39 HG LEU 39 6.913 -5.193 -11.634 298 1HD1 LEU 39 3HD1 LEU 39 5.624 -4.998 -8.960 299 2HD1 LEU 39 1HD1 LEU 39 4.672 -5.727 -10.275 300 3HD1 LEU 39 2HD1 LEU 39 6.255 -6.412 -9.838 301 1HD2 LEU 39 1HD2 LEU 39 5.837 -2.914 -12.223 302 2HD2 LEU 39 2HD2 LEU 39 4.922 -4.409 -12.537 303 3HD2 LEU 39 3HD2 LEU 39 4.542 -3.416 -11.110 304 H GLY 40 H GLY 40 11.127 -3.133 -9.571 305 1HA GLY 40 1HA GLY 40 12.810 -2.109 -10.696 306 2HA GLY 40 2HA GLY 40 11.954 -2.346 -12.206 307 H GLN 41 H GLN 41 10.235 -0.863 -9.491 308 HA GLN 41 HA GLN 41 10.393 1.660 -10.942 309 1HB GLN 41 1HB GLN 41 8.188 0.262 -9.462 310 2HB GLN 41 2HB GLN 41 8.214 2.012 -9.374 311 1HG GLN 41 1HG GLN 41 7.958 2.269 -11.723 312 2HG GLN 41 2HG GLN 41 8.523 0.646 -12.063 313 1HE2 GLN 41 2HE2 GLN 41 5.452 -0.969 -11.722 314 2HE2 GLN 41 1HE2 GLN 41 7.169 -1.087 -11.922 315 H ASN 42 H ASN 42 9.650 3.546 -9.176 316 HA ASN 42 HA ASN 42 10.461 3.265 -6.578 317 1HB ASN 42 1HB ASN 42 12.751 2.892 -7.527 318 2HB ASN 42 2HB ASN 42 12.649 4.412 -8.393 319 1HD2 ASN 42 2HD2 ASN 42 14.036 4.283 -4.647 320 2HD2 ASN 42 1HD2 ASN 42 13.829 2.939 -5.720 321 HA PRO 43 HA PRO 43 8.561 7.177 -8.023 322 1HB PRO 43 1HB PRO 43 6.208 6.992 -6.645 323 2HB PRO 43 2HB PRO 43 6.392 6.459 -8.304 324 1HG PRO 43 1HG PRO 43 6.211 4.830 -5.844 325 2HG PRO 43 2HG PRO 43 5.969 4.336 -7.508 326 1HD PRO 43 1HD PRO 43 8.282 3.833 -5.889 327 2HD PRO 43 2HD PRO 43 8.086 3.442 -7.585 328 H THR 44 H THR 44 8.761 9.184 -7.133 329 HA THR 44 HA THR 44 10.138 9.295 -4.701 330 HB THR 44 HB THR 44 9.845 11.737 -5.015 331 HG1 THR 44 HG1 THR 44 8.041 12.392 -6.167 332 1HG2 THR 44 1HG2 THR 44 11.123 10.196 -6.847 333 2HG2 THR 44 2HG2 THR 44 9.802 10.796 -7.878 334 3HG2 THR 44 3HG2 THR 44 10.906 11.946 -7.086 335 H GLU 45 H GLU 45 9.466 10.457 -2.703 336 HA GLU 45 HA GLU 45 7.299 9.156 -1.603 337 1HB GLU 45 1HB GLU 45 9.342 11.031 -0.762 338 2HB GLU 45 2HB GLU 45 7.804 11.529 -0.086 339 1HG GLU 45 1HG GLU 45 7.469 9.098 0.676 340 2HG GLU 45 2HG GLU 45 9.127 8.794 0.195 341 H ALA 46 H ALA 46 7.489 12.028 -3.575 342 HA ALA 46 HA ALA 46 5.129 13.278 -2.604 343 1HB ALA 46 2HB ALA 46 6.929 14.497 -3.763 344 2HB ALA 46 3HB ALA 46 6.637 13.543 -5.237 345 3HB ALA 46 1HB ALA 46 5.388 14.662 -4.639 346 H GLU 47 H GLU 47 5.938 11.050 -5.334 347 HA GLU 47 HA GLU 47 3.441 11.081 -6.491 348 1HB GLU 47 1HB GLU 47 5.453 10.140 -7.571 349 2HB GLU 47 2HB GLU 47 5.514 8.845 -6.392 350 1HG GLU 47 1HG GLU 47 4.201 7.635 -7.794 351 2HG GLU 47 2HG GLU 47 2.882 8.707 -7.367 352 H LEU 48 H LEU 48 4.846 8.594 -4.228 353 HA LEU 48 HA LEU 48 2.651 7.032 -3.917 354 1HB LEU 48 1HB LEU 48 4.628 7.836 -1.777 355 2HB LEU 48 2HB LEU 48 3.575 6.436 -1.729 356 HG LEU 48 HG LEU 48 5.473 6.738 -4.032 357 1HD1 LEU 48 1HD1 LEU 48 6.532 7.069 -1.593 358 2HD1 LEU 48 2HD1 LEU 48 6.491 5.290 -1.645 359 3HD1 LEU 48 3HD1 LEU 48 7.362 6.198 -2.904 360 1HD2 LEU 48 1HD2 LEU 48 3.681 4.742 -3.047 361 2HD2 LEU 48 2HD2 LEU 48 4.691 4.721 -4.512 362 3HD2 LEU 48 3HD2 LEU 48 5.341 4.105 -2.974 363 H GLN 49 H GLN 49 3.500 9.879 -1.816 364 HA GLN 49 HA GLN 49 1.393 9.909 -0.211 365 1HB GLN 49 1HB GLN 49 3.391 11.699 -0.870 366 2HB GLN 49 2HB GLN 49 1.964 12.591 -1.360 367 1HG GLN 49 1HG GLN 49 2.157 13.203 0.901 368 2HG GLN 49 2HG GLN 49 0.992 11.896 0.983 369 1HE2 GLN 49 1HE2 GLN 49 1.358 10.934 2.847 370 2HE2 GLN 49 2HE2 GLN 49 2.869 10.293 3.402 371 H ASP 50 H ASP 50 1.448 11.114 -3.617 372 HA ASP 50 HA ASP 50 -1.119 12.145 -3.587 373 1HB ASP 50 1HB ASP 50 0.992 11.650 -5.494 374 2HB ASP 50 2HB ASP 50 -0.500 11.048 -6.190 375 H MET 51 H MET 51 0.261 8.900 -4.397 376 HA MET 51 HA MET 51 -2.128 7.814 -5.342 377 1HB MET 51 1HB MET 51 0.271 6.422 -4.025 378 2HB MET 51 2HB MET 51 -0.902 5.645 -5.070 379 1HG MET 51 1HG MET 51 -0.150 6.841 -7.008 380 2HG MET 51 2HG MET 51 0.690 8.044 -6.050 381 1HE MET 51 3HE MET 51 0.768 5.505 -8.197 382 2HE MET 51 1HE MET 51 2.486 5.868 -8.488 383 3HE MET 51 2HE MET 51 2.010 4.286 -7.824 384 H ILE 52 H ILE 52 -0.408 7.358 -2.164 385 HA ILE 52 HA ILE 52 -2.189 5.765 -0.910 386 HB ILE 52 HB ILE 52 -0.461 8.013 0.077 387 1HG1 ILE 52 1HG1 ILE 52 -0.288 5.002 0.023 388 2HG1 ILE 52 2HG1 ILE 52 0.819 6.177 -0.658 389 1HG2 ILE 52 1HG2 ILE 52 -2.665 6.791 1.501 390 2HG2 ILE 52 2HG2 ILE 52 -1.112 6.430 2.293 391 3HG2 ILE 52 3HG2 ILE 52 -1.585 8.119 1.989 392 1HD1 ILE 52 1HD1 ILE 52 0.951 6.965 1.932 393 2HD1 ILE 52 2HD1 ILE 52 0.534 5.252 2.177 394 3HD1 ILE 52 3HD1 ILE 52 1.999 5.689 1.266 395 H ASN 53 H ASN 53 -2.376 9.365 -1.232 396 HA ASN 53 HA ASN 53 -4.520 9.839 0.303 397 1HB ASN 53 1HB ASN 53 -3.361 11.049 -2.167 398 2HB ASN 53 2HB ASN 53 -5.045 11.457 -1.905 399 1HD2 ASN 53 2HD2 ASN 53 -2.502 13.752 -0.158 400 2HD2 ASN 53 1HD2 ASN 53 -2.499 12.998 -1.718 401 H GLU 54 H GLU 54 -4.421 8.688 -3.137 402 HA GLU 54 HA GLU 54 -7.086 8.781 -3.685 403 1HB GLU 54 1HB GLU 54 -5.065 6.687 -4.605 404 2HB GLU 54 2HB GLU 54 -6.601 7.014 -5.383 405 1HG GLU 54 1HG GLU 54 -5.642 9.540 -5.384 406 2HG GLU 54 2HG GLU 54 -4.105 8.700 -5.319 407 H VAL 55 H VAL 55 -5.217 6.383 -1.801 408 HA VAL 55 HA VAL 55 -7.725 4.925 -1.334 409 HB VAL 55 HB VAL 55 -5.765 3.283 -0.427 410 1HG1 VAL 55 3HG1 VAL 55 -7.450 3.495 -2.813 411 2HG1 VAL 55 1HG1 VAL 55 -5.972 2.543 -3.090 412 3HG1 VAL 55 2HG1 VAL 55 -7.092 2.088 -1.783 413 1HG2 VAL 55 1HG2 VAL 55 -4.048 4.937 -1.288 414 2HG2 VAL 55 2HG2 VAL 55 -3.878 3.268 -1.881 415 3HG2 VAL 55 3HG2 VAL 55 -4.587 4.517 -2.932 416 H ASP 56 H ASP 56 -7.037 7.468 -0.067 417 HA ASP 56 HA ASP 56 -7.229 6.533 2.625 418 1HB ASP 56 1HB ASP 56 -4.895 6.748 2.758 419 2HB ASP 56 2HB ASP 56 -4.838 8.026 1.560 420 H ALA 57 H ALA 57 -9.271 7.580 2.788 421 HA ALA 57 HA ALA 57 -9.452 10.348 1.900 422 1HB ALA 57 3HB ALA 57 -11.362 8.126 2.564 423 2HB ALA 57 1HB ALA 57 -11.924 9.806 2.732 424 3HB ALA 57 2HB ALA 57 -11.331 9.219 1.160 425 H ASP 58 H ASP 58 -8.628 8.538 4.678 426 HA ASP 58 HA ASP 58 -9.868 10.230 6.574 427 1HB ASP 58 1HB ASP 58 -9.139 8.654 8.049 428 2HB ASP 58 2HB ASP 58 -8.666 7.739 6.632 429 H GLY 59 H GLY 59 -6.692 9.937 4.916 430 1HA GLY 59 1HA GLY 59 -5.101 11.522 4.585 431 2HA GLY 59 2HA GLY 59 -6.019 12.659 5.553 432 H ASN 60 H ASN 60 -5.092 9.371 6.653 433 HA ASN 60 HA ASN 60 -3.905 10.511 8.955 434 1HB ASN 60 1HB ASN 60 -3.522 8.146 9.620 435 2HB ASN 60 2HB ASN 60 -5.157 8.349 9.022 436 1HD2 ASN 60 2HD2 ASN 60 -3.680 5.272 7.542 437 2HD2 ASN 60 1HD2 ASN 60 -3.983 5.890 9.132 438 H GLY 61 H GLY 61 -2.895 9.503 5.756 439 1HA GLY 61 1HA GLY 61 -0.781 10.144 4.921 440 2HA GLY 61 2HA GLY 61 -0.076 9.907 6.507 441 H THR 62 H THR 62 -1.643 7.326 6.926 442 HA THR 62 HA THR 62 0.068 5.649 5.217 443 HB THR 62 HB THR 62 0.185 4.152 7.084 444 HG1 THR 62 HG1 THR 62 -1.743 3.949 8.147 445 1HG2 THR 62 3HG2 THR 62 0.901 6.808 7.533 446 2HG2 THR 62 1HG2 THR 62 -0.217 6.487 8.880 447 3HG2 THR 62 2HG2 THR 62 1.226 5.469 8.660 448 H ILE 63 H ILE 63 -0.899 3.355 4.893 449 HA ILE 63 HA ILE 63 -3.707 3.747 4.122 450 HB ILE 63 HB ILE 63 -1.463 2.268 2.762 451 1HG1 ILE 63 1HG1 ILE 63 -2.281 4.871 2.509 452 2HG1 ILE 63 2HG1 ILE 63 -1.417 3.953 1.292 453 1HG2 ILE 63 3HG2 ILE 63 -4.438 1.963 2.444 454 2HG2 ILE 63 1HG2 ILE 63 -3.341 1.720 1.064 455 3HG2 ILE 63 2HG2 ILE 63 -3.171 0.715 2.524 456 1HD1 ILE 63 1HD1 ILE 63 -4.430 3.727 1.428 457 2HD1 ILE 63 2HD1 ILE 63 -3.689 5.155 0.667 458 3HD1 ILE 63 3HD1 ILE 63 -3.350 3.529 0.027 459 H ASP 64 H ASP 64 -5.206 2.182 4.703 460 HA ASP 64 HA ASP 64 -4.133 0.198 6.537 461 1HB ASP 64 1HB ASP 64 -7.007 1.170 6.182 462 2HB ASP 64 2HB ASP 64 -6.445 0.084 7.437 463 H PHE 65 H PHE 65 -6.321 -1.614 6.562 464 HA PHE 65 HA PHE 65 -5.910 -2.951 4.068 465 1HB PHE 65 1HB PHE 65 -6.094 -3.943 6.455 466 2HB PHE 65 2HB PHE 65 -7.795 -3.524 6.431 467 HD1 PHE 65 HD2 PHE 65 -5.701 -4.989 3.720 468 HD2 PHE 65 HD1 PHE 65 -8.909 -5.563 6.439 469 HE1 PHE 65 HE2 PHE 65 -6.228 -7.189 2.633 470 HE2 PHE 65 HE1 PHE 65 -9.435 -7.764 5.352 471 HZ PHE 65 HZ PHE 65 -8.089 -8.550 3.462 472 HA PRO 66 HA PRO 66 -10.528 -1.895 3.760 473 1HB PRO 66 1HB PRO 66 -11.562 0.064 5.360 474 2HB PRO 66 2HB PRO 66 -11.685 -1.643 5.734 475 1HG PRO 66 1HG PRO 66 -9.923 0.397 6.946 476 2HG PRO 66 2HG PRO 66 -10.368 -1.179 7.570 477 1HD PRO 66 1HD PRO 66 -7.875 -0.458 6.349 478 2HD PRO 66 2HD PRO 66 -8.364 -2.059 6.867 479 H GLU 67 H GLU 67 -8.021 0.326 4.055 480 HA GLU 67 HA GLU 67 -9.404 2.203 2.345 481 1HB GLU 67 1HB GLU 67 -6.574 2.453 3.432 482 2HB GLU 67 2HB GLU 67 -7.606 3.736 2.833 483 1HG GLU 67 1HG GLU 67 -9.032 3.659 4.741 484 2HG GLU 67 2HG GLU 67 -8.504 2.050 5.191 485 H PHE 68 H PHE 68 -7.039 -0.393 2.275 486 HA PHE 68 HA PHE 68 -6.052 0.439 -0.327 487 1HB PHE 68 1HB PHE 68 -4.305 -0.462 0.999 488 2HB PHE 68 2HB PHE 68 -5.393 -1.512 1.884 489 HD1 PHE 68 HD2 PHE 68 -3.361 -1.167 -1.141 490 HD2 PHE 68 HD1 PHE 68 -5.937 -3.725 1.056 491 HE1 PHE 68 HE2 PHE 68 -2.621 -3.115 -2.540 492 HE2 PHE 68 HE1 PHE 68 -5.198 -5.672 -0.343 493 HZ PHE 68 HZ PHE 68 -3.548 -5.344 -2.125 494 H LEU 69 H LEU 69 -8.124 -2.028 1.241 495 HA LEU 69 HA LEU 69 -8.338 -3.930 -0.643 496 1HB LEU 69 1HB LEU 69 -10.298 -2.678 1.231 497 2HB LEU 69 2HB LEU 69 -10.879 -3.846 0.060 498 HG LEU 69 HG LEU 69 -8.552 -4.504 1.857 499 1HD1 LEU 69 2HD1 LEU 69 -11.459 -4.390 2.578 500 2HD1 LEU 69 3HD1 LEU 69 -10.430 -5.672 3.263 501 3HD1 LEU 69 1HD1 LEU 69 -10.023 -3.961 3.539 502 1HD2 LEU 69 1HD2 LEU 69 -9.183 -5.913 -0.160 503 2HD2 LEU 69 2HD2 LEU 69 -9.079 -6.759 1.403 504 3HD2 LEU 69 3HD2 LEU 69 -10.669 -6.336 0.724 505 H THR 70 H THR 70 -9.695 -0.613 -0.766 506 HA THR 70 HA THR 70 -11.312 -0.968 -3.014 507 HB THR 70 HB THR 70 -11.489 0.990 -1.556 508 HG1 THR 70 HG1 THR 70 -10.191 1.703 -4.089 509 1HG2 THR 70 3HG2 THR 70 -8.731 0.972 -1.397 510 2HG2 THR 70 1HG2 THR 70 -8.992 2.258 -2.600 511 3HG2 THR 70 2HG2 THR 70 -9.733 2.385 -0.987 512 H MET 71 H MET 71 -7.821 -0.104 -2.737 513 HA MET 71 HA MET 71 -7.311 0.519 -5.296 514 1HB MET 71 1HB MET 71 -5.849 -0.187 -2.983 515 2HB MET 71 2HB MET 71 -5.307 -1.359 -4.168 516 1HG MET 71 1HG MET 71 -5.408 1.209 -5.479 517 2HG MET 71 2HG MET 71 -4.583 1.432 -3.949 518 1HE MET 71 2HE MET 71 -4.221 1.354 -7.085 519 2HE MET 71 3HE MET 71 -2.456 1.149 -7.178 520 3HE MET 71 1HE MET 71 -3.534 -0.148 -7.747 521 H MET 72 H MET 72 -7.381 -2.827 -3.889 522 HA MET 72 HA MET 72 -6.717 -4.108 -6.248 523 1HB MET 72 1HB MET 72 -8.423 -5.031 -3.868 524 2HB MET 72 2HB MET 72 -7.759 -6.117 -5.073 525 1HG MET 72 1HG MET 72 -5.638 -4.393 -4.064 526 2HG MET 72 2HG MET 72 -6.472 -5.136 -2.713 527 1HE MET 72 3HE MET 72 -4.539 -5.493 -5.909 528 2HE MET 72 1HE MET 72 -3.372 -5.689 -4.579 529 3HE MET 72 2HE MET 72 -3.682 -7.039 -5.697 530 H ALA 73 H ALA 73 -9.910 -3.187 -4.838 531 HA ALA 73 HA ALA 73 -11.566 -4.535 -6.555 532 1HB ALA 73 1HB ALA 73 -11.872 -2.803 -4.488 533 2HB ALA 73 2HB ALA 73 -12.314 -1.739 -5.845 534 3HB ALA 73 3HB ALA 73 -13.198 -3.262 -5.584 535 H ARG 74 H ARG 74 -9.904 -1.356 -6.997 536 HA ARG 74 HA ARG 74 -10.946 -1.302 -9.690 537 1HB ARG 74 1HB ARG 74 -9.729 0.719 -7.812 538 2HB ARG 74 2HB ARG 74 -9.520 1.002 -9.529 539 1HG ARG 74 1HG ARG 74 -11.706 1.590 -9.812 540 2HG ARG 74 2HG ARG 74 -12.284 0.215 -8.891 541 1HD ARG 74 1HD ARG 74 -12.901 2.343 -7.772 542 2HD ARG 74 2HD ARG 74 -11.819 1.405 -6.762 543 HE ARG 74 HE ARG 74 -10.210 3.089 -6.973 544 1HH1 ARG 74 2HH2 ARG 74 -12.574 3.439 -9.556 545 2HH1 ARG 74 1HH2 ARG 74 -11.920 4.939 -10.125 546 1HH2 ARG 74 2HH1 ARG 74 -9.346 5.067 -7.723 547 2HH2 ARG 74 1HH1 ARG 74 -10.071 5.870 -9.075 548 H LYS 75 H LYS 75 -9.203 -3.400 -9.444 549 HA LYS 75 HA LYS 75 -6.512 -2.950 -9.617 550 1HB LYS 75 1HB LYS 75 -8.386 -5.086 -10.293 551 2HB LYS 75 2HB LYS 75 -7.004 -5.063 -11.369 552 1HG LYS 75 1HG LYS 75 -5.445 -5.148 -9.479 553 2HG LYS 75 2HG LYS 75 -6.750 -4.938 -8.329 554 1HD LYS 75 1HD LYS 75 -6.627 -7.237 -8.217 555 2HD LYS 75 2HD LYS 75 -7.697 -7.138 -9.601 556 1HE LYS 75 1HE LYS 75 -5.529 -7.084 -11.053 557 2HE LYS 75 2HE LYS 75 -4.686 -7.591 -9.603 558 1HZ LYS 75 3HZ LYS 75 -7.041 -9.036 -10.566 559 2HZ LYS 75 1HZ LYS 75 -5.546 -9.373 -11.130 560 3HZ LYS 75 2HZ LYS 75 -5.880 -9.560 -9.543 No H/Q in entry = 560 Start of MODEL 10 1 H MET 0 H MET 0 -30.268 -20.382 5.439 2 HA MET 0 HA MET 0 -29.072 -20.931 2.877 3 1HB MET 0 1HB MET 0 -31.855 -20.474 3.984 4 2HB MET 0 2HB MET 0 -31.610 -20.165 2.277 5 1HG MET 0 1HG MET 0 -30.314 -22.662 2.847 6 2HG MET 0 2HG MET 0 -31.879 -22.720 3.635 7 1HE MET 0 2HE MET 0 -29.871 -22.712 0.447 8 2HE MET 0 3HE MET 0 -31.026 -22.336 -0.854 9 3HE MET 0 1HE MET 0 -30.494 -21.055 0.262 10 H ALA 1 H ALA 1 -27.989 -19.332 1.816 11 HA ALA 1 HA ALA 1 -29.229 -16.800 1.429 12 1HB ALA 1 3HB ALA 1 -27.521 -17.110 3.715 13 2HB ALA 1 1HB ALA 1 -26.678 -16.094 2.521 14 3HB ALA 1 2HB ALA 1 -28.296 -15.629 3.101 15 H ASP 2 H ASP 2 -27.272 -15.303 0.364 16 HA ASP 2 HA ASP 2 -25.497 -16.986 -1.124 17 1HB ASP 2 1HB ASP 2 -27.967 -16.525 -2.247 18 2HB ASP 2 2HB ASP 2 -27.092 -15.129 -2.843 19 H GLN 3 H GLN 3 -23.607 -15.798 -0.786 20 HA GLN 3 HA GLN 3 -22.994 -13.503 -1.920 21 1HB GLN 3 1HB GLN 3 -24.740 -12.944 0.396 22 2HB GLN 3 2HB GLN 3 -23.221 -12.072 0.466 23 1HG GLN 3 1HG GLN 3 -24.304 -12.002 -2.251 24 2HG GLN 3 2HG GLN 3 -25.501 -11.429 -1.106 25 1HE2 GLN 3 1HE2 GLN 3 -25.398 -9.322 -1.738 26 2HE2 GLN 3 2HE2 GLN 3 -24.052 -8.275 -1.432 27 H LEU 4 H LEU 4 -20.784 -13.393 -1.740 28 HA LEU 4 HA LEU 4 -19.421 -15.144 -0.074 29 1HB LEU 4 1HB LEU 4 -17.420 -13.793 -0.766 30 2HB LEU 4 2HB LEU 4 -18.384 -14.489 -2.053 31 HG LEU 4 HG LEU 4 -19.287 -11.798 -1.445 32 1HD1 LEU 4 2HD1 LEU 4 -16.376 -12.237 -1.535 33 2HD1 LEU 4 3HD1 LEU 4 -16.981 -10.997 -2.660 34 3HD1 LEU 4 1HD1 LEU 4 -17.320 -10.859 -0.918 35 1HD2 LEU 4 2HD2 LEU 4 -19.737 -13.144 -3.505 36 2HD2 LEU 4 3HD2 LEU 4 -19.118 -11.504 -3.813 37 3HD2 LEU 4 1HD2 LEU 4 -18.035 -12.908 -3.968 38 H THR 5 H THR 5 -17.439 -14.069 1.332 39 HA THR 5 HA THR 5 -18.403 -11.891 2.968 40 HB THR 5 HB THR 5 -18.888 -13.129 4.889 41 HG1 THR 5 HG1 THR 5 -17.255 -15.250 3.689 42 1HG2 THR 5 3HG2 THR 5 -19.183 -15.327 2.773 43 2HG2 THR 5 1HG2 THR 5 -19.977 -15.292 4.365 44 3HG2 THR 5 2HG2 THR 5 -20.418 -14.094 3.125 45 H GLU 6 H GLU 6 -16.648 -12.282 5.147 46 HA GLU 6 HA GLU 6 -14.426 -11.083 4.274 47 1HB GLU 6 1HB GLU 6 -14.824 -12.970 6.625 48 2HB GLU 6 2HB GLU 6 -13.321 -12.102 6.384 49 1HG GLU 6 1HG GLU 6 -14.797 -9.955 6.215 50 2HG GLU 6 2HG GLU 6 -16.089 -10.937 6.877 51 H GLU 7 H GLU 7 -15.161 -14.573 4.218 52 HA GLU 7 HA GLU 7 -12.822 -15.761 3.997 53 1HB GLU 7 1HB GLU 7 -15.299 -16.143 2.274 54 2HB GLU 7 2HB GLU 7 -13.929 -17.233 2.178 55 1HG GLU 7 1HG GLU 7 -14.430 -16.952 4.955 56 2HG GLU 7 2HG GLU 7 -16.020 -17.065 4.227 57 H GLN 8 H GLN 8 -14.307 -13.638 1.512 58 HA GLN 8 HA GLN 8 -12.344 -14.218 -0.424 59 1HB GLN 8 1HB GLN 8 -14.774 -12.658 -0.224 60 2HB GLN 8 2HB GLN 8 -13.521 -11.653 -0.925 61 1HG GLN 8 1HG GLN 8 -14.039 -12.684 -2.893 62 2HG GLN 8 2HG GLN 8 -13.110 -14.036 -2.275 63 1HE2 GLN 8 2HE2 GLN 8 -16.034 -15.842 -1.068 64 2HE2 GLN 8 1HE2 GLN 8 -14.476 -15.316 -0.524 65 H ILE 9 H ILE 9 -12.881 -11.550 1.958 66 HA ILE 9 HA ILE 9 -10.788 -9.928 1.166 67 HB ILE 9 HB ILE 9 -12.752 -9.833 3.026 68 1HG1 ILE 9 1HG1 ILE 9 -11.255 -7.736 3.825 69 2HG1 ILE 9 2HG1 ILE 9 -10.398 -8.141 2.351 70 1HG2 ILE 9 3HG2 ILE 9 -11.461 -11.256 4.585 71 2HG2 ILE 9 1HG2 ILE 9 -10.176 -10.024 4.610 72 3HG2 ILE 9 2HG2 ILE 9 -11.796 -9.634 5.237 73 1HD1 ILE 9 3HD1 ILE 9 -13.419 -8.002 2.295 74 2HD1 ILE 9 1HD1 ILE 9 -12.468 -6.497 2.260 75 3HD1 ILE 9 2HD1 ILE 9 -12.256 -7.714 0.979 76 H ALA 10 H ALA 10 -10.857 -12.793 3.346 77 HA ALA 10 HA ALA 10 -8.394 -12.668 4.457 78 1HB ALA 10 3HB ALA 10 -10.357 -14.463 4.473 79 2HB ALA 10 1HB ALA 10 -9.312 -15.279 3.286 80 3HB ALA 10 2HB ALA 10 -8.694 -14.918 4.916 81 H GLU 11 H GLU 11 -9.257 -13.544 1.083 82 HA GLU 11 HA GLU 11 -6.701 -14.435 0.404 83 1HB GLU 11 1HB GLU 11 -8.966 -13.329 -1.312 84 2HB GLU 11 2HB GLU 11 -7.527 -14.083 -1.968 85 1HG GLU 11 1HG GLU 11 -8.052 -16.169 -0.654 86 2HG GLU 11 2HG GLU 11 -9.521 -15.411 -0.072 87 H PHE 12 H PHE 12 -8.294 -11.224 0.407 88 HA PHE 12 HA PHE 12 -6.226 -9.943 -1.048 89 1HB PHE 12 1HB PHE 12 -8.513 -9.111 0.820 90 2HB PHE 12 2HB PHE 12 -7.465 -7.908 0.095 91 HD1 PHE 12 HD2 PHE 12 -7.125 -9.239 -2.613 92 HD2 PHE 12 HD1 PHE 12 -10.556 -8.551 -0.211 93 HE1 PHE 12 HE2 PHE 12 -8.563 -9.227 -4.670 94 HE2 PHE 12 HE1 PHE 12 -11.993 -8.539 -2.269 95 HZ PHE 12 HZ PHE 12 -10.980 -8.877 -4.474 96 H LYS 13 H LYS 13 -6.898 -10.603 2.405 97 HA LYS 13 HA LYS 13 -5.409 -8.832 3.725 98 1HB LYS 13 1HB LYS 13 -5.769 -11.795 4.104 99 2HB LYS 13 2HB LYS 13 -4.738 -10.892 5.194 100 1HG LYS 13 1HG LYS 13 -6.921 -9.231 5.128 101 2HG LYS 13 2HG LYS 13 -7.708 -10.771 4.852 102 1HD LYS 13 1HD LYS 13 -5.665 -10.559 7.073 103 2HD LYS 13 2HD LYS 13 -7.265 -9.893 7.333 104 1HE LYS 13 1HE LYS 13 -7.296 -12.610 6.131 105 2HE LYS 13 2HE LYS 13 -6.555 -12.556 7.719 106 1HZ LYS 13 3HZ LYS 13 -8.676 -11.080 8.156 107 2HZ LYS 13 1HZ LYS 13 -9.283 -12.021 6.967 108 3HZ LYS 13 2HZ LYS 13 -8.692 -12.704 8.327 109 H GLU 14 H GLU 14 -4.051 -11.810 2.146 110 HA GLU 14 HA GLU 14 -1.440 -11.298 2.757 111 1HB GLU 14 1HB GLU 14 -2.612 -12.653 0.288 112 2HB GLU 14 2HB GLU 14 -0.925 -12.749 0.754 113 1HG GLU 14 1HG GLU 14 -2.043 -13.491 3.118 114 2HG GLU 14 2HG GLU 14 -3.330 -14.006 2.046 115 H ALA 15 H ALA 15 -3.419 -10.166 -0.043 116 HA ALA 15 HA ALA 15 -1.462 -9.028 -1.572 117 1HB ALA 15 1HB ALA 15 -4.049 -9.259 -1.877 118 2HB ALA 15 2HB ALA 15 -4.115 -7.659 -1.100 119 3HB ALA 15 3HB ALA 15 -3.215 -7.873 -2.621 120 H PHE 16 H PHE 16 -3.356 -7.440 1.097 121 HA PHE 16 HA PHE 16 -2.096 -5.014 1.032 122 1HB PHE 16 1HB PHE 16 -4.106 -5.828 2.414 123 2HB PHE 16 2HB PHE 16 -2.990 -6.683 3.460 124 HD1 PHE 16 HD1 PHE 16 -3.735 -3.259 2.196 125 HD2 PHE 16 HD2 PHE 16 -2.131 -5.617 5.337 126 HE1 PHE 16 HE1 PHE 16 -3.488 -1.202 3.613 127 HE2 PHE 16 HE2 PHE 16 -1.884 -3.561 6.755 128 HZ PHE 16 HZ PHE 16 -2.565 -1.378 5.876 129 H SER 17 H SER 17 -0.969 -8.118 2.388 130 HA SER 17 HA SER 17 1.002 -7.109 4.030 131 1HB SER 17 1HB SER 17 0.075 -9.545 3.701 132 2HB SER 17 2HB SER 17 1.319 -9.694 2.475 133 HG SER 17 HG SER 17 2.874 -9.729 3.983 134 H LEU 18 H LEU 18 1.160 -8.251 0.581 135 HA LEU 18 HA LEU 18 3.750 -7.998 0.012 136 1HB LEU 18 1HB LEU 18 1.260 -7.805 -1.431 137 2HB LEU 18 2HB LEU 18 2.447 -6.722 -2.128 138 HG LEU 18 HG LEU 18 3.923 -9.017 -1.819 139 1HD1 LEU 18 3HD1 LEU 18 1.718 -10.131 -1.131 140 2HD1 LEU 18 1HD1 LEU 18 1.262 -9.992 -2.846 141 3HD1 LEU 18 2HD1 LEU 18 2.701 -10.931 -2.380 142 1HD2 LEU 18 2HD2 LEU 18 2.289 -8.150 -4.220 143 2HD2 LEU 18 3HD2 LEU 18 3.921 -7.589 -3.781 144 3HD2 LEU 18 1HD2 LEU 18 3.660 -9.285 -4.253 145 H PHE 19 H PHE 19 1.426 -5.203 -0.130 146 HA PHE 19 HA PHE 19 3.467 -3.317 -0.520 147 1HB PHE 19 1HB PHE 19 0.562 -3.351 0.435 148 2HB PHE 19 2HB PHE 19 1.444 -1.836 0.428 149 HD1 PHE 19 HD2 PHE 19 2.552 -1.163 -1.830 150 HD2 PHE 19 HD1 PHE 19 -0.544 -4.045 -1.487 151 HE1 PHE 19 HE2 PHE 19 1.989 -0.847 -4.255 152 HE2 PHE 19 HE1 PHE 19 -1.106 -3.729 -3.913 153 HZ PHE 19 HZ PHE 19 0.167 -2.134 -5.268 154 H ASP 20 H ASP 20 1.726 -4.511 2.411 155 HA ASP 20 HA ASP 20 3.063 -2.651 4.076 156 1HB ASP 20 1HB ASP 20 0.948 -3.352 4.882 157 2HB ASP 20 2HB ASP 20 1.242 -5.032 4.480 158 H LYS 21 H LYS 21 5.354 -3.042 3.853 159 HA LYS 21 HA LYS 21 6.270 -5.762 4.371 160 1HB LYS 21 1HB LYS 21 8.313 -5.135 3.385 161 2HB LYS 21 2HB LYS 21 7.074 -4.410 2.381 162 1HG LYS 21 1HG LYS 21 7.967 -2.360 2.737 163 2HG LYS 21 2HG LYS 21 7.666 -2.517 4.456 164 1HD LYS 21 1HD LYS 21 9.871 -4.034 4.383 165 2HD LYS 21 2HD LYS 21 10.185 -3.144 2.906 166 1HE LYS 21 1HE LYS 21 10.370 -1.074 4.021 167 2HE LYS 21 2HE LYS 21 9.383 -1.592 5.374 168 1HZ LYS 21 1HZ LYS 21 11.817 -3.071 4.988 169 2HZ LYS 21 2HZ LYS 21 12.014 -1.513 5.437 170 3HZ LYS 21 3HZ LYS 21 11.135 -2.526 6.369 171 H ASP 22 H ASP 22 5.020 -3.841 6.399 172 HA ASP 22 HA ASP 22 7.338 -3.749 8.168 173 1HB ASP 22 1HB ASP 22 6.586 -1.499 7.880 174 2HB ASP 22 2HB ASP 22 4.897 -1.965 7.905 175 H GLY 23 H GLY 23 4.439 -5.322 7.376 176 1HA GLY 23 1HA GLY 23 2.906 -6.552 8.501 177 2HA GLY 23 2HA GLY 23 4.317 -7.123 9.370 178 H ASP 24 H ASP 24 1.911 -4.410 9.320 179 HA ASP 24 HA ASP 24 1.956 -4.551 12.220 180 1HB ASP 24 1HB ASP 24 1.775 -2.055 12.312 181 2HB ASP 24 2HB ASP 24 3.306 -2.595 11.652 182 H GLY 25 H GLY 25 0.415 -3.389 9.158 183 1HA GLY 25 1HA GLY 25 -1.958 -4.332 9.062 184 2HA GLY 25 2HA GLY 25 -2.212 -3.360 10.497 185 H THR 26 H THR 26 0.073 -1.584 8.942 186 HA THR 26 HA THR 26 -1.909 -0.177 7.276 187 HB THR 26 HB THR 26 -1.138 1.900 8.196 188 HG1 THR 26 HG1 THR 26 1.134 1.457 8.121 189 1HG2 THR 26 3HG2 THR 26 -0.923 -0.131 10.482 190 2HG2 THR 26 1HG2 THR 26 -1.136 1.626 10.676 191 3HG2 THR 26 2HG2 THR 26 -2.430 0.648 9.943 192 H ILE 27 H ILE 27 -0.841 1.307 5.631 193 HA ILE 27 HA ILE 27 1.686 0.137 4.724 194 HB ILE 27 HB ILE 27 -0.842 0.489 3.121 195 1HG1 ILE 27 1HG1 ILE 27 0.917 -1.935 3.595 196 2HG1 ILE 27 2HG1 ILE 27 -0.590 -1.609 4.426 197 1HG2 ILE 27 3HG2 ILE 27 1.180 1.401 1.939 198 2HG2 ILE 27 1HG2 ILE 27 1.882 -0.233 2.019 199 3HG2 ILE 27 2HG2 ILE 27 0.371 0.043 1.120 200 1HD1 ILE 27 2HD1 ILE 27 -0.294 -1.905 1.400 201 2HD1 ILE 27 3HD1 ILE 27 -0.919 -3.154 2.503 202 3HD1 ILE 27 1HD1 ILE 27 -1.821 -1.637 2.276 203 H THR 28 H THR 28 2.928 1.906 5.338 204 HA THR 28 HA THR 28 2.047 4.573 4.857 205 HB THR 28 HB THR 28 3.588 3.868 6.712 206 HG1 THR 28 HG1 THR 28 3.864 6.033 6.111 207 1HG2 THR 28 3HG2 THR 28 4.917 2.280 4.997 208 2HG2 THR 28 1HG2 THR 28 5.834 3.773 4.687 209 3HG2 THR 28 2HG2 THR 28 5.775 3.090 6.330 210 H THR 29 H THR 29 4.649 5.574 3.865 211 HA THR 29 HA THR 29 4.036 5.222 1.047 212 HB THR 29 HB THR 29 5.781 7.138 0.937 213 HG1 THR 29 HG1 THR 29 6.290 7.956 3.083 214 1HG2 THR 29 1HG2 THR 29 3.425 7.563 2.850 215 2HG2 THR 29 2HG2 THR 29 4.283 8.831 1.942 216 3HG2 THR 29 3HG2 THR 29 3.302 7.625 1.076 217 H LYS 30 H LYS 30 6.882 4.869 3.259 218 HA LYS 30 HA LYS 30 8.632 3.938 1.333 219 1HB LYS 30 1HB LYS 30 8.539 4.221 4.192 220 2HB LYS 30 2HB LYS 30 9.210 2.650 3.802 221 1HG LYS 30 1HG LYS 30 10.187 4.995 2.188 222 2HG LYS 30 2HG LYS 30 10.718 4.898 3.855 223 1HD LYS 30 1HD LYS 30 11.101 2.286 3.025 224 2HD LYS 30 2HD LYS 30 11.421 3.160 1.540 225 1HE LYS 30 1HE LYS 30 12.688 4.072 4.146 226 2HE LYS 30 2HE LYS 30 13.394 2.748 3.242 227 1HZ LYS 30 2HZ LYS 30 12.864 4.723 1.418 228 2HZ LYS 30 3HZ LYS 30 13.522 5.489 2.701 229 3HZ LYS 30 1HZ LYS 30 14.328 4.267 1.978 230 H GLU 31 H GLU 31 6.049 2.280 3.169 231 HA GLU 31 HA GLU 31 6.886 -0.281 2.289 232 1HB GLU 31 1HB GLU 31 4.280 0.668 3.558 233 2HB GLU 31 2HB GLU 31 4.687 -1.014 3.284 234 1HG GLU 31 1HG GLU 31 6.693 -0.791 4.735 235 2HG GLU 31 2HG GLU 31 6.358 0.914 4.967 236 H LEU 32 H LEU 32 4.994 2.347 0.977 237 HA LEU 32 HA LEU 32 3.512 0.654 -0.825 238 1HB LEU 32 1HB LEU 32 2.734 2.834 0.272 239 2HB LEU 32 2HB LEU 32 3.740 3.654 -0.906 240 HG LEU 32 HG LEU 32 2.344 2.113 -2.599 241 1HD1 LEU 32 1HD1 LEU 32 0.497 2.489 -0.227 242 2HD1 LEU 32 2HD1 LEU 32 -0.029 2.034 -1.866 243 3HD1 LEU 32 3HD1 LEU 32 1.041 0.952 -0.942 244 1HD2 LEU 32 1HD2 LEU 32 2.181 4.844 -1.635 245 2HD2 LEU 32 2HD2 LEU 32 2.011 4.200 -3.285 246 3HD2 LEU 32 3HD2 LEU 32 0.600 4.255 -2.201 247 H GLY 33 H GLY 33 6.548 2.459 -0.713 248 1HA GLY 33 1HA GLY 33 6.898 2.372 -3.596 249 2HA GLY 33 2HA GLY 33 7.995 3.034 -2.400 250 H THR 34 H THR 34 8.075 0.713 -0.617 251 HA THR 34 HA THR 34 10.225 -0.644 -1.534 252 HB THR 34 HB THR 34 8.122 -0.980 0.520 253 HG1 THR 34 HG1 THR 34 10.271 -0.223 0.957 254 1HG2 THR 34 3HG2 THR 34 9.535 -3.392 -0.696 255 2HG2 THR 34 1HG2 THR 34 9.134 -3.342 1.037 256 3HG2 THR 34 2HG2 THR 34 7.837 -3.256 -0.179 257 H VAL 35 H VAL 35 6.856 -1.988 -1.733 258 HA VAL 35 HA VAL 35 7.445 -4.186 -3.214 259 HB VAL 35 HB VAL 35 5.082 -2.392 -2.929 260 1HG1 VAL 35 1HG1 VAL 35 5.060 -2.975 -5.324 261 2HG1 VAL 35 2HG1 VAL 35 5.171 -4.700 -4.902 262 3HG1 VAL 35 3HG1 VAL 35 3.731 -3.762 -4.440 263 1HG2 VAL 35 1HG2 VAL 35 5.654 -5.319 -2.372 264 2HG2 VAL 35 2HG2 VAL 35 5.457 -4.002 -1.190 265 3HG2 VAL 35 3HG2 VAL 35 4.062 -4.555 -2.147 266 H MET 36 H MET 36 7.021 -0.791 -4.326 267 HA MET 36 HA MET 36 7.111 -1.434 -7.043 268 1HB MET 36 1HB MET 36 7.962 1.171 -5.664 269 2HB MET 36 2HB MET 36 7.423 1.013 -7.323 270 1HG MET 36 1HG MET 36 5.373 -0.159 -5.697 271 2HG MET 36 2HG MET 36 5.822 1.345 -4.918 272 1HE MET 36 2HE MET 36 3.273 0.699 -5.743 273 2HE MET 36 3HE MET 36 2.637 2.105 -6.629 274 3HE MET 36 1HE MET 36 2.893 0.560 -7.476 275 H ARG 37 H ARG 37 9.616 -0.563 -4.612 276 HA ARG 37 HA ARG 37 11.701 -0.018 -6.192 277 1HB ARG 37 1HB ARG 37 11.690 -1.748 -3.668 278 2HB ARG 37 2HB ARG 37 13.136 -1.036 -4.356 279 1HG ARG 37 1HG ARG 37 10.732 0.691 -3.659 280 2HG ARG 37 2HG ARG 37 11.904 0.249 -2.433 281 1HD ARG 37 1HD ARG 37 13.483 1.694 -3.249 282 2HD ARG 37 2HD ARG 37 13.186 1.228 -4.912 283 HE ARG 37 HE ARG 37 10.935 2.681 -4.346 284 1HH1 ARG 37 2HH2 ARG 37 14.352 3.353 -3.842 285 2HH1 ARG 37 1HH2 ARG 37 14.168 5.069 -3.989 286 1HH2 ARG 37 2HH1 ARG 37 10.691 4.945 -4.540 287 2HH2 ARG 37 1HH1 ARG 37 12.071 5.981 -4.388 288 H SER 38 H SER 38 10.180 -3.188 -5.572 289 HA SER 38 HA SER 38 12.191 -4.388 -7.309 290 1HB SER 38 1HB SER 38 10.574 -5.462 -4.996 291 2HB SER 38 2HB SER 38 11.090 -6.572 -6.250 292 HG SER 38 HG SER 38 12.532 -5.926 -4.207 293 H LEU 39 H LEU 39 10.149 -2.850 -8.489 294 HA LEU 39 HA LEU 39 8.745 -4.930 -9.933 295 1HB LEU 39 1HB LEU 39 7.425 -3.796 -7.861 296 2HB LEU 39 2HB LEU 39 7.022 -2.663 -9.136 297 HG LEU 39 HG LEU 39 6.612 -5.646 -9.422 298 1HD1 LEU 39 1HD1 LEU 39 5.376 -4.450 -7.453 299 2HD1 LEU 39 2HD1 LEU 39 4.363 -3.776 -8.752 300 3HD1 LEU 39 3HD1 LEU 39 4.484 -5.540 -8.542 301 1HD2 LEU 39 3HD2 LEU 39 6.716 -4.126 -11.462 302 2HD2 LEU 39 1HD2 LEU 39 5.265 -5.141 -11.285 303 3HD2 LEU 39 2HD2 LEU 39 5.195 -3.410 -10.876 304 H GLY 40 H GLY 40 11.033 -3.278 -10.535 305 1HA GLY 40 1HA GLY 40 11.812 -1.956 -12.175 306 2HA GLY 40 2HA GLY 40 10.352 -2.347 -13.062 307 H GLN 41 H GLN 41 9.826 -0.898 -9.926 308 HA GLN 41 HA GLN 41 9.391 1.660 -11.262 309 1HB GLN 41 1HB GLN 41 7.673 0.126 -9.307 310 2HB GLN 41 2HB GLN 41 7.593 1.877 -9.311 311 1HG GLN 41 1HG GLN 41 7.199 1.754 -11.845 312 2HG GLN 41 2HG GLN 41 7.048 0.017 -11.668 313 1HE2 GLN 41 2HE2 GLN 41 3.936 0.033 -9.975 314 2HE2 GLN 41 1HE2 GLN 41 5.425 -0.821 -10.212 315 H ASN 42 H ASN 42 9.098 3.463 -9.360 316 HA ASN 42 HA ASN 42 10.430 3.099 -6.990 317 1HB ASN 42 1HB ASN 42 12.218 3.446 -9.278 318 2HB ASN 42 2HB ASN 42 12.372 4.825 -8.208 319 1HD2 ASN 42 2HD2 ASN 42 14.430 3.186 -5.984 320 2HD2 ASN 42 1HD2 ASN 42 13.908 4.630 -6.787 321 HA PRO 43 HA PRO 43 8.281 7.056 -7.980 322 1HB PRO 43 1HB PRO 43 6.066 6.734 -6.412 323 2HB PRO 43 2HB PRO 43 6.097 6.341 -8.119 324 1HG PRO 43 1HG PRO 43 6.148 4.514 -5.796 325 2HG PRO 43 2HG PRO 43 5.755 4.156 -7.466 326 1HD PRO 43 1HD PRO 43 8.209 3.546 -6.112 327 2HD PRO 43 2HD PRO 43 7.858 3.293 -7.810 328 H THR 44 H THR 44 9.031 8.853 -7.059 329 HA THR 44 HA THR 44 10.411 8.750 -4.680 330 HB THR 44 HB THR 44 10.155 11.274 -4.809 331 HG1 THR 44 HG1 THR 44 8.165 11.703 -5.711 332 1HG2 THR 44 3HG2 THR 44 11.597 9.770 -6.526 333 2HG2 THR 44 1HG2 THR 44 10.380 10.364 -7.680 334 3HG2 THR 44 2HG2 THR 44 11.395 11.520 -6.784 335 H GLU 45 H GLU 45 9.784 10.329 -2.739 336 HA GLU 45 HA GLU 45 7.664 8.978 -1.484 337 1HB GLU 45 1HB GLU 45 9.232 9.587 0.088 338 2HB GLU 45 2HB GLU 45 9.676 11.056 -0.758 339 1HG GLU 45 1HG GLU 45 7.684 12.216 0.046 340 2HG GLU 45 2HG GLU 45 7.011 10.733 0.691 341 H ALA 46 H ALA 46 7.803 11.667 -3.621 342 HA ALA 46 HA ALA 46 5.541 13.051 -2.503 343 1HB ALA 46 2HB ALA 46 7.551 14.038 -3.802 344 2HB ALA 46 3HB ALA 46 6.737 13.426 -5.261 345 3HB ALA 46 1HB ALA 46 5.926 14.625 -4.226 346 H GLU 47 H GLU 47 6.275 10.887 -5.306 347 HA GLU 47 HA GLU 47 3.766 11.006 -6.431 348 1HB GLU 47 1HB GLU 47 5.767 10.058 -7.549 349 2HB GLU 47 2HB GLU 47 5.773 8.709 -6.430 350 1HG GLU 47 1HG GLU 47 4.298 7.594 -7.738 351 2HG GLU 47 2HG GLU 47 3.121 8.875 -7.527 352 H LEU 48 H LEU 48 5.150 8.458 -4.227 353 HA LEU 48 HA LEU 48 2.977 6.881 -3.946 354 1HB LEU 48 1HB LEU 48 4.954 7.722 -1.823 355 2HB LEU 48 2HB LEU 48 3.854 6.365 -1.682 356 HG LEU 48 HG LEU 48 5.712 6.467 -4.032 357 1HD1 LEU 48 3HD1 LEU 48 6.520 5.792 -1.197 358 2HD1 LEU 48 1HD1 LEU 48 7.407 5.224 -2.631 359 3HD1 LEU 48 2HD1 LEU 48 7.261 6.968 -2.308 360 1HD2 LEU 48 2HD2 LEU 48 3.981 4.523 -2.711 361 2HD2 LEU 48 3HD2 LEU 48 4.659 4.530 -4.357 362 3HD2 LEU 48 1HD2 LEU 48 5.624 3.901 -2.999 363 H GLN 49 H GLN 49 3.730 9.738 -1.824 364 HA GLN 49 HA GLN 49 1.578 9.727 -0.274 365 1HB GLN 49 1HB GLN 49 3.576 11.498 -0.722 366 2HB GLN 49 2HB GLN 49 2.268 12.393 -1.469 367 1HG GLN 49 1HG GLN 49 1.943 13.139 0.687 368 2HG GLN 49 2HG GLN 49 0.995 11.671 0.813 369 1HE2 GLN 49 2HE2 GLN 49 2.831 10.681 3.572 370 2HE2 GLN 49 1HE2 GLN 49 1.306 11.019 2.823 371 H ASP 50 H ASP 50 1.719 11.000 -3.656 372 HA ASP 50 HA ASP 50 -0.837 12.013 -3.713 373 1HB ASP 50 1HB ASP 50 1.310 11.474 -5.560 374 2HB ASP 50 2HB ASP 50 -0.162 10.853 -6.279 375 H MET 51 H MET 51 0.519 8.737 -4.423 376 HA MET 51 HA MET 51 -1.839 7.652 -5.424 377 1HB MET 51 1HB MET 51 0.477 6.276 -3.951 378 2HB MET 51 2HB MET 51 -0.663 5.474 -5.013 379 1HG MET 51 1HG MET 51 0.165 6.650 -6.960 380 2HG MET 51 2HG MET 51 1.060 7.795 -5.981 381 1HE MET 51 1HE MET 51 2.333 6.395 -8.339 382 2HE MET 51 2HE MET 51 3.236 4.889 -8.048 383 3HE MET 51 3HE MET 51 1.463 4.849 -8.198 384 H ILE 52 H ILE 52 -0.353 7.585 -2.116 385 HA ILE 52 HA ILE 52 -2.338 6.001 -0.957 386 HB ILE 52 HB ILE 52 -0.290 7.930 0.085 387 1HG1 ILE 52 1HG1 ILE 52 -0.568 4.981 -0.228 388 2HG1 ILE 52 2HG1 ILE 52 0.829 6.013 -0.458 389 1HG2 ILE 52 2HG2 ILE 52 -2.358 6.433 1.714 390 2HG2 ILE 52 3HG2 ILE 52 -0.878 7.162 2.381 391 3HG2 ILE 52 1HG2 ILE 52 -2.115 8.193 1.624 392 1HD1 ILE 52 1HD1 ILE 52 0.985 6.327 2.032 393 2HD1 ILE 52 2HD1 ILE 52 -0.377 5.197 2.225 394 3HD1 ILE 52 3HD1 ILE 52 1.162 4.627 1.537 395 H ASN 53 H ASN 53 -2.253 9.380 -1.932 396 HA ASN 53 HA ASN 53 -4.403 10.104 -0.217 397 1HB ASN 53 1HB ASN 53 -2.738 11.428 -2.348 398 2HB ASN 53 2HB ASN 53 -4.328 12.112 -2.075 399 1HD2 ASN 53 2HD2 ASN 53 -1.649 13.656 0.124 400 2HD2 ASN 53 1HD2 ASN 53 -1.743 13.275 -1.563 401 H GLU 54 H GLU 54 -4.311 7.992 -2.694 402 HA GLU 54 HA GLU 54 -6.665 9.048 -4.038 403 1HB GLU 54 1HB GLU 54 -4.734 6.831 -4.851 404 2HB GLU 54 2HB GLU 54 -6.157 7.283 -5.769 405 1HG GLU 54 1HG GLU 54 -4.885 9.743 -5.343 406 2HG GLU 54 2HG GLU 54 -3.539 8.644 -5.574 407 H VAL 55 H VAL 55 -5.512 6.666 -1.767 408 HA VAL 55 HA VAL 55 -8.054 5.214 -2.013 409 HB VAL 55 HB VAL 55 -6.425 3.671 -0.443 410 1HG1 VAL 55 2HG1 VAL 55 -7.902 3.192 -2.537 411 2HG1 VAL 55 3HG1 VAL 55 -6.378 3.364 -3.439 412 3HG1 VAL 55 1HG1 VAL 55 -6.528 2.120 -2.176 413 1HG2 VAL 55 1HG2 VAL 55 -4.489 5.132 -0.867 414 2HG2 VAL 55 2HG2 VAL 55 -4.252 3.510 -1.561 415 3HG2 VAL 55 3HG2 VAL 55 -4.681 4.877 -2.618 416 H ASP 56 H ASP 56 -5.652 6.694 0.240 417 HA ASP 56 HA ASP 56 -7.299 6.247 2.482 418 1HB ASP 56 1HB ASP 56 -4.886 6.492 2.753 419 2HB ASP 56 2HB ASP 56 -4.902 8.059 1.967 420 H ALA 57 H ALA 57 -9.298 7.318 2.550 421 HA ALA 57 HA ALA 57 -9.451 10.016 1.466 422 1HB ALA 57 2HB ALA 57 -11.110 7.889 1.219 423 2HB ALA 57 3HB ALA 57 -11.824 8.656 2.658 424 3HB ALA 57 1HB ALA 57 -11.674 9.575 1.141 425 H ASP 58 H ASP 58 -8.877 8.370 4.430 426 HA ASP 58 HA ASP 58 -10.227 10.187 6.108 427 1HB ASP 58 1HB ASP 58 -9.577 8.739 7.748 428 2HB ASP 58 2HB ASP 58 -9.042 7.718 6.427 429 H GLY 59 H GLY 59 -6.947 9.830 4.686 430 1HA GLY 59 1HA GLY 59 -5.374 11.439 4.342 431 2HA GLY 59 2HA GLY 59 -6.337 12.594 5.242 432 H ASN 60 H ASN 60 -5.458 9.352 6.494 433 HA ASN 60 HA ASN 60 -4.331 10.585 8.783 434 1HB ASN 60 1HB ASN 60 -4.027 8.258 9.582 435 2HB ASN 60 2HB ASN 60 -5.629 8.444 8.896 436 1HD2 ASN 60 2HD2 ASN 60 -3.797 5.330 7.691 437 2HD2 ASN 60 1HD2 ASN 60 -3.996 6.063 9.248 438 H GLY 61 H GLY 61 -3.241 9.441 5.664 439 1HA GLY 61 1HA GLY 61 -1.087 10.009 4.879 440 2HA GLY 61 2HA GLY 61 -0.439 9.803 6.494 441 H THR 62 H THR 62 -1.821 7.292 7.131 442 HA THR 62 HA THR 62 -0.183 5.523 5.468 443 HB THR 62 HB THR 62 -1.592 4.778 8.055 444 HG1 THR 62 HG1 THR 62 -0.429 6.496 8.855 445 1HG2 THR 62 2HG2 THR 62 1.180 4.147 6.913 446 2HG2 THR 62 3HG2 THR 62 0.476 3.462 8.397 447 3HG2 THR 62 1HG2 THR 62 -0.222 3.056 6.811 448 H ILE 63 H ILE 63 -1.116 3.288 5.052 449 HA ILE 63 HA ILE 63 -3.932 3.631 4.286 450 HB ILE 63 HB ILE 63 -1.671 2.200 2.896 451 1HG1 ILE 63 1HG1 ILE 63 -2.292 4.804 2.724 452 2HG1 ILE 63 2HG1 ILE 63 -1.664 3.874 1.378 453 1HG2 ILE 63 3HG2 ILE 63 -4.647 1.959 2.536 454 2HG2 ILE 63 1HG2 ILE 63 -3.538 1.745 1.160 455 3HG2 ILE 63 2HG2 ILE 63 -3.403 0.687 2.585 456 1HD1 ILE 63 3HD1 ILE 63 -4.654 4.044 1.893 457 2HD1 ILE 63 1HD1 ILE 63 -3.797 5.298 0.965 458 3HD1 ILE 63 2HD1 ILE 63 -3.813 3.615 0.384 459 H ASP 64 H ASP 64 -5.394 2.036 4.856 460 HA ASP 64 HA ASP 64 -4.252 -0.024 6.566 461 1HB ASP 64 1HB ASP 64 -7.085 1.115 6.444 462 2HB ASP 64 2HB ASP 64 -6.579 -0.163 7.531 463 H PHE 65 H PHE 65 -6.478 -1.792 6.640 464 HA PHE 65 HA PHE 65 -6.213 -3.072 4.118 465 1HB PHE 65 1HB PHE 65 -6.500 -4.031 6.542 466 2HB PHE 65 2HB PHE 65 -8.191 -3.591 6.411 467 HD1 PHE 65 HD1 PHE 65 -6.037 -5.019 3.744 468 HD2 PHE 65 HD2 PHE 65 -9.242 -5.683 6.444 469 HE1 PHE 65 HE1 PHE 65 -6.522 -7.214 2.628 470 HE2 PHE 65 HE2 PHE 65 -9.727 -7.878 5.328 471 HZ PHE 65 HZ PHE 65 -8.361 -8.618 3.434 472 HA PRO 66 HA PRO 66 -10.750 -1.705 3.823 473 1HB PRO 66 1HB PRO 66 -11.651 0.298 5.450 474 2HB PRO 66 2HB PRO 66 -11.890 -1.403 5.800 475 1HG PRO 66 1HG PRO 66 -9.995 0.497 7.041 476 2HG PRO 66 2HG PRO 66 -10.547 -1.054 7.643 477 1HD PRO 66 1HD PRO 66 -8.009 -0.487 6.433 478 2HD PRO 66 2HD PRO 66 -8.606 -2.058 6.929 479 H GLU 67 H GLU 67 -8.072 0.279 4.082 480 HA GLU 67 HA GLU 67 -9.334 2.265 2.386 481 1HB GLU 67 1HB GLU 67 -6.514 2.417 3.498 482 2HB GLU 67 2HB GLU 67 -7.540 3.734 2.967 483 1HG GLU 67 1HG GLU 67 -8.949 3.581 4.890 484 2HG GLU 67 2HG GLU 67 -8.401 1.962 5.278 485 H PHE 68 H PHE 68 -7.205 -0.495 2.342 486 HA PHE 68 HA PHE 68 -6.082 0.303 -0.227 487 1HB PHE 68 1HB PHE 68 -4.388 -0.641 1.136 488 2HB PHE 68 2HB PHE 68 -5.526 -1.640 2.019 489 HD1 PHE 68 HD1 PHE 68 -6.464 -3.704 0.842 490 HD2 PHE 68 HD2 PHE 68 -3.108 -1.548 -0.606 491 HE1 PHE 68 HE1 PHE 68 -5.771 -5.696 -0.519 492 HE2 PHE 68 HE2 PHE 68 -2.415 -3.540 -1.967 493 HZ PHE 68 HZ PHE 68 -3.755 -5.591 -1.907 494 H LEU 69 H LEU 69 -8.335 -1.992 1.320 495 HA LEU 69 HA LEU 69 -8.555 -3.927 -0.571 496 1HB LEU 69 1HB LEU 69 -10.483 -2.640 1.317 497 2HB LEU 69 2HB LEU 69 -11.085 -3.797 0.147 498 HG LEU 69 HG LEU 69 -8.782 -4.471 1.977 499 1HD1 LEU 69 2HD1 LEU 69 -11.739 -4.590 2.580 500 2HD1 LEU 69 3HD1 LEU 69 -10.544 -5.612 3.414 501 3HD1 LEU 69 1HD1 LEU 69 -10.436 -3.839 3.533 502 1HD2 LEU 69 1HD2 LEU 69 -9.286 -5.873 -0.054 503 2HD2 LEU 69 2HD2 LEU 69 -9.314 -6.738 1.501 504 3HD2 LEU 69 3HD2 LEU 69 -10.841 -6.286 0.706 505 H THR 70 H THR 70 -9.537 -0.528 -0.764 506 HA THR 70 HA THR 70 -11.262 -0.845 -2.996 507 HB THR 70 HB THR 70 -11.548 1.113 -1.653 508 HG1 THR 70 HG1 THR 70 -9.742 1.912 -3.815 509 1HG2 THR 70 3HG2 THR 70 -8.518 1.358 -1.893 510 2HG2 THR 70 1HG2 THR 70 -9.528 2.771 -1.503 511 3HG2 THR 70 2HG2 THR 70 -9.508 1.363 -0.414 512 H MET 71 H MET 71 -7.747 -0.259 -2.604 513 HA MET 71 HA MET 71 -7.212 0.442 -5.195 514 1HB MET 71 1HB MET 71 -5.789 -0.312 -2.814 515 2HB MET 71 2HB MET 71 -5.138 -1.314 -4.096 516 1HG MET 71 1HG MET 71 -5.430 1.361 -5.144 517 2HG MET 71 2HG MET 71 -4.638 1.486 -3.587 518 1HE MET 71 1HE MET 71 -2.994 2.557 -4.795 519 2HE MET 71 2HE MET 71 -1.457 1.690 -5.030 520 3HE MET 71 3HE MET 71 -2.501 2.045 -6.427 521 H MET 72 H MET 72 -7.589 -2.815 -3.705 522 HA MET 72 HA MET 72 -6.740 -4.186 -6.003 523 1HB MET 72 1HB MET 72 -8.494 -5.037 -3.631 524 2HB MET 72 2HB MET 72 -7.807 -6.159 -4.789 525 1HG MET 72 1HG MET 72 -5.737 -4.367 -3.738 526 2HG MET 72 2HG MET 72 -6.573 -5.179 -2.429 527 1HE MET 72 1HE MET 72 -3.947 -5.015 -4.522 528 2HE MET 72 2HE MET 72 -3.179 -6.620 -4.552 529 3HE MET 72 3HE MET 72 -4.299 -6.145 -5.851 530 H ALA 73 H ALA 73 -9.941 -3.152 -4.715 531 HA ALA 73 HA ALA 73 -11.529 -4.572 -6.501 532 1HB ALA 73 2HB ALA 73 -12.205 -3.333 -4.389 533 2HB ALA 73 3HB ALA 73 -12.103 -1.826 -5.330 534 3HB ALA 73 1HB ALA 73 -13.276 -3.084 -5.788 535 H ARG 74 H ARG 74 -9.981 -1.314 -6.726 536 HA ARG 74 HA ARG 74 -10.764 -1.337 -9.529 537 1HB ARG 74 1HB ARG 74 -10.444 1.168 -9.424 538 2HB ARG 74 2HB ARG 74 -11.711 0.593 -8.360 539 1HG ARG 74 1HG ARG 74 -10.609 1.301 -6.496 540 2HG ARG 74 2HG ARG 74 -9.107 0.558 -7.006 541 1HD ARG 74 1HD ARG 74 -8.271 2.579 -7.615 542 2HD ARG 74 2HD ARG 74 -9.601 2.826 -8.730 543 HE ARG 74 HE ARG 74 -10.494 3.307 -6.030 544 1HH1 ARG 74 2HH2 ARG 74 -8.550 4.747 -8.586 545 2HH1 ARG 74 1HH2 ARG 74 -8.811 6.372 -8.044 546 1HH2 ARG 74 2HH1 ARG 74 -10.838 5.450 -5.315 547 2HH2 ARG 74 1HH1 ARG 74 -10.121 6.774 -6.171 548 H LYS 75 H LYS 75 -8.719 -2.885 -9.476 549 HA LYS 75 HA LYS 75 -6.200 -2.148 -8.916 550 1HB LYS 75 1HB LYS 75 -7.486 -3.951 -10.856 551 2HB LYS 75 2HB LYS 75 -5.876 -3.445 -11.325 552 1HG LYS 75 1HG LYS 75 -4.885 -4.315 -9.328 553 2HG LYS 75 2HG LYS 75 -6.424 -4.399 -8.492 554 1HD LYS 75 1HD LYS 75 -5.790 -6.073 -10.964 555 2HD LYS 75 2HD LYS 75 -5.490 -6.636 -9.332 556 1HE LYS 75 1HE LYS 75 -7.947 -6.222 -8.806 557 2HE LYS 75 2HE LYS 75 -8.199 -5.836 -10.496 558 1HZ LYS 75 2HZ LYS 75 -7.157 -8.082 -10.923 559 2HZ LYS 75 3HZ LYS 75 -7.403 -8.399 -9.340 560 3HZ LYS 75 1HZ LYS 75 -8.672 -8.073 -10.314 No H/Q in entry = 560 Start of MODEL 11 1 H MET 0 H MET 0 -26.241 -15.532 7.413 2 HA MET 0 HA MET 0 -27.888 -16.845 6.331 3 1HB MET 0 1HB MET 0 -29.248 -16.300 8.816 4 2HB MET 0 2HB MET 0 -30.253 -15.632 7.545 5 1HG MET 0 1HG MET 0 -30.894 -17.972 7.931 6 2HG MET 0 2HG MET 0 -30.180 -17.830 6.337 7 1HE MET 0 2HE MET 0 -29.817 -20.075 6.039 8 2HE MET 0 3HE MET 0 -28.144 -19.623 5.633 9 3HE MET 0 1HE MET 0 -28.458 -21.030 6.677 10 H ALA 1 H ALA 1 -27.355 -15.575 4.539 11 HA ALA 1 HA ALA 1 -29.189 -13.647 3.725 12 1HB ALA 1 1HB ALA 1 -27.426 -12.580 5.592 13 2HB ALA 1 2HB ALA 1 -26.686 -12.138 4.035 14 3HB ALA 1 3HB ALA 1 -28.361 -11.654 4.393 15 H ASP 2 H ASP 2 -28.153 -12.392 1.702 16 HA ASP 2 HA ASP 2 -26.563 -14.424 0.353 17 1HB ASP 2 1HB ASP 2 -28.732 -14.112 -0.704 18 2HB ASP 2 2HB ASP 2 -28.567 -12.368 -0.668 19 H GLN 3 H GLN 3 -24.415 -13.676 0.573 20 HA GLN 3 HA GLN 3 -23.439 -11.717 -0.959 21 1HB GLN 3 1HB GLN 3 -24.762 -10.535 1.337 22 2HB GLN 3 2HB GLN 3 -23.044 -10.203 1.435 23 1HG GLN 3 1HG GLN 3 -23.023 -8.943 -0.527 24 2HG GLN 3 2HG GLN 3 -24.335 -9.848 -1.257 25 1HE2 GLN 3 2HE2 GLN 3 -25.147 -6.297 0.133 26 2HE2 GLN 3 1HE2 GLN 3 -23.680 -6.916 -0.550 27 H LEU 4 H LEU 4 -21.204 -11.940 -0.982 28 HA LEU 4 HA LEU 4 -20.032 -13.975 0.447 29 1HB LEU 4 1HB LEU 4 -17.887 -12.945 -0.310 30 2HB LEU 4 2HB LEU 4 -19.059 -13.290 -1.566 31 HG LEU 4 HG LEU 4 -19.520 -10.611 -0.746 32 1HD1 LEU 4 3HD1 LEU 4 -16.586 -11.253 -1.103 33 2HD1 LEU 4 1HD1 LEU 4 -17.273 -9.624 -1.309 34 3HD1 LEU 4 2HD1 LEU 4 -17.377 -10.441 0.269 35 1HD2 LEU 4 2HD2 LEU 4 -19.510 -12.016 -3.057 36 2HD2 LEU 4 3HD2 LEU 4 -19.543 -10.239 -2.967 37 3HD2 LEU 4 1HD2 LEU 4 -18.003 -11.088 -3.240 38 H THR 5 H THR 5 -17.743 -13.276 1.704 39 HA THR 5 HA THR 5 -18.289 -11.199 3.641 40 HB THR 5 HB THR 5 -18.688 -12.590 5.477 41 HG1 THR 5 HG1 THR 5 -17.388 -14.660 3.850 42 1HG2 THR 5 1HG2 THR 5 -19.464 -14.484 3.196 43 2HG2 THR 5 2HG2 THR 5 -20.059 -14.568 4.872 44 3HG2 THR 5 3HG2 THR 5 -20.506 -13.191 3.837 45 H GLU 6 H GLU 6 -16.362 -12.052 5.557 46 HA GLU 6 HA GLU 6 -14.123 -10.973 4.511 47 1HB GLU 6 1HB GLU 6 -14.416 -13.011 6.757 48 2HB GLU 6 2HB GLU 6 -12.922 -12.154 6.433 49 1HG GLU 6 1HG GLU 6 -14.245 -9.966 6.644 50 2HG GLU 6 2HG GLU 6 -15.606 -10.920 7.198 51 H GLU 7 H GLU 7 -15.282 -14.328 4.281 52 HA GLU 7 HA GLU 7 -13.144 -15.776 3.771 53 1HB GLU 7 1HB GLU 7 -15.807 -15.685 2.323 54 2HB GLU 7 2HB GLU 7 -14.597 -16.873 1.880 55 1HG GLU 7 1HG GLU 7 -14.778 -16.861 4.756 56 2HG GLU 7 2HG GLU 7 -16.413 -16.915 4.128 57 H GLN 8 H GLN 8 -14.554 -13.325 1.544 58 HA GLN 8 HA GLN 8 -12.728 -13.962 -0.525 59 1HB GLN 8 1HB GLN 8 -15.116 -12.476 -0.276 60 2HB GLN 8 2HB GLN 8 -13.903 -11.283 -0.695 61 1HG GLN 8 1HG GLN 8 -13.378 -12.333 -2.749 62 2HG GLN 8 2HG GLN 8 -13.978 -13.894 -2.225 63 1HE2 GLN 8 1HE2 GLN 8 -16.343 -13.975 -1.684 64 2HE2 GLN 8 2HE2 GLN 8 -17.445 -13.153 -2.737 65 H ILE 9 H ILE 9 -13.059 -11.306 1.918 66 HA ILE 9 HA ILE 9 -10.901 -9.792 1.111 67 HB ILE 9 HB ILE 9 -12.797 -9.620 3.021 68 1HG1 ILE 9 1HG1 ILE 9 -11.064 -7.688 3.858 69 2HG1 ILE 9 2HG1 ILE 9 -10.380 -8.075 2.292 70 1HG2 ILE 9 1HG2 ILE 9 -10.211 -10.237 4.472 71 2HG2 ILE 9 2HG2 ILE 9 -11.626 -9.454 5.214 72 3HG2 ILE 9 3HG2 ILE 9 -11.756 -11.114 4.585 73 1HD1 ILE 9 2HD1 ILE 9 -13.369 -7.646 2.580 74 2HD1 ILE 9 3HD1 ILE 9 -12.263 -6.261 2.421 75 3HD1 ILE 9 1HD1 ILE 9 -12.354 -7.480 1.127 76 H ALA 10 H ALA 10 -11.048 -12.670 3.280 77 HA ALA 10 HA ALA 10 -8.574 -12.730 4.315 78 1HB ALA 10 1HB ALA 10 -10.592 -14.438 4.304 79 2HB ALA 10 2HB ALA 10 -9.648 -15.227 3.017 80 3HB ALA 10 3HB ALA 10 -8.937 -15.005 4.633 81 H GLU 11 H GLU 11 -9.504 -13.404 0.911 82 HA GLU 11 HA GLU 11 -6.979 -14.345 0.169 83 1HB GLU 11 1HB GLU 11 -9.238 -13.124 -1.475 84 2HB GLU 11 2HB GLU 11 -7.824 -13.884 -2.178 85 1HG GLU 11 1HG GLU 11 -8.377 -16.011 -0.961 86 2HG GLU 11 2HG GLU 11 -9.806 -15.247 -0.293 87 H PHE 12 H PHE 12 -8.554 -11.099 0.100 88 HA PHE 12 HA PHE 12 -6.526 -9.793 -1.295 89 1HB PHE 12 1HB PHE 12 -8.627 -9.022 0.802 90 2HB PHE 12 2HB PHE 12 -7.595 -7.800 0.086 91 HD1 PHE 12 HD2 PHE 12 -10.189 -10.320 -0.673 92 HD2 PHE 12 HD1 PHE 12 -8.032 -6.948 -2.082 93 HE1 PHE 12 HE2 PHE 12 -11.774 -10.116 -2.609 94 HE2 PHE 12 HE1 PHE 12 -9.617 -6.744 -4.018 95 HZ PHE 12 HZ PHE 12 -11.469 -8.330 -4.258 96 H LYS 13 H LYS 13 -6.903 -10.679 2.147 97 HA LYS 13 HA LYS 13 -5.244 -9.017 3.429 98 1HB LYS 13 1HB LYS 13 -5.495 -12.023 3.707 99 2HB LYS 13 2HB LYS 13 -4.622 -11.021 4.848 100 1HG LYS 13 1HG LYS 13 -6.823 -9.588 4.950 101 2HG LYS 13 2HG LYS 13 -7.590 -10.974 4.200 102 1HD LYS 13 1HD LYS 13 -7.121 -12.401 6.053 103 2HD LYS 13 2HD LYS 13 -5.866 -11.345 6.671 104 1HE LYS 13 1HE LYS 13 -8.570 -10.091 6.469 105 2HE LYS 13 2HE LYS 13 -8.452 -11.404 7.625 106 1HZ LYS 13 3HZ LYS 13 -6.230 -10.011 8.116 107 2HZ LYS 13 1HZ LYS 13 -7.264 -8.812 7.715 108 3HZ LYS 13 2HZ LYS 13 -7.631 -9.833 8.936 109 H GLU 14 H GLU 14 -4.074 -12.069 1.828 110 HA GLU 14 HA GLU 14 -1.440 -11.653 2.162 111 1HB GLU 14 1HB GLU 14 -2.910 -12.875 -0.210 112 2HB GLU 14 2HB GLU 14 -1.173 -12.988 -0.007 113 1HG GLU 14 1HG GLU 14 -1.959 -13.815 2.474 114 2HG GLU 14 2HG GLU 14 -3.361 -14.321 1.552 115 H ALA 15 H ALA 15 -3.607 -10.192 -0.302 116 HA ALA 15 HA ALA 15 -1.652 -9.083 -1.933 117 1HB ALA 15 3HB ALA 15 -4.429 -9.165 -1.796 118 2HB ALA 15 1HB ALA 15 -4.061 -7.439 -1.569 119 3HB ALA 15 2HB ALA 15 -3.471 -8.292 -3.015 120 H PHE 16 H PHE 16 -3.480 -7.575 0.829 121 HA PHE 16 HA PHE 16 -2.214 -5.162 0.838 122 1HB PHE 16 1HB PHE 16 -4.169 -6.108 2.259 123 2HB PHE 16 2HB PHE 16 -2.970 -6.902 3.260 124 HD1 PHE 16 HD1 PHE 16 -3.458 -3.460 1.870 125 HD2 PHE 16 HD2 PHE 16 -2.581 -5.853 5.263 126 HE1 PHE 16 HE1 PHE 16 -3.265 -1.392 3.279 127 HE2 PHE 16 HE2 PHE 16 -2.388 -3.785 6.672 128 HZ PHE 16 HZ PHE 16 -2.732 -1.579 5.663 129 H SER 17 H SER 17 -1.027 -8.318 2.001 130 HA SER 17 HA SER 17 1.010 -7.351 3.604 131 1HB SER 17 1HB SER 17 0.042 -9.780 3.243 132 2HB SER 17 2HB SER 17 1.268 -9.907 1.998 133 HG SER 17 HG SER 17 2.836 -10.000 3.484 134 H LEU 18 H LEU 18 1.023 -8.457 0.137 135 HA LEU 18 HA LEU 18 3.571 -8.224 -0.557 136 1HB LEU 18 1HB LEU 18 1.026 -7.952 -1.865 137 2HB LEU 18 2HB LEU 18 2.169 -6.828 -2.574 138 HG LEU 18 HG LEU 18 3.662 -9.137 -2.446 139 1HD1 LEU 18 1HD1 LEU 18 0.768 -9.879 -2.852 140 2HD1 LEU 18 2HD1 LEU 18 2.094 -10.838 -3.553 141 3HD1 LEU 18 3HD1 LEU 18 1.983 -10.629 -1.789 142 1HD2 LEU 18 2HD2 LEU 18 3.563 -7.588 -4.323 143 2HD2 LEU 18 3HD2 LEU 18 3.317 -9.264 -4.872 144 3HD2 LEU 18 1HD2 LEU 18 1.927 -8.160 -4.732 145 H PHE 19 H PHE 19 1.324 -5.428 -0.091 146 HA PHE 19 HA PHE 19 3.473 -3.579 -0.575 147 1HB PHE 19 1HB PHE 19 0.523 -3.503 0.242 148 2HB PHE 19 2HB PHE 19 1.474 -2.032 0.289 149 HD1 PHE 19 HD1 PHE 19 2.364 -1.063 -1.801 150 HD2 PHE 19 HD2 PHE 19 -0.187 -4.454 -1.845 151 HE1 PHE 19 HE1 PHE 19 1.919 -0.697 -4.244 152 HE2 PHE 19 HE2 PHE 19 -0.631 -4.088 -4.288 153 HZ PHE 19 HZ PHE 19 0.427 -2.214 -5.458 154 H ASP 20 H ASP 20 1.398 -4.596 2.224 155 HA ASP 20 HA ASP 20 2.765 -2.911 4.007 156 1HB ASP 20 1HB ASP 20 0.592 -3.505 4.700 157 2HB ASP 20 2HB ASP 20 0.785 -5.179 4.221 158 H LYS 21 H LYS 21 4.912 -3.296 4.582 159 HA LYS 21 HA LYS 21 5.617 -5.990 5.400 160 1HB LYS 21 1HB LYS 21 7.559 -6.144 4.011 161 2HB LYS 21 2HB LYS 21 6.174 -5.854 2.978 162 1HG LYS 21 1HG LYS 21 7.102 -3.947 2.177 163 2HG LYS 21 2HG LYS 21 7.261 -3.294 3.796 164 1HD LYS 21 1HD LYS 21 9.475 -3.452 2.699 165 2HD LYS 21 2HD LYS 21 9.408 -4.494 4.106 166 1HE LYS 21 1HE LYS 21 8.628 -6.343 2.363 167 2HE LYS 21 2HE LYS 21 9.341 -5.268 1.176 168 1HZ LYS 21 1HZ LYS 21 11.257 -5.324 2.973 169 2HZ LYS 21 2HZ LYS 21 10.628 -6.808 3.237 170 3HZ LYS 21 3HZ LYS 21 11.165 -6.401 1.749 171 H ASP 22 H ASP 22 5.130 -4.379 7.329 172 HA ASP 22 HA ASP 22 7.747 -3.501 8.161 173 1HB ASP 22 1HB ASP 22 7.110 -1.303 8.735 174 2HB ASP 22 2HB ASP 22 6.336 -1.539 7.181 175 H GLY 23 H GLY 23 4.207 -3.847 8.896 176 1HA GLY 23 1HA GLY 23 3.534 -5.427 10.570 177 2HA GLY 23 2HA GLY 23 4.938 -4.988 11.522 178 H ASP 24 H ASP 24 1.668 -4.061 10.521 179 HA ASP 24 HA ASP 24 1.040 -2.804 12.808 180 1HB ASP 24 1HB ASP 24 1.062 -0.351 12.066 181 2HB ASP 24 2HB ASP 24 2.619 -1.034 12.489 182 H GLY 25 H GLY 25 0.186 -4.355 10.315 183 1HA GLY 25 1HA GLY 25 -1.496 -4.463 8.799 184 2HA GLY 25 2HA GLY 25 -2.446 -3.864 10.144 185 H THR 26 H THR 26 0.158 -2.102 8.367 186 HA THR 26 HA THR 26 -1.853 -0.453 7.052 187 HB THR 26 HB THR 26 -0.824 0.312 9.524 188 HG1 THR 26 HG1 THR 26 -1.996 2.134 8.869 189 1HG2 THR 26 3HG2 THR 26 0.775 1.633 7.269 190 2HG2 THR 26 1HG2 THR 26 0.621 2.305 8.910 191 3HG2 THR 26 2HG2 THR 26 1.445 0.748 8.660 192 H ILE 27 H ILE 27 -0.961 0.893 5.329 193 HA ILE 27 HA ILE 27 1.638 -0.141 4.430 194 HB ILE 27 HB ILE 27 -0.878 0.326 2.831 195 1HG1 ILE 27 1HG1 ILE 27 0.769 -2.173 3.324 196 2HG1 ILE 27 2HG1 ILE 27 -0.780 -1.807 4.056 197 1HG2 ILE 27 3HG2 ILE 27 1.277 1.156 1.747 198 2HG2 ILE 27 1HG2 ILE 27 1.780 -0.551 1.699 199 3HG2 ILE 27 2HG2 ILE 27 0.313 -0.030 0.836 200 1HD1 ILE 27 1HD1 ILE 27 -0.353 -1.958 1.039 201 2HD1 ILE 27 2HD1 ILE 27 -0.913 -3.327 2.030 202 3HD1 ILE 27 3HD1 ILE 27 -1.907 -1.856 1.901 203 H THR 28 H THR 28 2.579 1.728 5.526 204 HA THR 28 HA THR 28 1.789 4.355 4.993 205 HB THR 28 HB THR 28 3.264 3.587 6.874 206 HG1 THR 28 HG1 THR 28 4.713 5.435 6.530 207 1HG2 THR 28 2HG2 THR 28 5.098 2.969 4.537 208 2HG2 THR 28 3HG2 THR 28 5.804 3.547 6.066 209 3HG2 THR 28 1HG2 THR 28 4.851 2.044 6.037 210 H THR 29 H THR 29 4.442 5.414 4.165 211 HA THR 29 HA THR 29 3.922 5.262 1.317 212 HB THR 29 HB THR 29 5.887 7.057 1.506 213 HG1 THR 29 HG1 THR 29 4.780 7.317 4.137 214 1HG2 THR 29 3HG2 THR 29 3.011 7.273 2.400 215 2HG2 THR 29 1HG2 THR 29 4.095 8.637 2.766 216 3HG2 THR 29 2HG2 THR 29 3.845 8.126 1.079 217 H LYS 30 H LYS 30 6.878 4.940 3.404 218 HA LYS 30 HA LYS 30 8.609 4.034 1.572 219 1HB LYS 30 1HB LYS 30 8.442 4.095 4.372 220 2HB LYS 30 2HB LYS 30 8.814 2.428 3.986 221 1HG LYS 30 1HG LYS 30 10.853 2.967 2.951 222 2HG LYS 30 2HG LYS 30 10.335 4.586 2.525 223 1HD LYS 30 1HD LYS 30 11.032 5.470 4.519 224 2HD LYS 30 2HD LYS 30 10.383 4.134 5.450 225 1HE LYS 30 1HE LYS 30 12.400 2.762 4.425 226 2HE LYS 30 2HE LYS 30 13.081 4.338 4.074 227 1HZ LYS 30 1HZ LYS 30 12.197 4.490 6.648 228 2HZ LYS 30 2HZ LYS 30 12.891 3.015 6.547 229 3HZ LYS 30 3HZ LYS 30 13.749 4.350 6.159 230 H GLU 31 H GLU 31 6.268 1.937 3.393 231 HA GLU 31 HA GLU 31 6.963 -0.395 2.131 232 1HB GLU 31 1HB GLU 31 4.296 0.506 3.297 233 2HB GLU 31 2HB GLU 31 4.618 -1.143 2.798 234 1HG GLU 31 1HG GLU 31 6.497 -1.302 4.403 235 2HG GLU 31 2HG GLU 31 6.292 0.380 4.850 236 H LEU 32 H LEU 32 4.592 2.156 1.200 237 HA LEU 32 HA LEU 32 3.537 0.738 -0.991 238 1HB LEU 32 1HB LEU 32 2.654 2.786 0.335 239 2HB LEU 32 2HB LEU 32 3.624 3.731 -0.778 240 HG LEU 32 HG LEU 32 2.253 2.137 -2.524 241 1HD1 LEU 32 2HD1 LEU 32 0.528 2.517 -0.081 242 2HD1 LEU 32 3HD1 LEU 32 -0.170 2.357 -1.711 243 3HD1 LEU 32 1HD1 LEU 32 0.821 1.042 -1.034 244 1HD2 LEU 32 3HD2 LEU 32 2.358 4.872 -1.784 245 2HD2 LEU 32 1HD2 LEU 32 1.809 4.157 -3.319 246 3HD2 LEU 32 2HD2 LEU 32 0.644 4.447 -2.005 247 H GLY 33 H GLY 33 6.528 2.480 -0.433 248 1HA GLY 33 1HA GLY 33 7.051 2.664 -3.319 249 2HA GLY 33 2HA GLY 33 7.946 3.450 -2.033 250 H THR 34 H THR 34 7.020 0.122 -1.437 251 HA THR 34 HA THR 34 9.814 -0.671 -1.904 252 HB THR 34 HB THR 34 7.781 -1.137 0.219 253 HG1 THR 34 HG1 THR 34 9.719 -0.353 0.982 254 1HG2 THR 34 1HG2 THR 34 9.552 -3.390 -0.860 255 2HG2 THR 34 2HG2 THR 34 8.886 -3.368 0.790 256 3HG2 THR 34 3HG2 THR 34 7.790 -3.444 -0.610 257 H VAL 35 H VAL 35 6.381 -1.671 -2.365 258 HA VAL 35 HA VAL 35 7.062 -4.025 -3.763 259 HB VAL 35 HB VAL 35 4.629 -2.397 -3.232 260 1HG1 VAL 35 1HG1 VAL 35 4.761 -4.521 -5.399 261 2HG1 VAL 35 2HG1 VAL 35 3.265 -3.831 -4.725 262 3HG1 VAL 35 3HG1 VAL 35 4.398 -2.792 -5.622 263 1HG2 VAL 35 2HG2 VAL 35 5.379 -5.320 -2.917 264 2HG2 VAL 35 3HG2 VAL 35 5.224 -4.094 -1.635 265 3HG2 VAL 35 1HG2 VAL 35 3.780 -4.647 -2.517 266 H MET 36 H MET 36 6.891 -0.609 -4.603 267 HA MET 36 HA MET 36 6.528 -1.016 -7.362 268 1HB MET 36 1HB MET 36 7.763 1.324 -5.803 269 2HB MET 36 2HB MET 36 7.240 1.409 -7.474 270 1HG MET 36 1HG MET 36 5.066 0.332 -5.881 271 2HG MET 36 2HG MET 36 5.653 1.791 -5.109 272 1HE MET 36 2HE MET 36 4.737 0.144 -8.422 273 2HE MET 36 3HE MET 36 3.159 0.557 -7.711 274 3HE MET 36 1HE MET 36 3.695 1.353 -9.210 275 H ARG 37 H ARG 37 9.393 -0.582 -5.215 276 HA ARG 37 HA ARG 37 11.167 -0.560 -7.419 277 1HB ARG 37 1HB ARG 37 12.941 -0.633 -5.645 278 2HB ARG 37 2HB ARG 37 11.752 0.616 -5.334 279 1HG ARG 37 1HG ARG 37 10.578 -0.851 -3.721 280 2HG ARG 37 2HG ARG 37 11.669 -2.172 -4.087 281 1HD ARG 37 1HD ARG 37 12.849 -1.383 -2.281 282 2HD ARG 37 2HD ARG 37 13.495 -0.231 -3.432 283 HE ARG 37 HE ARG 37 11.139 0.965 -2.574 284 1HH1 ARG 37 2HH2 ARG 37 13.991 -0.301 -0.948 285 2HH1 ARG 37 1HH2 ARG 37 13.875 0.798 0.386 286 1HH2 ARG 37 2HH1 ARG 37 10.986 2.416 -0.815 287 2HH2 ARG 37 1HH1 ARG 37 12.155 2.354 0.462 288 H SER 38 H SER 38 9.291 -2.977 -6.093 289 HA SER 38 HA SER 38 11.357 -4.998 -6.267 290 1HB SER 38 1HB SER 38 9.715 -4.921 -4.324 291 2HB SER 38 2HB SER 38 8.436 -5.316 -5.455 292 HG SER 38 HG SER 38 10.179 -7.171 -5.988 293 H LEU 39 H LEU 39 9.736 -3.353 -8.484 294 HA LEU 39 HA LEU 39 9.246 -5.731 -10.123 295 1HB LEU 39 1HB LEU 39 7.145 -4.586 -9.163 296 2HB LEU 39 2HB LEU 39 7.500 -3.288 -10.286 297 HG LEU 39 HG LEU 39 7.543 -5.885 -11.610 298 1HD1 LEU 39 1HD1 LEU 39 5.211 -5.215 -9.866 299 2HD1 LEU 39 2HD1 LEU 39 4.906 -5.935 -11.465 300 3HD1 LEU 39 3HD1 LEU 39 5.920 -6.794 -10.280 301 1HD2 LEU 39 2HD2 LEU 39 7.206 -3.315 -12.366 302 2HD2 LEU 39 3HD2 LEU 39 6.668 -4.714 -13.328 303 3HD2 LEU 39 1HD2 LEU 39 5.508 -3.846 -12.294 304 H GLY 40 H GLY 40 9.113 -2.126 -10.547 305 1HA GLY 40 1HA GLY 40 11.593 -1.924 -11.862 306 2HA GLY 40 2HA GLY 40 10.336 -2.153 -13.062 307 H GLN 41 H GLN 41 9.863 -0.531 -9.890 308 HA GLN 41 HA GLN 41 9.723 1.997 -11.323 309 1HB GLN 41 1HB GLN 41 7.607 0.717 -9.584 310 2HB GLN 41 2HB GLN 41 7.728 2.464 -9.638 311 1HG GLN 41 1HG GLN 41 6.849 2.576 -11.742 312 2HG GLN 41 2HG GLN 41 7.861 1.272 -12.331 313 1HE2 GLN 41 1HE2 GLN 41 4.808 2.201 -11.062 314 2HE2 GLN 41 2HE2 GLN 41 3.994 0.675 -11.162 315 H ASN 42 H ASN 42 9.264 3.796 -9.361 316 HA ASN 42 HA ASN 42 10.323 3.297 -6.891 317 1HB ASN 42 1HB ASN 42 12.478 2.862 -8.081 318 2HB ASN 42 2HB ASN 42 12.380 4.427 -8.863 319 1HD2 ASN 42 2HD2 ASN 42 14.619 4.497 -5.826 320 2HD2 ASN 42 1HD2 ASN 42 14.484 3.471 -7.215 321 HA PRO 43 HA PRO 43 8.536 7.400 -7.892 322 1HB PRO 43 1HB PRO 43 6.309 7.246 -6.315 323 2HB PRO 43 2HB PRO 43 6.310 6.826 -8.017 324 1HG PRO 43 1HG PRO 43 6.250 5.035 -5.665 325 2HG PRO 43 2HG PRO 43 5.829 4.678 -7.328 326 1HD PRO 43 1HD PRO 43 8.243 3.931 -5.970 327 2HD PRO 43 2HD PRO 43 7.871 3.675 -7.664 328 H THR 44 H THR 44 8.411 9.381 -6.694 329 HA THR 44 HA THR 44 10.146 9.194 -4.403 330 HB THR 44 HB THR 44 9.986 11.697 -4.558 331 HG1 THR 44 HG1 THR 44 8.415 12.511 -6.021 332 1HG2 THR 44 3HG2 THR 44 11.510 10.473 -6.192 333 2HG2 THR 44 1HG2 THR 44 10.155 10.442 -7.346 334 3HG2 THR 44 2HG2 THR 44 10.855 11.997 -6.837 335 H GLU 45 H GLU 45 9.675 10.078 -2.287 336 HA GLU 45 HA GLU 45 7.462 8.984 -1.178 337 1HB GLU 45 1HB GLU 45 9.680 10.405 -0.281 338 2HB GLU 45 2HB GLU 45 8.356 11.453 0.188 339 1HG GLU 45 1HG GLU 45 7.227 9.318 1.159 340 2HG GLU 45 2HG GLU 45 8.784 8.538 0.960 341 H ALA 46 H ALA 46 7.731 11.931 -3.042 342 HA ALA 46 HA ALA 46 5.420 13.202 -1.961 343 1HB ALA 46 1HB ALA 46 7.103 13.590 -4.462 344 2HB ALA 46 2HB ALA 46 5.711 14.622 -4.055 345 3HB ALA 46 3HB ALA 46 7.120 14.560 -2.970 346 H GLU 47 H GLU 47 6.168 11.148 -4.841 347 HA GLU 47 HA GLU 47 3.684 11.342 -6.004 348 1HB GLU 47 1HB GLU 47 5.534 10.411 -7.239 349 2HB GLU 47 2HB GLU 47 5.794 9.152 -6.049 350 1HG GLU 47 1HG GLU 47 4.314 7.789 -7.094 351 2HG GLU 47 2HG GLU 47 3.047 8.992 -6.952 352 H LEU 48 H LEU 48 4.976 8.668 -3.894 353 HA LEU 48 HA LEU 48 2.767 7.137 -3.697 354 1HB LEU 48 1HB LEU 48 4.687 7.855 -1.477 355 2HB LEU 48 2HB LEU 48 3.595 6.484 -1.470 356 HG LEU 48 HG LEU 48 5.517 6.735 -3.750 357 1HD1 LEU 48 3HD1 LEU 48 6.310 6.504 -0.929 358 2HD1 LEU 48 1HD1 LEU 48 6.954 5.220 -1.979 359 3HD1 LEU 48 2HD1 LEU 48 7.268 6.928 -2.368 360 1HD2 LEU 48 2HD2 LEU 48 3.670 4.930 -3.354 361 2HD2 LEU 48 3HD2 LEU 48 5.278 4.451 -3.949 362 3HD2 LEU 48 1HD2 LEU 48 4.862 4.231 -2.232 363 H GLN 49 H GLN 49 3.535 9.928 -1.495 364 HA GLN 49 HA GLN 49 1.349 9.893 0.026 365 1HB GLN 49 1HB GLN 49 3.403 11.652 -0.369 366 2HB GLN 49 2HB GLN 49 2.077 12.601 -1.010 367 1HG GLN 49 1HG GLN 49 1.815 13.199 1.198 368 2HG GLN 49 2HG GLN 49 0.878 11.719 1.261 369 1HE2 GLN 49 2HE2 GLN 49 2.818 10.459 3.821 370 2HE2 GLN 49 1HE2 GLN 49 1.269 10.778 3.115 371 H ASP 50 H ASP 50 1.596 11.185 -3.332 372 HA ASP 50 HA ASP 50 -0.972 12.258 -3.371 373 1HB ASP 50 1HB ASP 50 1.243 11.833 -5.203 374 2HB ASP 50 2HB ASP 50 -0.245 11.369 -6.004 375 H MET 51 H MET 51 0.457 9.043 -4.118 376 HA MET 51 HA MET 51 -1.876 8.021 -5.320 377 1HB MET 51 1HB MET 51 0.447 6.528 -3.982 378 2HB MET 51 2HB MET 51 -0.647 5.861 -5.177 379 1HG MET 51 1HG MET 51 0.235 7.260 -6.930 380 2HG MET 51 2HG MET 51 1.045 8.318 -5.791 381 1HE MET 51 3HE MET 51 0.908 5.519 -7.910 382 2HE MET 51 1HE MET 51 2.530 6.040 -8.426 383 3HE MET 51 2HE MET 51 2.313 4.463 -7.630 384 H ILE 52 H ILE 52 -0.329 7.570 -2.062 385 HA ILE 52 HA ILE 52 -2.095 5.818 -0.973 386 HB ILE 52 HB ILE 52 -0.413 8.031 0.113 387 1HG1 ILE 52 1HG1 ILE 52 -0.386 5.040 0.047 388 2HG1 ILE 52 2HG1 ILE 52 0.892 6.181 -0.319 389 1HG2 ILE 52 2HG2 ILE 52 -2.374 6.401 1.749 390 2HG2 ILE 52 3HG2 ILE 52 -1.034 7.363 2.420 391 3HG2 ILE 52 1HG2 ILE 52 -2.353 8.168 1.537 392 1HD1 ILE 52 1HD1 ILE 52 0.950 6.802 2.150 393 2HD1 ILE 52 2HD1 ILE 52 -0.183 5.460 2.441 394 3HD1 ILE 52 3HD1 ILE 52 1.441 5.128 1.793 395 H ASN 53 H ASN 53 -2.428 9.403 -1.267 396 HA ASN 53 HA ASN 53 -4.669 9.740 0.192 397 1HB ASN 53 1HB ASN 53 -3.326 11.124 -2.039 398 2HB ASN 53 2HB ASN 53 -5.061 11.365 -2.103 399 1HD2 ASN 53 2HD2 ASN 53 -2.903 13.622 0.300 400 2HD2 ASN 53 1HD2 ASN 53 -2.405 12.794 -1.138 401 H GLU 54 H GLU 54 -4.228 8.320 -3.058 402 HA GLU 54 HA GLU 54 -6.869 8.471 -3.895 403 1HB GLU 54 1HB GLU 54 -4.797 6.356 -4.626 404 2HB GLU 54 2HB GLU 54 -6.218 6.775 -5.561 405 1HG GLU 54 1HG GLU 54 -5.278 9.188 -5.643 406 2HG GLU 54 2HG GLU 54 -3.785 8.526 -5.008 407 H VAL 55 H VAL 55 -5.126 6.214 -1.761 408 HA VAL 55 HA VAL 55 -7.636 4.715 -1.453 409 HB VAL 55 HB VAL 55 -5.794 3.019 -0.496 410 1HG1 VAL 55 1HG1 VAL 55 -7.299 3.331 -2.952 411 2HG1 VAL 55 2HG1 VAL 55 -5.763 2.486 -3.257 412 3HG1 VAL 55 3HG1 VAL 55 -6.901 1.853 -2.044 413 1HG2 VAL 55 3HG2 VAL 55 -4.002 4.746 -1.185 414 2HG2 VAL 55 1HG2 VAL 55 -3.745 3.043 -1.637 415 3HG2 VAL 55 2HG2 VAL 55 -4.325 4.208 -2.851 416 H ASP 56 H ASP 56 -6.966 7.254 -0.162 417 HA ASP 56 HA ASP 56 -7.250 6.313 2.524 418 1HB ASP 56 1HB ASP 56 -4.885 6.533 2.622 419 2HB ASP 56 2HB ASP 56 -4.874 7.926 1.559 420 H ALA 57 H ALA 57 -9.269 7.367 2.730 421 HA ALA 57 HA ALA 57 -9.456 10.128 1.802 422 1HB ALA 57 2HB ALA 57 -11.367 7.890 2.398 423 2HB ALA 57 3HB ALA 57 -11.946 9.563 2.580 424 3HB ALA 57 1HB ALA 57 -11.315 9.006 1.012 425 H ASP 58 H ASP 58 -8.634 8.348 4.579 426 HA ASP 58 HA ASP 58 -9.952 10.008 6.458 427 1HB ASP 58 1HB ASP 58 -9.251 8.420 7.929 428 2HB ASP 58 2HB ASP 58 -8.689 7.534 6.524 429 H GLY 59 H GLY 59 -6.738 9.757 4.867 430 1HA GLY 59 1HA GLY 59 -5.148 11.348 4.580 431 2HA GLY 59 2HA GLY 59 -6.114 12.488 5.496 432 H ASN 60 H ASN 60 -5.146 9.224 6.652 433 HA ASN 60 HA ASN 60 -4.071 10.417 8.988 434 1HB ASN 60 1HB ASN 60 -3.655 8.058 9.685 435 2HB ASN 60 2HB ASN 60 -5.283 8.242 9.064 436 1HD2 ASN 60 2HD2 ASN 60 -4.023 5.163 7.563 437 2HD2 ASN 60 1HD2 ASN 60 -4.491 5.789 9.109 438 H GLY 61 H GLY 61 -2.936 9.403 5.837 439 1HA GLY 61 1HA GLY 61 -0.798 10.088 5.085 440 2HA GLY 61 2HA GLY 61 -0.148 9.827 6.692 441 H THR 62 H THR 62 -1.709 7.233 7.018 442 HA THR 62 HA THR 62 0.044 5.593 5.312 443 HB THR 62 HB THR 62 0.510 5.482 7.757 444 HG1 THR 62 HG1 THR 62 -1.072 3.166 6.953 445 1HG2 THR 62 3HG2 THR 62 -1.901 5.994 8.494 446 2HG2 THR 62 1HG2 THR 62 -2.314 4.334 8.002 447 3HG2 THR 62 2HG2 THR 62 -1.144 4.608 9.315 448 H ILE 63 H ILE 63 -0.917 3.266 5.029 449 HA ILE 63 HA ILE 63 -3.713 3.652 4.212 450 HB ILE 63 HB ILE 63 -1.488 2.084 2.912 451 1HG1 ILE 63 1HG1 ILE 63 -2.024 4.720 2.647 452 2HG1 ILE 63 2HG1 ILE 63 -1.336 3.724 1.380 453 1HG2 ILE 63 1HG2 ILE 63 -3.553 0.771 2.863 454 2HG2 ILE 63 2HG2 ILE 63 -4.425 2.158 2.168 455 3HG2 ILE 63 3HG2 ILE 63 -3.123 1.372 1.244 456 1HD1 ILE 63 1HD1 ILE 63 -4.332 4.182 1.743 457 2HD1 ILE 63 2HD1 ILE 63 -3.304 5.096 0.613 458 3HD1 ILE 63 3HD1 ILE 63 -3.541 3.346 0.384 459 H ASP 64 H ASP 64 -5.195 1.948 4.603 460 HA ASP 64 HA ASP 64 -4.156 0.027 6.533 461 1HB ASP 64 1HB ASP 64 -7.021 1.024 6.170 462 2HB ASP 64 2HB ASP 64 -6.475 -0.074 7.422 463 H PHE 65 H PHE 65 -6.344 -1.777 6.549 464 HA PHE 65 HA PHE 65 -5.927 -3.124 4.068 465 1HB PHE 65 1HB PHE 65 -6.172 -4.108 6.447 466 2HB PHE 65 2HB PHE 65 -7.861 -3.642 6.406 467 HD1 PHE 65 HD2 PHE 65 -5.757 -5.195 3.749 468 HD2 PHE 65 HD1 PHE 65 -9.059 -5.627 6.380 469 HE1 PHE 65 HE2 PHE 65 -6.336 -7.383 2.663 470 HE2 PHE 65 HE1 PHE 65 -9.637 -7.815 5.295 471 HZ PHE 65 HZ PHE 65 -8.269 -8.667 3.449 472 HA PRO 66 HA PRO 66 -10.520 -1.998 3.655 473 1HB PRO 66 1HB PRO 66 -11.567 -0.030 5.237 474 2HB PRO 66 2HB PRO 66 -11.720 -1.737 5.603 475 1HG PRO 66 1HG PRO 66 -9.961 0.277 6.863 476 2HG PRO 66 2HG PRO 66 -10.441 -1.295 7.470 477 1HD PRO 66 1HD PRO 66 -7.910 -0.603 6.311 478 2HD PRO 66 2HD PRO 66 -8.432 -2.199 6.812 479 H GLU 67 H GLU 67 -7.984 0.174 3.998 480 HA GLU 67 HA GLU 67 -9.304 2.091 2.285 481 1HB GLU 67 1HB GLU 67 -6.463 2.304 3.330 482 2HB GLU 67 2HB GLU 67 -7.536 3.599 2.837 483 1HG GLU 67 1HG GLU 67 -8.516 1.851 5.070 484 2HG GLU 67 2HG GLU 67 -7.152 2.885 5.443 485 H PHE 68 H PHE 68 -6.918 -0.511 2.247 486 HA PHE 68 HA PHE 68 -5.921 0.298 -0.351 487 1HB PHE 68 1HB PHE 68 -4.202 -0.649 0.974 488 2HB PHE 68 2HB PHE 68 -5.319 -1.668 1.861 489 HD1 PHE 68 HD2 PHE 68 -6.269 -3.719 0.649 490 HD2 PHE 68 HD1 PHE 68 -2.914 -1.539 -0.766 491 HE1 PHE 68 HE2 PHE 68 -5.572 -5.691 -0.739 492 HE2 PHE 68 HE1 PHE 68 -2.218 -3.511 -2.154 493 HZ PHE 68 HZ PHE 68 -3.555 -5.563 -2.124 494 H LEU 69 H LEU 69 -8.026 -2.172 1.181 495 HA LEU 69 HA LEU 69 -8.268 -4.052 -0.701 496 1HB LEU 69 1HB LEU 69 -10.244 -2.739 1.115 497 2HB LEU 69 2HB LEU 69 -10.820 -3.906 -0.059 498 HG LEU 69 HG LEU 69 -8.540 -4.621 1.769 499 1HD1 LEU 69 1HD1 LEU 69 -11.443 -4.386 2.500 500 2HD1 LEU 69 2HD1 LEU 69 -10.435 -5.661 3.226 501 3HD1 LEU 69 3HD1 LEU 69 -9.992 -3.949 3.434 502 1HD2 LEU 69 3HD2 LEU 69 -9.275 -6.031 -0.225 503 2HD2 LEU 69 1HD2 LEU 69 -9.155 -6.850 1.350 504 3HD2 LEU 69 2HD2 LEU 69 -10.748 -6.384 0.708 505 H THR 70 H THR 70 -9.713 -0.750 -0.823 506 HA THR 70 HA THR 70 -11.237 -1.051 -3.101 507 HB THR 70 HB THR 70 -11.310 0.930 -1.638 508 HG1 THR 70 HG1 THR 70 -10.115 1.514 -4.254 509 1HG2 THR 70 2HG2 THR 70 -8.624 0.877 -1.430 510 2HG2 THR 70 3HG2 THR 70 -8.735 1.956 -2.841 511 3HG2 THR 70 1HG2 THR 70 -9.519 2.411 -1.310 512 H MET 71 H MET 71 -7.745 -0.122 -2.867 513 HA MET 71 HA MET 71 -7.221 0.362 -5.430 514 1HB MET 71 1HB MET 71 -5.766 -0.309 -3.092 515 2HB MET 71 2HB MET 71 -5.223 -1.492 -4.265 516 1HG MET 71 1HG MET 71 -5.350 1.115 -5.548 517 2HG MET 71 2HG MET 71 -4.440 1.259 -4.058 518 1HE MET 71 1HE MET 71 -2.824 2.080 -5.584 519 2HE MET 71 2HE MET 71 -1.420 1.059 -5.977 520 3HE MET 71 3HE MET 71 -2.672 1.362 -7.206 521 H MET 72 H MET 72 -7.106 -2.958 -3.939 522 HA MET 72 HA MET 72 -6.513 -4.307 -6.237 523 1HB MET 72 1HB MET 72 -8.218 -5.106 -3.815 524 2HB MET 72 2HB MET 72 -7.662 -6.262 -5.008 525 1HG MET 72 1HG MET 72 -5.470 -4.548 -4.013 526 2HG MET 72 2HG MET 72 -6.250 -5.440 -2.722 527 1HE MET 72 2HE MET 72 -3.560 -5.314 -4.901 528 2HE MET 72 3HE MET 72 -3.204 -6.929 -5.560 529 3HE MET 72 1HE MET 72 -4.446 -5.910 -6.326 530 H ALA 73 H ALA 73 -9.712 -3.276 -4.935 531 HA ALA 73 HA ALA 73 -11.401 -4.674 -6.538 532 1HB ALA 73 2HB ALA 73 -11.868 -2.970 -4.668 533 2HB ALA 73 3HB ALA 73 -11.748 -1.722 -5.932 534 3HB ALA 73 1HB ALA 73 -12.998 -2.984 -6.043 535 H ARG 74 H ARG 74 -9.550 -1.674 -7.329 536 HA ARG 74 HA ARG 74 -10.490 -1.986 -10.056 537 1HB ARG 74 1HB ARG 74 -8.855 0.396 -9.179 538 2HB ARG 74 2HB ARG 74 -10.153 0.324 -10.354 539 1HG ARG 74 1HG ARG 74 -11.437 1.238 -8.699 540 2HG ARG 74 2HG ARG 74 -11.507 -0.392 -8.060 541 1HD ARG 74 1HD ARG 74 -10.780 0.872 -6.194 542 2HD ARG 74 2HD ARG 74 -9.285 0.199 -6.812 543 HE ARG 74 HE ARG 74 -10.187 3.024 -7.105 544 1HH1 ARG 74 2HH2 ARG 74 -7.725 0.573 -7.665 545 2HH1 ARG 74 1HH2 ARG 74 -6.484 1.722 -8.041 546 1HH2 ARG 74 2HH1 ARG 74 -8.551 4.540 -7.601 547 2HH2 ARG 74 1HH1 ARG 74 -6.958 3.994 -8.004 548 H LYS 75 H LYS 75 -8.815 -3.959 -9.788 549 HA LYS 75 HA LYS 75 -6.160 -3.737 -9.556 550 1HB LYS 75 1HB LYS 75 -7.950 -5.630 -10.539 551 2HB LYS 75 2HB LYS 75 -6.856 -5.365 -11.881 552 1HG LYS 75 1HG LYS 75 -5.239 -5.460 -9.514 553 2HG LYS 75 2HG LYS 75 -6.371 -6.793 -9.400 554 1HD LYS 75 1HD LYS 75 -5.058 -6.374 -12.070 555 2HD LYS 75 2HD LYS 75 -4.030 -6.957 -10.775 556 1HE LYS 75 1HE LYS 75 -5.371 -8.925 -10.441 557 2HE LYS 75 2HE LYS 75 -6.715 -8.267 -11.352 558 1HZ LYS 75 2HZ LYS 75 -5.049 -8.230 -13.260 559 2HZ LYS 75 3HZ LYS 75 -4.171 -9.273 -12.361 560 3HZ LYS 75 1HZ LYS 75 -5.686 -9.670 -12.824 No H/Q in entry = 560 Start of MODEL 12 1 H MET 0 H MET 0 -8.141 -23.599 2.238 2 HA MET 0 HA MET 0 -8.879 -24.637 0.024 3 1HB MET 0 1HB MET 0 -9.034 -26.890 1.358 4 2HB MET 0 2HB MET 0 -10.523 -26.259 2.032 5 1HG MET 0 1HG MET 0 -10.645 -25.847 -0.815 6 2HG MET 0 2HG MET 0 -10.101 -27.492 -0.555 7 1HE MET 0 2HE MET 0 -12.525 -26.185 -1.823 8 2HE MET 0 3HE MET 0 -14.021 -26.979 -1.275 9 3HE MET 0 1HE MET 0 -13.570 -25.384 -0.625 10 H ALA 1 H ALA 1 -10.163 -23.770 3.240 11 HA ALA 1 HA ALA 1 -12.700 -22.990 2.650 12 1HB ALA 1 3HB ALA 1 -11.152 -22.905 4.830 13 2HB ALA 1 1HB ALA 1 -11.016 -21.194 4.363 14 3HB ALA 1 2HB ALA 1 -12.617 -21.904 4.683 15 H ASP 2 H ASP 2 -13.139 -22.055 0.661 16 HA ASP 2 HA ASP 2 -11.906 -19.443 0.295 17 1HB ASP 2 1HB ASP 2 -12.263 -19.955 -2.242 18 2HB ASP 2 2HB ASP 2 -10.886 -20.678 -1.434 19 H GLN 3 H GLN 3 -13.357 -17.924 -0.979 20 HA GLN 3 HA GLN 3 -15.794 -18.464 -1.941 21 1HB GLN 3 1HB GLN 3 -15.856 -18.835 0.905 22 2HB GLN 3 2HB GLN 3 -16.775 -17.386 0.554 23 1HG GLN 3 1HG GLN 3 -18.049 -18.681 -1.215 24 2HG GLN 3 2HG GLN 3 -17.188 -20.128 -0.729 25 1HE2 GLN 3 2HE2 GLN 3 -19.463 -20.932 1.731 26 2HE2 GLN 3 1HE2 GLN 3 -18.337 -21.392 0.498 27 H LEU 4 H LEU 4 -16.838 -16.531 -2.660 28 HA LEU 4 HA LEU 4 -15.180 -14.264 -2.702 29 1HB LEU 4 1HB LEU 4 -17.274 -13.224 -3.740 30 2HB LEU 4 2HB LEU 4 -16.469 -14.534 -4.580 31 HG LEU 4 HG LEU 4 -18.560 -15.527 -2.807 32 1HD1 LEU 4 3HD1 LEU 4 -19.247 -13.084 -3.798 33 2HD1 LEU 4 1HD1 LEU 4 -19.837 -14.162 -5.085 34 3HD1 LEU 4 2HD1 LEU 4 -20.396 -14.387 -3.410 35 1HD2 LEU 4 3HD2 LEU 4 -17.609 -15.893 -5.601 36 2HD2 LEU 4 1HD2 LEU 4 -17.968 -17.093 -4.337 37 3HD2 LEU 4 2HD2 LEU 4 -19.296 -16.334 -5.246 38 H THR 5 H THR 5 -16.747 -12.030 -2.304 39 HA THR 5 HA THR 5 -17.357 -10.601 -0.713 40 HB THR 5 HB THR 5 -19.266 -11.248 0.488 41 HG1 THR 5 HG1 THR 5 -18.035 -13.900 0.681 42 1HG2 THR 5 1HG2 THR 5 -19.264 -12.367 -1.929 43 2HG2 THR 5 2HG2 THR 5 -19.053 -13.878 -1.012 44 3HG2 THR 5 3HG2 THR 5 -20.489 -12.862 -0.737 45 H GLU 6 H GLU 6 -17.708 -11.304 2.203 46 HA GLU 6 HA GLU 6 -15.448 -10.396 3.191 47 1HB GLU 6 1HB GLU 6 -17.425 -12.402 4.268 48 2HB GLU 6 2HB GLU 6 -15.989 -12.063 5.214 49 1HG GLU 6 1HG GLU 6 -16.677 -9.510 4.678 50 2HG GLU 6 2HG GLU 6 -18.266 -10.225 4.490 51 H GLU 7 H GLU 7 -16.083 -13.982 3.010 52 HA GLU 7 HA GLU 7 -13.747 -14.923 3.796 53 1HB GLU 7 1HB GLU 7 -15.533 -15.834 1.519 54 2HB GLU 7 2HB GLU 7 -14.105 -16.751 1.955 55 1HG GLU 7 1HG GLU 7 -15.578 -16.069 4.370 56 2HG GLU 7 2HG GLU 7 -16.673 -16.806 3.217 57 H GLN 8 H GLN 8 -14.412 -13.381 0.626 58 HA GLN 8 HA GLN 8 -12.016 -14.085 -0.575 59 1HB GLN 8 1HB GLN 8 -14.219 -12.979 -1.524 60 2HB GLN 8 2HB GLN 8 -13.417 -11.465 -1.155 61 1HG GLN 8 1HG GLN 8 -12.400 -11.668 -3.181 62 2HG GLN 8 2HG GLN 8 -11.398 -12.898 -2.436 63 1HE2 GLN 8 2HE2 GLN 8 -13.147 -15.701 -3.775 64 2HE2 GLN 8 1HE2 GLN 8 -12.269 -15.123 -2.399 65 H ILE 9 H ILE 9 -12.995 -11.055 1.180 66 HA ILE 9 HA ILE 9 -10.670 -9.658 0.941 67 HB ILE 9 HB ILE 9 -13.028 -9.303 2.192 68 1HG1 ILE 9 1HG1 ILE 9 -11.592 -7.269 3.287 69 2HG1 ILE 9 2HG1 ILE 9 -10.467 -7.818 2.060 70 1HG2 ILE 9 1HG2 ILE 9 -12.428 -10.655 4.128 71 2HG2 ILE 9 2HG2 ILE 9 -10.997 -9.637 4.417 72 3HG2 ILE 9 3HG2 ILE 9 -12.630 -8.947 4.586 73 1HD1 ILE 9 3HD1 ILE 9 -13.406 -7.252 1.475 74 2HD1 ILE 9 1HD1 ILE 9 -12.116 -6.042 1.281 75 3HD1 ILE 9 2HD1 ILE 9 -12.103 -7.523 0.294 76 H ALA 10 H ALA 10 -11.495 -12.190 3.393 77 HA ALA 10 HA ALA 10 -9.375 -12.095 5.023 78 1HB ALA 10 2HB ALA 10 -11.247 -14.114 4.061 79 2HB ALA 10 3HB ALA 10 -9.666 -14.833 4.454 80 3HB ALA 10 1HB ALA 10 -10.549 -13.898 5.685 81 H GLU 11 H GLU 11 -9.419 -13.273 1.633 82 HA GLU 11 HA GLU 11 -6.787 -14.267 1.761 83 1HB GLU 11 1HB GLU 11 -8.446 -13.470 -0.672 84 2HB GLU 11 2HB GLU 11 -7.003 -14.463 -0.703 85 1HG GLU 11 1HG GLU 11 -8.093 -16.218 0.606 86 2HG GLU 11 2HG GLU 11 -9.486 -15.200 0.910 87 H PHE 12 H PHE 12 -8.309 -11.216 0.553 88 HA PHE 12 HA PHE 12 -6.110 -10.058 -0.587 89 1HB PHE 12 1HB PHE 12 -8.571 -9.138 0.954 90 2HB PHE 12 2HB PHE 12 -7.395 -7.922 0.498 91 HD1 PHE 12 HD2 PHE 12 -9.582 -10.574 -0.902 92 HD2 PHE 12 HD1 PHE 12 -7.383 -7.027 -1.670 93 HE1 PHE 12 HE2 PHE 12 -10.620 -10.424 -3.182 94 HE2 PHE 12 HE1 PHE 12 -8.420 -6.877 -3.950 95 HZ PHE 12 HZ PHE 12 -10.026 -8.578 -4.679 96 H LYS 13 H LYS 13 -6.890 -10.517 2.853 97 HA LYS 13 HA LYS 13 -5.476 -8.626 4.115 98 1HB LYS 13 1HB LYS 13 -5.781 -11.572 4.692 99 2HB LYS 13 2HB LYS 13 -4.895 -10.521 5.779 100 1HG LYS 13 1HG LYS 13 -7.110 -8.986 5.460 101 2HG LYS 13 2HG LYS 13 -7.832 -10.548 5.131 102 1HD LYS 13 1HD LYS 13 -6.189 -10.959 7.414 103 2HD LYS 13 2HD LYS 13 -6.973 -9.416 7.689 104 1HE LYS 13 1HE LYS 13 -8.372 -12.049 7.018 105 2HE LYS 13 2HE LYS 13 -8.367 -11.253 8.579 106 1HZ LYS 13 3HZ LYS 13 -9.226 -9.347 6.864 107 2HZ LYS 13 1HZ LYS 13 -9.955 -10.699 6.308 108 3HZ LYS 13 2HZ LYS 13 -10.170 -10.234 7.858 109 H GLU 14 H GLU 14 -4.052 -11.704 2.809 110 HA GLU 14 HA GLU 14 -1.471 -11.146 3.486 111 1HB GLU 14 1HB GLU 14 -2.537 -12.660 1.062 112 2HB GLU 14 2HB GLU 14 -0.873 -12.725 1.608 113 1HG GLU 14 1HG GLU 14 -2.105 -13.309 3.963 114 2HG GLU 14 2HG GLU 14 -3.334 -13.902 2.864 115 H ALA 15 H ALA 15 -3.352 -10.160 0.574 116 HA ALA 15 HA ALA 15 -1.327 -9.133 -0.958 117 1HB ALA 15 2HB ALA 15 -3.864 -9.393 -1.403 118 2HB ALA 15 3HB ALA 15 -4.025 -7.789 -0.648 119 3HB ALA 15 1HB ALA 15 -3.040 -7.986 -2.117 120 H PHE 16 H PHE 16 -3.302 -7.408 1.561 121 HA PHE 16 HA PHE 16 -2.071 -4.976 1.393 122 1HB PHE 16 1HB PHE 16 -4.089 -5.676 2.778 123 2HB PHE 16 2HB PHE 16 -3.027 -6.563 3.853 124 HD1 PHE 16 HD2 PHE 16 -3.181 -3.104 2.429 125 HD2 PHE 16 HD1 PHE 16 -2.609 -5.534 5.861 126 HE1 PHE 16 HE2 PHE 16 -2.889 -1.047 3.837 127 HE2 PHE 16 HE1 PHE 16 -2.316 -3.477 7.268 128 HZ PHE 16 HZ PHE 16 -2.460 -1.258 6.240 129 H SER 17 H SER 17 -0.933 -7.983 2.953 130 HA SER 17 HA SER 17 1.016 -6.833 4.538 131 1HB SER 17 1HB SER 17 1.304 -9.548 3.209 132 2HB SER 17 2HB SER 17 1.886 -9.052 4.785 133 HG SER 17 HG SER 17 0.050 -10.197 5.257 134 H LEU 18 H LEU 18 1.192 -8.254 1.197 135 HA LEU 18 HA LEU 18 3.772 -8.092 0.605 136 1HB LEU 18 1HB LEU 18 1.284 -7.886 -0.848 137 2HB LEU 18 2HB LEU 18 2.519 -6.900 -1.607 138 HG LEU 18 HG LEU 18 3.927 -9.188 -1.210 139 1HD1 LEU 18 3HD1 LEU 18 1.630 -10.132 -0.345 140 2HD1 LEU 18 1HD1 LEU 18 1.295 -10.314 -2.084 141 3HD1 LEU 18 2HD1 LEU 18 2.705 -11.124 -1.359 142 1HD2 LEU 18 2HD2 LEU 18 3.263 -7.708 -3.320 143 2HD2 LEU 18 3HD2 LEU 18 3.989 -9.325 -3.479 144 3HD2 LEU 18 1HD2 LEU 18 2.230 -9.118 -3.658 145 H PHE 19 H PHE 19 1.533 -5.237 0.356 146 HA PHE 19 HA PHE 19 3.637 -3.441 -0.154 147 1HB PHE 19 1HB PHE 19 0.733 -3.325 0.801 148 2HB PHE 19 2HB PHE 19 1.665 -1.844 0.704 149 HD1 PHE 19 HD2 PHE 19 2.190 -4.555 -1.706 150 HD2 PHE 19 HD1 PHE 19 0.196 -0.884 -0.961 151 HE1 PHE 19 HE2 PHE 19 1.631 -4.364 -4.145 152 HE2 PHE 19 HE1 PHE 19 -0.363 -0.693 -3.400 153 HZ PHE 19 HZ PHE 19 0.361 -2.435 -4.963 154 H ASP 20 H ASP 20 1.802 -4.341 2.834 155 HA ASP 20 HA ASP 20 3.160 -2.453 4.408 156 1HB ASP 20 1HB ASP 20 1.076 -3.149 5.274 157 2HB ASP 20 2HB ASP 20 1.373 -4.837 4.911 158 H LYS 21 H LYS 21 5.460 -2.888 3.998 159 HA LYS 21 HA LYS 21 6.432 -5.534 4.688 160 1HB LYS 21 1HB LYS 21 7.199 -3.562 2.840 161 2HB LYS 21 2HB LYS 21 8.467 -3.563 4.048 162 1HG LYS 21 1HG LYS 21 7.403 -6.100 2.722 163 2HG LYS 21 2HG LYS 21 8.805 -5.221 2.142 164 1HD LYS 21 1HD LYS 21 10.105 -6.309 3.644 165 2HD LYS 21 2HD LYS 21 9.195 -5.583 4.955 166 1HE LYS 21 1HE LYS 21 8.493 -7.681 5.481 167 2HE LYS 21 2HE LYS 21 7.479 -7.608 4.054 168 1HZ LYS 21 1HZ LYS 21 9.400 -8.459 2.798 169 2HZ LYS 21 2HZ LYS 21 10.216 -8.662 4.198 170 3HZ LYS 21 3HZ LYS 21 8.848 -9.510 3.920 171 H ASP 22 H ASP 22 5.178 -3.503 6.641 172 HA ASP 22 HA ASP 22 7.507 -3.320 8.386 173 1HB ASP 22 1HB ASP 22 6.670 -1.105 8.011 174 2HB ASP 22 2HB ASP 22 5.000 -1.626 8.117 175 H GLY 23 H GLY 23 4.557 -4.915 7.702 176 1HA GLY 23 1HA GLY 23 3.101 -6.171 8.888 177 2HA GLY 23 2HA GLY 23 4.537 -6.684 9.751 178 H ASP 24 H ASP 24 2.037 -4.065 9.658 179 HA ASP 24 HA ASP 24 2.136 -4.098 12.556 180 1HB ASP 24 1HB ASP 24 1.894 -1.594 12.562 181 2HB ASP 24 2HB ASP 24 3.443 -2.138 11.947 182 H GLY 25 H GLY 25 0.545 -3.017 9.486 183 1HA GLY 25 1HA GLY 25 -1.817 -4.015 9.451 184 2HA GLY 25 2HA GLY 25 -2.067 -2.989 10.851 185 H THR 26 H THR 26 0.160 -1.214 9.252 186 HA THR 26 HA THR 26 -1.848 0.085 7.529 187 HB THR 26 HB THR 26 -1.147 2.200 8.389 188 HG1 THR 26 HG1 THR 26 0.939 2.348 9.398 189 1HG2 THR 26 1HG2 THR 26 -0.804 0.230 10.712 190 2HG2 THR 26 2HG2 THR 26 -1.020 1.989 10.886 191 3HG2 THR 26 3HG2 THR 26 -2.335 0.993 10.219 192 H ILE 27 H ILE 27 -0.732 1.619 5.894 193 HA ILE 27 HA ILE 27 1.784 0.430 4.998 194 HB ILE 27 HB ILE 27 -0.734 0.723 3.363 195 1HG1 ILE 27 1HG1 ILE 27 0.992 -1.679 4.036 196 2HG1 ILE 27 2HG1 ILE 27 -0.587 -1.324 4.708 197 1HG2 ILE 27 1HG2 ILE 27 1.418 1.547 2.242 198 2HG2 ILE 27 2HG2 ILE 27 1.937 -0.156 2.273 199 3HG2 ILE 27 3HG2 ILE 27 0.461 0.309 1.393 200 1HD1 ILE 27 2HD1 ILE 27 0.007 -1.798 1.750 201 2HD1 ILE 27 3HD1 ILE 27 -0.767 -2.957 2.857 202 3HD1 ILE 27 1HD1 ILE 27 -1.597 -1.441 2.433 203 H THR 28 H THR 28 3.178 2.109 5.162 204 HA THR 28 HA THR 28 2.219 4.806 4.790 205 HB THR 28 HB THR 28 3.832 4.245 6.586 206 HG1 THR 28 HG1 THR 28 4.043 6.324 5.530 207 1HG2 THR 28 1HG2 THR 28 5.081 2.660 4.535 208 2HG2 THR 28 2HG2 THR 28 6.212 3.970 4.948 209 3HG2 THR 28 3HG2 THR 28 5.619 2.872 6.218 210 H THR 29 H THR 29 4.876 5.659 3.649 211 HA THR 29 HA THR 29 4.079 5.276 0.871 212 HB THR 29 HB THR 29 5.995 7.125 0.723 213 HG1 THR 29 HG1 THR 29 5.072 7.552 3.421 214 1HG2 THR 29 3HG2 THR 29 3.331 7.589 2.164 215 2HG2 THR 29 1HG2 THR 29 4.385 8.895 1.571 216 3HG2 THR 29 2HG2 THR 29 3.633 7.766 0.418 217 H LYS 30 H LYS 30 7.054 4.994 2.923 218 HA LYS 30 HA LYS 30 8.653 3.935 0.924 219 1HB LYS 30 1HB LYS 30 9.179 4.811 3.335 220 2HB LYS 30 2HB LYS 30 8.947 3.141 3.810 221 1HG LYS 30 1HG LYS 30 10.648 2.416 2.132 222 2HG LYS 30 2HG LYS 30 10.868 4.080 1.627 223 1HD LYS 30 1HD LYS 30 12.247 4.534 3.381 224 2HD LYS 30 2HD LYS 30 11.135 3.831 4.538 225 1HE LYS 30 1HE LYS 30 12.190 1.778 4.520 226 2HE LYS 30 2HE LYS 30 12.531 1.847 2.803 227 1HZ LYS 30 3HZ LYS 30 14.148 3.694 3.530 228 2HZ LYS 30 1HZ LYS 30 14.049 2.992 5.001 229 3HZ LYS 30 2HZ LYS 30 14.578 2.130 3.719 230 H GLU 31 H GLU 31 6.122 2.474 2.944 231 HA GLU 31 HA GLU 31 6.916 -0.170 2.236 232 1HB GLU 31 1HB GLU 31 4.434 0.922 3.630 233 2HB GLU 31 2HB GLU 31 4.747 -0.787 3.402 234 1HG GLU 31 1HG GLU 31 6.805 -0.655 4.728 235 2HG GLU 31 2HG GLU 31 6.694 1.092 4.815 236 H LEU 32 H LEU 32 5.114 2.391 0.772 237 HA LEU 32 HA LEU 32 3.490 0.570 -0.805 238 1HB LEU 32 1HB LEU 32 2.720 2.786 0.254 239 2HB LEU 32 2HB LEU 32 3.599 3.565 -1.047 240 HG LEU 32 HG LEU 32 2.074 1.740 -2.427 241 1HD1 LEU 32 2HD1 LEU 32 0.923 1.820 0.137 242 2HD1 LEU 32 3HD1 LEU 32 -0.137 2.797 -0.907 243 3HD1 LEU 32 1HD1 LEU 32 0.241 1.114 -1.347 244 1HD2 LEU 32 2HD2 LEU 32 2.171 4.609 -2.012 245 2HD2 LEU 32 3HD2 LEU 32 1.828 3.676 -3.489 246 3HD2 LEU 32 1HD2 LEU 32 0.514 4.054 -2.351 247 H GLY 33 H GLY 33 6.431 2.546 -0.956 248 1HA GLY 33 1HA GLY 33 6.636 2.188 -3.850 249 2HA GLY 33 2HA GLY 33 7.675 3.150 -2.817 250 H THR 34 H THR 34 7.157 0.248 -1.182 251 HA THR 34 HA THR 34 9.795 -0.690 -1.914 252 HB THR 34 HB THR 34 7.836 -0.971 0.317 253 HG1 THR 34 HG1 THR 34 9.833 -0.615 1.343 254 1HG2 THR 34 2HG2 THR 34 9.561 -3.281 -0.671 255 2HG2 THR 34 3HG2 THR 34 9.245 -3.055 1.066 256 3HG2 THR 34 1HG2 THR 34 7.892 -3.336 -0.056 257 H VAL 35 H VAL 35 6.383 -1.590 -2.412 258 HA VAL 35 HA VAL 35 7.147 -4.132 -3.542 259 HB VAL 35 HB VAL 35 4.622 -2.676 -2.903 260 1HG1 VAL 35 3HG1 VAL 35 4.967 -4.600 -5.150 261 2HG1 VAL 35 1HG1 VAL 35 3.565 -4.851 -4.083 262 3HG1 VAL 35 2HG1 VAL 35 3.776 -3.296 -4.924 263 1HG2 VAL 35 2HG2 VAL 35 5.910 -5.307 -2.230 264 2HG2 VAL 35 3HG2 VAL 35 5.239 -4.059 -1.153 265 3HG2 VAL 35 1HG2 VAL 35 4.146 -5.121 -2.073 266 H MET 36 H MET 36 6.605 -0.807 -4.554 267 HA MET 36 HA MET 36 6.009 -1.429 -7.235 268 1HB MET 36 1HB MET 36 7.134 1.102 -5.910 269 2HB MET 36 2HB MET 36 6.524 1.046 -7.552 270 1HG MET 36 1HG MET 36 4.552 -0.117 -5.746 271 2HG MET 36 2HG MET 36 5.026 1.462 -5.152 272 1HE MET 36 3HE MET 36 2.130 1.058 -5.941 273 2HE MET 36 1HE MET 36 1.676 1.238 -7.653 274 3HE MET 36 2HE MET 36 2.507 -0.237 -7.103 275 H ARG 37 H ARG 37 9.001 -0.848 -5.363 276 HA ARG 37 HA ARG 37 10.557 -0.747 -7.755 277 1HB ARG 37 1HB ARG 37 12.490 -0.553 -6.162 278 2HB ARG 37 2HB ARG 37 11.241 0.631 -5.834 279 1HG ARG 37 1HG ARG 37 11.312 -0.126 -3.685 280 2HG ARG 37 2HG ARG 37 10.401 -1.503 -4.271 281 1HD ARG 37 1HD ARG 37 13.246 -1.873 -4.840 282 2HD ARG 37 2HD ARG 37 13.014 -1.524 -3.138 283 HE ARG 37 HE ARG 37 11.091 -3.484 -4.116 284 1HH1 ARG 37 1HH2 ARG 37 14.536 -4.717 -2.416 285 2HH1 ARG 37 2HH2 ARG 37 14.388 -3.078 -2.956 286 1HH2 ARG 37 2HH1 ARG 37 11.285 -5.646 -3.404 287 2HH2 ARG 37 1HH1 ARG 37 12.759 -6.188 -2.673 288 H SER 38 H SER 38 8.908 -3.210 -6.633 289 HA SER 38 HA SER 38 11.150 -5.074 -6.737 290 1HB SER 38 1HB SER 38 9.296 -4.816 -4.709 291 2HB SER 38 2HB SER 38 8.547 -6.062 -5.687 292 HG SER 38 HG SER 38 9.868 -7.289 -4.468 293 H LEU 39 H LEU 39 7.847 -4.232 -7.847 294 HA LEU 39 HA LEU 39 7.639 -6.558 -9.509 295 1HB LEU 39 1HB LEU 39 5.820 -5.036 -8.325 296 2HB LEU 39 2HB LEU 39 5.906 -4.154 -9.837 297 HG LEU 39 HG LEU 39 5.616 -7.085 -10.122 298 1HD1 LEU 39 2HD1 LEU 39 3.392 -5.413 -8.924 299 2HD1 LEU 39 3HD1 LEU 39 3.191 -7.039 -9.620 300 3HD1 LEU 39 1HD1 LEU 39 4.210 -6.807 -8.180 301 1HD2 LEU 39 2HD2 LEU 39 4.728 -4.593 -11.482 302 2HD2 LEU 39 3HD2 LEU 39 5.392 -6.102 -12.154 303 3HD2 LEU 39 1HD2 LEU 39 3.689 -6.029 -11.642 304 H GLY 40 H GLY 40 7.367 -3.071 -10.457 305 1HA GLY 40 1HA GLY 40 9.590 -3.157 -12.226 306 2HA GLY 40 2HA GLY 40 8.096 -3.438 -13.099 307 H GLN 41 H GLN 41 8.244 -1.468 -10.117 308 HA GLN 41 HA GLN 41 7.931 0.893 -11.796 309 1HB GLN 41 1HB GLN 41 6.244 -0.012 -9.446 310 2HB GLN 41 2HB GLN 41 6.360 1.690 -9.846 311 1HG GLN 41 1HG GLN 41 4.757 1.376 -11.417 312 2HG GLN 41 2HG GLN 41 5.899 0.409 -12.330 313 1HE2 GLN 41 2HE2 GLN 41 2.638 -1.237 -10.650 314 2HE2 GLN 41 1HE2 GLN 41 2.953 0.460 -10.807 315 H ASN 42 H ASN 42 7.929 2.912 -9.956 316 HA ASN 42 HA ASN 42 9.556 2.609 -7.774 317 1HB ASN 42 1HB ASN 42 11.195 2.150 -9.840 318 2HB ASN 42 2HB ASN 42 11.174 3.895 -10.000 319 1HD2 ASN 42 2HD2 ASN 42 13.959 3.837 -7.874 320 2HD2 ASN 42 1HD2 ASN 42 13.360 4.000 -9.491 321 HA PRO 43 HA PRO 43 7.565 6.646 -8.785 322 1HB PRO 43 1HB PRO 43 5.544 6.595 -6.946 323 2HB PRO 43 2HB PRO 43 5.336 6.095 -8.613 324 1HG PRO 43 1HG PRO 43 5.548 4.418 -6.188 325 2HG PRO 43 2HG PRO 43 4.927 3.988 -7.769 326 1HD PRO 43 1HD PRO 43 7.482 3.276 -6.676 327 2HD PRO 43 2HD PRO 43 6.907 2.945 -8.298 328 H THR 44 H THR 44 8.104 8.608 -7.936 329 HA THR 44 HA THR 44 9.967 8.564 -5.860 330 HB THR 44 HB THR 44 9.854 10.994 -6.104 331 HG1 THR 44 HG1 THR 44 7.278 10.228 -7.281 332 1HG2 THR 44 2HG2 THR 44 10.186 9.350 -8.326 333 2HG2 THR 44 3HG2 THR 44 8.853 10.410 -8.844 334 3HG2 THR 44 1HG2 THR 44 10.406 11.117 -8.338 335 H GLU 45 H GLU 45 9.592 10.238 -3.899 336 HA GLU 45 HA GLU 45 7.760 8.846 -2.269 337 1HB GLU 45 1HB GLU 45 9.573 9.527 -1.013 338 2HB GLU 45 2HB GLU 45 9.796 11.006 -1.926 339 1HG GLU 45 1HG GLU 45 8.046 12.142 -0.747 340 2HG GLU 45 2HG GLU 45 7.370 10.647 -0.130 341 H ALA 46 H ALA 46 7.574 11.621 -4.359 342 HA ALA 46 HA ALA 46 5.463 12.931 -2.940 343 1HB ALA 46 1HB ALA 46 6.875 13.232 -5.586 344 2HB ALA 46 2HB ALA 46 5.338 14.085 -5.310 345 3HB ALA 46 3HB ALA 46 6.729 14.390 -4.242 346 H GLU 47 H GLU 47 5.764 10.760 -5.820 347 HA GLU 47 HA GLU 47 3.119 10.821 -6.539 348 1HB GLU 47 1HB GLU 47 4.945 9.843 -7.910 349 2HB GLU 47 2HB GLU 47 5.109 8.520 -6.773 350 1HG GLU 47 1HG GLU 47 3.720 7.579 -8.424 351 2HG GLU 47 2HG GLU 47 2.558 8.094 -7.218 352 H LEU 48 H LEU 48 4.836 8.366 -4.469 353 HA LEU 48 HA LEU 48 2.712 6.798 -3.831 354 1HB LEU 48 1HB LEU 48 5.032 7.644 -2.092 355 2HB LEU 48 2HB LEU 48 3.945 6.319 -1.724 356 HG LEU 48 HG LEU 48 5.350 6.297 -4.367 357 1HD1 LEU 48 1HD1 LEU 48 6.680 5.667 -1.720 358 2HD1 LEU 48 2HD1 LEU 48 7.295 5.146 -3.307 359 3HD1 LEU 48 3HD1 LEU 48 7.173 6.880 -2.925 360 1HD2 LEU 48 3HD2 LEU 48 3.588 4.608 -3.458 361 2HD2 LEU 48 1HD2 LEU 48 5.041 4.008 -4.293 362 3HD2 LEU 48 2HD2 LEU 48 4.955 3.966 -2.515 363 H GLN 49 H GLN 49 3.853 9.648 -1.877 364 HA GLN 49 HA GLN 49 2.022 9.725 0.007 365 1HB GLN 49 1HB GLN 49 3.877 11.433 -0.592 366 2HB GLN 49 2HB GLN 49 2.669 12.247 -1.565 367 1HG GLN 49 1HG GLN 49 2.310 13.371 0.425 368 2HG GLN 49 2HG GLN 49 1.213 12.031 0.690 369 1HE2 GLN 49 2HE2 GLN 49 2.735 11.233 3.683 370 2HE2 GLN 49 1HE2 GLN 49 1.309 11.527 2.745 371 H ASP 50 H ASP 50 1.482 10.658 -3.424 372 HA ASP 50 HA ASP 50 -1.095 11.657 -2.970 373 1HB ASP 50 1HB ASP 50 0.726 11.405 -5.145 374 2HB ASP 50 2HB ASP 50 -0.712 10.540 -5.649 375 H MET 51 H MET 51 0.248 8.549 -4.312 376 HA MET 51 HA MET 51 -2.098 7.300 -4.869 377 1HB MET 51 1HB MET 51 0.493 6.124 -3.713 378 2HB MET 51 2HB MET 51 -0.742 5.176 -4.517 379 1HG MET 51 1HG MET 51 -0.333 6.215 -6.639 380 2HG MET 51 2HG MET 51 0.523 7.562 -5.916 381 1HE MET 51 1HE MET 51 1.607 6.502 -8.206 382 2HE MET 51 2HE MET 51 3.074 5.501 -8.082 383 3HE MET 51 3HE MET 51 1.474 4.727 -8.190 384 H ILE 52 H ILE 52 -0.504 7.801 -1.716 385 HA ILE 52 HA ILE 52 -2.087 5.904 -0.324 386 HB ILE 52 HB ILE 52 -0.362 8.218 0.547 387 1HG1 ILE 52 1HG1 ILE 52 0.051 5.305 0.080 388 2HG1 ILE 52 2HG1 ILE 52 1.127 6.658 -0.211 389 1HG2 ILE 52 2HG2 ILE 52 -2.416 7.210 2.060 390 2HG2 ILE 52 3HG2 ILE 52 -1.039 6.206 2.574 391 3HG2 ILE 52 1HG2 ILE 52 -0.942 7.980 2.693 392 1HD1 ILE 52 2HD1 ILE 52 1.047 6.849 2.470 393 2HD1 ILE 52 3HD1 ILE 52 0.645 5.121 2.327 394 3HD1 ILE 52 1HD1 ILE 52 2.169 5.739 1.647 395 H ASN 53 H ASN 53 -2.199 9.511 -0.693 396 HA ASN 53 HA ASN 53 -4.596 9.661 0.787 397 1HB ASN 53 1HB ASN 53 -4.543 12.033 0.222 398 2HB ASN 53 2HB ASN 53 -2.888 11.538 0.517 399 1HD2 ASN 53 2HD2 ASN 53 -2.095 13.208 -2.447 400 2HD2 ASN 53 1HD2 ASN 53 -2.041 13.180 -0.716 401 H GLU 54 H GLU 54 -3.936 8.340 -2.195 402 HA GLU 54 HA GLU 54 -6.099 9.529 -3.644 403 1HB GLU 54 1HB GLU 54 -3.998 7.438 -4.229 404 2HB GLU 54 2HB GLU 54 -5.405 7.541 -5.268 405 1HG GLU 54 1HG GLU 54 -4.407 10.223 -4.793 406 2HG GLU 54 2HG GLU 54 -3.069 9.208 -5.293 407 H VAL 55 H VAL 55 -5.611 6.938 -1.387 408 HA VAL 55 HA VAL 55 -8.209 5.804 -2.166 409 HB VAL 55 HB VAL 55 -7.140 3.809 -0.773 410 1HG1 VAL 55 1HG1 VAL 55 -7.985 3.922 -3.193 411 2HG1 VAL 55 2HG1 VAL 55 -6.286 4.191 -3.649 412 3HG1 VAL 55 3HG1 VAL 55 -6.756 2.691 -2.814 413 1HG2 VAL 55 1HG2 VAL 55 -5.016 5.330 -0.537 414 2HG2 VAL 55 2HG2 VAL 55 -4.836 3.588 -0.855 415 3HG2 VAL 55 3HG2 VAL 55 -4.661 4.758 -2.185 416 H ASP 56 H ASP 56 -5.949 6.686 0.505 417 HA ASP 56 HA ASP 56 -7.745 6.109 2.539 418 1HB ASP 56 1HB ASP 56 -5.365 6.411 2.986 419 2HB ASP 56 2HB ASP 56 -5.396 8.044 2.349 420 H ALA 57 H ALA 57 -9.606 7.238 3.139 421 HA ALA 57 HA ALA 57 -9.895 9.961 2.080 422 1HB ALA 57 1HB ALA 57 -11.578 7.632 2.069 423 2HB ALA 57 2HB ALA 57 -12.362 8.890 3.055 424 3HB ALA 57 3HB ALA 57 -11.898 9.238 1.372 425 H ASP 58 H ASP 58 -9.078 8.218 4.857 426 HA ASP 58 HA ASP 58 -10.554 9.797 6.700 427 1HB ASP 58 1HB ASP 58 -9.893 8.181 8.151 428 2HB ASP 58 2HB ASP 58 -9.153 7.375 6.782 429 H GLY 59 H GLY 59 -7.278 9.679 5.229 430 1HA GLY 59 1HA GLY 59 -5.752 11.346 5.008 431 2HA GLY 59 2HA GLY 59 -6.771 12.418 5.947 432 H ASN 60 H ASN 60 -5.821 9.163 7.087 433 HA ASN 60 HA ASN 60 -4.832 10.269 9.468 434 1HB ASN 60 1HB ASN 60 -4.250 7.903 10.024 435 2HB ASN 60 2HB ASN 60 -5.874 8.013 9.374 436 1HD2 ASN 60 2HD2 ASN 60 -4.061 5.163 7.788 437 2HD2 ASN 60 1HD2 ASN 60 -4.445 5.662 9.402 438 H GLY 61 H GLY 61 -3.511 9.477 6.311 439 1HA GLY 61 1HA GLY 61 -1.407 10.389 5.682 440 2HA GLY 61 2HA GLY 61 -0.795 10.076 7.294 441 H THR 62 H THR 62 -2.213 7.360 7.365 442 HA THR 62 HA THR 62 -0.281 5.959 5.638 443 HB THR 62 HB THR 62 -0.576 4.146 7.456 444 HG1 THR 62 HG1 THR 62 -1.465 5.252 9.466 445 1HG2 THR 62 1HG2 THR 62 1.371 5.800 7.493 446 2HG2 THR 62 2HG2 THR 62 0.368 6.861 8.511 447 3HG2 THR 62 3HG2 THR 62 0.855 5.257 9.108 448 H ILE 63 H ILE 63 -1.132 3.504 5.386 449 HA ILE 63 HA ILE 63 -3.901 3.771 4.441 450 HB ILE 63 HB ILE 63 -1.529 2.443 3.139 451 1HG1 ILE 63 1HG1 ILE 63 -2.530 5.023 2.922 452 2HG1 ILE 63 2HG1 ILE 63 -1.444 4.222 1.803 453 1HG2 ILE 63 1HG2 ILE 63 -4.475 2.139 2.528 454 2HG2 ILE 63 2HG2 ILE 63 -3.182 1.759 1.365 455 3HG2 ILE 63 3HG2 ILE 63 -3.288 0.865 2.901 456 1HD1 ILE 63 3HD1 ILE 63 -4.476 3.958 1.626 457 2HD1 ILE 63 1HD1 ILE 63 -3.551 5.202 0.752 458 3HD1 ILE 63 2HD1 ILE 63 -3.274 3.478 0.404 459 H ASP 64 H ASP 64 -5.321 2.112 4.943 460 HA ASP 64 HA ASP 64 -4.223 0.193 6.818 461 1HB ASP 64 1HB ASP 64 -7.123 0.925 6.193 462 2HB ASP 64 2HB ASP 64 -6.612 -0.170 7.462 463 H PHE 65 H PHE 65 -6.216 -1.825 6.645 464 HA PHE 65 HA PHE 65 -5.436 -3.113 4.218 465 1HB PHE 65 1HB PHE 65 -5.639 -4.433 6.249 466 2HB PHE 65 2HB PHE 65 -7.168 -3.689 6.671 467 HD1 PHE 65 HD2 PHE 65 -5.833 -5.561 3.717 468 HD2 PHE 65 HD1 PHE 65 -8.952 -5.127 6.562 469 HE1 PHE 65 HE2 PHE 65 -7.059 -7.484 2.667 470 HE2 PHE 65 HE1 PHE 65 -10.178 -7.049 5.511 471 HZ PHE 65 HZ PHE 65 -9.217 -8.204 3.576 472 HA PRO 66 HA PRO 66 -10.071 -2.472 3.410 473 1HB PRO 66 1HB PRO 66 -11.437 -0.610 4.871 474 2HB PRO 66 2HB PRO 66 -11.449 -2.322 5.248 475 1HG PRO 66 1HG PRO 66 -10.012 -0.132 6.619 476 2HG PRO 66 2HG PRO 66 -10.381 -1.740 7.208 477 1HD PRO 66 1HD PRO 66 -7.845 -0.803 6.251 478 2HD PRO 66 2HD PRO 66 -8.244 -2.441 6.731 479 H GLU 67 H GLU 67 -8.051 0.197 4.205 480 HA GLU 67 HA GLU 67 -9.330 1.869 2.278 481 1HB GLU 67 1HB GLU 67 -6.645 2.323 3.640 482 2HB GLU 67 2HB GLU 67 -7.690 3.534 2.924 483 1HG GLU 67 1HG GLU 67 -9.359 3.268 4.647 484 2HG GLU 67 2HG GLU 67 -8.638 1.779 5.224 485 H PHE 68 H PHE 68 -6.839 -0.573 2.334 486 HA PHE 68 HA PHE 68 -5.609 0.425 -0.097 487 1HB PHE 68 1HB PHE 68 -3.989 -0.534 1.338 488 2HB PHE 68 2HB PHE 68 -5.147 -1.632 2.062 489 HD1 PHE 68 HD2 PHE 68 -5.829 -3.697 0.774 490 HD2 PHE 68 HD1 PHE 68 -2.576 -1.245 -0.413 491 HE1 PHE 68 HE2 PHE 68 -4.928 -5.572 -0.630 492 HE2 PHE 68 HE1 PHE 68 -1.675 -3.120 -1.817 493 HZ PHE 68 HZ PHE 68 -2.862 -5.261 -1.909 494 H LEU 69 H LEU 69 -7.815 -2.138 1.071 495 HA LEU 69 HA LEU 69 -7.765 -3.929 -0.944 496 1HB LEU 69 1HB LEU 69 -10.002 -2.824 0.722 497 2HB LEU 69 2HB LEU 69 -10.327 -4.025 -0.512 498 HG LEU 69 HG LEU 69 -8.146 -4.624 1.436 499 1HD1 LEU 69 3HD1 LEU 69 -10.834 -3.943 2.272 500 2HD1 LEU 69 1HD1 LEU 69 -10.451 -5.639 2.652 501 3HD1 LEU 69 2HD1 LEU 69 -9.397 -4.334 3.248 502 1HD2 LEU 69 1HD2 LEU 69 -8.700 -6.151 -0.422 503 2HD2 LEU 69 2HD2 LEU 69 -8.939 -6.897 1.176 504 3HD2 LEU 69 3HD2 LEU 69 -10.343 -6.333 0.239 505 H THR 70 H THR 70 -9.364 -0.695 -0.956 506 HA THR 70 HA THR 70 -10.670 -0.907 -3.382 507 HB THR 70 HB THR 70 -11.163 0.984 -2.035 508 HG1 THR 70 HG1 THR 70 -9.101 1.949 -3.876 509 1HG2 THR 70 3HG2 THR 70 -8.333 0.852 -1.369 510 2HG2 THR 70 1HG2 THR 70 -8.725 2.490 -1.944 511 3HG2 THR 70 2HG2 THR 70 -9.612 1.793 -0.567 512 H MET 71 H MET 71 -7.251 0.049 -2.722 513 HA MET 71 HA MET 71 -6.562 0.797 -5.225 514 1HB MET 71 1HB MET 71 -5.274 0.105 -2.780 515 2HB MET 71 2HB MET 71 -4.502 -0.912 -3.980 516 1HG MET 71 1HG MET 71 -4.782 1.734 -5.112 517 2HG MET 71 2HG MET 71 -4.096 1.904 -3.508 518 1HE MET 71 3HE MET 71 -3.536 1.749 -6.863 519 2HE MET 71 1HE MET 71 -1.956 0.998 -7.188 520 3HE MET 71 2HE MET 71 -3.421 -0.010 -7.106 521 H MET 72 H MET 72 -6.727 -2.551 -3.877 522 HA MET 72 HA MET 72 -5.645 -3.781 -6.124 523 1HB MET 72 1HB MET 72 -7.659 -4.846 -4.066 524 2HB MET 72 2HB MET 72 -6.671 -5.848 -5.110 525 1HG MET 72 1HG MET 72 -4.917 -3.992 -3.759 526 2HG MET 72 2HG MET 72 -5.972 -4.702 -2.554 527 1HE MET 72 2HE MET 72 -3.497 -4.874 -5.106 528 2HE MET 72 3HE MET 72 -2.361 -5.703 -4.015 529 3HE MET 72 1HE MET 72 -3.057 -6.573 -5.403 530 H ALA 73 H ALA 73 -9.027 -2.968 -5.175 531 HA ALA 73 HA ALA 73 -10.262 -4.353 -7.280 532 1HB ALA 73 3HB ALA 73 -10.981 -2.239 -5.286 533 2HB ALA 73 1HB ALA 73 -12.044 -2.425 -6.702 534 3HB ALA 73 2HB ALA 73 -11.755 -3.807 -5.619 535 H ARG 74 H ARG 74 -9.137 -0.932 -6.900 536 HA ARG 74 HA ARG 74 -9.617 -0.638 -9.751 537 1HB ARG 74 1HB ARG 74 -9.329 1.881 -9.179 538 2HB ARG 74 2HB ARG 74 -10.787 1.099 -8.602 539 1HG ARG 74 1HG ARG 74 -10.079 1.093 -6.369 540 2HG ARG 74 2HG ARG 74 -8.379 1.052 -6.791 541 1HD ARG 74 1HD ARG 74 -10.134 3.487 -7.342 542 2HD ARG 74 2HD ARG 74 -9.268 3.279 -5.833 543 HE ARG 74 HE ARG 74 -7.506 2.912 -8.114 544 1HH1 ARG 74 2HH2 ARG 74 -9.071 5.366 -6.135 545 2HH1 ARG 74 1HH2 ARG 74 -7.885 6.581 -6.478 546 1HH2 ARG 74 2HH1 ARG 74 -5.941 4.515 -8.565 547 2HH2 ARG 74 1HH1 ARG 74 -6.093 6.093 -7.869 548 H LYS 75 H LYS 75 -7.457 -2.086 -9.613 549 HA LYS 75 HA LYS 75 -5.075 -0.788 -8.867 550 1HB LYS 75 1HB LYS 75 -4.265 -2.838 -9.157 551 2HB LYS 75 2HB LYS 75 -5.865 -3.354 -9.652 552 1HG LYS 75 1HG LYS 75 -5.249 -2.531 -12.025 553 2HG LYS 75 2HG LYS 75 -3.603 -2.376 -11.446 554 1HD LYS 75 1HD LYS 75 -3.264 -4.655 -11.372 555 2HD LYS 75 2HD LYS 75 -4.889 -4.987 -10.806 556 1HE LYS 75 1HE LYS 75 -4.185 -4.204 -13.676 557 2HE LYS 75 2HE LYS 75 -4.456 -5.849 -13.135 558 1HZ LYS 75 3HZ LYS 75 -6.610 -4.429 -12.252 559 2HZ LYS 75 1HZ LYS 75 -6.350 -3.873 -13.766 560 3HZ LYS 75 2HZ LYS 75 -6.578 -5.470 -13.510 No H/Q in entry = 560 Start of MODEL 13 1 H MET 0 H MET 0 -28.736 -24.241 1.210 2 HA MET 0 HA MET 0 -26.857 -23.269 1.710 3 1HB MET 0 1HB MET 0 -26.590 -24.076 -1.112 4 2HB MET 0 2HB MET 0 -25.587 -22.678 -0.778 5 1HG MET 0 1HG MET 0 -25.528 -24.942 1.215 6 2HG MET 0 2HG MET 0 -24.720 -25.192 -0.320 7 1HE MET 0 2HE MET 0 -25.069 -23.748 2.857 8 2HE MET 0 3HE MET 0 -23.383 -23.395 3.305 9 3HE MET 0 1HE MET 0 -24.446 -22.085 2.739 10 H ALA 1 H ALA 1 -25.278 -21.226 0.943 11 HA ALA 1 HA ALA 1 -27.187 -19.023 0.597 12 1HB ALA 1 2HB ALA 1 -24.480 -19.200 1.976 13 2HB ALA 1 3HB ALA 1 -25.389 -17.687 1.747 14 3HB ALA 1 1HB ALA 1 -26.071 -18.991 2.747 15 H ASP 2 H ASP 2 -25.807 -16.961 -0.285 16 HA ASP 2 HA ASP 2 -24.141 -17.912 -2.459 17 1HB ASP 2 1HB ASP 2 -26.745 -17.305 -2.950 18 2HB ASP 2 2HB ASP 2 -26.080 -15.686 -3.039 19 H GLN 3 H GLN 3 -23.406 -15.608 -3.689 20 HA GLN 3 HA GLN 3 -22.242 -13.782 -3.545 21 1HB GLN 3 1HB GLN 3 -24.514 -13.071 -2.330 22 2HB GLN 3 2HB GLN 3 -23.477 -12.944 -0.923 23 1HG GLN 3 1HG GLN 3 -21.925 -11.628 -2.756 24 2HG GLN 3 2HG GLN 3 -23.512 -11.283 -3.413 25 1HE2 GLN 3 2HE2 GLN 3 -22.515 -8.633 -0.971 26 2HE2 GLN 3 1HE2 GLN 3 -21.830 -9.335 -2.398 27 H LEU 4 H LEU 4 -20.098 -13.606 -3.021 28 HA LEU 4 HA LEU 4 -19.002 -15.254 -1.039 29 1HB LEU 4 1HB LEU 4 -16.913 -13.945 -1.554 30 2HB LEU 4 2HB LEU 4 -17.670 -14.797 -2.885 31 HG LEU 4 HG LEU 4 -18.624 -12.046 -2.682 32 1HD1 LEU 4 3HD1 LEU 4 -15.796 -12.474 -2.247 33 2HD1 LEU 4 1HD1 LEU 4 -16.083 -11.588 -3.764 34 3HD1 LEU 4 2HD1 LEU 4 -16.739 -10.964 -2.231 35 1HD2 LEU 4 3HD2 LEU 4 -18.535 -13.924 -4.609 36 2HD2 LEU 4 1HD2 LEU 4 -18.663 -12.179 -4.936 37 3HD2 LEU 4 2HD2 LEU 4 -17.081 -12.989 -5.031 38 H THR 5 H THR 5 -17.257 -14.064 0.550 39 HA THR 5 HA THR 5 -18.395 -11.720 1.794 40 HB THR 5 HB THR 5 -19.237 -12.745 3.716 41 HG1 THR 5 HG1 THR 5 -18.160 -14.642 4.522 42 1HG2 THR 5 2HG2 THR 5 -19.272 -15.102 1.756 43 2HG2 THR 5 3HG2 THR 5 -20.262 -14.973 3.229 44 3HG2 THR 5 1HG2 THR 5 -20.529 -13.847 1.877 45 H GLU 6 H GLU 6 -17.028 -12.025 4.289 46 HA GLU 6 HA GLU 6 -14.660 -10.922 3.708 47 1HB GLU 6 1HB GLU 6 -15.355 -12.708 6.079 48 2HB GLU 6 2HB GLU 6 -13.937 -11.680 6.017 49 1HG GLU 6 1HG GLU 6 -15.456 -9.687 5.633 50 2HG GLU 6 2HG GLU 6 -16.839 -10.745 5.833 51 H GLU 7 H GLU 7 -15.468 -14.405 3.811 52 HA GLU 7 HA GLU 7 -13.144 -15.625 4.012 53 1HB GLU 7 1HB GLU 7 -15.438 -16.110 2.094 54 2HB GLU 7 2HB GLU 7 -14.047 -17.176 2.082 55 1HG GLU 7 1HG GLU 7 -14.741 -16.825 4.831 56 2HG GLU 7 2HG GLU 7 -16.254 -17.073 3.981 57 H GLN 8 H GLN 8 -14.225 -13.687 1.193 58 HA GLN 8 HA GLN 8 -12.027 -14.447 -0.403 59 1HB GLN 8 1HB GLN 8 -14.375 -12.674 -0.610 60 2HB GLN 8 2HB GLN 8 -12.966 -12.014 -1.416 61 1HG GLN 8 1HG GLN 8 -14.224 -14.754 -1.890 62 2HG GLN 8 2HG GLN 8 -14.201 -13.403 -3.006 63 1HE2 GLN 8 2HE2 GLN 8 -11.452 -16.095 -3.476 64 2HE2 GLN 8 1HE2 GLN 8 -13.099 -16.239 -2.960 65 H ILE 9 H ILE 9 -12.837 -11.598 1.670 66 HA ILE 9 HA ILE 9 -10.619 -10.062 1.043 67 HB ILE 9 HB ILE 9 -12.828 -9.780 2.578 68 1HG1 ILE 9 1HG1 ILE 9 -11.399 -7.648 3.420 69 2HG1 ILE 9 2HG1 ILE 9 -10.360 -8.187 2.116 70 1HG2 ILE 9 1HG2 ILE 9 -11.893 -11.060 4.439 71 2HG2 ILE 9 2HG2 ILE 9 -10.506 -9.948 4.520 72 3HG2 ILE 9 3HG2 ILE 9 -12.145 -9.356 4.888 73 1HD1 ILE 9 2HD1 ILE 9 -13.312 -8.084 1.554 74 2HD1 ILE 9 3HD1 ILE 9 -12.440 -6.538 1.682 75 3HD1 ILE 9 1HD1 ILE 9 -11.939 -7.745 0.473 76 H ALA 10 H ALA 10 -11.082 -12.607 3.573 77 HA ALA 10 HA ALA 10 -8.803 -12.442 4.963 78 1HB ALA 10 1HB ALA 10 -10.794 -14.364 4.477 79 2HB ALA 10 2HB ALA 10 -9.261 -15.203 4.140 80 3HB ALA 10 3HB ALA 10 -9.525 -14.434 5.723 81 H GLU 11 H GLU 11 -9.169 -13.645 1.596 82 HA GLU 11 HA GLU 11 -6.523 -14.555 1.421 83 1HB GLU 11 1HB GLU 11 -8.502 -13.759 -0.759 84 2HB GLU 11 2HB GLU 11 -6.996 -14.606 -1.049 85 1HG GLU 11 1HG GLU 11 -7.751 -16.485 0.399 86 2HG GLU 11 2HG GLU 11 -9.241 -15.633 0.751 87 H PHE 12 H PHE 12 -8.203 -11.501 0.455 88 HA PHE 12 HA PHE 12 -6.083 -10.298 -0.833 89 1HB PHE 12 1HB PHE 12 -8.509 -9.440 0.799 90 2HB PHE 12 2HB PHE 12 -7.390 -8.195 0.280 91 HD1 PHE 12 HD1 PHE 12 -8.983 -11.193 -1.296 92 HD2 PHE 12 HD2 PHE 12 -8.068 -7.060 -1.594 93 HE1 PHE 12 HE1 PHE 12 -10.121 -11.102 -3.532 94 HE2 PHE 12 HE2 PHE 12 -9.206 -6.969 -3.830 95 HZ PHE 12 HZ PHE 12 -10.219 -8.992 -4.772 96 H LYS 13 H LYS 13 -6.714 -10.775 2.633 97 HA LYS 13 HA LYS 13 -5.329 -8.837 3.848 98 1HB LYS 13 1HB LYS 13 -5.338 -11.806 4.446 99 2HB LYS 13 2HB LYS 13 -4.671 -10.606 5.534 100 1HG LYS 13 1HG LYS 13 -6.992 -9.399 5.284 101 2HG LYS 13 2HG LYS 13 -7.556 -10.927 4.637 102 1HD LYS 13 1HD LYS 13 -6.663 -12.063 6.741 103 2HD LYS 13 2HD LYS 13 -6.312 -10.473 7.388 104 1HE LYS 13 1HE LYS 13 -8.461 -10.268 8.080 105 2HE LYS 13 2HE LYS 13 -9.016 -10.393 6.422 106 1HZ LYS 13 1HZ LYS 13 -8.252 -12.904 7.495 107 2HZ LYS 13 2HZ LYS 13 -9.444 -12.207 8.366 108 3HZ LYS 13 3HZ LYS 13 -9.647 -12.469 6.767 109 H GLU 14 H GLU 14 -3.743 -11.924 2.752 110 HA GLU 14 HA GLU 14 -1.203 -11.211 3.235 111 1HB GLU 14 1HB GLU 14 -2.327 -12.832 0.914 112 2HB GLU 14 2HB GLU 14 -0.615 -12.752 1.279 113 1HG GLU 14 1HG GLU 14 -1.551 -13.370 3.763 114 2HG GLU 14 2HG GLU 14 -2.825 -14.095 2.803 115 H ALA 15 H ALA 15 -3.260 -10.243 0.459 116 HA ALA 15 HA ALA 15 -1.344 -9.192 -1.205 117 1HB ALA 15 1HB ALA 15 -3.986 -9.456 -1.337 118 2HB ALA 15 2HB ALA 15 -3.956 -7.758 -0.805 119 3HB ALA 15 3HB ALA 15 -3.138 -8.233 -2.313 120 H PHE 16 H PHE 16 -3.197 -7.493 1.423 121 HA PHE 16 HA PHE 16 -1.967 -5.055 1.187 122 1HB PHE 16 1HB PHE 16 -3.953 -5.810 2.640 123 2HB PHE 16 2HB PHE 16 -2.812 -6.579 3.725 124 HD1 PHE 16 HD2 PHE 16 -3.744 -3.274 2.304 125 HD2 PHE 16 HD1 PHE 16 -1.828 -5.362 5.464 126 HE1 PHE 16 HE2 PHE 16 -3.511 -1.126 3.582 127 HE2 PHE 16 HE1 PHE 16 -1.595 -3.214 6.741 128 HZ PHE 16 HZ PHE 16 -2.439 -1.122 5.785 129 H SER 17 H SER 17 -0.843 -8.039 2.829 130 HA SER 17 HA SER 17 1.150 -6.920 4.339 131 1HB SER 17 1HB SER 17 0.224 -9.394 4.123 132 2HB SER 17 2HB SER 17 1.532 -9.593 2.974 133 HG SER 17 HG SER 17 1.900 -8.585 5.664 134 H LEU 18 H LEU 18 1.284 -8.280 0.969 135 HA LEU 18 HA LEU 18 3.859 -8.076 0.349 136 1HB LEU 18 1HB LEU 18 1.354 -7.929 -1.066 137 2HB LEU 18 2HB LEU 18 2.532 -6.879 -1.828 138 HG LEU 18 HG LEU 18 4.025 -9.138 -1.473 139 1HD1 LEU 18 3HD1 LEU 18 1.665 -10.123 -0.712 140 2HD1 LEU 18 1HD1 LEU 18 1.493 -10.346 -2.470 141 3HD1 LEU 18 2HD1 LEU 18 2.864 -11.086 -1.609 142 1HD2 LEU 18 2HD2 LEU 18 2.485 -7.951 -3.718 143 2HD2 LEU 18 3HD2 LEU 18 4.228 -8.271 -3.555 144 3HD2 LEU 18 1HD2 LEU 18 3.112 -9.600 -3.951 145 H PHE 19 H PHE 19 1.566 -5.293 0.563 146 HA PHE 19 HA PHE 19 3.689 -3.448 -0.033 147 1HB PHE 19 1HB PHE 19 0.731 -3.350 0.761 148 2HB PHE 19 2HB PHE 19 1.665 -1.869 0.670 149 HD1 PHE 19 HD1 PHE 19 3.022 -1.596 -1.615 150 HD2 PHE 19 HD2 PHE 19 -0.445 -3.990 -1.114 151 HE1 PHE 19 HE1 PHE 19 2.575 -1.465 -4.081 152 HE2 PHE 19 HE2 PHE 19 -0.893 -3.859 -3.580 153 HZ PHE 19 HZ PHE 19 0.623 -2.598 -5.034 154 H ASP 20 H ASP 20 1.665 -4.398 2.815 155 HA ASP 20 HA ASP 20 3.068 -2.557 4.472 156 1HB ASP 20 1HB ASP 20 0.753 -2.985 5.005 157 2HB ASP 20 2HB ASP 20 0.985 -4.721 4.957 158 H LYS 21 H LYS 21 5.300 -3.321 4.361 159 HA LYS 21 HA LYS 21 5.996 -6.015 4.726 160 1HB LYS 21 1HB LYS 21 7.293 -3.851 3.819 161 2HB LYS 21 2HB LYS 21 7.905 -3.842 5.460 162 1HG LYS 21 1HG LYS 21 7.909 -6.381 3.780 163 2HG LYS 21 2HG LYS 21 9.220 -5.223 3.686 164 1HD LYS 21 1HD LYS 21 8.273 -6.485 6.301 165 2HD LYS 21 2HD LYS 21 9.591 -7.127 5.340 166 1HE LYS 21 1HE LYS 21 11.048 -5.574 6.143 167 2HE LYS 21 2HE LYS 21 9.957 -4.255 5.763 168 1HZ LYS 21 1HZ LYS 21 9.106 -5.822 7.986 169 2HZ LYS 21 2HZ LYS 21 10.549 -5.097 8.230 170 3HZ LYS 21 3HZ LYS 21 9.239 -4.200 7.846 171 H ASP 22 H ASP 22 6.205 -3.184 7.001 172 HA ASP 22 HA ASP 22 7.045 -4.512 9.176 173 1HB ASP 22 1HB ASP 22 5.284 -2.776 10.338 174 2HB ASP 22 2HB ASP 22 6.844 -2.292 9.703 175 H GLY 23 H GLY 23 3.944 -4.705 7.522 176 1HA GLY 23 1HA GLY 23 2.094 -5.932 7.866 177 2HA GLY 23 2HA GLY 23 3.055 -6.954 8.916 178 H ASP 24 H ASP 24 3.045 -3.590 9.824 179 HA ASP 24 HA ASP 24 1.987 -4.106 12.298 180 1HB ASP 24 1HB ASP 24 1.788 -1.621 12.493 181 2HB ASP 24 2HB ASP 24 3.333 -2.116 11.831 182 H GLY 25 H GLY 25 0.503 -3.155 9.181 183 1HA GLY 25 1HA GLY 25 -1.839 -4.014 9.015 184 2HA GLY 25 2HA GLY 25 -2.157 -3.098 10.474 185 H THR 26 H THR 26 0.183 -1.335 8.847 186 HA THR 26 HA THR 26 -1.778 0.083 7.183 187 HB THR 26 HB THR 26 -0.847 2.226 8.142 188 HG1 THR 26 HG1 THR 26 0.820 1.983 9.622 189 1HG2 THR 26 2HG2 THR 26 -2.610 0.411 9.473 190 2HG2 THR 26 3HG2 THR 26 -1.474 0.995 10.713 191 3HG2 THR 26 1HG2 THR 26 -2.443 2.157 9.776 192 H ILE 27 H ILE 27 -0.951 1.124 5.345 193 HA ILE 27 HA ILE 27 1.809 0.318 4.743 194 HB ILE 27 HB ILE 27 -0.593 0.598 2.937 195 1HG1 ILE 27 1HG1 ILE 27 1.097 -1.841 3.550 196 2HG1 ILE 27 2HG1 ILE 27 -0.406 -1.468 4.370 197 1HG2 ILE 27 2HG2 ILE 27 1.591 1.451 1.965 198 2HG2 ILE 27 3HG2 ILE 27 2.190 -0.221 2.092 199 3HG2 ILE 27 1HG2 ILE 27 0.780 0.144 1.070 200 1HD1 ILE 27 2HD1 ILE 27 -0.186 -1.688 1.336 201 2HD1 ILE 27 3HD1 ILE 27 -0.633 -3.051 2.390 202 3HD1 ILE 27 1HD1 ILE 27 -1.675 -1.610 2.308 203 H THR 28 H THR 28 3.045 2.085 5.222 204 HA THR 28 HA THR 28 2.040 4.735 4.801 205 HB THR 28 HB THR 28 3.572 4.127 6.672 206 HG1 THR 28 HG1 THR 28 3.815 6.278 5.962 207 1HG2 THR 28 2HG2 THR 28 5.001 2.696 4.681 208 2HG2 THR 28 3HG2 THR 28 6.017 4.110 5.047 209 3HG2 THR 28 1HG2 THR 28 5.536 2.998 6.351 210 H THR 29 H THR 29 4.666 5.791 3.852 211 HA THR 29 HA THR 29 4.082 5.450 1.021 212 HB THR 29 HB THR 29 5.674 7.450 0.898 213 HG1 THR 29 HG1 THR 29 6.869 7.076 2.833 214 1HG2 THR 29 2HG2 THR 29 3.158 7.424 2.572 215 2HG2 THR 29 3HG2 THR 29 4.171 8.886 2.614 216 3HG2 THR 29 1HG2 THR 29 3.498 8.314 1.069 217 H LYS 30 H LYS 30 6.884 5.160 3.292 218 HA LYS 30 HA LYS 30 8.702 4.313 1.377 219 1HB LYS 30 1HB LYS 30 8.550 4.555 4.253 220 2HB LYS 30 2HB LYS 30 9.346 3.054 3.825 221 1HG LYS 30 1HG LYS 30 10.148 5.496 2.267 222 2HG LYS 30 2HG LYS 30 10.654 5.433 3.943 223 1HD LYS 30 1HD LYS 30 11.207 2.842 2.967 224 2HD LYS 30 2HD LYS 30 11.648 3.897 1.639 225 1HE LYS 30 1HE LYS 30 12.550 4.836 4.326 226 2HE LYS 30 2HE LYS 30 13.282 3.336 3.792 227 1HZ LYS 30 2HZ LYS 30 13.161 5.719 2.087 228 2HZ LYS 30 3HZ LYS 30 14.418 5.406 3.080 229 3HZ LYS 30 1HZ LYS 30 14.066 4.379 1.860 230 H GLU 31 H GLU 31 6.059 2.626 3.038 231 HA GLU 31 HA GLU 31 7.032 0.066 2.257 232 1HB GLU 31 1HB GLU 31 4.380 0.981 3.450 233 2HB GLU 31 2HB GLU 31 4.773 -0.698 3.142 234 1HG GLU 31 1HG GLU 31 6.938 0.650 4.603 235 2HG GLU 31 2HG GLU 31 5.415 0.787 5.458 236 H LEU 32 H LEU 32 5.031 2.615 0.900 237 HA LEU 32 HA LEU 32 3.709 0.871 -0.965 238 1HB LEU 32 1HB LEU 32 3.004 3.189 0.143 239 2HB LEU 32 2HB LEU 32 3.777 3.829 -1.295 240 HG LEU 32 HG LEU 32 2.243 2.108 -2.557 241 1HD1 LEU 32 2HD1 LEU 32 0.986 2.268 0.170 242 2HD1 LEU 32 3HD1 LEU 32 -0.015 2.042 -1.284 243 3HD1 LEU 32 1HD1 LEU 32 1.247 0.854 -0.880 244 1HD2 LEU 32 1HD2 LEU 32 1.960 4.862 -1.756 245 2HD2 LEU 32 2HD2 LEU 32 1.490 4.066 -3.277 246 3HD2 LEU 32 3HD2 LEU 32 0.360 4.095 -1.903 247 H GLY 33 H GLY 33 6.762 2.515 -0.680 248 1HA GLY 33 1HA GLY 33 7.195 2.372 -3.591 249 2HA GLY 33 2HA GLY 33 8.127 3.311 -2.442 250 H THR 34 H THR 34 7.143 0.038 -1.537 251 HA THR 34 HA THR 34 9.931 -0.826 -1.940 252 HB THR 34 HB THR 34 8.015 -0.938 0.329 253 HG1 THR 34 HG1 THR 34 10.869 -1.479 -0.106 254 1HG2 THR 34 1HG2 THR 34 9.760 -3.358 -0.374 255 2HG2 THR 34 2HG2 THR 34 8.905 -3.106 1.167 256 3HG2 THR 34 3HG2 THR 34 7.981 -3.363 -0.332 257 H VAL 35 H VAL 35 6.496 -1.521 -2.477 258 HA VAL 35 HA VAL 35 7.084 -4.162 -3.469 259 HB VAL 35 HB VAL 35 4.679 -2.475 -2.976 260 1HG1 VAL 35 1HG1 VAL 35 4.885 -4.576 -5.110 261 2HG1 VAL 35 2HG1 VAL 35 3.388 -4.449 -4.156 262 3HG1 VAL 35 3HG1 VAL 35 3.966 -3.051 -5.094 263 1HG2 VAL 35 3HG2 VAL 35 5.471 -5.338 -2.356 264 2HG2 VAL 35 1HG2 VAL 35 5.377 -3.967 -1.225 265 3HG2 VAL 35 2HG2 VAL 35 3.891 -4.627 -1.949 266 H MET 36 H MET 36 6.857 -0.854 -4.651 267 HA MET 36 HA MET 36 6.329 -1.557 -7.326 268 1HB MET 36 1HB MET 36 7.637 0.949 -6.128 269 2HB MET 36 2HB MET 36 6.967 0.843 -7.744 270 1HG MET 36 1HG MET 36 4.910 -0.071 -5.979 271 2HG MET 36 2HG MET 36 5.589 1.360 -5.229 272 1HE MET 36 1HE MET 36 2.904 0.628 -6.245 273 2HE MET 36 2HE MET 36 2.254 2.047 -7.101 274 3HE MET 36 3HE MET 36 2.714 0.590 -8.014 275 H ARG 37 H ARG 37 9.307 -0.856 -5.414 276 HA ARG 37 HA ARG 37 11.053 -0.775 -7.519 277 1HB ARG 37 1HB ARG 37 12.776 -1.504 -5.753 278 2HB ARG 37 2HB ARG 37 11.820 -0.095 -5.339 279 1HG ARG 37 1HG ARG 37 10.355 -1.406 -3.900 280 2HG ARG 37 2HG ARG 37 11.040 -2.914 -4.473 281 1HD ARG 37 1HD ARG 37 12.245 -2.686 -2.495 282 2HD ARG 37 2HD ARG 37 13.331 -1.840 -3.580 283 HE ARG 37 HE ARG 37 11.527 0.116 -2.687 284 1HH1 ARG 37 2HH2 ARG 37 13.835 -2.083 -1.196 285 2HH1 ARG 37 1HH2 ARG 37 14.156 -1.038 0.147 286 1HH2 ARG 37 2HH1 ARG 37 11.951 1.495 -0.915 287 2HH2 ARG 37 1HH1 ARG 37 13.077 1.011 0.308 288 H SER 38 H SER 38 9.201 -3.418 -6.266 289 HA SER 38 HA SER 38 11.087 -5.388 -7.199 290 1HB SER 38 1HB SER 38 8.303 -5.846 -6.051 291 2HB SER 38 2HB SER 38 9.589 -7.027 -6.201 292 HG SER 38 HG SER 38 9.916 -4.623 -4.637 293 H LEU 39 H LEU 39 9.106 -3.328 -8.734 294 HA LEU 39 HA LEU 39 8.258 -5.358 -10.679 295 1HB LEU 39 1HB LEU 39 6.571 -3.816 -9.133 296 2HB LEU 39 2HB LEU 39 6.669 -2.903 -10.626 297 HG LEU 39 HG LEU 39 6.285 -5.596 -11.396 298 1HD1 LEU 39 3HD1 LEU 39 4.636 -4.825 -8.993 299 2HD1 LEU 39 1HD1 LEU 39 4.033 -5.966 -10.219 300 3HD1 LEU 39 2HD1 LEU 39 5.520 -6.336 -9.314 301 1HD2 LEU 39 1HD2 LEU 39 5.465 -3.293 -12.319 302 2HD2 LEU 39 2HD2 LEU 39 4.490 -4.760 -12.577 303 3HD2 LEU 39 3HD2 LEU 39 4.041 -3.607 -11.298 304 H GLY 40 H GLY 40 10.479 -3.034 -10.008 305 1HA GLY 40 1HA GLY 40 12.013 -2.201 -11.508 306 2HA GLY 40 2HA GLY 40 10.907 -2.491 -12.836 307 H GLN 41 H GLN 41 9.822 -0.872 -9.852 308 HA GLN 41 HA GLN 41 9.789 1.622 -11.367 309 1HB GLN 41 1HB GLN 41 7.629 0.213 -9.859 310 2HB GLN 41 2HB GLN 41 7.708 1.947 -9.618 311 1HG GLN 41 1HG GLN 41 8.016 1.789 -12.360 312 2HG GLN 41 2HG GLN 41 6.983 0.405 -12.064 313 1HE2 GLN 41 2HE2 GLN 41 4.449 2.511 -10.359 314 2HE2 GLN 41 1HE2 GLN 41 5.465 1.167 -9.957 315 H ASN 42 H ASN 42 9.146 3.485 -9.517 316 HA ASN 42 HA ASN 42 10.102 3.158 -6.980 317 1HB ASN 42 1HB ASN 42 12.294 2.886 -8.491 318 2HB ASN 42 2HB ASN 42 12.214 4.634 -8.586 319 1HD2 ASN 42 2HD2 ASN 42 13.954 4.998 -5.629 320 2HD2 ASN 42 1HD2 ASN 42 13.678 5.430 -7.284 321 HA PRO 43 HA PRO 43 8.186 7.118 -8.263 322 1HB PRO 43 1HB PRO 43 5.907 6.945 -6.764 323 2HB PRO 43 2HB PRO 43 5.994 6.436 -8.439 324 1HG PRO 43 1HG PRO 43 5.920 4.771 -5.997 325 2HG PRO 43 2HG PRO 43 5.582 4.307 -7.653 326 1HD PRO 43 1HD PRO 43 7.971 3.746 -6.167 327 2HD PRO 43 2HD PRO 43 7.678 3.384 -7.856 328 H THR 44 H THR 44 8.516 9.097 -7.367 329 HA THR 44 HA THR 44 9.977 9.126 -4.976 330 HB THR 44 HB THR 44 9.774 11.590 -5.271 331 HG1 THR 44 HG1 THR 44 7.974 12.299 -6.381 332 1HG2 THR 44 3HG2 THR 44 10.365 9.778 -7.559 333 2HG2 THR 44 1HG2 THR 44 9.897 11.425 -8.044 334 3HG2 THR 44 2HG2 THR 44 11.287 11.179 -6.961 335 H GLU 45 H GLU 45 9.453 10.158 -2.921 336 HA GLU 45 HA GLU 45 7.276 9.013 -1.760 337 1HB GLU 45 1HB GLU 45 9.420 10.711 -0.979 338 2HB GLU 45 2HB GLU 45 7.963 11.494 -0.400 339 1HG GLU 45 1HG GLU 45 7.252 9.397 0.727 340 2HG GLU 45 2HG GLU 45 8.657 8.560 0.097 341 H ALA 46 H ALA 46 7.525 12.007 -3.620 342 HA ALA 46 HA ALA 46 5.179 13.232 -2.649 343 1HB ALA 46 3HB ALA 46 6.981 14.429 -3.833 344 2HB ALA 46 1HB ALA 46 6.635 13.499 -5.311 345 3HB ALA 46 2HB ALA 46 5.424 14.635 -4.671 346 H GLU 47 H GLU 47 5.901 11.005 -5.403 347 HA GLU 47 HA GLU 47 3.389 11.092 -6.524 348 1HB GLU 47 1HB GLU 47 5.287 10.116 -7.697 349 2HB GLU 47 2HB GLU 47 5.485 8.882 -6.469 350 1HG GLU 47 1HG GLU 47 3.659 7.638 -7.210 351 2HG GLU 47 2HG GLU 47 2.787 9.047 -7.780 352 H LEU 48 H LEU 48 4.766 8.525 -4.332 353 HA LEU 48 HA LEU 48 2.536 7.034 -3.983 354 1HB LEU 48 1HB LEU 48 4.591 7.758 -1.889 355 2HB LEU 48 2HB LEU 48 3.485 6.401 -1.808 356 HG LEU 48 HG LEU 48 5.335 6.632 -4.160 357 1HD1 LEU 48 1HD1 LEU 48 6.124 5.973 -1.342 358 2HD1 LEU 48 2HD1 LEU 48 6.905 5.132 -2.703 359 3HD1 LEU 48 3HD1 LEU 48 6.993 6.906 -2.584 360 1HD2 LEU 48 3HD2 LEU 48 3.465 4.722 -3.172 361 2HD2 LEU 48 1HD2 LEU 48 4.476 4.646 -4.636 362 3HD2 LEU 48 2HD2 LEU 48 5.090 4.000 -3.095 363 H GLN 49 H GLN 49 3.508 9.827 -1.864 364 HA GLN 49 HA GLN 49 1.423 9.894 -0.225 365 1HB GLN 49 1HB GLN 49 3.483 11.579 -0.743 366 2HB GLN 49 2HB GLN 49 2.181 12.543 -1.410 367 1HG GLN 49 1HG GLN 49 2.094 13.259 0.801 368 2HG GLN 49 2HG GLN 49 0.955 11.929 0.882 369 1HE2 GLN 49 2HE2 GLN 49 2.670 10.441 3.479 370 2HE2 GLN 49 1HE2 GLN 49 1.189 10.953 2.742 371 H ASP 50 H ASP 50 1.473 11.080 -3.628 372 HA ASP 50 HA ASP 50 -1.068 12.214 -3.529 373 1HB ASP 50 1HB ASP 50 1.012 11.691 -5.488 374 2HB ASP 50 2HB ASP 50 -0.534 11.235 -6.176 375 H MET 51 H MET 51 0.245 8.965 -4.399 376 HA MET 51 HA MET 51 -2.162 7.954 -5.395 377 1HB MET 51 1HB MET 51 0.200 6.478 -4.102 378 2HB MET 51 2HB MET 51 -0.982 5.755 -5.174 379 1HG MET 51 1HG MET 51 -0.201 7.015 -7.072 380 2HG MET 51 2HG MET 51 0.693 8.137 -6.065 381 1HE MET 51 1HE MET 51 0.628 5.615 -8.287 382 2HE MET 51 2HE MET 51 2.293 4.989 -8.363 383 3HE MET 51 3HE MET 51 1.055 4.116 -7.428 384 H ILE 52 H ILE 52 -0.466 7.375 -2.223 385 HA ILE 52 HA ILE 52 -2.282 5.791 -1.017 386 HB ILE 52 HB ILE 52 -0.511 7.977 0.028 387 1HG1 ILE 52 1HG1 ILE 52 -0.416 4.965 -0.086 388 2HG1 ILE 52 2HG1 ILE 52 0.730 6.125 -0.727 389 1HG2 ILE 52 3HG2 ILE 52 -2.764 6.825 1.411 390 2HG2 ILE 52 1HG2 ILE 52 -1.242 6.348 2.201 391 3HG2 ILE 52 2HG2 ILE 52 -1.613 8.071 1.951 392 1HD1 ILE 52 1HD1 ILE 52 0.739 6.809 1.949 393 2HD1 ILE 52 2HD1 ILE 52 0.469 5.052 2.028 394 3HD1 ILE 52 3HD1 ILE 52 1.901 5.695 1.189 395 H ASN 53 H ASN 53 -2.408 9.397 -1.274 396 HA ASN 53 HA ASN 53 -4.565 9.855 0.268 397 1HB ASN 53 1HB ASN 53 -3.293 11.154 -2.082 398 2HB ASN 53 2HB ASN 53 -4.992 11.554 -1.925 399 1HD2 ASN 53 2HD2 ASN 53 -2.583 13.788 0.073 400 2HD2 ASN 53 1HD2 ASN 53 -2.469 13.088 -1.508 401 H GLU 54 H GLU 54 -4.390 8.723 -3.161 402 HA GLU 54 HA GLU 54 -7.064 8.930 -3.763 403 1HB GLU 54 1HB GLU 54 -5.120 6.811 -4.779 404 2HB GLU 54 2HB GLU 54 -6.582 7.346 -5.583 405 1HG GLU 54 1HG GLU 54 -5.425 9.760 -5.348 406 2HG GLU 54 2HG GLU 54 -3.960 8.803 -5.242 407 H VAL 55 H VAL 55 -5.271 6.542 -1.846 408 HA VAL 55 HA VAL 55 -7.770 5.023 -1.544 409 HB VAL 55 HB VAL 55 -5.834 3.351 -0.649 410 1HG1 VAL 55 2HG1 VAL 55 -7.540 3.603 -2.964 411 2HG1 VAL 55 3HG1 VAL 55 -5.997 2.844 -3.424 412 3HG1 VAL 55 1HG1 VAL 55 -6.984 2.136 -2.123 413 1HG2 VAL 55 3HG2 VAL 55 -4.099 5.048 -1.398 414 2HG2 VAL 55 1HG2 VAL 55 -3.900 3.397 -2.033 415 3HG2 VAL 55 2HG2 VAL 55 -4.582 4.674 -3.070 416 H ASP 56 H ASP 56 -7.093 7.526 -0.170 417 HA ASP 56 HA ASP 56 -7.341 6.483 2.484 418 1HB ASP 56 1HB ASP 56 -5.023 6.745 2.688 419 2HB ASP 56 2HB ASP 56 -4.959 8.042 1.511 420 H ALA 57 H ALA 57 -9.324 7.522 2.875 421 HA ALA 57 HA ALA 57 -9.620 10.279 1.964 422 1HB ALA 57 2HB ALA 57 -11.364 8.649 1.357 423 2HB ALA 57 3HB ALA 57 -11.619 8.267 3.077 424 3HB ALA 57 1HB ALA 57 -12.014 9.888 2.457 425 H ASP 58 H ASP 58 -8.741 8.426 4.729 426 HA ASP 58 HA ASP 58 -9.913 10.075 6.675 427 1HB ASP 58 1HB ASP 58 -9.109 8.455 8.046 428 2HB ASP 58 2HB ASP 58 -8.489 7.658 6.614 429 H GLY 59 H GLY 59 -6.676 9.822 5.067 430 1HA GLY 59 1HA GLY 59 -5.245 11.562 4.604 431 2HA GLY 59 2HA GLY 59 -6.137 12.614 5.685 432 H ASN 60 H ASN 60 -5.105 9.327 6.638 433 HA ASN 60 HA ASN 60 -3.711 10.457 8.839 434 1HB ASN 60 1HB ASN 60 -3.398 8.117 9.542 435 2HB ASN 60 2HB ASN 60 -5.048 8.322 8.986 436 1HD2 ASN 60 2HD2 ASN 60 -3.738 5.183 7.540 437 2HD2 ASN 60 1HD2 ASN 60 -4.034 5.847 9.112 438 H GLY 61 H GLY 61 -3.013 9.482 5.570 439 1HA GLY 61 1HA GLY 61 -0.978 9.968 4.529 440 2HA GLY 61 2HA GLY 61 -0.137 9.799 6.058 441 H THR 62 H THR 62 -1.610 7.268 6.789 442 HA THR 62 HA THR 62 -0.027 5.487 5.081 443 HB THR 62 HB THR 62 -0.604 3.920 7.119 444 HG1 THR 62 HG1 THR 62 -1.779 5.006 8.654 445 1HG2 THR 62 1HG2 THR 62 1.429 5.933 6.772 446 2HG2 THR 62 2HG2 THR 62 0.876 6.017 8.462 447 3HG2 THR 62 3HG2 THR 62 1.499 4.485 7.804 448 H ILE 63 H ILE 63 -1.015 3.240 4.743 449 HA ILE 63 HA ILE 63 -3.838 3.632 4.027 450 HB ILE 63 HB ILE 63 -1.629 2.169 2.591 451 1HG1 ILE 63 1HG1 ILE 63 -2.420 4.795 2.419 452 2HG1 ILE 63 2HG1 ILE 63 -1.566 3.899 1.178 453 1HG2 ILE 63 1HG2 ILE 63 -4.616 1.938 2.306 454 2HG2 ILE 63 2HG2 ILE 63 -3.536 1.691 0.912 455 3HG2 ILE 63 3HG2 ILE 63 -3.379 0.658 2.353 456 1HD1 ILE 63 2HD1 ILE 63 -4.584 3.718 1.322 457 2HD1 ILE 63 3HD1 ILE 63 -3.813 5.133 0.567 458 3HD1 ILE 63 1HD1 ILE 63 -3.514 3.504 -0.084 459 H ASP 64 H ASP 64 -5.303 2.196 4.839 460 HA ASP 64 HA ASP 64 -4.161 0.105 6.490 461 1HB ASP 64 1HB ASP 64 -7.009 1.203 6.356 462 2HB ASP 64 2HB ASP 64 -6.445 0.011 7.510 463 H PHE 65 H PHE 65 -6.230 -1.745 6.633 464 HA PHE 65 HA PHE 65 -6.032 -3.063 4.152 465 1HB PHE 65 1HB PHE 65 -6.311 -3.981 6.570 466 2HB PHE 65 2HB PHE 65 -7.987 -3.478 6.490 467 HD1 PHE 65 HD2 PHE 65 -5.965 -5.055 3.799 468 HD2 PHE 65 HD1 PHE 65 -9.137 -5.511 6.582 469 HE1 PHE 65 HE2 PHE 65 -6.574 -7.251 2.746 470 HE2 PHE 65 HE1 PHE 65 -9.745 -7.706 5.529 471 HZ PHE 65 HZ PHE 65 -8.457 -8.550 3.624 472 HA PRO 66 HA PRO 66 -10.569 -1.719 3.781 473 1HB PRO 66 1HB PRO 66 -11.504 0.304 5.362 474 2HB PRO 66 2HB PRO 66 -11.734 -1.392 5.740 475 1HG PRO 66 1HG PRO 66 -9.868 0.544 6.968 476 2HG PRO 66 2HG PRO 66 -10.415 -1.000 7.591 477 1HD PRO 66 1HD PRO 66 -7.868 -0.434 6.400 478 2HD PRO 66 2HD PRO 66 -8.458 -2.001 6.916 479 H GLU 67 H GLU 67 -7.891 0.243 3.982 480 HA GLU 67 HA GLU 67 -9.153 2.224 2.279 481 1HB GLU 67 1HB GLU 67 -6.312 2.379 3.325 482 2HB GLU 67 2HB GLU 67 -7.367 3.692 2.840 483 1HG GLU 67 1HG GLU 67 -8.335 1.955 5.093 484 2HG GLU 67 2HG GLU 67 -6.970 2.997 5.440 485 H PHE 68 H PHE 68 -6.862 -0.460 2.317 486 HA PHE 68 HA PHE 68 -5.843 0.261 -0.305 487 1HB PHE 68 1HB PHE 68 -4.113 -0.647 1.025 488 2HB PHE 68 2HB PHE 68 -5.228 -1.597 1.987 489 HD1 PHE 68 HD1 PHE 68 -6.171 -3.729 0.986 490 HD2 PHE 68 HD2 PHE 68 -2.922 -1.626 -0.754 491 HE1 PHE 68 HE1 PHE 68 -5.524 -5.788 -0.296 492 HE2 PHE 68 HE2 PHE 68 -2.275 -3.684 -2.036 493 HZ PHE 68 HZ PHE 68 -3.584 -5.741 -1.792 494 H LEU 69 H LEU 69 -8.085 -1.991 1.303 495 HA LEU 69 HA LEU 69 -8.300 -3.988 -0.522 496 1HB LEU 69 1HB LEU 69 -10.184 -2.652 1.358 497 2HB LEU 69 2HB LEU 69 -10.857 -3.763 0.182 498 HG LEU 69 HG LEU 69 -8.595 -4.522 2.043 499 1HD1 LEU 69 1HD1 LEU 69 -10.506 -3.844 3.399 500 2HD1 LEU 69 2HD1 LEU 69 -11.569 -4.926 2.468 501 3HD1 LEU 69 3HD1 LEU 69 -10.266 -5.606 3.471 502 1HD2 LEU 69 3HD2 LEU 69 -8.950 -5.859 -0.050 503 2HD2 LEU 69 1HD2 LEU 69 -9.103 -6.780 1.466 504 3HD2 LEU 69 2HD2 LEU 69 -10.561 -6.291 0.571 505 H THR 70 H THR 70 -9.323 -0.601 -0.817 506 HA THR 70 HA THR 70 -10.998 -1.018 -3.077 507 HB THR 70 HB THR 70 -11.366 0.948 -1.750 508 HG1 THR 70 HG1 THR 70 -11.414 1.479 -3.995 509 1HG2 THR 70 1HG2 THR 70 -8.451 0.940 -1.520 510 2HG2 THR 70 2HG2 THR 70 -9.016 2.522 -2.108 511 3HG2 THR 70 3HG2 THR 70 -9.637 1.870 -0.573 512 H MET 71 H MET 71 -7.511 -0.365 -2.606 513 HA MET 71 HA MET 71 -6.907 0.357 -5.169 514 1HB MET 71 1HB MET 71 -5.548 -0.409 -2.765 515 2HB MET 71 2HB MET 71 -4.876 -1.431 -4.020 516 1HG MET 71 1HG MET 71 -5.112 1.251 -5.083 517 2HG MET 71 2HG MET 71 -4.333 1.355 -3.516 518 1HE MET 71 2HE MET 71 -3.045 2.305 -5.882 519 2HE MET 71 3HE MET 71 -1.681 1.362 -6.529 520 3HE MET 71 1HE MET 71 -3.320 1.116 -7.177 521 H MET 72 H MET 72 -6.679 -2.983 -3.729 522 HA MET 72 HA MET 72 -5.985 -4.273 -6.018 523 1HB MET 72 1HB MET 72 -7.747 -5.160 -3.670 524 2HB MET 72 2HB MET 72 -7.129 -6.283 -4.864 525 1HG MET 72 1HG MET 72 -4.967 -4.583 -3.855 526 2HG MET 72 2HG MET 72 -5.797 -5.366 -2.525 527 1HE MET 72 3HE MET 72 -3.608 -5.529 -5.483 528 2HE MET 72 1HE MET 72 -2.629 -5.941 -4.054 529 3HE MET 72 2HE MET 72 -2.844 -7.132 -5.360 530 H ALA 73 H ALA 73 -9.246 -3.297 -4.863 531 HA ALA 73 HA ALA 73 -10.727 -4.754 -6.726 532 1HB ALA 73 2HB ALA 73 -11.350 -3.343 -4.563 533 2HB ALA 73 3HB ALA 73 -11.617 -2.051 -5.758 534 3HB ALA 73 1HB ALA 73 -12.530 -3.574 -5.875 535 H ARG 74 H ARG 74 -9.631 -1.286 -6.776 536 HA ARG 74 HA ARG 74 -9.939 -1.454 -9.668 537 1HB ARG 74 1HB ARG 74 -10.233 1.080 -9.558 538 2HB ARG 74 2HB ARG 74 -11.531 0.165 -8.817 539 1HG ARG 74 1HG ARG 74 -11.031 0.909 -6.700 540 2HG ARG 74 2HG ARG 74 -9.301 0.800 -6.956 541 1HD ARG 74 1HD ARG 74 -11.000 2.985 -8.241 542 2HD ARG 74 2HD ARG 74 -10.274 3.176 -6.658 543 HE ARG 74 HE ARG 74 -8.120 2.392 -8.164 544 1HH1 ARG 74 2HH2 ARG 74 -10.571 4.867 -8.658 545 2HH1 ARG 74 1HH2 ARG 74 -9.524 5.904 -9.569 546 1HH2 ARG 74 2HH1 ARG 74 -6.738 3.758 -9.366 547 2HH2 ARG 74 1HH1 ARG 74 -7.329 5.269 -9.974 548 H LYS 75 H LYS 75 -7.647 -2.381 -9.484 549 HA LYS 75 HA LYS 75 -5.576 -0.689 -8.542 550 1HB LYS 75 1HB LYS 75 -4.446 -2.599 -8.639 551 2HB LYS 75 2HB LYS 75 -5.866 -3.381 -9.303 552 1HG LYS 75 1HG LYS 75 -5.119 -2.543 -11.614 553 2HG LYS 75 2HG LYS 75 -3.616 -2.038 -10.866 554 1HD LYS 75 1HD LYS 75 -3.091 -4.331 -10.199 555 2HD LYS 75 2HD LYS 75 -4.680 -4.893 -10.680 556 1HE LYS 75 1HE LYS 75 -3.883 -5.301 -12.763 557 2HE LYS 75 2HE LYS 75 -3.598 -3.585 -12.975 558 1HZ LYS 75 3HZ LYS 75 -1.620 -4.868 -11.376 559 2HZ LYS 75 1HZ LYS 75 -1.696 -5.463 -12.895 560 3HZ LYS 75 2HZ LYS 75 -1.437 -3.868 -12.654 No H/Q in entry = 560 Start of MODEL 14 1 H MET 0 H MET 0 -30.815 -20.178 -0.391 2 HA MET 0 HA MET 0 -29.956 -22.904 -0.930 3 1HB MET 0 1HB MET 0 -32.382 -21.219 -1.702 4 2HB MET 0 2HB MET 0 -32.011 -22.683 -2.590 5 1HG MET 0 1HG MET 0 -32.559 -24.077 -0.813 6 2HG MET 0 2HG MET 0 -32.006 -22.937 0.398 7 1HE MET 0 3HE MET 0 -32.931 -20.697 0.609 8 2HE MET 0 1HE MET 0 -34.650 -20.252 0.484 9 3HE MET 0 2HE MET 0 -34.101 -21.325 1.794 10 H ALA 1 H ALA 1 -28.311 -20.478 -1.520 11 HA ALA 1 HA ALA 1 -27.948 -21.027 -4.353 12 1HB ALA 1 2HB ALA 1 -29.308 -18.730 -3.469 13 2HB ALA 1 3HB ALA 1 -27.651 -18.177 -3.812 14 3HB ALA 1 1HB ALA 1 -28.596 -18.997 -5.078 15 H ASP 2 H ASP 2 -25.957 -18.948 -4.692 16 HA ASP 2 HA ASP 2 -24.008 -19.863 -2.725 17 1HB ASP 2 1HB ASP 2 -22.304 -19.577 -4.595 18 2HB ASP 2 2HB ASP 2 -23.432 -20.898 -4.821 19 H GLN 3 H GLN 3 -22.043 -18.233 -2.650 20 HA GLN 3 HA GLN 3 -21.970 -15.790 -3.675 21 1HB GLN 3 1HB GLN 3 -24.266 -15.950 -1.894 22 2HB GLN 3 2HB GLN 3 -23.118 -14.782 -1.271 23 1HG GLN 3 1HG GLN 3 -23.064 -14.080 -3.908 24 2HG GLN 3 2HG GLN 3 -24.691 -14.726 -3.824 25 1HE2 GLN 3 2HE2 GLN 3 -23.745 -11.092 -2.304 26 2HE2 GLN 3 1HE2 GLN 3 -22.658 -12.109 -3.190 27 H LEU 4 H LEU 4 -20.036 -14.895 -3.002 28 HA LEU 4 HA LEU 4 -18.673 -16.249 -0.873 29 1HB LEU 4 1HB LEU 4 -16.830 -14.643 -1.546 30 2HB LEU 4 2HB LEU 4 -17.339 -15.846 -2.715 31 HG LEU 4 HG LEU 4 -18.749 -13.268 -2.960 32 1HD1 LEU 4 3HD1 LEU 4 -16.351 -12.682 -2.230 33 2HD1 LEU 4 1HD1 LEU 4 -15.866 -13.290 -3.832 34 3HD1 LEU 4 2HD1 LEU 4 -16.997 -11.921 -3.704 35 1HD2 LEU 4 1HD2 LEU 4 -18.463 -15.467 -4.515 36 2HD2 LEU 4 2HD2 LEU 4 -18.898 -13.854 -5.129 37 3HD2 LEU 4 3HD2 LEU 4 -17.210 -14.412 -5.210 38 H THR 5 H THR 5 -17.242 -14.603 0.584 39 HA THR 5 HA THR 5 -18.746 -12.294 1.421 40 HB THR 5 HB THR 5 -19.642 -13.148 3.390 41 HG1 THR 5 HG1 THR 5 -18.319 -14.485 4.653 42 1HG2 THR 5 3HG2 THR 5 -19.150 -15.730 1.813 43 2HG2 THR 5 1HG2 THR 5 -20.226 -15.598 3.225 44 3HG2 THR 5 2HG2 THR 5 -20.610 -14.714 1.729 45 H GLU 6 H GLU 6 -17.558 -12.003 3.975 46 HA GLU 6 HA GLU 6 -15.295 -10.731 3.386 47 1HB GLU 6 1HB GLU 6 -15.980 -12.230 5.950 48 2HB GLU 6 2HB GLU 6 -14.657 -11.089 5.827 49 1HG GLU 6 1HG GLU 6 -16.343 -9.346 5.017 50 2HG GLU 6 2HG GLU 6 -17.617 -10.495 5.376 51 H GLU 7 H GLU 7 -15.718 -14.235 3.825 52 HA GLU 7 HA GLU 7 -13.291 -15.131 4.389 53 1HB GLU 7 1HB GLU 7 -15.245 -16.146 2.288 54 2HB GLU 7 2HB GLU 7 -13.815 -17.051 2.746 55 1HG GLU 7 1HG GLU 7 -15.102 -16.230 5.182 56 2HG GLU 7 2HG GLU 7 -16.354 -16.862 4.131 57 H GLN 8 H GLN 8 -14.348 -13.770 1.231 58 HA GLN 8 HA GLN 8 -12.058 -14.456 -0.170 59 1HB GLN 8 1HB GLN 8 -14.476 -13.037 -0.651 60 2HB GLN 8 2HB GLN 8 -13.188 -11.931 -1.084 61 1HG GLN 8 1HG GLN 8 -13.671 -14.734 -2.173 62 2HG GLN 8 2HG GLN 8 -13.694 -13.224 -3.062 63 1HE2 GLN 8 2HE2 GLN 8 -10.431 -15.287 -3.279 64 2HE2 GLN 8 1HE2 GLN 8 -12.089 -15.783 -3.199 65 H ILE 9 H ILE 9 -12.920 -11.560 1.801 66 HA ILE 9 HA ILE 9 -10.734 -9.995 1.155 67 HB ILE 9 HB ILE 9 -12.941 -9.752 2.710 68 1HG1 ILE 9 1HG1 ILE 9 -11.542 -7.567 3.493 69 2HG1 ILE 9 2HG1 ILE 9 -10.536 -8.099 2.160 70 1HG2 ILE 9 2HG2 ILE 9 -11.921 -10.975 4.576 71 2HG2 ILE 9 3HG2 ILE 9 -10.591 -9.792 4.625 72 3HG2 ILE 9 1HG2 ILE 9 -12.254 -9.278 5.000 73 1HD1 ILE 9 3HD1 ILE 9 -13.498 -8.098 1.680 74 2HD1 ILE 9 1HD1 ILE 9 -12.693 -6.515 1.796 75 3HD1 ILE 9 2HD1 ILE 9 -12.167 -7.693 0.570 76 H ALA 10 H ALA 10 -11.132 -12.510 3.727 77 HA ALA 10 HA ALA 10 -8.816 -12.265 5.069 78 1HB ALA 10 2HB ALA 10 -10.586 -13.931 5.518 79 2HB ALA 10 3HB ALA 10 -10.086 -14.850 4.078 80 3HB ALA 10 1HB ALA 10 -8.979 -14.694 5.463 81 H GLU 11 H GLU 11 -9.280 -13.522 1.747 82 HA GLU 11 HA GLU 11 -6.660 -14.510 1.532 83 1HB GLU 11 1HB GLU 11 -8.644 -13.696 -0.639 84 2HB GLU 11 2HB GLU 11 -7.188 -14.633 -0.910 85 1HG GLU 11 1HG GLU 11 -8.027 -16.427 0.584 86 2HG GLU 11 2HG GLU 11 -9.452 -15.479 0.960 87 H PHE 12 H PHE 12 -8.284 -11.410 0.663 88 HA PHE 12 HA PHE 12 -6.140 -10.294 -0.720 89 1HB PHE 12 1HB PHE 12 -8.537 -9.316 0.904 90 2HB PHE 12 2HB PHE 12 -7.414 -8.135 0.261 91 HD1 PHE 12 HD2 PHE 12 -8.769 -11.281 -1.225 92 HD2 PHE 12 HD1 PHE 12 -8.472 -7.056 -1.487 93 HE1 PHE 12 HE2 PHE 12 -9.975 -11.332 -3.425 94 HE2 PHE 12 HE1 PHE 12 -9.678 -7.107 -3.687 95 HZ PHE 12 HZ PHE 12 -10.416 -9.245 -4.630 96 H LYS 13 H LYS 13 -6.852 -10.601 2.762 97 HA LYS 13 HA LYS 13 -5.428 -8.668 3.921 98 1HB LYS 13 1HB LYS 13 -5.599 -11.606 4.609 99 2HB LYS 13 2HB LYS 13 -4.787 -10.454 5.649 100 1HG LYS 13 1HG LYS 13 -7.035 -9.053 5.376 101 2HG LYS 13 2HG LYS 13 -7.720 -10.596 4.908 102 1HD LYS 13 1HD LYS 13 -6.759 -11.581 7.065 103 2HD LYS 13 2HD LYS 13 -6.307 -9.955 7.537 104 1HE LYS 13 1HE LYS 13 -8.682 -9.230 7.411 105 2HE LYS 13 2HE LYS 13 -9.158 -10.823 6.859 106 1HZ LYS 13 2HZ LYS 13 -7.633 -10.885 9.260 107 2HZ LYS 13 3HZ LYS 13 -9.026 -10.048 9.420 108 3HZ LYS 13 1HZ LYS 13 -9.059 -11.601 8.916 109 H GLU 14 H GLU 14 -3.941 -11.792 2.797 110 HA GLU 14 HA GLU 14 -1.370 -11.132 3.343 111 1HB GLU 14 1HB GLU 14 -2.450 -12.778 1.014 112 2HB GLU 14 2HB GLU 14 -0.776 -12.783 1.530 113 1HG GLU 14 1HG GLU 14 -1.926 -13.294 3.931 114 2HG GLU 14 2HG GLU 14 -3.192 -13.935 2.902 115 H ALA 15 H ALA 15 -3.345 -10.316 0.442 116 HA ALA 15 HA ALA 15 -1.406 -9.333 -1.209 117 1HB ALA 15 2HB ALA 15 -4.037 -9.569 -1.390 118 2HB ALA 15 3HB ALA 15 -4.013 -7.860 -0.894 119 3HB ALA 15 1HB ALA 15 -3.169 -8.368 -2.376 120 H PHE 16 H PHE 16 -3.230 -7.534 1.369 121 HA PHE 16 HA PHE 16 -2.013 -5.104 1.040 122 1HB PHE 16 1HB PHE 16 -3.961 -5.744 2.548 123 2HB PHE 16 2HB PHE 16 -2.849 -6.600 3.598 124 HD1 PHE 16 HD2 PHE 16 -3.845 -3.259 2.397 125 HD2 PHE 16 HD1 PHE 16 -1.543 -5.438 5.217 126 HE1 PHE 16 HE2 PHE 16 -3.474 -1.157 3.718 127 HE2 PHE 16 HE1 PHE 16 -1.171 -3.337 6.538 128 HZ PHE 16 HZ PHE 16 -2.142 -1.221 5.773 129 H SER 17 H SER 17 -0.845 -8.031 2.756 130 HA SER 17 HA SER 17 1.165 -6.893 4.202 131 1HB SER 17 1HB SER 17 0.264 -9.418 3.862 132 2HB SER 17 2HB SER 17 1.699 -9.529 2.862 133 HG SER 17 HG SER 17 3.012 -8.997 4.638 134 H LEU 18 H LEU 18 1.276 -8.245 0.828 135 HA LEU 18 HA LEU 18 3.829 -8.000 0.161 136 1HB LEU 18 1HB LEU 18 1.302 -7.871 -1.205 137 2HB LEU 18 2HB LEU 18 2.440 -6.782 -1.972 138 HG LEU 18 HG LEU 18 3.976 -9.035 -1.668 139 1HD1 LEU 18 2HD1 LEU 18 1.853 -10.194 -0.848 140 2HD1 LEU 18 3HD1 LEU 18 1.282 -10.086 -2.531 141 3HD1 LEU 18 1HD1 LEU 18 2.769 -10.989 -2.151 142 1HD2 LEU 18 2HD2 LEU 18 3.371 -7.448 -3.682 143 2HD2 LEU 18 3HD2 LEU 18 4.035 -9.077 -3.958 144 3HD2 LEU 18 1HD2 LEU 18 2.286 -8.788 -4.125 145 H PHE 19 H PHE 19 1.506 -5.217 0.255 146 HA PHE 19 HA PHE 19 3.586 -3.354 -0.315 147 1HB PHE 19 1HB PHE 19 0.679 -3.265 0.665 148 2HB PHE 19 2HB PHE 19 1.600 -1.789 0.454 149 HD1 PHE 19 HD2 PHE 19 0.135 -4.675 -1.306 150 HD2 PHE 19 HD1 PHE 19 2.012 -0.891 -1.722 151 HE1 PHE 19 HE2 PHE 19 -0.497 -4.629 -3.734 152 HE2 PHE 19 HE1 PHE 19 1.380 -0.845 -4.151 153 HZ PHE 19 HZ PHE 19 0.133 -2.714 -5.128 154 H ASP 20 H ASP 20 1.776 -4.434 2.618 155 HA ASP 20 HA ASP 20 3.229 -2.567 4.223 156 1HB ASP 20 1HB ASP 20 0.932 -3.016 4.848 157 2HB ASP 20 2HB ASP 20 1.187 -4.749 4.807 158 H LYS 21 H LYS 21 5.450 -3.258 4.165 159 HA LYS 21 HA LYS 21 6.205 -5.961 4.356 160 1HB LYS 21 1HB LYS 21 7.608 -4.240 3.327 161 2HB LYS 21 2HB LYS 21 7.771 -3.414 4.863 162 1HG LYS 21 1HG LYS 21 8.492 -6.095 5.423 163 2HG LYS 21 2HG LYS 21 9.214 -5.764 3.861 164 1HD LYS 21 1HD LYS 21 10.837 -4.519 4.837 165 2HD LYS 21 2HD LYS 21 9.636 -3.446 5.528 166 1HE LYS 21 1HE LYS 21 9.432 -4.786 7.526 167 2HE LYS 21 2HE LYS 21 10.278 -6.138 6.800 168 1HZ LYS 21 1HZ LYS 21 12.014 -4.072 6.596 169 2HZ LYS 21 2HZ LYS 21 11.344 -3.851 8.069 170 3HZ LYS 21 3HZ LYS 21 12.074 -5.267 7.708 171 H ASP 22 H ASP 22 6.419 -3.263 6.789 172 HA ASP 22 HA ASP 22 7.265 -4.724 8.876 173 1HB ASP 22 1HB ASP 22 5.063 -2.641 9.161 174 2HB ASP 22 2HB ASP 22 6.345 -2.998 10.300 175 H GLY 23 H GLY 23 4.137 -4.765 7.252 176 1HA GLY 23 1HA GLY 23 2.289 -6.013 7.529 177 2HA GLY 23 2HA GLY 23 3.240 -7.089 8.532 178 H ASP 24 H ASP 24 3.219 -3.748 9.558 179 HA ASP 24 HA ASP 24 2.169 -4.370 12.020 180 1HB ASP 24 1HB ASP 24 1.934 -1.868 12.277 181 2HB ASP 24 2HB ASP 24 3.512 -2.376 11.709 182 H GLY 25 H GLY 25 0.696 -3.289 8.942 183 1HA GLY 25 1HA GLY 25 -1.662 -4.143 8.774 184 2HA GLY 25 2HA GLY 25 -1.963 -3.223 10.234 185 H THR 26 H THR 26 0.293 -1.297 8.936 186 HA THR 26 HA THR 26 -1.611 0.092 7.167 187 HB THR 26 HB THR 26 -0.684 2.203 8.167 188 HG1 THR 26 HG1 THR 26 1.248 1.796 9.172 189 1HG2 THR 26 3HG2 THR 26 -2.369 0.321 9.529 190 2HG2 THR 26 1HG2 THR 26 -1.217 0.946 10.734 191 3HG2 THR 26 2HG2 THR 26 -2.250 2.073 9.823 192 H ILE 27 H ILE 27 -0.779 1.166 5.349 193 HA ILE 27 HA ILE 27 1.970 0.345 4.718 194 HB ILE 27 HB ILE 27 -0.444 0.657 2.935 195 1HG1 ILE 27 1HG1 ILE 27 1.264 -1.794 3.411 196 2HG1 ILE 27 2HG1 ILE 27 -0.170 -1.441 4.354 197 1HG2 ILE 27 1HG2 ILE 27 1.625 1.561 1.887 198 2HG2 ILE 27 2HG2 ILE 27 2.386 -0.034 2.104 199 3HG2 ILE 27 3HG2 ILE 27 0.958 0.136 1.055 200 1HD1 ILE 27 1HD1 ILE 27 -0.173 -1.584 1.307 201 2HD1 ILE 27 2HD1 ILE 27 -0.572 -2.961 2.362 202 3HD1 ILE 27 3HD1 ILE 27 -1.589 -1.500 2.382 203 H THR 28 H THR 28 3.278 2.067 5.092 204 HA THR 28 HA THR 28 2.280 4.743 4.795 205 HB THR 28 HB THR 28 3.891 4.036 6.583 206 HG1 THR 28 HG1 THR 28 3.838 6.231 5.515 207 1HG2 THR 28 2HG2 THR 28 5.672 3.537 4.150 208 2HG2 THR 28 3HG2 THR 28 6.340 3.871 5.766 209 3HG2 THR 28 1HG2 THR 28 5.339 2.423 5.498 210 H THR 29 H THR 29 4.874 5.791 3.761 211 HA THR 29 HA THR 29 4.137 5.621 0.968 212 HB THR 29 HB THR 29 6.086 7.388 0.928 213 HG1 THR 29 HG1 THR 29 7.066 7.266 2.921 214 1HG2 THR 29 2HG2 THR 29 3.691 7.921 2.763 215 2HG2 THR 29 3HG2 THR 29 4.671 9.150 1.928 216 3HG2 THR 29 1HG2 THR 29 3.641 8.044 0.988 217 H LYS 30 H LYS 30 7.178 5.115 2.887 218 HA LYS 30 HA LYS 30 8.680 4.119 0.819 219 1HB LYS 30 1HB LYS 30 9.189 4.697 3.360 220 2HB LYS 30 2HB LYS 30 8.988 2.969 3.568 221 1HG LYS 30 1HG LYS 30 10.792 2.447 2.107 222 2HG LYS 30 2HG LYS 30 10.745 4.017 1.329 223 1HD LYS 30 1HD LYS 30 11.679 5.117 3.283 224 2HD LYS 30 2HD LYS 30 11.464 3.687 4.273 225 1HE LYS 30 1HE LYS 30 13.451 2.813 3.593 226 2HE LYS 30 2HE LYS 30 13.045 3.033 1.903 227 1HZ LYS 30 1HZ LYS 30 13.948 5.241 3.610 228 2HZ LYS 30 2HZ LYS 30 14.970 4.333 2.717 229 3HZ LYS 30 3HZ LYS 30 13.822 5.233 1.982 230 H GLU 31 H GLU 31 6.682 2.246 3.209 231 HA GLU 31 HA GLU 31 7.158 -0.212 2.129 232 1HB GLU 31 1HB GLU 31 4.636 0.841 3.484 233 2HB GLU 31 2HB GLU 31 4.960 -0.858 3.201 234 1HG GLU 31 1HG GLU 31 7.093 -0.642 4.534 235 2HG GLU 31 2HG GLU 31 6.692 1.032 4.865 236 H LEU 32 H LEU 32 5.346 2.457 0.815 237 HA LEU 32 HA LEU 32 3.781 0.755 -0.931 238 1HB LEU 32 1HB LEU 32 2.958 2.873 0.208 239 2HB LEU 32 2HB LEU 32 3.957 3.764 -0.923 240 HG LEU 32 HG LEU 32 2.540 2.142 -2.623 241 1HD1 LEU 32 1HD1 LEU 32 1.011 2.383 -0.111 242 2HD1 LEU 32 2HD1 LEU 32 0.115 2.806 -1.589 243 3HD1 LEU 32 3HD1 LEU 32 0.877 1.205 -1.438 244 1HD2 LEU 32 2HD2 LEU 32 2.524 4.953 -1.805 245 2HD2 LEU 32 3HD2 LEU 32 2.485 4.224 -3.428 246 3HD2 LEU 32 1HD2 LEU 32 0.978 4.408 -2.499 247 H GLY 33 H GLY 33 6.554 3.053 -1.040 248 1HA GLY 33 1HA GLY 33 6.885 2.785 -3.881 249 2HA GLY 33 2HA GLY 33 7.951 3.589 -2.746 250 H THR 34 H THR 34 7.584 0.777 -1.165 251 HA THR 34 HA THR 34 10.084 -0.253 -2.073 252 HB THR 34 HB THR 34 8.104 -0.680 0.118 253 HG1 THR 34 HG1 THR 34 10.015 0.035 0.967 254 1HG2 THR 34 2HG2 THR 34 9.821 -2.923 -1.034 255 2HG2 THR 34 3HG2 THR 34 9.451 -2.843 0.706 256 3HG2 THR 34 1HG2 THR 34 8.132 -3.007 -0.478 257 H VAL 35 H VAL 35 6.844 -1.877 -1.863 258 HA VAL 35 HA VAL 35 7.444 -4.051 -3.359 259 HB VAL 35 HB VAL 35 4.994 -2.460 -2.814 260 1HG1 VAL 35 3HG1 VAL 35 4.702 -2.994 -5.185 261 2HG1 VAL 35 1HG1 VAL 35 5.055 -4.707 -4.857 262 3HG1 VAL 35 2HG1 VAL 35 3.591 -3.954 -4.180 263 1HG2 VAL 35 3HG2 VAL 35 6.060 -5.207 -2.231 264 2HG2 VAL 35 1HG2 VAL 35 5.403 -3.979 -1.122 265 3HG2 VAL 35 2HG2 VAL 35 4.305 -4.916 -2.163 266 H MET 36 H MET 36 6.932 -0.704 -4.446 267 HA MET 36 HA MET 36 6.520 -1.296 -7.131 268 1HB MET 36 1HB MET 36 7.740 1.144 -5.724 269 2HB MET 36 2HB MET 36 7.285 1.140 -7.417 270 1HG MET 36 1HG MET 36 5.053 0.124 -5.868 271 2HG MET 36 2HG MET 36 5.600 1.620 -5.137 272 1HE MET 36 3HE MET 36 3.211 0.226 -7.211 273 2HE MET 36 1HE MET 36 2.685 1.704 -6.370 274 3HE MET 36 2HE MET 36 2.605 1.615 -8.146 275 H ARG 37 H ARG 37 9.509 -0.601 -5.220 276 HA ARG 37 HA ARG 37 11.176 -0.623 -7.458 277 1HB ARG 37 1HB ARG 37 11.542 -0.758 -4.466 278 2HB ARG 37 2HB ARG 37 12.911 -1.211 -5.461 279 1HG ARG 37 1HG ARG 37 13.308 0.945 -6.108 280 2HG ARG 37 2HG ARG 37 11.613 1.260 -6.420 281 1HD ARG 37 1HD ARG 37 12.837 2.535 -4.448 282 2HD ARG 37 2HD ARG 37 11.190 1.979 -4.226 283 HE ARG 37 HE ARG 37 11.949 0.318 -2.725 284 1HH1 ARG 37 2HH2 ARG 37 14.677 1.865 -4.322 285 2HH1 ARG 37 1HH2 ARG 37 15.856 1.167 -3.262 286 1HH2 ARG 37 2HH1 ARG 37 13.505 -0.602 -1.327 287 2HH2 ARG 37 1HH1 ARG 37 15.185 -0.245 -1.548 288 H SER 38 H SER 38 9.740 -3.119 -5.418 289 HA SER 38 HA SER 38 11.637 -5.094 -6.279 290 1HB SER 38 1HB SER 38 10.385 -6.623 -4.831 291 2HB SER 38 2HB SER 38 10.717 -5.134 -3.969 292 HG SER 38 HG SER 38 8.313 -4.972 -5.339 293 H LEU 39 H LEU 39 9.225 -3.509 -7.824 294 HA LEU 39 HA LEU 39 8.306 -5.933 -9.209 295 1HB LEU 39 1HB LEU 39 6.616 -4.583 -7.858 296 2HB LEU 39 2HB LEU 39 6.811 -3.322 -9.059 297 HG LEU 39 HG LEU 39 6.263 -5.936 -10.263 298 1HD1 LEU 39 3HD1 LEU 39 5.020 -6.275 -8.178 299 2HD1 LEU 39 1HD1 LEU 39 4.149 -4.746 -8.446 300 3HD1 LEU 39 2HD1 LEU 39 3.930 -6.105 -9.575 301 1HD2 LEU 39 2HD2 LEU 39 5.908 -3.200 -10.844 302 2HD2 LEU 39 3HD2 LEU 39 5.494 -4.603 -11.859 303 3HD2 LEU 39 1HD2 LEU 39 4.279 -3.912 -10.757 304 H GLY 40 H GLY 40 8.200 -2.400 -9.987 305 1HA GLY 40 1HA GLY 40 10.335 -2.435 -11.820 306 2HA GLY 40 2HA GLY 40 8.847 -2.766 -12.685 307 H GLN 41 H GLN 41 9.093 -0.760 -9.711 308 HA GLN 41 HA GLN 41 8.731 1.596 -11.366 309 1HB GLN 41 1HB GLN 41 6.807 0.486 -9.355 310 2HB GLN 41 2HB GLN 41 7.044 2.222 -9.327 311 1HG GLN 41 1HG GLN 41 6.698 2.106 -11.925 312 2HG GLN 41 2HG GLN 41 6.052 0.504 -11.630 313 1HE2 GLN 41 2HE2 GLN 41 3.020 1.505 -10.207 314 2HE2 GLN 41 1HE2 GLN 41 4.143 0.224 -10.519 315 H ASN 42 H ASN 42 8.528 3.569 -9.470 316 HA ASN 42 HA ASN 42 10.002 3.243 -7.186 317 1HB ASN 42 1HB ASN 42 11.801 2.881 -9.128 318 2HB ASN 42 2HB ASN 42 11.738 4.627 -9.261 319 1HD2 ASN 42 2HD2 ASN 42 14.449 4.356 -6.980 320 2HD2 ASN 42 1HD2 ASN 42 14.009 4.392 -8.655 321 HA PRO 43 HA PRO 43 7.974 7.254 -8.201 322 1HB PRO 43 1HB PRO 43 5.875 7.111 -6.456 323 2HB PRO 43 2HB PRO 43 5.755 6.639 -8.140 324 1HG PRO 43 1HG PRO 43 5.906 4.920 -5.739 325 2HG PRO 43 2HG PRO 43 5.368 4.505 -7.355 326 1HD PRO 43 1HD PRO 43 7.891 3.840 -6.162 327 2HD PRO 43 2HD PRO 43 7.398 3.527 -7.814 328 H THR 44 H THR 44 8.282 9.240 -7.238 329 HA THR 44 HA THR 44 10.023 9.119 -4.986 330 HB THR 44 HB THR 44 9.820 11.663 -5.254 331 HG1 THR 44 HG1 THR 44 8.264 12.326 -6.751 332 1HG2 THR 44 1HG2 THR 44 11.370 10.136 -6.731 333 2HG2 THR 44 2HG2 THR 44 10.129 10.355 -7.988 334 3HG2 THR 44 3HG2 THR 44 10.994 11.767 -7.335 335 H GLU 45 H GLU 45 9.672 10.411 -2.967 336 HA GLU 45 HA GLU 45 7.527 9.379 -1.617 337 1HB GLU 45 1HB GLU 45 9.630 11.411 -1.110 338 2HB GLU 45 2HB GLU 45 8.186 11.628 -0.141 339 1HG GLU 45 1HG GLU 45 8.328 9.178 0.518 340 2HG GLU 45 2HG GLU 45 9.848 9.073 -0.348 341 H ALA 46 H ALA 46 7.669 12.048 -3.833 342 HA ALA 46 HA ALA 46 5.440 13.469 -2.721 343 1HB ALA 46 3HB ALA 46 7.479 14.265 -4.221 344 2HB ALA 46 1HB ALA 46 6.401 13.789 -5.554 345 3HB ALA 46 2HB ALA 46 5.879 15.026 -4.385 346 H GLU 47 H GLU 47 6.058 11.203 -5.473 347 HA GLU 47 HA GLU 47 3.494 11.311 -6.492 348 1HB GLU 47 1HB GLU 47 5.386 10.360 -7.734 349 2HB GLU 47 2HB GLU 47 5.562 9.071 -6.560 350 1HG GLU 47 1HG GLU 47 4.148 7.838 -7.836 351 2HG GLU 47 2HG GLU 47 2.858 8.901 -7.309 352 H LEU 48 H LEU 48 4.986 8.729 -4.396 353 HA LEU 48 HA LEU 48 2.835 7.180 -3.963 354 1HB LEU 48 1HB LEU 48 4.875 8.031 -1.903 355 2HB LEU 48 2HB LEU 48 3.832 6.628 -1.787 356 HG LEU 48 HG LEU 48 5.654 6.905 -4.157 357 1HD1 LEU 48 1HD1 LEU 48 6.851 7.303 -1.859 358 2HD1 LEU 48 2HD1 LEU 48 6.664 5.541 -1.687 359 3HD1 LEU 48 3HD1 LEU 48 7.559 6.210 -3.073 360 1HD2 LEU 48 2HD2 LEU 48 4.397 4.614 -2.644 361 2HD2 LEU 48 3HD2 LEU 48 4.156 5.097 -4.341 362 3HD2 LEU 48 1HD2 LEU 48 5.704 4.382 -3.830 363 H GLN 49 H GLN 49 3.690 10.081 -1.943 364 HA GLN 49 HA GLN 49 1.688 10.110 -0.232 365 1HB GLN 49 1HB GLN 49 3.540 11.959 -1.098 366 2HB GLN 49 2HB GLN 49 2.047 12.751 -1.558 367 1HG GLN 49 1HG GLN 49 2.339 13.502 0.654 368 2HG GLN 49 2HG GLN 49 1.230 12.162 0.867 369 1HE2 GLN 49 2HE2 GLN 49 3.270 10.671 3.216 370 2HE2 GLN 49 1HE2 GLN 49 1.703 11.176 2.676 371 H ASP 50 H ASP 50 1.449 11.099 -3.695 372 HA ASP 50 HA ASP 50 -1.205 11.948 -3.486 373 1HB ASP 50 1HB ASP 50 0.813 11.925 -5.443 374 2HB ASP 50 2HB ASP 50 -0.409 10.864 -6.117 375 H MET 51 H MET 51 0.449 8.885 -4.491 376 HA MET 51 HA MET 51 -1.822 7.557 -5.345 377 1HB MET 51 1HB MET 51 0.740 6.453 -4.062 378 2HB MET 51 2HB MET 51 -0.381 5.508 -5.022 379 1HG MET 51 1HG MET 51 0.143 6.718 -7.035 380 2HG MET 51 2HG MET 51 0.916 8.019 -6.152 381 1HE MET 51 3HE MET 51 2.186 6.961 -8.504 382 2HE MET 51 1HE MET 51 3.525 5.801 -8.325 383 3HE MET 51 2HE MET 51 1.849 5.214 -8.451 384 H ILE 52 H ILE 52 -0.325 7.920 -2.101 385 HA ILE 52 HA ILE 52 -1.890 5.952 -0.841 386 HB ILE 52 HB ILE 52 -0.318 8.325 0.134 387 1HG1 ILE 52 1HG1 ILE 52 0.185 5.425 -0.282 388 2HG1 ILE 52 2HG1 ILE 52 1.258 6.797 -0.476 389 1HG2 ILE 52 2HG2 ILE 52 -2.435 7.391 1.545 390 2HG2 ILE 52 3HG2 ILE 52 -1.152 6.299 2.118 391 3HG2 ILE 52 1HG2 ILE 52 -0.957 8.061 2.276 392 1HD1 ILE 52 3HD1 ILE 52 1.016 6.988 2.170 393 2HD1 ILE 52 1HD1 ILE 52 0.554 5.274 2.032 394 3HD1 ILE 52 2HD1 ILE 52 2.146 5.816 1.449 395 H ASN 53 H ASN 53 -2.229 9.550 -1.135 396 HA ASN 53 HA ASN 53 -4.561 9.689 0.332 397 1HB ASN 53 1HB ASN 53 -3.276 11.415 -1.811 398 2HB ASN 53 2HB ASN 53 -4.885 11.826 -1.250 399 1HD2 ASN 53 2HD2 ASN 53 -1.808 13.201 0.753 400 2HD2 ASN 53 1HD2 ASN 53 -1.925 12.785 -0.925 401 H GLU 54 H GLU 54 -3.863 9.144 -3.167 402 HA GLU 54 HA GLU 54 -6.210 9.512 -4.338 403 1HB GLU 54 1HB GLU 54 -4.033 7.482 -4.708 404 2HB GLU 54 2HB GLU 54 -5.522 7.207 -5.590 405 1HG GLU 54 1HG GLU 54 -5.127 9.911 -6.039 406 2HG GLU 54 2HG GLU 54 -3.473 9.337 -5.953 407 H VAL 55 H VAL 55 -5.384 6.899 -2.055 408 HA VAL 55 HA VAL 55 -8.125 5.884 -2.351 409 HB VAL 55 HB VAL 55 -6.882 3.933 -1.005 410 1HG1 VAL 55 1HG1 VAL 55 -8.163 3.800 -3.156 411 2HG1 VAL 55 2HG1 VAL 55 -6.664 4.218 -4.019 412 3HG1 VAL 55 3HG1 VAL 55 -6.757 2.711 -3.075 413 1HG2 VAL 55 3HG2 VAL 55 -4.712 5.158 -1.018 414 2HG2 VAL 55 1HG2 VAL 55 -4.628 3.567 -1.812 415 3HG2 VAL 55 2HG2 VAL 55 -4.697 5.049 -2.794 416 H ASP 56 H ASP 56 -5.472 6.624 0.005 417 HA ASP 56 HA ASP 56 -7.023 6.256 2.253 418 1HB ASP 56 1HB ASP 56 -4.642 6.412 2.499 419 2HB ASP 56 2HB ASP 56 -4.568 7.938 1.642 420 H ALA 57 H ALA 57 -9.071 7.324 2.192 421 HA ALA 57 HA ALA 57 -9.121 10.145 1.500 422 1HB ALA 57 3HB ALA 57 -11.096 7.910 1.801 423 2HB ALA 57 1HB ALA 57 -11.675 9.570 2.074 424 3HB ALA 57 2HB ALA 57 -10.940 9.129 0.514 425 H ASP 58 H ASP 58 -8.526 8.211 4.225 426 HA ASP 58 HA ASP 58 -9.973 9.756 6.098 427 1HB ASP 58 1HB ASP 58 -8.682 8.475 7.778 428 2HB ASP 58 2HB ASP 58 -9.341 7.412 6.551 429 H GLY 59 H GLY 59 -6.826 9.854 4.477 430 1HA GLY 59 1HA GLY 59 -5.070 11.252 4.595 431 2HA GLY 59 2HA GLY 59 -6.215 12.464 5.136 432 H ASN 60 H ASN 60 -5.379 9.388 6.828 433 HA ASN 60 HA ASN 60 -4.554 11.037 9.067 434 1HB ASN 60 1HB ASN 60 -5.235 9.274 10.471 435 2HB ASN 60 2HB ASN 60 -6.346 9.065 9.132 436 1HD2 ASN 60 2HD2 ASN 60 -4.542 5.867 10.185 437 2HD2 ASN 60 1HD2 ASN 60 -5.281 7.152 11.081 438 H GLY 61 H GLY 61 -3.280 9.388 6.413 439 1HA GLY 61 1HA GLY 61 -0.984 9.240 6.010 440 2HA GLY 61 2HA GLY 61 -0.676 9.081 7.728 441 H THR 62 H THR 62 0.061 7.360 5.290 442 HA THR 62 HA THR 62 0.349 5.198 4.860 443 HB THR 62 HB THR 62 0.671 3.839 6.730 444 HG1 THR 62 HG1 THR 62 -1.695 5.165 7.849 445 1HG2 THR 62 1HG2 THR 62 1.240 6.411 7.342 446 2HG2 THR 62 2HG2 THR 62 -0.101 6.170 8.486 447 3HG2 THR 62 3HG2 THR 62 1.338 5.126 8.570 448 H ILE 63 H ILE 63 -0.867 2.975 4.711 449 HA ILE 63 HA ILE 63 -3.696 3.587 4.214 450 HB ILE 63 HB ILE 63 -1.804 1.994 2.482 451 1HG1 ILE 63 1HG1 ILE 63 -2.247 4.752 2.575 452 2HG1 ILE 63 2HG1 ILE 63 -1.458 3.845 1.300 453 1HG2 ILE 63 3HG2 ILE 63 -4.105 1.029 2.653 454 2HG2 ILE 63 1HG2 ILE 63 -4.739 2.561 2.005 455 3HG2 ILE 63 2HG2 ILE 63 -3.645 1.562 1.018 456 1HD1 ILE 63 3HD1 ILE 63 -3.688 3.460 0.212 457 2HD1 ILE 63 1HD1 ILE 63 -4.444 4.457 1.479 458 3HD1 ILE 63 2HD1 ILE 63 -3.280 5.187 0.348 459 H ASP 64 H ASP 64 -5.170 2.100 4.968 460 HA ASP 64 HA ASP 64 -3.975 -0.083 6.459 461 1HB ASP 64 1HB ASP 64 -6.772 1.144 6.561 462 2HB ASP 64 2HB ASP 64 -6.245 -0.189 7.569 463 H PHE 65 H PHE 65 -6.114 -1.872 6.646 464 HA PHE 65 HA PHE 65 -6.070 -3.120 4.133 465 1HB PHE 65 1HB PHE 65 -6.366 -4.046 6.566 466 2HB PHE 65 2HB PHE 65 -8.029 -3.503 6.470 467 HD1 PHE 65 HD1 PHE 65 -6.029 -5.079 3.766 468 HD2 PHE 65 HD2 PHE 65 -9.205 -5.526 6.544 469 HE1 PHE 65 HE1 PHE 65 -6.675 -7.248 2.679 470 HE2 PHE 65 HE2 PHE 65 -9.851 -7.694 5.458 471 HZ PHE 65 HZ PHE 65 -8.578 -8.529 3.538 472 HA PRO 66 HA PRO 66 -10.532 -1.518 3.894 473 1HB PRO 66 1HB PRO 66 -11.316 0.519 5.539 474 2HB PRO 66 2HB PRO 66 -11.633 -1.169 5.886 475 1HG PRO 66 1HG PRO 66 -9.635 0.631 7.112 476 2HG PRO 66 2HG PRO 66 -10.254 -0.894 7.714 477 1HD PRO 66 1HD PRO 66 -7.705 -0.445 6.478 478 2HD PRO 66 2HD PRO 66 -8.373 -1.988 6.974 479 H GLU 67 H GLU 67 -7.741 0.281 4.070 480 HA GLU 67 HA GLU 67 -8.927 2.361 2.429 481 1HB GLU 67 1HB GLU 67 -6.072 2.352 3.453 482 2HB GLU 67 2HB GLU 67 -7.054 3.726 2.985 483 1HG GLU 67 1HG GLU 67 -8.005 1.980 5.264 484 2HG GLU 67 2HG GLU 67 -6.696 3.106 5.561 485 H PHE 68 H PHE 68 -6.774 -0.434 2.390 486 HA PHE 68 HA PHE 68 -5.755 0.283 -0.234 487 1HB PHE 68 1HB PHE 68 -4.043 -0.728 1.035 488 2HB PHE 68 2HB PHE 68 -5.181 -1.614 2.031 489 HD1 PHE 68 HD1 PHE 68 -6.351 -3.644 0.944 490 HD2 PHE 68 HD2 PHE 68 -2.866 -1.824 -0.653 491 HE1 PHE 68 HE1 PHE 68 -5.850 -5.737 -0.347 492 HE2 PHE 68 HE2 PHE 68 -2.365 -3.918 -1.944 493 HZ PHE 68 HZ PHE 68 -3.863 -5.849 -1.776 494 H LEU 69 H LEU 69 -8.099 -1.857 1.367 495 HA LEU 69 HA LEU 69 -8.428 -3.837 -0.455 496 1HB LEU 69 1HB LEU 69 -10.241 -2.389 1.413 497 2HB LEU 69 2HB LEU 69 -10.968 -3.469 0.240 498 HG LEU 69 HG LEU 69 -8.734 -4.376 2.059 499 1HD1 LEU 69 3HD1 LEU 69 -11.676 -4.146 2.653 500 2HD1 LEU 69 1HD1 LEU 69 -10.674 -5.405 3.415 501 3HD1 LEU 69 2HD1 LEU 69 -10.279 -3.686 3.656 502 1HD2 LEU 69 1HD2 LEU 69 -9.388 -5.685 -0.017 503 2HD2 LEU 69 2HD2 LEU 69 -9.414 -6.571 1.526 504 3HD2 LEU 69 3HD2 LEU 69 -10.937 -6.011 0.796 505 H THR 70 H THR 70 -9.302 -0.400 -0.741 506 HA THR 70 HA THR 70 -10.960 -0.741 -3.026 507 HB THR 70 HB THR 70 -11.298 1.232 -1.723 508 HG1 THR 70 HG1 THR 70 -11.258 2.228 -3.702 509 1HG2 THR 70 1HG2 THR 70 -8.261 1.445 -1.813 510 2HG2 THR 70 2HG2 THR 70 -9.264 2.886 -1.525 511 3HG2 THR 70 3HG2 THR 70 -9.331 1.515 -0.392 512 H MET 71 H MET 71 -7.460 -0.183 -2.506 513 HA MET 71 HA MET 71 -6.783 0.537 -5.039 514 1HB MET 71 1HB MET 71 -5.494 -0.300 -2.639 515 2HB MET 71 2HB MET 71 -4.880 -1.390 -3.866 516 1HG MET 71 1HG MET 71 -4.875 1.219 -5.047 517 2HG MET 71 2HG MET 71 -4.226 1.414 -3.431 518 1HE MET 71 3HE MET 71 -3.540 1.188 -6.687 519 2HE MET 71 1HE MET 71 -1.967 0.390 -6.923 520 3HE MET 71 2HE MET 71 -3.468 -0.564 -6.995 521 H MET 72 H MET 72 -6.961 -2.824 -3.665 522 HA MET 72 HA MET 72 -6.215 -4.115 -5.972 523 1HB MET 72 1HB MET 72 -8.088 -4.938 -3.687 524 2HB MET 72 2HB MET 72 -7.507 -6.071 -4.891 525 1HG MET 72 1HG MET 72 -5.275 -4.529 -3.786 526 2HG MET 72 2HG MET 72 -6.187 -5.290 -2.498 527 1HE MET 72 3HE MET 72 -3.306 -5.520 -3.744 528 2HE MET 72 1HE MET 72 -2.873 -7.191 -4.180 529 3HE MET 72 2HE MET 72 -3.525 -6.088 -5.416 530 H ALA 73 H ALA 73 -9.478 -3.093 -4.808 531 HA ALA 73 HA ALA 73 -11.016 -4.367 -6.701 532 1HB ALA 73 2HB ALA 73 -11.892 -3.199 -4.722 533 2HB ALA 73 3HB ALA 73 -11.390 -1.635 -5.408 534 3HB ALA 73 1HB ALA 73 -12.668 -2.587 -6.202 535 H ARG 74 H ARG 74 -9.337 -1.163 -6.857 536 HA ARG 74 HA ARG 74 -9.938 -1.193 -9.703 537 1HB ARG 74 1HB ARG 74 -9.170 1.357 -9.365 538 2HB ARG 74 2HB ARG 74 -10.811 0.856 -9.010 539 1HG ARG 74 1HG ARG 74 -10.342 0.683 -6.633 540 2HG ARG 74 2HG ARG 74 -8.616 0.840 -6.894 541 1HD ARG 74 1HD ARG 74 -10.436 3.065 -7.847 542 2HD ARG 74 2HD ARG 74 -10.077 2.946 -6.136 543 HE ARG 74 HE ARG 74 -7.676 2.766 -7.791 544 1HH1 ARG 74 2HH2 ARG 74 -9.936 4.992 -6.267 545 2HH1 ARG 74 1HH2 ARG 74 -8.803 6.302 -6.207 546 1HH2 ARG 74 2HH1 ARG 74 -6.182 4.493 -7.711 547 2HH2 ARG 74 1HH1 ARG 74 -6.654 6.015 -7.033 548 H LYS 75 H LYS 75 -7.973 -2.843 -9.493 549 HA LYS 75 HA LYS 75 -5.450 -2.148 -8.814 550 1HB LYS 75 1HB LYS 75 -6.700 -4.058 -10.678 551 2HB LYS 75 2HB LYS 75 -5.046 -3.647 -11.084 552 1HG LYS 75 1HG LYS 75 -4.206 -4.403 -8.982 553 2HG LYS 75 2HG LYS 75 -5.784 -4.340 -8.222 554 1HD LYS 75 1HD LYS 75 -5.160 -6.682 -8.682 555 2HD LYS 75 2HD LYS 75 -6.563 -6.236 -9.632 556 1HE LYS 75 1HE LYS 75 -5.453 -6.497 -11.616 557 2HE LYS 75 2HE LYS 75 -4.031 -5.650 -11.038 558 1HZ LYS 75 3HZ LYS 75 -4.313 -8.130 -9.739 559 2HZ LYS 75 1HZ LYS 75 -4.302 -8.339 -11.358 560 3HZ LYS 75 2HZ LYS 75 -3.062 -7.569 -10.626 No H/Q in entry = 560 Start of MODEL 15 1 H MET 0 H MET 0 -25.441 -8.654 7.221 2 HA MET 0 HA MET 0 -25.136 -7.938 9.252 3 1HB MET 0 1HB MET 0 -24.463 -10.571 9.290 4 2HB MET 0 2HB MET 0 -22.905 -9.922 9.763 5 1HG MET 0 1HG MET 0 -25.199 -8.712 11.222 6 2HG MET 0 2HG MET 0 -25.009 -10.431 11.504 7 1HE MET 0 2HE MET 0 -23.149 -11.571 12.055 8 2HE MET 0 3HE MET 0 -21.594 -10.986 12.692 9 3HE MET 0 1HE MET 0 -23.018 -11.066 13.756 10 H ALA 1 H ALA 1 -23.199 -7.063 6.993 11 HA ALA 1 HA ALA 1 -21.815 -5.151 8.408 12 1HB ALA 1 3HB ALA 1 -20.545 -7.752 8.519 13 2HB ALA 1 1HB ALA 1 -19.521 -6.614 7.610 14 3HB ALA 1 2HB ALA 1 -20.036 -6.219 9.268 15 H ASP 2 H ASP 2 -20.140 -4.034 6.936 16 HA ASP 2 HA ASP 2 -21.258 -4.103 4.300 17 1HB ASP 2 1HB ASP 2 -19.473 -2.275 5.885 18 2HB ASP 2 2HB ASP 2 -19.307 -2.214 4.142 19 H GLN 3 H GLN 3 -19.560 -3.871 2.393 20 HA GLN 3 HA GLN 3 -17.782 -4.519 1.295 21 1HB GLN 3 1HB GLN 3 -16.543 -4.021 3.552 22 2HB GLN 3 2HB GLN 3 -16.510 -5.762 3.752 23 1HG GLN 3 1HG GLN 3 -14.806 -5.971 2.268 24 2HG GLN 3 2HG GLN 3 -15.694 -5.091 1.040 25 1HE2 GLN 3 2HE2 GLN 3 -13.278 -2.604 1.159 26 2HE2 GLN 3 1HE2 GLN 3 -14.118 -3.828 0.266 27 H LEU 4 H LEU 4 -16.850 -6.569 0.366 28 HA LEU 4 HA LEU 4 -18.769 -8.535 0.159 29 1HB LEU 4 1HB LEU 4 -16.750 -9.891 -0.731 30 2HB LEU 4 2HB LEU 4 -17.325 -8.479 -1.597 31 HG LEU 4 HG LEU 4 -15.284 -7.716 0.312 32 1HD1 LEU 4 1HD1 LEU 4 -14.620 -9.987 -1.566 33 2HD1 LEU 4 2HD1 LEU 4 -13.391 -8.861 -0.941 34 3HD1 LEU 4 3HD1 LEU 4 -14.330 -9.869 0.186 35 1HD2 LEU 4 3HD2 LEU 4 -16.185 -6.596 -1.853 36 2HD2 LEU 4 1HD2 LEU 4 -14.457 -6.462 -1.450 37 3HD2 LEU 4 2HD2 LEU 4 -14.996 -7.632 -2.678 38 H THR 5 H THR 5 -17.657 -11.039 0.524 39 HA THR 5 HA THR 5 -17.959 -11.321 3.365 40 HB THR 5 HB THR 5 -17.554 -13.810 2.585 41 HG1 THR 5 HG1 THR 5 -17.215 -13.935 0.385 42 1HG2 THR 5 3HG2 THR 5 -19.831 -12.006 1.681 43 2HG2 THR 5 1HG2 THR 5 -19.791 -13.714 1.181 44 3HG2 THR 5 2HG2 THR 5 -19.856 -13.295 2.909 45 H GLU 6 H GLU 6 -16.459 -12.443 4.783 46 HA GLU 6 HA GLU 6 -13.939 -11.299 4.617 47 1HB GLU 6 1HB GLU 6 -14.864 -13.672 6.297 48 2HB GLU 6 2HB GLU 6 -13.413 -12.733 6.588 49 1HG GLU 6 1HG GLU 6 -14.826 -10.670 6.867 50 2HG GLU 6 2HG GLU 6 -16.266 -11.638 6.624 51 H GLU 7 H GLU 7 -15.065 -14.707 4.075 52 HA GLU 7 HA GLU 7 -12.787 -15.978 3.663 53 1HB GLU 7 1HB GLU 7 -15.308 -16.139 1.957 54 2HB GLU 7 2HB GLU 7 -14.018 -17.324 1.884 55 1HG GLU 7 1HG GLU 7 -14.842 -16.784 4.660 56 2HG GLU 7 2HG GLU 7 -16.189 -17.325 3.679 57 H GLN 8 H GLN 8 -14.276 -13.591 1.442 58 HA GLN 8 HA GLN 8 -12.402 -14.111 -0.617 59 1HB GLN 8 1HB GLN 8 -14.712 -12.304 -0.159 60 2HB GLN 8 2HB GLN 8 -13.462 -11.614 -1.175 61 1HG GLN 8 1HG GLN 8 -15.182 -12.880 -2.491 62 2HG GLN 8 2HG GLN 8 -13.563 -13.512 -2.716 63 1HE2 GLN 8 2HE2 GLN 8 -16.380 -16.051 -1.813 64 2HE2 GLN 8 1HE2 GLN 8 -16.462 -14.571 -2.708 65 H ILE 9 H ILE 9 -12.896 -11.473 1.825 66 HA ILE 9 HA ILE 9 -10.768 -9.889 1.080 67 HB ILE 9 HB ILE 9 -12.724 -9.766 2.922 68 1HG1 ILE 9 1HG1 ILE 9 -11.078 -7.796 3.832 69 2HG1 ILE 9 2HG1 ILE 9 -10.313 -8.163 2.299 70 1HG2 ILE 9 2HG2 ILE 9 -11.438 -11.331 4.413 71 2HG2 ILE 9 3HG2 ILE 9 -10.216 -10.049 4.590 72 3HG2 ILE 9 1HG2 ILE 9 -11.883 -9.772 5.149 73 1HD1 ILE 9 1HD1 ILE 9 -13.319 -7.742 2.513 74 2HD1 ILE 9 2HD1 ILE 9 -12.189 -6.389 2.268 75 3HD1 ILE 9 3HD1 ILE 9 -12.302 -7.685 1.053 76 H ALA 10 H ALA 10 -10.879 -12.778 3.233 77 HA ALA 10 HA ALA 10 -8.427 -12.739 4.339 78 1HB ALA 10 3HB ALA 10 -10.064 -14.997 3.150 79 2HB ALA 10 1HB ALA 10 -8.542 -15.298 4.023 80 3HB ALA 10 2HB ALA 10 -9.907 -14.517 4.857 81 H GLU 11 H GLU 11 -9.261 -13.524 0.929 82 HA GLU 11 HA GLU 11 -6.703 -14.390 0.247 83 1HB GLU 11 1HB GLU 11 -8.953 -13.225 -1.449 84 2HB GLU 11 2HB GLU 11 -7.505 -13.946 -2.123 85 1HG GLU 11 1HG GLU 11 -8.028 -16.083 -0.887 86 2HG GLU 11 2HG GLU 11 -9.510 -15.356 -0.298 87 H PHE 12 H PHE 12 -8.315 -11.173 0.214 88 HA PHE 12 HA PHE 12 -6.259 -9.843 -1.159 89 1HB PHE 12 1HB PHE 12 -8.497 -9.107 0.801 90 2HB PHE 12 2HB PHE 12 -7.439 -7.862 0.167 91 HD1 PHE 12 HD1 PHE 12 -9.886 -10.459 -0.823 92 HD2 PHE 12 HD2 PHE 12 -7.783 -6.962 -1.986 93 HE1 PHE 12 HE1 PHE 12 -11.335 -10.266 -2.863 94 HE2 PHE 12 HE2 PHE 12 -9.232 -6.769 -4.027 95 HZ PHE 12 HZ PHE 12 -10.991 -8.424 -4.441 96 H LYS 13 H LYS 13 -6.832 -10.625 2.292 97 HA LYS 13 HA LYS 13 -5.242 -8.925 3.604 98 1HB LYS 13 1HB LYS 13 -5.598 -11.905 3.955 99 2HB LYS 13 2HB LYS 13 -4.662 -10.943 5.082 100 1HG LYS 13 1HG LYS 13 -6.817 -9.368 5.064 101 2HG LYS 13 2HG LYS 13 -7.625 -10.811 4.484 102 1HD LYS 13 1HD LYS 13 -5.948 -11.606 6.683 103 2HD LYS 13 2HD LYS 13 -6.811 -10.166 7.186 104 1HE LYS 13 1HE LYS 13 -8.933 -11.366 6.175 105 2HE LYS 13 2HE LYS 13 -7.961 -12.821 6.264 106 1HZ LYS 13 2HZ LYS 13 -7.565 -12.174 8.638 107 2HZ LYS 13 3HZ LYS 13 -8.760 -11.073 8.473 108 3HZ LYS 13 1HZ LYS 13 -9.081 -12.663 8.278 109 H GLU 14 H GLU 14 -4.028 -11.976 2.038 110 HA GLU 14 HA GLU 14 -1.398 -11.575 2.549 111 1HB GLU 14 1HB GLU 14 -2.706 -12.827 0.096 112 2HB GLU 14 2HB GLU 14 -1.004 -12.989 0.479 113 1HG GLU 14 1HG GLU 14 -2.037 -13.744 2.878 114 2HG GLU 14 2HG GLU 14 -3.387 -14.195 1.856 115 H ALA 15 H ALA 15 -3.412 -10.225 -0.113 116 HA ALA 15 HA ALA 15 -1.383 -9.141 -1.647 117 1HB ALA 15 1HB ALA 15 -4.055 -9.314 -1.857 118 2HB ALA 15 2HB ALA 15 -3.943 -7.628 -1.299 119 3HB ALA 15 3HB ALA 15 -3.107 -8.131 -2.788 120 H PHE 16 H PHE 16 -3.313 -7.597 1.020 121 HA PHE 16 HA PHE 16 -2.030 -5.174 1.011 122 1HB PHE 16 1HB PHE 16 -4.091 -6.045 2.326 123 2HB PHE 16 2HB PHE 16 -2.975 -6.829 3.427 124 HD1 PHE 16 HD2 PHE 16 -3.561 -3.439 1.964 125 HD2 PHE 16 HD1 PHE 16 -2.446 -5.713 5.369 126 HE1 PHE 16 HE2 PHE 16 -3.423 -1.334 3.325 127 HE2 PHE 16 HE1 PHE 16 -2.308 -3.608 6.729 128 HZ PHE 16 HZ PHE 16 -2.798 -1.444 5.691 129 H SER 17 H SER 17 -0.966 -8.314 2.317 130 HA SER 17 HA SER 17 0.961 -7.355 4.047 131 1HB SER 17 1HB SER 17 1.403 -9.904 2.493 132 2HB SER 17 2HB SER 17 1.699 -9.583 4.190 133 HG SER 17 HG SER 17 -0.376 -10.003 4.692 134 H LEU 18 H LEU 18 1.173 -8.387 0.570 135 HA LEU 18 HA LEU 18 3.791 -8.178 0.077 136 1HB LEU 18 1HB LEU 18 1.331 -7.833 -1.432 137 2HB LEU 18 2HB LEU 18 2.634 -6.860 -2.086 138 HG LEU 18 HG LEU 18 3.942 -9.211 -1.780 139 1HD1 LEU 18 1HD1 LEU 18 1.032 -9.858 -1.896 140 2HD1 LEU 18 2HD1 LEU 18 2.156 -10.860 -2.846 141 3HD1 LEU 18 3HD1 LEU 18 2.369 -10.707 -1.085 142 1HD2 LEU 18 3HD2 LEU 18 3.493 -7.636 -3.818 143 2HD2 LEU 18 1HD2 LEU 18 3.970 -9.331 -4.082 144 3HD2 LEU 18 2HD2 LEU 18 2.263 -8.851 -4.241 145 H PHE 19 H PHE 19 1.529 -5.336 -0.142 146 HA PHE 19 HA PHE 19 3.611 -3.483 -0.397 147 1HB PHE 19 1HB PHE 19 0.678 -3.453 0.490 148 2HB PHE 19 2HB PHE 19 1.600 -1.963 0.456 149 HD1 PHE 19 HD1 PHE 19 2.662 -1.276 -1.772 150 HD2 PHE 19 HD2 PHE 19 -0.330 -4.268 -1.459 151 HE1 PHE 19 HE1 PHE 19 2.138 -1.007 -4.212 152 HE2 PHE 19 HE2 PHE 19 -0.855 -3.999 -3.899 153 HZ PHE 19 HZ PHE 19 0.386 -2.372 -5.246 154 H ASP 20 H ASP 20 1.678 -4.611 2.449 155 HA ASP 20 HA ASP 20 3.011 -2.832 4.189 156 1HB ASP 20 1HB ASP 20 0.825 -3.509 4.855 157 2HB ASP 20 2HB ASP 20 1.145 -5.199 4.519 158 H LYS 21 H LYS 21 5.307 -3.374 3.806 159 HA LYS 21 HA LYS 21 6.099 -6.087 4.509 160 1HB LYS 21 1HB LYS 21 6.917 -4.523 2.481 161 2HB LYS 21 2HB LYS 21 8.087 -4.025 3.687 162 1HG LYS 21 1HG LYS 21 7.601 -6.977 3.448 163 2HG LYS 21 2HG LYS 21 8.424 -6.216 2.102 164 1HD LYS 21 1HD LYS 21 10.354 -6.003 3.286 165 2HD LYS 21 2HD LYS 21 9.524 -5.251 4.634 166 1HE LYS 21 1HE LYS 21 9.996 -7.164 5.784 167 2HE LYS 21 2HE LYS 21 8.688 -7.890 4.871 168 1HZ LYS 21 2HZ LYS 21 11.348 -7.779 3.692 169 2HZ LYS 21 3HZ LYS 21 11.017 -8.924 4.808 170 3HZ LYS 21 1HZ LYS 21 10.148 -8.855 3.427 171 H ASP 22 H ASP 22 4.975 -4.005 6.438 172 HA ASP 22 HA ASP 22 7.337 -3.848 8.140 173 1HB ASP 22 1HB ASP 22 6.616 -1.801 8.922 174 2HB ASP 22 2HB ASP 22 5.842 -1.748 7.351 175 H GLY 23 H GLY 23 4.267 -5.311 7.550 176 1HA GLY 23 1HA GLY 23 2.871 -6.598 8.756 177 2HA GLY 23 2HA GLY 23 4.296 -7.060 9.665 178 H ASP 24 H ASP 24 1.664 -4.606 9.444 179 HA ASP 24 HA ASP 24 1.721 -4.485 12.325 180 1HB ASP 24 1HB ASP 24 1.779 -2.085 12.432 181 2HB ASP 24 2HB ASP 24 3.112 -2.559 11.397 182 H GLY 25 H GLY 25 0.268 -3.556 9.151 183 1HA GLY 25 1HA GLY 25 -2.065 -4.429 8.935 184 2HA GLY 25 2HA GLY 25 -2.406 -3.559 10.417 185 H THR 26 H THR 26 -0.028 -1.861 8.649 186 HA THR 26 HA THR 26 -2.010 -0.356 7.107 187 HB THR 26 HB THR 26 -1.360 0.511 9.595 188 HG1 THR 26 HG1 THR 26 -2.762 1.610 8.095 189 1HG2 THR 26 2HG2 THR 26 1.145 0.644 8.704 190 2HG2 THR 26 3HG2 THR 26 0.557 2.090 7.850 191 3HG2 THR 26 1HG2 THR 26 0.473 2.010 9.626 192 H ILE 27 H ILE 27 -1.116 0.902 5.368 193 HA ILE 27 HA ILE 27 1.593 -0.002 4.673 194 HB ILE 27 HB ILE 27 -0.817 0.382 2.896 195 1HG1 ILE 27 1HG1 ILE 27 0.800 -2.089 3.587 196 2HG1 ILE 27 2HG1 ILE 27 -0.807 -1.716 4.178 197 1HG2 ILE 27 3HG2 ILE 27 1.502 1.160 2.020 198 2HG2 ILE 27 1HG2 ILE 27 1.859 -0.581 1.926 199 3HG2 ILE 27 2HG2 ILE 27 0.493 0.099 1.009 200 1HD1 ILE 27 2HD1 ILE 27 -0.224 -1.827 1.197 201 2HD1 ILE 27 3HD1 ILE 27 -0.626 -3.292 2.125 202 3HD1 ILE 27 1HD1 ILE 27 -1.796 -1.955 2.021 203 H THR 28 H THR 28 2.871 1.725 5.176 204 HA THR 28 HA THR 28 1.905 4.405 4.873 205 HB THR 28 HB THR 28 3.471 3.698 6.683 206 HG1 THR 28 HG1 THR 28 3.537 5.887 5.704 207 1HG2 THR 28 3HG2 THR 28 4.826 2.320 4.609 208 2HG2 THR 28 1HG2 THR 28 5.871 3.711 4.986 209 3HG2 THR 28 2HG2 THR 28 5.417 2.565 6.270 210 H THR 29 H THR 29 4.531 5.445 3.899 211 HA THR 29 HA THR 29 3.869 5.223 1.073 212 HB THR 29 HB THR 29 5.679 7.146 1.092 213 HG1 THR 29 HG1 THR 29 6.482 7.348 3.142 214 1HG2 THR 29 1HG2 THR 29 2.989 7.317 1.246 215 2HG2 THR 29 2HG2 THR 29 3.365 7.851 2.902 216 3HG2 THR 29 3HG2 THR 29 4.016 8.747 1.509 217 H LYS 30 H LYS 30 6.753 4.846 3.233 218 HA LYS 30 HA LYS 30 8.471 3.996 1.228 219 1HB LYS 30 1HB LYS 30 8.854 4.691 3.732 220 2HB LYS 30 2HB LYS 30 8.678 2.977 4.048 221 1HG LYS 30 1HG LYS 30 10.476 2.474 2.393 222 2HG LYS 30 2HG LYS 30 10.638 4.183 2.037 223 1HD LYS 30 1HD LYS 30 11.873 4.581 3.919 224 2HD LYS 30 2HD LYS 30 10.808 3.626 4.931 225 1HE LYS 30 1HE LYS 30 12.161 1.782 3.198 226 2HE LYS 30 2HE LYS 30 13.380 2.886 3.803 227 1HZ LYS 30 3HZ LYS 30 11.441 1.779 5.668 228 2HZ LYS 30 1HZ LYS 30 12.690 0.846 5.179 229 3HZ LYS 30 2HZ LYS 30 12.977 2.261 5.942 230 H GLU 31 H GLU 31 5.903 2.317 3.020 231 HA GLU 31 HA GLU 31 6.802 -0.244 2.165 232 1HB GLU 31 1HB GLU 31 4.193 0.662 3.460 233 2HB GLU 31 2HB GLU 31 4.621 -1.013 3.175 234 1HG GLU 31 1HG GLU 31 6.474 -0.921 4.704 235 2HG GLU 31 2HG GLU 31 6.471 0.832 4.734 236 H LEU 32 H LEU 32 4.788 2.343 0.912 237 HA LEU 32 HA LEU 32 3.359 0.622 -0.901 238 1HB LEU 32 1HB LEU 32 2.536 2.776 0.238 239 2HB LEU 32 2HB LEU 32 3.476 3.627 -0.973 240 HG LEU 32 HG LEU 32 2.052 1.948 -2.570 241 1HD1 LEU 32 1HD1 LEU 32 0.435 2.378 -0.069 242 2HD1 LEU 32 2HD1 LEU 32 -0.354 2.217 -1.656 243 3HD1 LEU 32 3HD1 LEU 32 0.664 0.898 -1.032 244 1HD2 LEU 32 1HD2 LEU 32 1.904 4.756 -1.755 245 2HD2 LEU 32 2HD2 LEU 32 1.839 4.020 -3.374 246 3HD2 LEU 32 3HD2 LEU 32 0.365 4.119 -2.382 247 H GLY 33 H GLY 33 6.342 2.505 -0.793 248 1HA GLY 33 1HA GLY 33 6.661 2.316 -3.701 249 2HA GLY 33 2HA GLY 33 7.642 3.243 -2.584 250 H THR 34 H THR 34 7.095 0.297 -1.063 251 HA THR 34 HA THR 34 9.762 -0.605 -1.731 252 HB THR 34 HB THR 34 7.747 -0.931 0.431 253 HG1 THR 34 HG1 THR 34 9.773 -0.808 1.538 254 1HG2 THR 34 2HG2 THR 34 9.508 -3.246 -0.510 255 2HG2 THR 34 3HG2 THR 34 8.975 -3.078 1.180 256 3HG2 THR 34 1HG2 THR 34 7.773 -3.295 -0.114 257 H VAL 35 H VAL 35 6.362 -1.632 -2.231 258 HA VAL 35 HA VAL 35 7.136 -4.117 -3.390 259 HB VAL 35 HB VAL 35 4.639 -2.569 -2.929 260 1HG1 VAL 35 1HG1 VAL 35 4.427 -3.140 -5.301 261 2HG1 VAL 35 2HG1 VAL 35 4.807 -4.841 -4.939 262 3HG1 VAL 35 3HG1 VAL 35 3.308 -4.111 -4.315 263 1HG2 VAL 35 2HG2 VAL 35 5.505 -5.440 -2.457 264 2HG2 VAL 35 3HG2 VAL 35 5.354 -4.143 -1.246 265 3HG2 VAL 35 1HG2 VAL 35 3.900 -4.788 -2.045 266 H MET 36 H MET 36 6.824 -0.784 -4.468 267 HA MET 36 HA MET 36 6.474 -1.444 -7.195 268 1HB MET 36 1HB MET 36 7.486 1.121 -5.844 269 2HB MET 36 2HB MET 36 6.946 1.015 -7.507 270 1HG MET 36 1HG MET 36 4.881 -0.120 -5.829 271 2HG MET 36 2HG MET 36 5.349 1.422 -5.141 272 1HE MET 36 2HE MET 36 3.238 -0.361 -7.542 273 2HE MET 36 3HE MET 36 3.123 0.631 -9.015 274 3HE MET 36 1HE MET 36 4.610 -0.285 -8.672 275 H ARG 37 H ARG 37 9.258 -0.666 -5.055 276 HA ARG 37 HA ARG 37 11.061 -0.592 -7.234 277 1HB ARG 37 1HB ARG 37 12.803 -0.421 -5.455 278 2HB ARG 37 2HB ARG 37 11.490 0.703 -5.166 279 1HG ARG 37 1HG ARG 37 10.454 -0.952 -3.574 280 2HG ARG 37 2HG ARG 37 11.812 -2.029 -3.834 281 1HD ARG 37 1HD ARG 37 12.382 -0.852 -1.842 282 2HD ARG 37 2HD ARG 37 13.329 -0.059 -3.085 283 HE ARG 37 HE ARG 37 10.870 1.325 -2.979 284 1HH1 ARG 37 2HH2 ARG 37 13.571 0.678 -0.819 285 2HH1 ARG 37 1HH2 ARG 37 13.369 2.144 0.081 286 1HH2 ARG 37 2HH1 ARG 37 10.603 3.260 -1.792 287 2HH2 ARG 37 1HH1 ARG 37 11.669 3.622 -0.476 288 H SER 38 H SER 38 9.427 -3.082 -5.600 289 HA SER 38 HA SER 38 11.593 -4.941 -5.598 290 1HB SER 38 1HB SER 38 9.307 -4.761 -4.133 291 2HB SER 38 2HB SER 38 8.757 -5.880 -5.365 292 HG SER 38 HG SER 38 10.913 -6.196 -3.483 293 H LEU 39 H LEU 39 9.463 -3.627 -7.922 294 HA LEU 39 HA LEU 39 9.634 -6.053 -9.566 295 1HB LEU 39 1HB LEU 39 7.416 -4.659 -8.883 296 2HB LEU 39 2HB LEU 39 7.851 -3.837 -10.368 297 HG LEU 39 HG LEU 39 8.060 -6.471 -11.120 298 1HD1 LEU 39 2HD1 LEU 39 6.427 -6.398 -8.724 299 2HD1 LEU 39 3HD1 LEU 39 5.505 -6.990 -10.127 300 3HD1 LEU 39 1HD1 LEU 39 7.025 -7.789 -9.660 301 1HD2 LEU 39 1HD2 LEU 39 6.147 -4.266 -11.490 302 2HD2 LEU 39 2HD2 LEU 39 6.939 -5.322 -12.684 303 3HD2 LEU 39 3HD2 LEU 39 5.486 -5.885 -11.822 304 H GLY 40 H GLY 40 9.278 -2.529 -10.321 305 1HA GLY 40 1HA GLY 40 11.921 -2.236 -11.311 306 2HA GLY 40 2HA GLY 40 10.819 -2.595 -12.626 307 H GLN 41 H GLN 41 9.828 -0.871 -9.646 308 HA GLN 41 HA GLN 41 9.676 1.556 -11.256 309 1HB GLN 41 1HB GLN 41 7.590 0.269 -9.485 310 2HB GLN 41 2HB GLN 41 7.594 2.011 -9.676 311 1HG GLN 41 1HG GLN 41 6.517 1.777 -11.655 312 2HG GLN 41 2HG GLN 41 7.922 0.954 -12.303 313 1HE2 GLN 41 2HE2 GLN 41 4.468 -1.002 -11.577 314 2HE2 GLN 41 1HE2 GLN 41 4.687 0.714 -11.486 315 H ASN 42 H ASN 42 8.961 3.434 -9.404 316 HA ASN 42 HA ASN 42 10.020 3.190 -6.896 317 1HB ASN 42 1HB ASN 42 12.181 2.994 -8.412 318 2HB ASN 42 2HB ASN 42 11.982 4.717 -8.657 319 1HD2 ASN 42 2HD2 ASN 42 14.152 4.977 -5.896 320 2HD2 ASN 42 1HD2 ASN 42 14.003 4.986 -7.622 321 HA PRO 43 HA PRO 43 7.844 7.023 -8.175 322 1HB PRO 43 1HB PRO 43 5.588 6.715 -6.663 323 2HB PRO 43 2HB PRO 43 5.694 6.214 -8.338 324 1HG PRO 43 1HG PRO 43 5.732 4.545 -5.899 325 2HG PRO 43 2HG PRO 43 5.411 4.064 -7.553 326 1HD PRO 43 1HD PRO 43 7.837 3.641 -6.083 327 2HD PRO 43 2HD PRO 43 7.555 3.265 -7.772 328 H THR 44 H THR 44 8.552 8.882 -7.357 329 HA THR 44 HA THR 44 9.820 8.983 -4.920 330 HB THR 44 HB THR 44 9.714 11.420 -5.276 331 HG1 THR 44 HG1 THR 44 7.613 10.560 -7.140 332 1HG2 THR 44 1HG2 THR 44 10.435 9.589 -7.371 333 2HG2 THR 44 2HG2 THR 44 9.537 10.924 -8.131 334 3HG2 THR 44 3HG2 THR 44 10.990 11.267 -7.163 335 H GLU 45 H GLU 45 9.275 10.039 -2.887 336 HA GLU 45 HA GLU 45 7.065 8.941 -1.748 337 1HB GLU 45 1HB GLU 45 9.105 10.928 -1.015 338 2HB GLU 45 2HB GLU 45 7.575 11.246 -0.224 339 1HG GLU 45 1HG GLU 45 7.698 9.356 1.077 340 2HG GLU 45 2HG GLU 45 8.339 8.375 -0.226 341 H ALA 46 H ALA 46 7.399 11.953 -3.590 342 HA ALA 46 HA ALA 46 5.048 13.202 -2.696 343 1HB ALA 46 3HB ALA 46 6.945 13.439 -5.006 344 2HB ALA 46 1HB ALA 46 5.362 14.241 -5.142 345 3HB ALA 46 2HB ALA 46 6.457 14.655 -3.801 346 H GLU 47 H GLU 47 5.774 10.907 -5.389 347 HA GLU 47 HA GLU 47 3.274 11.017 -6.546 348 1HB GLU 47 1HB GLU 47 5.290 9.997 -7.592 349 2HB GLU 47 2HB GLU 47 5.236 8.683 -6.434 350 1HG GLU 47 1HG GLU 47 3.876 7.581 -7.878 351 2HG GLU 47 2HG GLU 47 2.625 8.743 -7.484 352 H LEU 48 H LEU 48 4.600 8.437 -4.339 353 HA LEU 48 HA LEU 48 2.349 6.986 -3.985 354 1HB LEU 48 1HB LEU 48 4.378 7.695 -1.861 355 2HB LEU 48 2HB LEU 48 3.277 6.332 -1.821 356 HG LEU 48 HG LEU 48 5.231 6.636 -4.091 357 1HD1 LEU 48 1HD1 LEU 48 5.865 6.073 -1.272 358 2HD1 LEU 48 2HD1 LEU 48 6.491 4.874 -2.429 359 3HD1 LEU 48 3HD1 LEU 48 6.915 6.593 -2.612 360 1HD2 LEU 48 1HD2 LEU 48 3.797 4.296 -2.816 361 2HD2 LEU 48 2HD2 LEU 48 3.565 4.968 -4.448 362 3HD2 LEU 48 3HD2 LEU 48 5.081 4.131 -4.037 363 H GLN 49 H GLN 49 3.346 9.783 -1.883 364 HA GLN 49 HA GLN 49 1.261 9.894 -0.251 365 1HB GLN 49 1HB GLN 49 3.332 11.570 -0.839 366 2HB GLN 49 2HB GLN 49 2.001 12.534 -1.448 367 1HG GLN 49 1HG GLN 49 1.956 13.235 0.760 368 2HG GLN 49 2HG GLN 49 0.881 11.857 0.900 369 1HE2 GLN 49 2HE2 GLN 49 2.788 10.445 3.403 370 2HE2 GLN 49 1HE2 GLN 49 1.250 10.885 2.739 371 H ASP 50 H ASP 50 1.326 11.108 -3.652 372 HA ASP 50 HA ASP 50 -1.215 12.226 -3.565 373 1HB ASP 50 1HB ASP 50 0.875 11.747 -5.500 374 2HB ASP 50 2HB ASP 50 -0.634 11.205 -6.206 375 H MET 51 H MET 51 0.090 8.966 -4.387 376 HA MET 51 HA MET 51 -2.338 7.968 -5.379 377 1HB MET 51 1HB MET 51 0.046 6.473 -4.151 378 2HB MET 51 2HB MET 51 -1.153 5.772 -5.221 379 1HG MET 51 1HG MET 51 -0.388 7.049 -7.107 380 2HG MET 51 2HG MET 51 0.501 8.172 -6.097 381 1HE MET 51 1HE MET 51 0.407 4.780 -7.871 382 2HE MET 51 2HE MET 51 1.703 3.842 -7.091 383 3HE MET 51 3HE MET 51 0.214 4.222 -6.192 384 H ILE 52 H ILE 52 -0.591 7.491 -2.223 385 HA ILE 52 HA ILE 52 -2.348 5.843 -0.985 386 HB ILE 52 HB ILE 52 -0.523 8.012 -0.050 387 1HG1 ILE 52 1HG1 ILE 52 -0.573 5.039 -0.161 388 2HG1 ILE 52 2HG1 ILE 52 0.740 6.158 -0.467 389 1HG2 ILE 52 2HG2 ILE 52 -2.409 6.463 1.746 390 2HG2 ILE 52 3HG2 ILE 52 -1.012 7.417 2.300 391 3HG2 ILE 52 1HG2 ILE 52 -2.375 8.224 1.489 392 1HD1 ILE 52 2HD1 ILE 52 -0.401 5.499 2.288 393 2HD1 ILE 52 3HD1 ILE 52 1.127 4.877 1.621 394 3HD1 ILE 52 1HD1 ILE 52 0.949 6.614 1.968 395 H ASN 53 H ASN 53 -2.571 9.432 -1.325 396 HA ASN 53 HA ASN 53 -4.711 9.859 0.268 397 1HB ASN 53 1HB ASN 53 -3.459 11.181 -2.062 398 2HB ASN 53 2HB ASN 53 -5.178 11.509 -1.979 399 1HD2 ASN 53 2HD2 ASN 53 -2.663 13.570 0.290 400 2HD2 ASN 53 1HD2 ASN 53 -2.304 12.686 -1.156 401 H GLU 54 H GLU 54 -4.517 8.529 -3.062 402 HA GLU 54 HA GLU 54 -7.214 8.731 -3.678 403 1HB GLU 54 1HB GLU 54 -5.180 6.680 -4.660 404 2HB GLU 54 2HB GLU 54 -6.704 7.052 -5.439 405 1HG GLU 54 1HG GLU 54 -5.711 9.569 -5.313 406 2HG GLU 54 2HG GLU 54 -4.190 8.700 -5.294 407 H VAL 55 H VAL 55 -5.346 6.418 -1.737 408 HA VAL 55 HA VAL 55 -7.814 4.867 -1.358 409 HB VAL 55 HB VAL 55 -5.897 3.197 -0.503 410 1HG1 VAL 55 1HG1 VAL 55 -7.532 3.500 -2.859 411 2HG1 VAL 55 2HG1 VAL 55 -5.976 2.755 -3.295 412 3HG1 VAL 55 3HG1 VAL 55 -6.996 2.013 -2.040 413 1HG2 VAL 55 2HG2 VAL 55 -4.141 4.915 -1.170 414 2HG2 VAL 55 3HG2 VAL 55 -3.916 3.270 -1.811 415 3HG2 VAL 55 1HG2 VAL 55 -4.564 4.553 -2.860 416 H ASP 56 H ASP 56 -7.194 7.386 -0.033 417 HA ASP 56 HA ASP 56 -7.387 6.401 2.632 418 1HB ASP 56 1HB ASP 56 -5.013 6.582 2.676 419 2HB ASP 56 2HB ASP 56 -5.009 8.010 1.661 420 H ALA 57 H ALA 57 -9.447 7.451 2.713 421 HA ALA 57 HA ALA 57 -9.588 10.239 1.908 422 1HB ALA 57 1HB ALA 57 -11.399 7.966 2.138 423 2HB ALA 57 2HB ALA 57 -12.055 9.399 2.966 424 3HB ALA 57 3HB ALA 57 -11.605 9.493 1.246 425 H ASP 58 H ASP 58 -8.725 8.425 4.643 426 HA ASP 58 HA ASP 58 -10.000 10.082 6.563 427 1HB ASP 58 1HB ASP 58 -9.312 8.465 8.009 428 2HB ASP 58 2HB ASP 58 -8.797 7.580 6.587 429 H GLY 59 H GLY 59 -6.834 9.805 4.895 430 1HA GLY 59 1HA GLY 59 -5.201 11.348 4.620 431 2HA GLY 59 2HA GLY 59 -6.135 12.504 5.549 432 H ASN 60 H ASN 60 -5.235 9.217 6.692 433 HA ASN 60 HA ASN 60 -4.145 10.353 9.036 434 1HB ASN 60 1HB ASN 60 -3.708 7.983 9.672 435 2HB ASN 60 2HB ASN 60 -5.333 8.159 9.041 436 1HD2 ASN 60 2HD2 ASN 60 -3.662 5.156 7.555 437 2HD2 ASN 60 1HD2 ASN 60 -3.967 5.743 9.156 438 H GLY 61 H GLY 61 -2.991 9.402 5.864 439 1HA GLY 61 1HA GLY 61 -0.851 10.168 5.153 440 2HA GLY 61 2HA GLY 61 -0.206 9.821 6.745 441 H THR 62 H THR 62 -1.752 7.214 6.942 442 HA THR 62 HA THR 62 -0.023 5.668 5.126 443 HB THR 62 HB THR 62 0.006 3.986 6.912 444 HG1 THR 62 HG1 THR 62 -1.841 4.036 8.128 445 1HG2 THR 62 3HG2 THR 62 1.413 6.165 7.264 446 2HG2 THR 62 1HG2 THR 62 0.135 6.640 8.409 447 3HG2 THR 62 2HG2 THR 62 1.088 5.165 8.701 448 H ILE 63 H ILE 63 -1.081 3.240 5.060 449 HA ILE 63 HA ILE 63 -3.852 3.695 4.198 450 HB ILE 63 HB ILE 63 -1.691 2.065 2.863 451 1HG1 ILE 63 1HG1 ILE 63 -2.214 4.754 2.630 452 2HG1 ILE 63 2HG1 ILE 63 -1.401 3.760 1.438 453 1HG2 ILE 63 3HG2 ILE 63 -4.671 2.170 2.397 454 2HG2 ILE 63 1HG2 ILE 63 -3.523 1.689 1.125 455 3HG2 ILE 63 2HG2 ILE 63 -3.624 0.750 2.634 456 1HD1 ILE 63 3HD1 ILE 63 -4.430 3.915 1.471 457 2HD1 ILE 63 1HD1 ILE 63 -3.464 5.187 0.684 458 3HD1 ILE 63 2HD1 ILE 63 -3.349 3.503 0.118 459 H ASP 64 H ASP 64 -5.347 2.003 4.604 460 HA ASP 64 HA ASP 64 -4.308 0.084 6.534 461 1HB ASP 64 1HB ASP 64 -7.166 1.097 6.162 462 2HB ASP 64 2HB ASP 64 -6.639 -0.016 7.409 463 H PHE 65 H PHE 65 -6.492 -1.722 6.560 464 HA PHE 65 HA PHE 65 -6.071 -3.092 4.098 465 1HB PHE 65 1HB PHE 65 -6.365 -4.023 6.507 466 2HB PHE 65 2HB PHE 65 -8.057 -3.584 6.394 467 HD1 PHE 65 HD2 PHE 65 -5.880 -5.117 3.793 468 HD2 PHE 65 HD1 PHE 65 -9.176 -5.625 6.416 469 HE1 PHE 65 HE2 PHE 65 -6.384 -7.334 2.730 470 HE2 PHE 65 HE1 PHE 65 -9.681 -7.842 5.353 471 HZ PHE 65 HZ PHE 65 -8.278 -8.670 3.522 472 HA PRO 66 HA PRO 66 -10.650 -1.937 3.619 473 1HB PRO 66 1HB PRO 66 -11.700 0.054 5.168 474 2HB PRO 66 2HB PRO 66 -11.871 -1.648 5.550 475 1HG PRO 66 1HG PRO 66 -10.112 0.367 6.810 476 2HG PRO 66 2HG PRO 66 -10.610 -1.196 7.428 477 1HD PRO 66 1HD PRO 66 -8.061 -0.533 6.291 478 2HD PRO 66 2HD PRO 66 -8.600 -2.120 6.802 479 H GLU 67 H GLU 67 -8.100 0.217 3.966 480 HA GLU 67 HA GLU 67 -9.388 2.119 2.208 481 1HB GLU 67 1HB GLU 67 -6.567 2.355 3.298 482 2HB GLU 67 2HB GLU 67 -7.645 3.638 2.787 483 1HG GLU 67 1HG GLU 67 -8.657 1.902 5.008 484 2HG GLU 67 2HG GLU 67 -7.283 2.917 5.403 485 H PHE 68 H PHE 68 -7.035 -0.503 2.245 486 HA PHE 68 HA PHE 68 -5.973 0.276 -0.340 487 1HB PHE 68 1HB PHE 68 -4.282 -0.644 1.044 488 2HB PHE 68 2HB PHE 68 -5.414 -1.663 1.909 489 HD1 PHE 68 HD1 PHE 68 -6.330 -3.722 0.674 490 HD2 PHE 68 HD2 PHE 68 -2.936 -1.542 -0.644 491 HE1 PHE 68 HE1 PHE 68 -5.586 -5.699 -0.683 492 HE2 PHE 68 HE2 PHE 68 -2.192 -3.519 -2.000 493 HZ PHE 68 HZ PHE 68 -3.527 -5.574 -2.003 494 H LEU 69 H LEU 69 -8.075 -2.201 1.196 495 HA LEU 69 HA LEU 69 -8.285 -4.098 -0.667 496 1HB LEU 69 1HB LEU 69 -10.296 -2.775 1.103 497 2HB LEU 69 2HB LEU 69 -10.848 -3.960 -0.064 498 HG LEU 69 HG LEU 69 -8.605 -4.614 1.838 499 1HD1 LEU 69 2HD1 LEU 69 -11.536 -4.438 2.440 500 2HD1 LEU 69 3HD1 LEU 69 -10.557 -5.721 3.192 501 3HD1 LEU 69 1HD1 LEU 69 -10.132 -4.012 3.449 502 1HD2 LEU 69 1HD2 LEU 69 -9.212 -6.048 -0.187 503 2HD2 LEU 69 2HD2 LEU 69 -9.117 -6.860 1.394 504 3HD2 LEU 69 3HD2 LEU 69 -10.704 -6.455 0.695 505 H THR 70 H THR 70 -9.686 -0.788 -0.869 506 HA THR 70 HA THR 70 -11.171 -1.162 -3.191 507 HB THR 70 HB THR 70 -11.390 0.806 -1.729 508 HG1 THR 70 HG1 THR 70 -11.111 2.387 -3.537 509 1HG2 THR 70 2HG2 THR 70 -8.695 0.851 -1.435 510 2HG2 THR 70 3HG2 THR 70 -8.830 1.981 -2.804 511 3HG2 THR 70 1HG2 THR 70 -9.675 2.329 -1.276 512 H MET 71 H MET 71 -7.725 -0.123 -2.804 513 HA MET 71 HA MET 71 -7.112 0.416 -5.336 514 1HB MET 71 1HB MET 71 -5.736 -0.261 -2.946 515 2HB MET 71 2HB MET 71 -5.099 -1.386 -4.129 516 1HG MET 71 1HG MET 71 -5.271 1.242 -5.352 517 2HG MET 71 2HG MET 71 -4.448 1.395 -3.812 518 1HE MET 71 3HE MET 71 -3.613 1.876 -6.709 519 2HE MET 71 1HE MET 71 -2.153 0.975 -7.184 520 3HE MET 71 2HE MET 71 -3.764 0.348 -7.608 521 H MET 72 H MET 72 -7.123 -2.911 -3.877 522 HA MET 72 HA MET 72 -6.330 -4.227 -6.157 523 1HB MET 72 1HB MET 72 -8.172 -5.100 -3.863 524 2HB MET 72 2HB MET 72 -7.475 -6.219 -5.017 525 1HG MET 72 1HG MET 72 -5.381 -4.498 -3.933 526 2HG MET 72 2HG MET 72 -6.278 -5.233 -2.620 527 1HE MET 72 3HE MET 72 -4.175 -5.381 -5.516 528 2HE MET 72 1HE MET 72 -2.976 -6.173 -4.466 529 3HE MET 72 2HE MET 72 -3.705 -7.071 -5.818 530 H ALA 73 H ALA 73 -9.663 -3.492 -4.932 531 HA ALA 73 HA ALA 73 -11.127 -4.830 -6.807 532 1HB ALA 73 1HB ALA 73 -11.722 -3.299 -4.712 533 2HB ALA 73 2HB ALA 73 -11.964 -2.067 -5.974 534 3HB ALA 73 3HB ALA 73 -12.905 -3.578 -6.013 535 H ARG 74 H ARG 74 -9.594 -1.565 -7.039 536 HA ARG 74 HA ARG 74 -10.198 -1.695 -9.885 537 1HB ARG 74 1HB ARG 74 -10.086 0.803 -9.874 538 2HB ARG 74 2HB ARG 74 -11.325 0.212 -8.786 539 1HG ARG 74 1HG ARG 74 -10.319 1.194 -7.005 540 2HG ARG 74 2HG ARG 74 -8.809 0.371 -7.343 541 1HD ARG 74 1HD ARG 74 -7.886 2.228 -8.307 542 2HD ARG 74 2HD ARG 74 -9.317 2.549 -9.266 543 HE ARG 74 HE ARG 74 -10.097 3.246 -6.694 544 1HH1 ARG 74 1HH2 ARG 74 -7.278 5.762 -8.109 545 2HH1 ARG 74 2HH2 ARG 74 -7.425 4.175 -8.787 546 1HH2 ARG 74 1HH1 ARG 74 -8.697 6.429 -6.398 547 2HH2 ARG 74 2HH1 ARG 74 -9.903 5.340 -5.799 548 H LYS 75 H LYS 75 -8.117 -3.091 -9.805 549 HA LYS 75 HA LYS 75 -5.676 -1.811 -9.155 550 1HB LYS 75 1HB LYS 75 -4.945 -3.907 -9.244 551 2HB LYS 75 2HB LYS 75 -6.556 -4.417 -9.704 552 1HG LYS 75 1HG LYS 75 -5.912 -3.837 -12.135 553 2HG LYS 75 2HG LYS 75 -4.264 -3.655 -11.566 554 1HD LYS 75 1HD LYS 75 -3.954 -5.918 -11.329 555 2HD LYS 75 2HD LYS 75 -5.554 -6.171 -10.661 556 1HE LYS 75 1HE LYS 75 -5.569 -7.296 -12.778 557 2HE LYS 75 2HE LYS 75 -6.484 -5.823 -13.033 558 1HZ LYS 75 2HZ LYS 75 -3.712 -5.451 -13.486 559 2HZ LYS 75 3HZ LYS 75 -4.332 -6.611 -14.454 560 3HZ LYS 75 1HZ LYS 75 -4.976 -5.110 -14.462 No H/Q in entry = 560 Start of MODEL 16 1 H MET 0 H MET 0 -25.369 -23.438 -2.466 2 HA MET 0 HA MET 0 -25.214 -25.441 -0.603 3 1HB MET 0 1HB MET 0 -25.614 -25.139 -3.428 4 2HB MET 0 2HB MET 0 -24.342 -26.333 -3.261 5 1HG MET 0 1HG MET 0 -26.092 -27.217 -1.329 6 2HG MET 0 2HG MET 0 -27.220 -26.504 -2.465 7 1HE MET 0 2HE MET 0 -26.231 -29.215 -1.226 8 2HE MET 0 3HE MET 0 -27.002 -30.277 -2.428 9 3HE MET 0 1HE MET 0 -25.230 -30.253 -2.269 10 H ALA 1 H ALA 1 -22.671 -24.072 -2.763 11 HA ALA 1 HA ALA 1 -20.654 -25.081 -0.977 12 1HB ALA 1 1HB ALA 1 -21.419 -26.654 -3.208 13 2HB ALA 1 2HB ALA 1 -19.882 -25.876 -3.653 14 3HB ALA 1 3HB ALA 1 -19.985 -26.860 -2.174 15 H ASP 2 H ASP 2 -20.145 -22.885 -0.625 16 HA ASP 2 HA ASP 2 -18.250 -21.789 -2.168 17 1HB ASP 2 1HB ASP 2 -20.758 -21.489 -3.485 18 2HB ASP 2 2HB ASP 2 -20.401 -19.913 -2.809 19 H GLN 3 H GLN 3 -17.481 -19.840 -1.114 20 HA GLN 3 HA GLN 3 -19.295 -18.620 0.779 21 1HB GLN 3 1HB GLN 3 -16.535 -19.656 1.565 22 2HB GLN 3 2HB GLN 3 -17.611 -18.741 2.602 23 1HG GLN 3 1HG GLN 3 -18.478 -21.364 1.318 24 2HG GLN 3 2HG GLN 3 -17.624 -21.328 2.848 25 1HE2 GLN 3 2HE2 GLN 3 -20.239 -19.668 4.674 26 2HE2 GLN 3 1HE2 GLN 3 -18.520 -19.709 4.468 27 H LEU 4 H LEU 4 -19.318 -16.685 -0.410 28 HA LEU 4 HA LEU 4 -16.726 -15.511 -1.052 29 1HB LEU 4 1HB LEU 4 -18.033 -13.940 -2.401 30 2HB LEU 4 2HB LEU 4 -18.255 -15.613 -2.874 31 HG LEU 4 HG LEU 4 -20.295 -14.895 -0.972 32 1HD1 LEU 4 3HD1 LEU 4 -19.591 -12.595 -2.064 33 2HD1 LEU 4 1HD1 LEU 4 -20.580 -13.198 -3.416 34 3HD1 LEU 4 2HD1 LEU 4 -21.301 -13.015 -1.798 35 1HD2 LEU 4 2HD2 LEU 4 -20.270 -15.739 -3.874 36 2HD2 LEU 4 3HD2 LEU 4 -20.614 -16.727 -2.434 37 3HD2 LEU 4 1HD2 LEU 4 -21.768 -15.473 -2.949 38 H THR 5 H THR 5 -17.820 -12.761 -1.011 39 HA THR 5 HA THR 5 -18.000 -11.032 0.378 40 HB THR 5 HB THR 5 -19.619 -11.225 2.052 41 HG1 THR 5 HG1 THR 5 -18.546 -13.905 2.551 42 1HG2 THR 5 1HG2 THR 5 -20.163 -12.908 -0.016 43 2HG2 THR 5 2HG2 THR 5 -20.028 -14.108 1.292 44 3HG2 THR 5 3HG2 THR 5 -21.222 -12.793 1.410 45 H GLU 6 H GLU 6 -17.670 -11.204 3.376 46 HA GLU 6 HA GLU 6 -15.209 -10.410 3.676 47 1HB GLU 6 1HB GLU 6 -16.842 -12.215 5.485 48 2HB GLU 6 2HB GLU 6 -15.262 -11.649 5.990 49 1HG GLU 6 1HG GLU 6 -16.170 -9.262 5.306 50 2HG GLU 6 2HG GLU 6 -17.749 -10.015 5.397 51 H GLU 7 H GLU 7 -16.113 -13.930 3.768 52 HA GLU 7 HA GLU 7 -13.813 -15.091 4.285 53 1HB GLU 7 1HB GLU 7 -15.792 -15.812 2.086 54 2HB GLU 7 2HB GLU 7 -14.491 -16.882 2.571 55 1HG GLU 7 1HG GLU 7 -15.893 -15.914 4.937 56 2HG GLU 7 2HG GLU 7 -17.049 -16.584 3.803 57 H GLN 8 H GLN 8 -14.670 -13.564 1.131 58 HA GLN 8 HA GLN 8 -12.352 -14.386 -0.175 59 1HB GLN 8 1HB GLN 8 -14.696 -13.081 -0.879 60 2HB GLN 8 2HB GLN 8 -13.512 -11.800 -1.048 61 1HG GLN 8 1HG GLN 8 -13.683 -12.985 -3.177 62 2HG GLN 8 2HG GLN 8 -12.106 -13.308 -2.485 63 1HE2 GLN 8 2HE2 GLN 8 -15.030 -16.256 -2.266 64 2HE2 GLN 8 1HE2 GLN 8 -15.420 -14.575 -2.114 65 H ILE 9 H ILE 9 -13.248 -11.245 1.420 66 HA ILE 9 HA ILE 9 -10.936 -9.873 0.944 67 HB ILE 9 HB ILE 9 -13.240 -9.427 2.290 68 1HG1 ILE 9 1HG1 ILE 9 -11.894 -7.251 3.050 69 2HG1 ILE 9 2HG1 ILE 9 -10.681 -7.914 1.973 70 1HG2 ILE 9 3HG2 ILE 9 -11.058 -9.588 4.387 71 2HG2 ILE 9 1HG2 ILE 9 -12.636 -8.794 4.610 72 3HG2 ILE 9 2HG2 ILE 9 -12.556 -10.547 4.314 73 1HD1 ILE 9 3HD1 ILE 9 -13.521 -7.855 0.979 74 2HD1 ILE 9 1HD1 ILE 9 -12.637 -6.313 1.070 75 3HD1 ILE 9 2HD1 ILE 9 -12.000 -7.646 0.078 76 H ALA 10 H ALA 10 -11.652 -12.178 3.643 77 HA ALA 10 HA ALA 10 -9.498 -11.982 5.185 78 1HB ALA 10 3HB ALA 10 -11.432 -13.690 5.184 79 2HB ALA 10 1HB ALA 10 -10.391 -14.682 4.136 80 3HB ALA 10 2HB ALA 10 -9.850 -14.250 5.775 81 H GLU 11 H GLU 11 -9.581 -13.387 1.876 82 HA GLU 11 HA GLU 11 -6.947 -14.325 1.978 83 1HB GLU 11 1HB GLU 11 -8.698 -13.597 -0.412 84 2HB GLU 11 2HB GLU 11 -7.195 -14.491 -0.517 85 1HG GLU 11 1HG GLU 11 -8.128 -16.286 0.922 86 2HG GLU 11 2HG GLU 11 -9.614 -15.379 1.124 87 H PHE 12 H PHE 12 -8.449 -11.359 0.512 88 HA PHE 12 HA PHE 12 -6.275 -10.218 -0.603 89 1HB PHE 12 1HB PHE 12 -8.655 -9.186 1.015 90 2HB PHE 12 2HB PHE 12 -7.506 -8.035 0.363 91 HD1 PHE 12 HD2 PHE 12 -9.906 -10.688 -0.576 92 HD2 PHE 12 HD1 PHE 12 -7.570 -7.409 -1.916 93 HE1 PHE 12 HE2 PHE 12 -11.117 -10.724 -2.775 94 HE2 PHE 12 HE1 PHE 12 -8.780 -7.445 -4.114 95 HZ PHE 12 HZ PHE 12 -10.539 -9.102 -4.517 96 H LYS 13 H LYS 13 -6.909 -10.701 2.840 97 HA LYS 13 HA LYS 13 -5.514 -8.759 4.065 98 1HB LYS 13 1HB LYS 13 -5.591 -11.725 4.672 99 2HB LYS 13 2HB LYS 13 -4.901 -10.538 5.760 100 1HG LYS 13 1HG LYS 13 -7.191 -9.277 5.499 101 2HG LYS 13 2HG LYS 13 -7.789 -10.790 4.847 102 1HD LYS 13 1HD LYS 13 -6.964 -11.956 6.949 103 2HD LYS 13 2HD LYS 13 -6.529 -10.389 7.601 104 1HE LYS 13 1HE LYS 13 -8.677 -9.958 8.207 105 2HE LYS 13 2HE LYS 13 -9.267 -10.306 6.594 106 1HZ LYS 13 2HZ LYS 13 -8.616 -12.368 8.584 107 2HZ LYS 13 3HZ LYS 13 -10.123 -11.813 8.288 108 3HZ LYS 13 1HZ LYS 13 -9.305 -12.614 7.124 109 H GLU 14 H GLU 14 -4.025 -11.840 2.830 110 HA GLU 14 HA GLU 14 -1.452 -11.179 3.379 111 1HB GLU 14 1HB GLU 14 -2.532 -12.775 1.014 112 2HB GLU 14 2HB GLU 14 -0.859 -12.789 1.535 113 1HG GLU 14 1HG GLU 14 -1.987 -13.370 3.917 114 2HG GLU 14 2HG GLU 14 -3.283 -13.956 2.893 115 H ALA 15 H ALA 15 -3.423 -10.368 0.463 116 HA ALA 15 HA ALA 15 -1.513 -9.319 -1.160 117 1HB ALA 15 1HB ALA 15 -4.255 -9.470 -1.121 118 2HB ALA 15 2HB ALA 15 -3.995 -7.716 -0.965 119 3HB ALA 15 3HB ALA 15 -3.308 -8.598 -2.350 120 H PHE 16 H PHE 16 -3.380 -7.528 1.398 121 HA PHE 16 HA PHE 16 -2.107 -5.116 1.111 122 1HB PHE 16 1HB PHE 16 -4.134 -5.738 2.534 123 2HB PHE 16 2HB PHE 16 -3.070 -6.576 3.645 124 HD1 PHE 16 HD1 PHE 16 -3.382 -3.192 2.084 125 HD2 PHE 16 HD2 PHE 16 -2.456 -5.451 5.555 126 HE1 PHE 16 HE1 PHE 16 -3.062 -1.068 3.381 127 HE2 PHE 16 HE2 PHE 16 -2.137 -3.327 6.853 128 HZ PHE 16 HZ PHE 16 -2.443 -1.160 5.750 129 H SER 17 H SER 17 -1.038 -8.086 2.790 130 HA SER 17 HA SER 17 0.932 -6.953 4.338 131 1HB SER 17 1HB SER 17 -0.041 -9.458 4.034 132 2HB SER 17 2HB SER 17 1.425 -9.644 3.093 133 HG SER 17 HG SER 17 2.324 -10.006 5.011 134 H LEU 18 H LEU 18 1.071 -8.342 0.985 135 HA LEU 18 HA LEU 18 3.658 -8.236 0.391 136 1HB LEU 18 1HB LEU 18 1.183 -8.039 -1.041 137 2HB LEU 18 2HB LEU 18 2.358 -6.972 -1.784 138 HG LEU 18 HG LEU 18 3.824 -9.282 -1.417 139 1HD1 LEU 18 2HD1 LEU 18 0.941 -9.985 -1.683 140 2HD1 LEU 18 3HD1 LEU 18 2.114 -10.919 -2.642 141 3HD1 LEU 18 1HD1 LEU 18 2.269 -10.847 -0.870 142 1HD2 LEU 18 1HD2 LEU 18 2.263 -8.293 -3.814 143 2HD2 LEU 18 2HD2 LEU 18 3.960 -7.959 -3.395 144 3HD2 LEU 18 3HD2 LEU 18 3.471 -9.599 -3.883 145 H PHE 19 H PHE 19 1.467 -5.342 0.306 146 HA PHE 19 HA PHE 19 3.655 -3.592 -0.188 147 1HB PHE 19 1HB PHE 19 0.721 -3.335 0.679 148 2HB PHE 19 2HB PHE 19 1.724 -1.916 0.451 149 HD1 PHE 19 HD2 PHE 19 2.513 -1.300 -1.795 150 HD2 PHE 19 HD1 PHE 19 -0.090 -4.599 -1.205 151 HE1 PHE 19 HE2 PHE 19 1.964 -1.305 -4.244 152 HE2 PHE 19 HE1 PHE 19 -0.639 -4.604 -3.654 153 HZ PHE 19 HZ PHE 19 0.395 -2.957 -5.145 154 H ASP 20 H ASP 20 1.639 -4.473 2.683 155 HA ASP 20 HA ASP 20 3.086 -2.648 4.318 156 1HB ASP 20 1HB ASP 20 0.769 -3.057 4.873 157 2HB ASP 20 2HB ASP 20 0.993 -4.794 4.843 158 H LYS 21 H LYS 21 5.308 -3.434 4.184 159 HA LYS 21 HA LYS 21 5.992 -6.128 4.533 160 1HB LYS 21 1HB LYS 21 7.331 -3.571 4.177 161 2HB LYS 21 2HB LYS 21 8.182 -4.571 5.337 162 1HG LYS 21 1HG LYS 21 7.230 -6.052 2.939 163 2HG LYS 21 2HG LYS 21 8.401 -4.798 2.581 164 1HD LYS 21 1HD LYS 21 10.117 -5.948 3.563 165 2HD LYS 21 2HD LYS 21 9.149 -6.388 4.957 166 1HE LYS 21 1HE LYS 21 8.193 -7.796 2.575 167 2HE LYS 21 2HE LYS 21 9.910 -8.072 2.795 168 1HZ LYS 21 1HZ LYS 21 8.935 -8.313 5.282 169 2HZ LYS 21 2HZ LYS 21 7.731 -8.963 4.390 170 3HZ LYS 21 3HZ LYS 21 9.247 -9.560 4.275 171 H ASP 22 H ASP 22 6.236 -3.325 6.840 172 HA ASP 22 HA ASP 22 7.059 -4.696 8.997 173 1HB ASP 22 1HB ASP 22 4.865 -2.615 9.256 174 2HB ASP 22 2HB ASP 22 6.237 -2.877 10.313 175 H GLY 23 H GLY 23 3.963 -4.828 7.338 176 1HA GLY 23 1HA GLY 23 2.068 -5.981 7.691 177 2HA GLY 23 2HA GLY 23 3.023 -7.074 8.673 178 H ASP 24 H ASP 24 3.100 -3.739 9.704 179 HA ASP 24 HA ASP 24 2.090 -4.339 12.186 180 1HB ASP 24 1HB ASP 24 1.804 -1.768 12.335 181 2HB ASP 24 2HB ASP 24 3.414 -2.380 12.012 182 H GLY 25 H GLY 25 0.555 -3.448 9.119 183 1HA GLY 25 1HA GLY 25 -1.793 -4.149 8.963 184 2HA GLY 25 2HA GLY 25 -2.073 -3.310 10.476 185 H THR 26 H THR 26 0.291 -1.642 8.640 186 HA THR 26 HA THR 26 -1.696 -0.057 7.196 187 HB THR 26 HB THR 26 -1.045 1.982 8.285 188 HG1 THR 26 HG1 THR 26 1.061 0.229 9.342 189 1HG2 THR 26 2HG2 THR 26 -2.331 0.331 9.838 190 2HG2 THR 26 3HG2 THR 26 -0.748 -0.016 10.574 191 3HG2 THR 26 1HG2 THR 26 -1.418 1.632 10.639 192 H ILE 27 H ILE 27 -0.857 1.139 5.424 193 HA ILE 27 HA ILE 27 1.850 0.261 4.688 194 HB ILE 27 HB ILE 27 -0.592 0.664 2.959 195 1HG1 ILE 27 1HG1 ILE 27 1.045 -1.822 3.541 196 2HG1 ILE 27 2HG1 ILE 27 -0.513 -1.450 4.252 197 1HG2 ILE 27 1HG2 ILE 27 1.620 1.490 1.988 198 2HG2 ILE 27 2HG2 ILE 27 2.128 -0.216 1.992 199 3HG2 ILE 27 3HG2 ILE 27 0.710 0.288 1.041 200 1HD1 ILE 27 1HD1 ILE 27 -0.054 -1.623 1.241 201 2HD1 ILE 27 2HD1 ILE 27 -0.616 -2.989 2.235 202 3HD1 ILE 27 3HD1 ILE 27 -1.617 -1.524 2.088 203 H THR 28 H THR 28 3.214 1.942 5.001 204 HA THR 28 HA THR 28 2.231 4.645 4.804 205 HB THR 28 HB THR 28 3.833 3.962 6.572 206 HG1 THR 28 HG1 THR 28 4.808 5.925 6.194 207 1HG2 THR 28 1HG2 THR 28 5.069 2.429 4.578 208 2HG2 THR 28 2HG2 THR 28 6.155 3.830 4.737 209 3HG2 THR 28 3HG2 THR 28 5.786 2.824 6.158 210 H THR 29 H THR 29 4.867 5.636 3.762 211 HA THR 29 HA THR 29 4.111 5.451 0.955 212 HB THR 29 HB THR 29 5.843 7.369 0.858 213 HG1 THR 29 HG1 THR 29 6.749 7.880 2.859 214 1HG2 THR 29 3HG2 THR 29 3.189 7.489 1.596 215 2HG2 THR 29 1HG2 THR 29 3.968 8.150 3.054 216 3HG2 THR 29 2HG2 THR 29 4.239 8.922 1.473 217 H LYS 30 H LYS 30 6.985 4.893 3.073 218 HA LYS 30 HA LYS 30 8.646 4.047 0.991 219 1HB LYS 30 1HB LYS 30 9.071 4.700 3.534 220 2HB LYS 30 2HB LYS 30 8.962 2.967 3.765 221 1HG LYS 30 1HG LYS 30 10.792 2.536 2.265 222 2HG LYS 30 2HG LYS 30 10.723 4.148 1.584 223 1HD LYS 30 1HD LYS 30 11.649 5.153 3.551 224 2HD LYS 30 2HD LYS 30 11.309 3.745 4.538 225 1HE LYS 30 1HE LYS 30 12.989 2.424 3.231 226 2HE LYS 30 2HE LYS 30 13.329 3.832 2.245 227 1HZ LYS 30 1HZ LYS 30 13.536 4.610 4.884 228 2HZ LYS 30 2HZ LYS 30 14.351 3.201 4.754 229 3HZ LYS 30 3HZ LYS 30 14.740 4.461 3.791 230 H GLU 31 H GLU 31 6.299 2.320 3.100 231 HA GLU 31 HA GLU 31 7.036 -0.216 2.162 232 1HB GLU 31 1HB GLU 31 4.464 0.758 3.480 233 2HB GLU 31 2HB GLU 31 4.864 -0.929 3.225 234 1HG GLU 31 1HG GLU 31 6.905 -0.682 4.621 235 2HG GLU 31 2HG GLU 31 6.577 1.026 4.831 236 H LEU 32 H LEU 32 5.126 2.393 0.847 237 HA LEU 32 HA LEU 32 3.631 0.649 -0.910 238 1HB LEU 32 1HB LEU 32 2.780 2.778 0.218 239 2HB LEU 32 2HB LEU 32 3.738 3.658 -0.956 240 HG LEU 32 HG LEU 32 2.281 1.878 -2.522 241 1HD1 LEU 32 3HD1 LEU 32 0.680 2.716 -0.123 242 2HD1 LEU 32 1HD1 LEU 32 -0.105 2.529 -1.709 243 3HD1 LEU 32 2HD1 LEU 32 0.736 1.149 -0.963 244 1HD2 LEU 32 1HD2 LEU 32 2.230 4.790 -1.923 245 2HD2 LEU 32 2HD2 LEU 32 2.489 3.932 -3.460 246 3HD2 LEU 32 3HD2 LEU 32 0.842 4.114 -2.810 247 H GLY 33 H GLY 33 6.454 2.853 -0.948 248 1HA GLY 33 1HA GLY 33 6.782 2.601 -3.814 249 2HA GLY 33 2HA GLY 33 7.805 3.467 -2.687 250 H THR 34 H THR 34 7.129 0.374 -1.414 251 HA THR 34 HA THR 34 9.799 -0.522 -2.161 252 HB THR 34 HB THR 34 7.857 -0.905 0.074 253 HG1 THR 34 HG1 THR 34 9.774 -0.090 0.821 254 1HG2 THR 34 1HG2 THR 34 9.414 -3.184 -1.161 255 2HG2 THR 34 2HG2 THR 34 9.418 -3.030 0.612 256 3HG2 THR 34 3HG2 THR 34 7.880 -3.231 -0.261 257 H VAL 35 H VAL 35 6.489 -2.008 -1.972 258 HA VAL 35 HA VAL 35 7.090 -4.274 -3.382 259 HB VAL 35 HB VAL 35 4.657 -2.658 -2.836 260 1HG1 VAL 35 1HG1 VAL 35 4.884 -4.650 -5.074 261 2HG1 VAL 35 2HG1 VAL 35 3.381 -4.562 -4.124 262 3HG1 VAL 35 3HG1 VAL 35 3.970 -3.125 -4.995 263 1HG2 VAL 35 1HG2 VAL 35 5.490 -5.538 -2.372 264 2HG2 VAL 35 2HG2 VAL 35 5.367 -4.233 -1.168 265 3HG2 VAL 35 3HG2 VAL 35 3.896 -4.878 -1.935 266 H MET 36 H MET 36 6.805 -0.949 -4.501 267 HA MET 36 HA MET 36 6.259 -1.556 -7.177 268 1HB MET 36 1HB MET 36 7.642 0.846 -5.858 269 2HB MET 36 2HB MET 36 7.094 0.833 -7.522 270 1HG MET 36 1HG MET 36 4.892 -0.052 -5.882 271 2HG MET 36 2HG MET 36 5.559 1.387 -5.136 272 1HE MET 36 1HE MET 36 2.978 0.389 -6.595 273 2HE MET 36 2HE MET 36 2.498 2.100 -6.498 274 3HE MET 36 3HE MET 36 2.530 1.272 -8.073 275 H ARG 37 H ARG 37 9.213 -1.499 -5.216 276 HA ARG 37 HA ARG 37 11.104 -1.094 -7.092 277 1HB ARG 37 1HB ARG 37 11.168 -3.143 -4.818 278 2HB ARG 37 2HB ARG 37 12.586 -2.533 -5.648 279 1HG ARG 37 1HG ARG 37 10.665 -0.535 -4.446 280 2HG ARG 37 2HG ARG 37 11.722 -1.421 -3.365 281 1HD ARG 37 1HD ARG 37 13.578 -0.258 -4.033 282 2HD ARG 37 2HD ARG 37 13.160 -0.384 -5.730 283 HE ARG 37 HE ARG 37 11.314 1.437 -4.858 284 1HH1 ARG 37 2HH2 ARG 37 14.797 1.231 -4.399 285 2HH1 ARG 37 1HH2 ARG 37 15.011 2.945 -4.278 286 1HH2 ARG 37 2HH1 ARG 37 11.596 3.699 -4.699 287 2HH2 ARG 37 1HH1 ARG 37 13.178 4.359 -4.450 288 H SER 38 H SER 38 9.579 -4.260 -6.146 289 HA SER 38 HA SER 38 10.976 -5.869 -7.826 290 1HB SER 38 1HB SER 38 8.133 -5.984 -6.777 291 2HB SER 38 2HB SER 38 8.741 -7.249 -7.826 292 HG SER 38 HG SER 38 10.262 -6.451 -5.522 293 H LEU 39 H LEU 39 8.379 -3.558 -8.530 294 HA LEU 39 HA LEU 39 8.085 -4.607 -11.228 295 1HB LEU 39 1HB LEU 39 6.400 -3.282 -9.363 296 2HB LEU 39 2HB LEU 39 6.582 -2.224 -10.748 297 HG LEU 39 HG LEU 39 6.111 -4.734 -11.880 298 1HD1 LEU 39 3HD1 LEU 39 4.349 -4.345 -9.447 299 2HD1 LEU 39 1HD1 LEU 39 4.011 -5.475 -10.780 300 3HD1 LEU 39 2HD1 LEU 39 5.461 -5.696 -9.771 301 1HD2 LEU 39 1HD2 LEU 39 4.487 -2.246 -11.449 302 2HD2 LEU 39 2HD2 LEU 39 5.186 -2.908 -12.946 303 3HD2 LEU 39 3HD2 LEU 39 3.752 -3.672 -12.220 304 H GLY 40 H GLY 40 10.686 -3.618 -10.488 305 1HA GLY 40 1HA GLY 40 12.224 -2.030 -11.012 306 2HA GLY 40 2HA GLY 40 11.506 -2.207 -12.600 307 H GLN 41 H GLN 41 9.668 -0.916 -9.824 308 HA GLN 41 HA GLN 41 9.625 1.631 -11.234 309 1HB GLN 41 1HB GLN 41 7.626 0.159 -9.522 310 2HB GLN 41 2HB GLN 41 7.548 1.909 -9.573 311 1HG GLN 41 1HG GLN 41 7.771 1.447 -12.236 312 2HG GLN 41 2HG GLN 41 7.053 -0.083 -11.772 313 1HE2 GLN 41 2HE2 GLN 41 3.894 1.177 -10.853 314 2HE2 GLN 41 1HE2 GLN 41 5.039 -0.112 -10.681 315 H ASN 42 H ASN 42 8.878 3.445 -9.364 316 HA ASN 42 HA ASN 42 9.844 3.254 -6.850 317 1HB ASN 42 1HB ASN 42 12.111 2.877 -7.590 318 2HB ASN 42 2HB ASN 42 11.986 4.082 -8.856 319 1HD2 ASN 42 2HD2 ASN 42 13.992 5.806 -6.428 320 2HD2 ASN 42 1HD2 ASN 42 14.067 4.618 -7.686 321 HA PRO 43 HA PRO 43 7.913 7.144 -8.293 322 1HB PRO 43 1HB PRO 43 5.651 7.029 -6.764 323 2HB PRO 43 2HB PRO 43 5.725 6.438 -8.412 324 1HG PRO 43 1HG PRO 43 5.688 4.896 -5.890 325 2HG PRO 43 2HG PRO 43 5.337 4.348 -7.516 326 1HD PRO 43 1HD PRO 43 7.744 3.878 -6.030 327 2HD PRO 43 2HD PRO 43 7.438 3.431 -7.696 328 H THR 44 H THR 44 8.495 9.093 -7.548 329 HA THR 44 HA THR 44 9.917 9.291 -5.204 330 HB THR 44 HB THR 44 9.321 11.806 -5.530 331 HG1 THR 44 HG1 THR 44 7.970 12.144 -7.382 332 1HG2 THR 44 2HG2 THR 44 10.365 10.070 -7.818 333 2HG2 THR 44 3HG2 THR 44 10.300 11.845 -7.931 334 3HG2 THR 44 1HG2 THR 44 11.313 11.070 -6.690 335 H GLU 45 H GLU 45 9.468 10.353 -3.154 336 HA GLU 45 HA GLU 45 7.385 9.189 -1.853 337 1HB GLU 45 1HB GLU 45 9.213 11.503 -1.281 338 2HB GLU 45 2HB GLU 45 7.824 11.304 -0.232 339 1HG GLU 45 1HG GLU 45 8.491 9.000 0.311 340 2HG GLU 45 2HG GLU 45 9.790 9.054 -0.864 341 H ALA 46 H ALA 46 7.514 12.277 -3.640 342 HA ALA 46 HA ALA 46 5.138 13.371 -2.636 343 1HB ALA 46 1HB ALA 46 7.174 14.021 -4.502 344 2HB ALA 46 2HB ALA 46 5.636 14.090 -5.396 345 3HB ALA 46 3HB ALA 46 5.855 15.067 -3.924 346 H GLU 47 H GLU 47 5.869 11.170 -5.402 347 HA GLU 47 HA GLU 47 3.335 11.195 -6.483 348 1HB GLU 47 1HB GLU 47 5.305 10.275 -7.644 349 2HB GLU 47 2HB GLU 47 5.437 8.985 -6.465 350 1HG GLU 47 1HG GLU 47 4.015 7.731 -7.703 351 2HG GLU 47 2HG GLU 47 2.744 8.900 -7.405 352 H LEU 48 H LEU 48 4.825 8.666 -4.323 353 HA LEU 48 HA LEU 48 2.639 7.114 -3.938 354 1HB LEU 48 1HB LEU 48 4.714 7.871 -1.876 355 2HB LEU 48 2HB LEU 48 3.655 6.477 -1.802 356 HG LEU 48 HG LEU 48 5.451 6.804 -4.182 357 1HD1 LEU 48 2HD1 LEU 48 6.323 6.106 -1.392 358 2HD1 LEU 48 3HD1 LEU 48 7.123 5.372 -2.802 359 3HD1 LEU 48 1HD1 LEU 48 7.113 7.141 -2.606 360 1HD2 LEU 48 1HD2 LEU 48 4.239 4.473 -2.689 361 2HD2 LEU 48 2HD2 LEU 48 3.924 5.008 -4.357 362 3HD2 LEU 48 3HD2 LEU 48 5.495 4.283 -3.937 363 H GLN 49 H GLN 49 3.589 9.945 -1.861 364 HA GLN 49 HA GLN 49 1.543 9.945 -0.159 365 1HB GLN 49 1HB GLN 49 3.551 11.682 -0.726 366 2HB GLN 49 2HB GLN 49 2.204 12.619 -1.342 367 1HG GLN 49 1HG GLN 49 2.176 13.310 0.880 368 2HG GLN 49 2HG GLN 49 1.067 11.956 0.980 369 1HE2 GLN 49 2HE2 GLN 49 2.899 10.581 3.569 370 2HE2 GLN 49 1HE2 GLN 49 1.390 11.127 2.916 371 H ASP 50 H ASP 50 1.487 11.120 -3.562 372 HA ASP 50 HA ASP 50 -1.069 12.214 -3.407 373 1HB ASP 50 1HB ASP 50 0.973 11.737 -5.405 374 2HB ASP 50 2HB ASP 50 -0.563 11.204 -6.059 375 H MET 51 H MET 51 0.273 8.974 -4.250 376 HA MET 51 HA MET 51 -2.137 7.915 -5.195 377 1HB MET 51 1HB MET 51 0.277 6.498 -3.932 378 2HB MET 51 2HB MET 51 -0.919 5.735 -4.960 379 1HG MET 51 1HG MET 51 -0.209 6.977 -6.899 380 2HG MET 51 2HG MET 51 0.696 8.126 -5.934 381 1HE MET 51 3HE MET 51 0.682 5.682 -8.184 382 2HE MET 51 1HE MET 51 2.382 6.126 -8.471 383 3HE MET 51 2HE MET 51 1.970 4.480 -7.934 384 H ILE 52 H ILE 52 -0.388 7.494 -2.030 385 HA ILE 52 HA ILE 52 -2.134 5.864 -0.763 386 HB ILE 52 HB ILE 52 -0.431 8.137 0.212 387 1HG1 ILE 52 1HG1 ILE 52 -0.201 5.137 0.096 388 2HG1 ILE 52 2HG1 ILE 52 0.901 6.354 -0.516 389 1HG2 ILE 52 2HG2 ILE 52 -2.610 6.911 1.645 390 2HG2 ILE 52 3HG2 ILE 52 -1.058 6.504 2.415 391 3HG2 ILE 52 1HG2 ILE 52 -1.501 8.207 2.153 392 1HD1 ILE 52 1HD1 ILE 52 0.971 7.048 2.100 393 2HD1 ILE 52 2HD1 ILE 52 0.563 5.324 2.280 394 3HD1 ILE 52 3HD1 ILE 52 2.044 5.803 1.416 395 H ASN 53 H ASN 53 -2.382 9.451 -1.136 396 HA ASN 53 HA ASN 53 -4.531 9.885 0.433 397 1HB ASN 53 1HB ASN 53 -3.477 11.124 -2.105 398 2HB ASN 53 2HB ASN 53 -5.093 11.598 -1.620 399 1HD2 ASN 53 2HD2 ASN 53 -2.429 13.842 -0.149 400 2HD2 ASN 53 1HD2 ASN 53 -2.755 13.231 -1.736 401 H GLU 54 H GLU 54 -4.439 8.936 -3.081 402 HA GLU 54 HA GLU 54 -7.104 8.953 -3.582 403 1HB GLU 54 1HB GLU 54 -4.872 7.183 -4.643 404 2HB GLU 54 2HB GLU 54 -6.502 7.081 -5.277 405 1HG GLU 54 1HG GLU 54 -6.229 9.754 -5.447 406 2HG GLU 54 2HG GLU 54 -4.525 9.349 -5.477 407 H VAL 55 H VAL 55 -5.157 6.564 -1.793 408 HA VAL 55 HA VAL 55 -7.585 4.948 -1.448 409 HB VAL 55 HB VAL 55 -5.577 3.389 -0.531 410 1HG1 VAL 55 3HG1 VAL 55 -7.157 3.611 -2.980 411 2HG1 VAL 55 1HG1 VAL 55 -5.605 2.782 -3.243 412 3HG1 VAL 55 2HG1 VAL 55 -6.740 2.176 -2.013 413 1HG2 VAL 55 2HG2 VAL 55 -3.920 5.181 -1.226 414 2HG2 VAL 55 3HG2 VAL 55 -3.617 3.551 -1.873 415 3HG2 VAL 55 1HG2 VAL 55 -4.344 4.800 -2.912 416 H ASP 56 H ASP 56 -7.140 7.475 -0.075 417 HA ASP 56 HA ASP 56 -7.379 6.452 2.570 418 1HB ASP 56 1HB ASP 56 -5.057 6.741 2.805 419 2HB ASP 56 2HB ASP 56 -5.002 8.077 1.672 420 H ALA 57 H ALA 57 -9.326 7.501 3.039 421 HA ALA 57 HA ALA 57 -9.651 10.244 2.069 422 1HB ALA 57 2HB ALA 57 -11.292 8.073 1.840 423 2HB ALA 57 3HB ALA 57 -11.919 8.803 3.337 424 3HB ALA 57 1HB ALA 57 -11.865 9.759 1.837 425 H ASP 58 H ASP 58 -8.699 8.459 4.810 426 HA ASP 58 HA ASP 58 -9.981 10.069 6.748 427 1HB ASP 58 1HB ASP 58 -9.211 8.443 8.129 428 2HB ASP 58 2HB ASP 58 -8.537 7.659 6.714 429 H GLY 59 H GLY 59 -6.728 9.849 5.178 430 1HA GLY 59 1HA GLY 59 -5.265 11.562 4.773 431 2HA GLY 59 2HA GLY 59 -6.209 12.635 5.787 432 H ASN 60 H ASN 60 -5.174 9.375 6.842 433 HA ASN 60 HA ASN 60 -3.935 10.540 9.105 434 1HB ASN 60 1HB ASN 60 -3.540 8.201 9.795 435 2HB ASN 60 2HB ASN 60 -5.174 8.352 9.178 436 1HD2 ASN 60 2HD2 ASN 60 -3.238 5.368 7.784 437 2HD2 ASN 60 1HD2 ASN 60 -3.378 6.041 9.374 438 H GLY 61 H GLY 61 -3.011 9.641 5.873 439 1HA GLY 61 1HA GLY 61 -0.937 10.252 4.970 440 2HA GLY 61 2HA GLY 61 -0.179 10.052 6.537 441 H THR 62 H THR 62 -1.657 7.447 7.055 442 HA THR 62 HA THR 62 0.062 5.782 5.351 443 HB THR 62 HB THR 62 -1.268 5.044 7.999 444 HG1 THR 62 HG1 THR 62 1.398 6.123 7.436 445 1HG2 THR 62 3HG2 THR 62 1.243 4.116 6.510 446 2HG2 THR 62 1HG2 THR 62 0.832 3.632 8.173 447 3HG2 THR 62 2HG2 THR 62 -0.219 3.149 6.820 448 H ILE 63 H ILE 63 -0.856 3.487 4.992 449 HA ILE 63 HA ILE 63 -3.661 3.827 4.188 450 HB ILE 63 HB ILE 63 -1.361 2.408 2.864 451 1HG1 ILE 63 1HG1 ILE 63 -2.273 4.970 2.578 452 2HG1 ILE 63 2HG1 ILE 63 -1.383 4.071 1.366 453 1HG2 ILE 63 3HG2 ILE 63 -4.319 1.977 2.516 454 2HG2 ILE 63 1HG2 ILE 63 -3.191 1.756 1.156 455 3HG2 ILE 63 2HG2 ILE 63 -3.005 0.782 2.635 456 1HD1 ILE 63 1HD1 ILE 63 -4.383 3.732 1.511 457 2HD1 ILE 63 2HD1 ILE 63 -3.705 5.190 0.748 458 3HD1 ILE 63 3HD1 ILE 63 -3.300 3.579 0.107 459 H ASP 64 H ASP 64 -5.142 2.225 4.730 460 HA ASP 64 HA ASP 64 -4.076 0.284 6.610 461 1HB ASP 64 1HB ASP 64 -6.957 1.189 6.145 462 2HB ASP 64 2HB ASP 64 -6.428 0.102 7.414 463 H PHE 65 H PHE 65 -6.171 -1.613 6.584 464 HA PHE 65 HA PHE 65 -5.648 -2.947 4.114 465 1HB PHE 65 1HB PHE 65 -5.782 -4.126 6.301 466 2HB PHE 65 2HB PHE 65 -7.376 -3.462 6.604 467 HD1 PHE 65 HD1 PHE 65 -5.927 -5.167 3.612 468 HD2 PHE 65 HD2 PHE 65 -8.891 -5.199 6.648 469 HE1 PHE 65 HE1 PHE 65 -6.972 -7.198 2.570 470 HE2 PHE 65 HE2 PHE 65 -9.936 -7.229 5.607 471 HZ PHE 65 HZ PHE 65 -8.964 -8.205 3.580 472 HA PRO 66 HA PRO 66 -10.288 -2.050 3.657 473 1HB PRO 66 1HB PRO 66 -11.431 -0.105 5.200 474 2HB PRO 66 2HB PRO 66 -11.511 -1.811 5.593 475 1HG PRO 66 1HG PRO 66 -9.851 0.301 6.828 476 2HG PRO 66 2HG PRO 66 -10.264 -1.281 7.460 477 1HD PRO 66 1HD PRO 66 -7.760 -0.496 6.303 478 2HD PRO 66 2HD PRO 66 -8.213 -2.105 6.828 479 H GLU 67 H GLU 67 -7.932 0.352 4.104 480 HA GLU 67 HA GLU 67 -9.301 2.135 2.307 481 1HB GLU 67 1HB GLU 67 -6.504 2.454 3.464 482 2HB GLU 67 2HB GLU 67 -7.533 3.712 2.809 483 1HG GLU 67 1HG GLU 67 -9.045 3.611 4.664 484 2HG GLU 67 2HG GLU 67 -8.452 2.044 5.178 485 H PHE 68 H PHE 68 -6.860 -0.392 2.288 486 HA PHE 68 HA PHE 68 -5.807 0.464 -0.271 487 1HB PHE 68 1HB PHE 68 -4.104 -0.501 1.048 488 2HB PHE 68 2HB PHE 68 -5.234 -1.502 1.937 489 HD1 PHE 68 HD1 PHE 68 -6.134 -3.593 0.817 490 HD2 PHE 68 HD2 PHE 68 -2.865 -1.386 -0.749 491 HE1 PHE 68 HE1 PHE 68 -5.441 -5.585 -0.543 492 HE2 PHE 68 HE2 PHE 68 -2.172 -3.378 -2.109 493 HZ PHE 68 HZ PHE 68 -3.468 -5.454 -1.990 494 H LEU 69 H LEU 69 -8.016 -1.958 1.151 495 HA LEU 69 HA LEU 69 -8.185 -3.862 -0.720 496 1HB LEU 69 1HB LEU 69 -10.202 -2.498 0.999 497 2HB LEU 69 2HB LEU 69 -10.782 -3.608 -0.227 498 HG LEU 69 HG LEU 69 -8.664 -4.415 1.770 499 1HD1 LEU 69 3HD1 LEU 69 -11.579 -4.061 2.186 500 2HD1 LEU 69 1HD1 LEU 69 -10.868 -5.579 2.786 501 3HD1 LEU 69 2HD1 LEU 69 -10.231 -4.015 3.348 502 1HD2 LEU 69 3HD2 LEU 69 -8.980 -5.789 -0.280 503 2HD2 LEU 69 1HD2 LEU 69 -9.319 -6.664 1.233 504 3HD2 LEU 69 2HD2 LEU 69 -10.663 -6.082 0.221 505 H THR 70 H THR 70 -9.607 -0.549 -0.951 506 HA THR 70 HA THR 70 -10.968 -0.864 -3.330 507 HB THR 70 HB THR 70 -11.146 1.117 -1.867 508 HG1 THR 70 HG1 THR 70 -11.597 1.600 -4.051 509 1HG2 THR 70 3HG2 THR 70 -8.474 1.094 -1.511 510 2HG2 THR 70 1HG2 THR 70 -8.518 2.167 -2.930 511 3HG2 THR 70 2HG2 THR 70 -9.391 2.618 -1.446 512 H MET 71 H MET 71 -7.489 -0.021 -2.824 513 HA MET 71 HA MET 71 -6.806 0.484 -5.373 514 1HB MET 71 1HB MET 71 -5.509 -0.118 -2.921 515 2HB MET 71 2HB MET 71 -4.854 -1.297 -4.039 516 1HG MET 71 1HG MET 71 -4.943 1.264 -5.387 517 2HG MET 71 2HG MET 71 -4.195 1.499 -3.820 518 1HE MET 71 1HE MET 71 -4.092 -0.008 -7.257 519 2HE MET 71 2HE MET 71 -2.995 1.386 -7.119 520 3HE MET 71 3HE MET 71 -2.340 -0.230 -7.477 521 H MET 72 H MET 72 -6.859 -2.791 -3.795 522 HA MET 72 HA MET 72 -5.997 -4.230 -5.933 523 1HB MET 72 1HB MET 72 -8.057 -4.879 -3.757 524 2HB MET 72 2HB MET 72 -7.422 -6.102 -4.840 525 1HG MET 72 1HG MET 72 -5.265 -4.494 -3.635 526 2HG MET 72 2HG MET 72 -6.262 -5.258 -2.413 527 1HE MET 72 3HE MET 72 -3.548 -5.362 -4.659 528 2HE MET 72 1HE MET 72 -3.088 -7.059 -4.933 529 3HE MET 72 2HE MET 72 -4.340 -6.302 -5.946 530 H ALA 73 H ALA 73 -9.397 -3.296 -5.085 531 HA ALA 73 HA ALA 73 -10.774 -4.644 -6.985 532 1HB ALA 73 2HB ALA 73 -11.339 -2.734 -5.135 533 2HB ALA 73 3HB ALA 73 -11.521 -1.783 -6.628 534 3HB ALA 73 1HB ALA 73 -12.489 -3.258 -6.389 535 H ARG 74 H ARG 74 -9.178 -1.403 -7.384 536 HA ARG 74 HA ARG 74 -9.325 -1.916 -10.247 537 1HB ARG 74 1HB ARG 74 -9.068 0.809 -8.885 538 2HB ARG 74 2HB ARG 74 -9.363 0.518 -10.588 539 1HG ARG 74 1HG ARG 74 -11.592 -0.159 -10.234 540 2HG ARG 74 2HG ARG 74 -11.294 -0.651 -8.579 541 1HD ARG 74 1HD ARG 74 -11.548 2.192 -9.651 542 2HD ARG 74 2HD ARG 74 -12.578 1.398 -8.476 543 HE ARG 74 HE ARG 74 -10.128 1.288 -7.240 544 1HH1 ARG 74 2HH2 ARG 74 -11.903 3.923 -8.754 545 2HH1 ARG 74 1HH2 ARG 74 -11.218 5.142 -7.731 546 1HH2 ARG 74 2HH1 ARG 74 -9.224 2.895 -5.891 547 2HH2 ARG 74 1HH1 ARG 74 -9.684 4.553 -6.092 548 H LYS 75 H LYS 75 -7.262 -3.183 -9.877 549 HA LYS 75 HA LYS 75 -4.973 -2.207 -8.776 550 1HB LYS 75 1HB LYS 75 -4.110 -4.116 -9.555 551 2HB LYS 75 2HB LYS 75 -5.714 -4.455 -10.173 552 1HG LYS 75 1HG LYS 75 -5.021 -3.153 -12.300 553 2HG LYS 75 2HG LYS 75 -3.383 -3.192 -11.678 554 1HD LYS 75 1HD LYS 75 -3.639 -5.748 -11.489 555 2HD LYS 75 2HD LYS 75 -5.139 -5.586 -12.379 556 1HE LYS 75 1HE LYS 75 -3.695 -5.940 -14.163 557 2HE LYS 75 2HE LYS 75 -3.602 -4.192 -14.079 558 1HZ LYS 75 3HZ LYS 75 -1.774 -5.581 -12.361 559 2HZ LYS 75 1HZ LYS 75 -1.501 -5.789 -13.958 560 3HZ LYS 75 2HZ LYS 75 -1.522 -4.285 -13.321 No H/Q in entry = 560 Start of MODEL 17 1 H MET 0 H MET 0 -20.178 -30.948 -2.768 2 HA MET 0 HA MET 0 -18.793 -29.262 -3.099 3 1HB MET 0 1HB MET 0 -21.536 -28.600 -3.799 4 2HB MET 0 2HB MET 0 -20.738 -27.121 -3.304 5 1HG MET 0 1HG MET 0 -20.249 -27.233 -5.619 6 2HG MET 0 2HG MET 0 -18.788 -27.862 -4.884 7 1HE MET 0 1HE MET 0 -17.694 -29.453 -5.774 8 2HE MET 0 2HE MET 0 -18.223 -30.922 -6.628 9 3HE MET 0 3HE MET 0 -18.269 -29.348 -7.456 10 H ALA 1 H ALA 1 -18.410 -26.687 -2.608 11 HA ALA 1 HA ALA 1 -19.311 -25.751 -0.111 12 1HB ALA 1 3HB ALA 1 -17.695 -27.749 0.429 13 2HB ALA 1 1HB ALA 1 -16.414 -26.595 -0.016 14 3HB ALA 1 2HB ALA 1 -17.525 -26.219 1.324 15 H ASP 2 H ASP 2 -19.131 -23.562 -0.227 16 HA ASP 2 HA ASP 2 -16.812 -22.372 -1.291 17 1HB ASP 2 1HB ASP 2 -18.114 -23.028 -3.385 18 2HB ASP 2 2HB ASP 2 -19.409 -21.977 -2.848 19 H GLN 3 H GLN 3 -16.811 -20.060 -0.758 20 HA GLN 3 HA GLN 3 -19.238 -18.899 0.188 21 1HB GLN 3 1HB GLN 3 -18.354 -20.250 2.158 22 2HB GLN 3 2HB GLN 3 -16.935 -19.221 2.159 23 1HG GLN 3 1HG GLN 3 -18.435 -18.263 3.772 24 2HG GLN 3 2HG GLN 3 -18.505 -17.209 2.374 25 1HE2 GLN 3 2HE2 GLN 3 -21.985 -17.517 3.191 26 2HE2 GLN 3 1HE2 GLN 3 -20.531 -16.683 3.628 27 H LEU 4 H LEU 4 -19.202 -16.799 -0.492 28 HA LEU 4 HA LEU 4 -16.575 -15.665 -1.098 29 1HB LEU 4 1HB LEU 4 -17.806 -14.117 -2.531 30 2HB LEU 4 2HB LEU 4 -18.041 -15.795 -2.979 31 HG LEU 4 HG LEU 4 -20.141 -15.028 -1.175 32 1HD1 LEU 4 2HD1 LEU 4 -19.397 -12.727 -2.139 33 2HD1 LEU 4 3HD1 LEU 4 -20.199 -13.291 -3.625 34 3HD1 LEU 4 1HD1 LEU 4 -21.124 -13.156 -2.110 35 1HD2 LEU 4 3HD2 LEU 4 -19.907 -15.995 -4.008 36 2HD2 LEU 4 1HD2 LEU 4 -20.598 -16.803 -2.580 37 3HD2 LEU 4 2HD2 LEU 4 -21.482 -15.473 -3.365 38 H THR 5 H THR 5 -17.730 -12.913 -1.144 39 HA THR 5 HA THR 5 -17.979 -11.169 0.215 40 HB THR 5 HB THR 5 -19.624 -11.376 1.862 41 HG1 THR 5 HG1 THR 5 -18.444 -14.005 2.416 42 1HG2 THR 5 1HG2 THR 5 -20.077 -13.118 -0.188 43 2HG2 THR 5 2HG2 THR 5 -19.956 -14.280 1.155 44 3HG2 THR 5 3HG2 THR 5 -21.176 -12.985 1.206 45 H GLU 6 H GLU 6 -17.705 -11.337 3.237 46 HA GLU 6 HA GLU 6 -15.269 -10.462 3.568 47 1HB GLU 6 1HB GLU 6 -16.794 -12.359 5.394 48 2HB GLU 6 2HB GLU 6 -15.319 -11.561 5.900 49 1HG GLU 6 1HG GLU 6 -16.403 -9.332 5.300 50 2HG GLU 6 2HG GLU 6 -17.896 -10.197 4.993 51 H GLU 7 H GLU 7 -16.088 -14.001 3.663 52 HA GLU 7 HA GLU 7 -13.768 -15.098 4.236 53 1HB GLU 7 1HB GLU 7 -15.786 -15.860 2.104 54 2HB GLU 7 2HB GLU 7 -14.385 -16.870 2.403 55 1HG GLU 7 1HG GLU 7 -15.665 -16.109 4.928 56 2HG GLU 7 2HG GLU 7 -16.825 -16.861 3.851 57 H GLN 8 H GLN 8 -14.598 -13.571 1.083 58 HA GLN 8 HA GLN 8 -12.253 -14.366 -0.200 59 1HB GLN 8 1HB GLN 8 -14.612 -12.998 -0.880 60 2HB GLN 8 2HB GLN 8 -13.353 -11.807 -1.141 61 1HG GLN 8 1HG GLN 8 -13.106 -12.835 -3.171 62 2HG GLN 8 2HG GLN 8 -12.167 -14.010 -2.272 63 1HE2 GLN 8 2HE2 GLN 8 -14.788 -16.467 -2.064 64 2HE2 GLN 8 1HE2 GLN 8 -13.526 -15.726 -1.138 65 H ILE 9 H ILE 9 -13.214 -11.225 1.361 66 HA ILE 9 HA ILE 9 -10.917 -9.826 0.931 67 HB ILE 9 HB ILE 9 -13.241 -9.418 2.253 68 1HG1 ILE 9 1HG1 ILE 9 -11.928 -7.228 3.039 69 2HG1 ILE 9 2HG1 ILE 9 -10.703 -7.869 1.962 70 1HG2 ILE 9 1HG2 ILE 9 -11.082 -9.563 4.373 71 2HG2 ILE 9 2HG2 ILE 9 -12.668 -8.781 4.582 72 3HG2 ILE 9 3HG2 ILE 9 -12.571 -10.533 4.281 73 1HD1 ILE 9 2HD1 ILE 9 -13.493 -7.920 0.892 74 2HD1 ILE 9 3HD1 ILE 9 -12.773 -6.307 1.117 75 3HD1 ILE 9 1HD1 ILE 9 -11.967 -7.504 0.074 76 H ALA 10 H ALA 10 -11.630 -12.143 3.622 77 HA ALA 10 HA ALA 10 -9.482 -11.915 5.176 78 1HB ALA 10 1HB ALA 10 -11.450 -13.689 5.010 79 2HB ALA 10 2HB ALA 10 -10.196 -14.679 4.225 80 3HB ALA 10 3HB ALA 10 -9.947 -14.076 5.881 81 H GLU 11 H GLU 11 -9.547 -13.312 1.868 82 HA GLU 11 HA GLU 11 -6.918 -14.264 1.981 83 1HB GLU 11 1HB GLU 11 -8.667 -13.521 -0.405 84 2HB GLU 11 2HB GLU 11 -7.153 -14.395 -0.525 85 1HG GLU 11 1HG GLU 11 -8.068 -16.209 0.922 86 2HG GLU 11 2HG GLU 11 -9.575 -15.329 1.087 87 H PHE 12 H PHE 12 -8.399 -11.281 0.528 88 HA PHE 12 HA PHE 12 -6.229 -10.137 -0.578 89 1HB PHE 12 1HB PHE 12 -8.593 -9.120 1.069 90 2HB PHE 12 2HB PHE 12 -7.434 -7.960 0.450 91 HD1 PHE 12 HD1 PHE 12 -9.846 -10.576 -0.567 92 HD2 PHE 12 HD2 PHE 12 -7.497 -7.266 -1.808 93 HE1 PHE 12 HE1 PHE 12 -11.053 -10.544 -2.767 94 HE2 PHE 12 HE2 PHE 12 -8.705 -7.234 -4.008 95 HZ PHE 12 HZ PHE 12 -10.469 -8.873 -4.461 96 H LYS 13 H LYS 13 -6.844 -10.647 2.868 97 HA LYS 13 HA LYS 13 -5.383 -8.727 4.075 98 1HB LYS 13 1HB LYS 13 -5.570 -11.680 4.723 99 2HB LYS 13 2HB LYS 13 -4.857 -10.496 5.799 100 1HG LYS 13 1HG LYS 13 -7.105 -9.174 5.495 101 2HG LYS 13 2HG LYS 13 -7.741 -10.678 4.858 102 1HD LYS 13 1HD LYS 13 -7.413 -11.838 6.920 103 2HD LYS 13 2HD LYS 13 -6.277 -10.646 7.519 104 1HE LYS 13 1HE LYS 13 -8.694 -9.218 6.987 105 2HE LYS 13 2HE LYS 13 -9.180 -10.700 7.786 106 1HZ LYS 13 2HZ LYS 13 -7.015 -9.006 8.808 107 2HZ LYS 13 3HZ LYS 13 -8.572 -8.817 9.263 108 3HZ LYS 13 1HZ LYS 13 -7.789 -10.213 9.589 109 H GLU 14 H GLU 14 -4.090 -11.793 2.630 110 HA GLU 14 HA GLU 14 -1.460 -11.286 3.251 111 1HB GLU 14 1HB GLU 14 -2.655 -12.824 0.904 112 2HB GLU 14 2HB GLU 14 -0.965 -12.897 1.364 113 1HG GLU 14 1HG GLU 14 -2.123 -13.415 3.791 114 2HG GLU 14 2HG GLU 14 -3.360 -14.063 2.732 115 H ALA 15 H ALA 15 -3.461 -10.286 0.430 116 HA ALA 15 HA ALA 15 -1.479 -9.318 -1.208 117 1HB ALA 15 2HB ALA 15 -4.263 -9.368 -1.131 118 2HB ALA 15 3HB ALA 15 -3.878 -7.630 -1.120 119 3HB ALA 15 1HB ALA 15 -3.264 -8.670 -2.428 120 H PHE 16 H PHE 16 -3.328 -7.548 1.374 121 HA PHE 16 HA PHE 16 -2.067 -5.131 1.116 122 1HB PHE 16 1HB PHE 16 -4.063 -5.802 2.569 123 2HB PHE 16 2HB PHE 16 -2.964 -6.641 3.645 124 HD1 PHE 16 HD2 PHE 16 -3.224 -3.241 2.103 125 HD2 PHE 16 HD1 PHE 16 -2.450 -5.533 5.589 126 HE1 PHE 16 HE2 PHE 16 -2.903 -1.129 3.421 127 HE2 PHE 16 HE1 PHE 16 -2.129 -3.421 6.907 128 HZ PHE 16 HZ PHE 16 -2.359 -1.244 5.807 129 H SER 17 H SER 17 -0.970 -8.118 2.762 130 HA SER 17 HA SER 17 1.038 -6.997 4.266 131 1HB SER 17 1HB SER 17 1.085 -9.733 2.919 132 2HB SER 17 2HB SER 17 1.989 -9.263 4.345 133 HG SER 17 HG SER 17 -0.883 -9.511 4.094 134 H LEU 18 H LEU 18 1.106 -8.376 0.906 135 HA LEU 18 HA LEU 18 3.669 -8.284 0.247 136 1HB LEU 18 1HB LEU 18 1.172 -8.063 -1.118 137 2HB LEU 18 2HB LEU 18 2.303 -6.950 -1.861 138 HG LEU 18 HG LEU 18 3.818 -9.247 -1.611 139 1HD1 LEU 18 2HD1 LEU 18 1.605 -10.365 -0.928 140 2HD1 LEU 18 3HD1 LEU 18 1.150 -10.196 -2.640 141 3HD1 LEU 18 1HD1 LEU 18 2.588 -11.144 -2.191 142 1HD2 LEU 18 2HD2 LEU 18 3.451 -7.576 -3.541 143 2HD2 LEU 18 3HD2 LEU 18 3.851 -9.264 -3.940 144 3HD2 LEU 18 1HD2 LEU 18 2.170 -8.693 -4.070 145 H PHE 19 H PHE 19 1.523 -5.356 0.281 146 HA PHE 19 HA PHE 19 3.735 -3.635 -0.233 147 1HB PHE 19 1HB PHE 19 0.811 -3.359 0.654 148 2HB PHE 19 2HB PHE 19 1.829 -1.944 0.480 149 HD1 PHE 19 HD1 PHE 19 0.417 -4.820 -1.381 150 HD2 PHE 19 HD2 PHE 19 2.202 -0.978 -1.636 151 HE1 PHE 19 HE1 PHE 19 -0.128 -4.729 -3.829 152 HE2 PHE 19 HE2 PHE 19 1.658 -0.888 -4.085 153 HZ PHE 19 HZ PHE 19 0.500 -2.765 -5.152 154 H ASP 20 H ASP 20 1.692 -4.448 2.649 155 HA ASP 20 HA ASP 20 3.207 -2.698 4.288 156 1HB ASP 20 1HB ASP 20 0.904 -3.055 4.888 157 2HB ASP 20 2HB ASP 20 1.065 -4.797 4.789 158 H LYS 21 H LYS 21 5.414 -3.497 4.174 159 HA LYS 21 HA LYS 21 6.034 -6.228 4.506 160 1HB LYS 21 1HB LYS 21 8.345 -5.444 4.652 161 2HB LYS 21 2HB LYS 21 7.499 -4.690 3.315 162 1HG LYS 21 1HG LYS 21 6.978 -2.759 5.032 163 2HG LYS 21 2HG LYS 21 8.270 -3.464 5.984 164 1HD LYS 21 1HD LYS 21 9.407 -3.368 3.442 165 2HD LYS 21 2HD LYS 21 8.419 -1.921 3.455 166 1HE LYS 21 1HE LYS 21 9.474 -1.333 5.717 167 2HE LYS 21 2HE LYS 21 10.574 -2.676 5.482 168 1HZ LYS 21 2HZ LYS 21 10.324 -0.783 3.309 169 2HZ LYS 21 3HZ LYS 21 11.122 -0.281 4.643 170 3HZ LYS 21 1HZ LYS 21 11.639 -1.600 3.831 171 H ASP 22 H ASP 22 6.262 -3.369 6.736 172 HA ASP 22 HA ASP 22 7.204 -4.654 8.905 173 1HB ASP 22 1HB ASP 22 4.943 -2.632 9.120 174 2HB ASP 22 2HB ASP 22 6.297 -2.847 10.212 175 H GLY 23 H GLY 23 4.055 -4.906 7.346 176 1HA GLY 23 1HA GLY 23 2.227 -6.143 7.763 177 2HA GLY 23 2HA GLY 23 3.242 -7.162 8.764 178 H ASP 24 H ASP 24 3.220 -3.798 9.686 179 HA ASP 24 HA ASP 24 2.252 -4.361 12.199 180 1HB ASP 24 1HB ASP 24 2.036 -1.853 12.405 181 2HB ASP 24 2HB ASP 24 3.593 -2.382 11.799 182 H GLY 25 H GLY 25 0.686 -3.422 9.133 183 1HA GLY 25 1HA GLY 25 -1.659 -4.214 9.005 184 2HA GLY 25 2HA GLY 25 -1.936 -3.351 10.505 185 H THR 26 H THR 26 0.389 -1.633 8.715 186 HA THR 26 HA THR 26 -1.623 -0.117 7.221 187 HB THR 26 HB THR 26 -1.026 0.752 9.679 188 HG1 THR 26 HG1 THR 26 -1.734 2.675 8.735 189 1HG2 THR 26 3HG2 THR 26 1.549 0.805 8.590 190 2HG2 THR 26 1HG2 THR 26 0.968 2.462 8.299 191 3HG2 THR 26 2HG2 THR 26 0.999 1.808 9.954 192 H ILE 27 H ILE 27 -0.739 1.211 5.509 193 HA ILE 27 HA ILE 27 1.954 0.314 4.750 194 HB ILE 27 HB ILE 27 -0.483 0.693 3.009 195 1HG1 ILE 27 1HG1 ILE 27 1.163 -1.788 3.587 196 2HG1 ILE 27 2HG1 ILE 27 -0.383 -1.418 4.326 197 1HG2 ILE 27 2HG2 ILE 27 1.578 1.559 1.940 198 2HG2 ILE 27 3HG2 ILE 27 2.332 -0.038 2.160 199 3HG2 ILE 27 1HG2 ILE 27 0.902 0.135 1.114 200 1HD1 ILE 27 3HD1 ILE 27 0.074 -1.675 1.318 201 2HD1 ILE 27 1HD1 ILE 27 -0.611 -2.946 2.359 202 3HD1 ILE 27 2HD1 ILE 27 -1.491 -1.417 2.125 203 H THR 28 H THR 28 3.333 1.992 4.950 204 HA THR 28 HA THR 28 2.300 4.692 4.771 205 HB THR 28 HB THR 28 3.888 4.017 6.569 206 HG1 THR 28 HG1 THR 28 4.392 6.131 6.111 207 1HG2 THR 28 2HG2 THR 28 5.812 3.571 4.225 208 2HG2 THR 28 3HG2 THR 28 6.280 3.610 5.942 209 3HG2 THR 28 1HG2 THR 28 5.228 2.308 5.335 210 H THR 29 H THR 29 4.958 5.684 3.761 211 HA THR 29 HA THR 29 4.226 5.523 0.955 212 HB THR 29 HB THR 29 6.156 7.327 0.947 213 HG1 THR 29 HG1 THR 29 7.049 7.364 2.972 214 1HG2 THR 29 2HG2 THR 29 3.590 7.797 1.019 215 2HG2 THR 29 3HG2 THR 29 3.802 7.974 2.778 216 3HG2 THR 29 1HG2 THR 29 4.657 9.067 1.664 217 H LYS 30 H LYS 30 7.091 4.852 3.058 218 HA LYS 30 HA LYS 30 8.727 3.963 0.993 219 1HB LYS 30 1HB LYS 30 8.698 3.890 3.937 220 2HB LYS 30 2HB LYS 30 9.561 2.554 3.205 221 1HG LYS 30 1HG LYS 30 10.155 5.117 1.870 222 2HG LYS 30 2HG LYS 30 10.545 5.160 3.578 223 1HD LYS 30 1HD LYS 30 11.455 2.624 2.608 224 2HD LYS 30 2HD LYS 30 11.959 3.814 1.425 225 1HE LYS 30 1HE LYS 30 12.403 4.297 4.394 226 2HE LYS 30 2HE LYS 30 13.535 3.333 3.467 227 1HZ LYS 30 1HZ LYS 30 12.735 5.932 2.435 228 2HZ LYS 30 2HZ LYS 30 13.832 5.867 3.642 229 3HZ LYS 30 3HZ LYS 30 14.137 5.124 2.220 230 H GLU 31 H GLU 31 6.548 2.115 3.230 231 HA GLU 31 HA GLU 31 7.098 -0.350 2.143 232 1HB GLU 31 1HB GLU 31 4.538 0.668 3.454 233 2HB GLU 31 2HB GLU 31 4.895 -1.023 3.167 234 1HG GLU 31 1HG GLU 31 6.965 -0.817 4.570 235 2HG GLU 31 2HG GLU 31 6.589 0.868 4.868 236 H LEU 32 H LEU 32 5.231 2.339 0.898 237 HA LEU 32 HA LEU 32 3.737 0.674 -0.933 238 1HB LEU 32 1HB LEU 32 2.905 2.778 0.258 239 2HB LEU 32 2HB LEU 32 3.884 3.681 -0.882 240 HG LEU 32 HG LEU 32 2.422 1.982 -2.522 241 1HD1 LEU 32 2HD1 LEU 32 1.082 1.452 -0.407 242 2HD1 LEU 32 3HD1 LEU 32 0.451 3.112 -0.537 243 3HD1 LEU 32 1HD1 LEU 32 0.175 1.949 -1.856 244 1HD2 LEU 32 2HD2 LEU 32 2.753 4.778 -2.044 245 2HD2 LEU 32 3HD2 LEU 32 2.228 3.946 -3.527 246 3HD2 LEU 32 1HD2 LEU 32 1.025 4.449 -2.315 247 H GLY 33 H GLY 33 6.565 2.881 -0.888 248 1HA GLY 33 1HA GLY 33 6.923 2.721 -3.750 249 2HA GLY 33 2HA GLY 33 7.959 3.512 -2.578 250 H THR 34 H THR 34 7.362 0.501 -1.255 251 HA THR 34 HA THR 34 9.959 -0.456 -2.096 252 HB THR 34 HB THR 34 7.999 -0.883 0.112 253 HG1 THR 34 HG1 THR 34 10.887 -1.162 -0.345 254 1HG2 THR 34 2HG2 THR 34 9.520 -3.149 -1.192 255 2HG2 THR 34 3HG2 THR 34 9.514 -3.056 0.585 256 3HG2 THR 34 1HG2 THR 34 7.978 -3.197 -0.304 257 H VAL 35 H VAL 35 6.709 -2.056 -1.864 258 HA VAL 35 HA VAL 35 7.257 -4.227 -3.366 259 HB VAL 35 HB VAL 35 4.845 -2.584 -2.822 260 1HG1 VAL 35 1HG1 VAL 35 4.960 -4.694 -4.995 261 2HG1 VAL 35 2HG1 VAL 35 3.452 -4.196 -4.191 262 3HG1 VAL 35 3HG1 VAL 35 4.396 -3.011 -5.126 263 1HG2 VAL 35 1HG2 VAL 35 5.617 -5.491 -2.433 264 2HG2 VAL 35 2HG2 VAL 35 5.491 -4.222 -1.192 265 3HG2 VAL 35 3HG2 VAL 35 4.025 -4.818 -2.007 266 H MET 36 H MET 36 6.994 -0.874 -4.434 267 HA MET 36 HA MET 36 6.509 -1.427 -7.128 268 1HB MET 36 1HB MET 36 7.878 0.933 -5.722 269 2HB MET 36 2HB MET 36 7.399 0.960 -7.407 270 1HG MET 36 1HG MET 36 5.135 0.069 -5.829 271 2HG MET 36 2HG MET 36 5.778 1.527 -5.100 272 1HE MET 36 2HE MET 36 2.936 1.627 -6.166 273 2HE MET 36 3HE MET 36 2.688 1.923 -7.904 274 3HE MET 36 1HE MET 36 3.236 0.326 -7.342 275 H ARG 37 H ARG 37 9.531 -0.922 -5.211 276 HA ARG 37 HA ARG 37 11.291 -0.826 -7.271 277 1HB ARG 37 1HB ARG 37 11.479 -1.899 -4.435 278 2HB ARG 37 2HB ARG 37 12.867 -2.022 -5.498 279 1HG ARG 37 1HG ARG 37 13.260 0.254 -5.486 280 2HG ARG 37 2HG ARG 37 11.555 0.659 -5.462 281 1HD ARG 37 1HD ARG 37 11.916 -0.558 -2.971 282 2HD ARG 37 2HD ARG 37 13.432 0.291 -3.197 283 HE ARG 37 HE ARG 37 10.780 1.503 -2.845 284 1HH1 ARG 37 2HH2 ARG 37 14.072 2.011 -3.981 285 2HH1 ARG 37 1HH2 ARG 37 13.996 3.734 -3.824 286 1HH2 ARG 37 2HH1 ARG 37 10.680 3.777 -2.639 287 2HH2 ARG 37 1HH1 ARG 37 12.054 4.746 -3.056 288 H SER 38 H SER 38 9.432 -3.548 -6.016 289 HA SER 38 HA SER 38 11.138 -5.521 -7.142 290 1HB SER 38 1HB SER 38 9.346 -5.616 -5.144 291 2HB SER 38 2HB SER 38 8.263 -6.084 -6.439 292 HG SER 38 HG SER 38 10.748 -7.418 -6.447 293 H LEU 39 H LEU 39 9.180 -3.217 -8.524 294 HA LEU 39 HA LEU 39 8.501 -4.999 -10.760 295 1HB LEU 39 1HB LEU 39 6.747 -3.544 -9.149 296 2HB LEU 39 2HB LEU 39 6.898 -2.585 -10.608 297 HG LEU 39 HG LEU 39 6.547 -5.149 -11.598 298 1HD1 LEU 39 1HD1 LEU 39 5.085 -4.858 -8.992 299 2HD1 LEU 39 2HD1 LEU 39 4.354 -5.769 -10.335 300 3HD1 LEU 39 3HD1 LEU 39 5.929 -6.268 -9.674 301 1HD2 LEU 39 2HD2 LEU 39 4.986 -2.663 -11.376 302 2HD2 LEU 39 3HD2 LEU 39 5.324 -3.694 -12.787 303 3HD2 LEU 39 1HD2 LEU 39 4.017 -4.129 -11.660 304 H GLY 40 H GLY 40 10.899 -3.178 -9.900 305 1HA GLY 40 1HA GLY 40 12.433 -2.013 -11.073 306 2HA GLY 40 2HA GLY 40 11.479 -2.249 -12.524 307 H GLN 41 H GLN 41 9.794 -0.885 -9.763 308 HA GLN 41 HA GLN 41 9.846 1.677 -11.145 309 1HB GLN 41 1HB GLN 41 7.773 0.265 -9.456 310 2HB GLN 41 2HB GLN 41 7.731 2.013 -9.577 311 1HG GLN 41 1HG GLN 41 8.104 1.184 -12.239 312 2HG GLN 41 2HG GLN 41 7.008 -0.019 -11.589 313 1HE2 GLN 41 2HE2 GLN 41 4.282 2.157 -11.004 314 2HE2 GLN 41 1HE2 GLN 41 5.065 0.687 -10.528 315 H ASN 42 H ASN 42 9.246 3.560 -9.392 316 HA ASN 42 HA ASN 42 10.111 3.290 -6.811 317 1HB ASN 42 1HB ASN 42 12.353 2.897 -8.109 318 2HB ASN 42 2HB ASN 42 12.285 4.603 -8.505 319 1HD2 ASN 42 2HD2 ASN 42 14.375 4.557 -5.564 320 2HD2 ASN 42 1HD2 ASN 42 14.402 4.211 -7.261 321 HA PRO 43 HA PRO 43 8.280 7.232 -8.264 322 1HB PRO 43 1HB PRO 43 5.951 7.123 -6.838 323 2HB PRO 43 2HB PRO 43 6.088 6.567 -8.494 324 1HG PRO 43 1HG PRO 43 5.915 4.971 -6.012 325 2HG PRO 43 2HG PRO 43 5.627 4.465 -7.665 326 1HD PRO 43 1HD PRO 43 7.959 3.921 -6.086 327 2HD PRO 43 2HD PRO 43 7.718 3.516 -7.774 328 H THR 44 H THR 44 8.802 9.174 -7.444 329 HA THR 44 HA THR 44 10.179 9.329 -5.084 330 HB THR 44 HB THR 44 9.694 11.801 -5.320 331 HG1 THR 44 HG1 THR 44 7.986 12.337 -6.713 332 1HG2 THR 44 1HG2 THR 44 10.684 10.053 -7.481 333 2HG2 THR 44 2HG2 THR 44 9.939 11.540 -8.116 334 3HG2 THR 44 3HG2 THR 44 11.289 11.644 -6.960 335 H GLU 45 H GLU 45 9.536 10.717 -3.113 336 HA GLU 45 HA GLU 45 7.500 9.292 -1.834 337 1HB GLU 45 1HB GLU 45 9.177 11.709 -1.091 338 2HB GLU 45 2HB GLU 45 7.911 11.137 -0.022 339 1HG GLU 45 1HG GLU 45 8.973 9.025 0.315 340 2HG GLU 45 2HG GLU 45 9.981 9.198 -1.108 341 H ALA 46 H ALA 46 7.559 12.207 -3.776 342 HA ALA 46 HA ALA 46 5.246 13.416 -2.670 343 1HB ALA 46 3HB ALA 46 7.248 13.990 -4.614 344 2HB ALA 46 1HB ALA 46 5.675 14.100 -5.439 345 3HB ALA 46 2HB ALA 46 5.987 15.078 -3.985 346 H GLU 47 H GLU 47 5.903 11.187 -5.437 347 HA GLU 47 HA GLU 47 3.329 11.207 -6.431 348 1HB GLU 47 1HB GLU 47 5.239 10.312 -7.687 349 2HB GLU 47 2HB GLU 47 5.467 9.035 -6.510 350 1HG GLU 47 1HG GLU 47 3.849 7.739 -7.453 351 2HG GLU 47 2HG GLU 47 2.702 9.064 -7.490 352 H LEU 48 H LEU 48 4.918 8.662 -4.361 353 HA LEU 48 HA LEU 48 2.801 7.069 -3.898 354 1HB LEU 48 1HB LEU 48 4.887 7.935 -1.891 355 2HB LEU 48 2HB LEU 48 3.858 6.524 -1.742 356 HG LEU 48 HG LEU 48 5.567 6.785 -4.188 357 1HD1 LEU 48 3HD1 LEU 48 7.028 7.369 -2.248 358 2HD1 LEU 48 1HD1 LEU 48 6.658 5.774 -1.550 359 3HD1 LEU 48 2HD1 LEU 48 7.509 5.888 -3.110 360 1HD2 LEU 48 3HD2 LEU 48 3.911 4.951 -3.923 361 2HD2 LEU 48 1HD2 LEU 48 5.586 4.380 -4.104 362 3HD2 LEU 48 2HD2 LEU 48 4.816 4.385 -2.499 363 H GLN 49 H GLN 49 3.665 9.945 -1.845 364 HA GLN 49 HA GLN 49 1.670 9.912 -0.114 365 1HB GLN 49 1HB GLN 49 3.549 11.734 -0.768 366 2HB GLN 49 2HB GLN 49 2.160 12.564 -1.441 367 1HG GLN 49 1HG GLN 49 2.002 13.377 0.715 368 2HG GLN 49 2HG GLN 49 1.075 11.907 0.943 369 1HE2 GLN 49 2HE2 GLN 49 3.101 10.973 3.583 370 2HE2 GLN 49 1HE2 GLN 49 1.526 11.270 2.925 371 H ASP 50 H ASP 50 1.435 11.121 -3.516 372 HA ASP 50 HA ASP 50 -1.170 12.009 -3.322 373 1HB ASP 50 1HB ASP 50 0.826 11.733 -5.325 374 2HB ASP 50 2HB ASP 50 -0.552 10.844 -5.941 375 H MET 51 H MET 51 0.296 8.833 -4.273 376 HA MET 51 HA MET 51 -2.070 7.616 -5.043 377 1HB MET 51 1HB MET 51 0.456 6.386 -3.805 378 2HB MET 51 2HB MET 51 -0.735 5.502 -4.738 379 1HG MET 51 1HG MET 51 -0.183 6.681 -6.768 380 2HG MET 51 2HG MET 51 0.701 7.923 -5.902 381 1HE MET 51 1HE MET 51 0.931 5.837 -8.215 382 2HE MET 51 2HE MET 51 2.707 5.800 -8.330 383 3HE MET 51 3HE MET 51 1.815 4.335 -7.856 384 H ILE 52 H ILE 52 -0.403 7.852 -1.856 385 HA ILE 52 HA ILE 52 -2.071 6.037 -0.521 386 HB ILE 52 HB ILE 52 -0.305 8.303 0.380 387 1HG1 ILE 52 1HG1 ILE 52 -0.038 5.315 0.160 388 2HG1 ILE 52 2HG1 ILE 52 1.030 6.570 -0.436 389 1HG2 ILE 52 1HG2 ILE 52 -2.417 7.086 1.874 390 2HG2 ILE 52 2HG2 ILE 52 -0.858 6.555 2.548 391 3HG2 ILE 52 3HG2 ILE 52 -1.218 8.292 2.398 392 1HD1 ILE 52 2HD1 ILE 52 1.083 7.122 2.256 393 2HD1 ILE 52 3HD1 ILE 52 0.862 5.356 2.276 394 3HD1 ILE 52 1HD1 ILE 52 2.258 6.068 1.432 395 H ASN 53 H ASN 53 -2.386 9.471 -1.404 396 HA ASN 53 HA ASN 53 -4.631 9.811 0.318 397 1HB ASN 53 1HB ASN 53 -3.197 11.504 -1.756 398 2HB ASN 53 2HB ASN 53 -4.786 12.003 -1.209 399 1HD2 ASN 53 2HD2 ASN 53 -1.775 13.285 0.856 400 2HD2 ASN 53 1HD2 ASN 53 -1.951 13.007 -0.845 401 H GLU 54 H GLU 54 -4.003 8.369 -2.724 402 HA GLU 54 HA GLU 54 -6.428 9.172 -3.987 403 1HB GLU 54 1HB GLU 54 -4.197 7.234 -4.665 404 2HB GLU 54 2HB GLU 54 -5.675 7.243 -5.607 405 1HG GLU 54 1HG GLU 54 -4.972 9.977 -5.359 406 2HG GLU 54 2HG GLU 54 -3.450 9.154 -5.636 407 H VAL 55 H VAL 55 -5.525 6.901 -1.573 408 HA VAL 55 HA VAL 55 -7.992 5.388 -2.087 409 HB VAL 55 HB VAL 55 -6.509 3.692 -0.593 410 1HG1 VAL 55 3HG1 VAL 55 -7.557 3.792 -3.178 411 2HG1 VAL 55 1HG1 VAL 55 -5.849 3.348 -3.411 412 3HG1 VAL 55 2HG1 VAL 55 -6.888 2.364 -2.353 413 1HG2 VAL 55 2HG2 VAL 55 -4.546 5.233 -0.693 414 2HG2 VAL 55 3HG2 VAL 55 -4.225 3.622 -1.379 415 3HG2 VAL 55 1HG2 VAL 55 -4.508 5.008 -2.459 416 H ASP 56 H ASP 56 -5.675 6.756 0.312 417 HA ASP 56 HA ASP 56 -7.362 6.168 2.487 418 1HB ASP 56 1HB ASP 56 -4.933 6.482 2.765 419 2HB ASP 56 2HB ASP 56 -5.038 8.118 2.148 420 H ALA 57 H ALA 57 -9.322 7.237 2.797 421 HA ALA 57 HA ALA 57 -9.565 9.954 1.746 422 1HB ALA 57 1HB ALA 57 -11.197 7.708 1.583 423 2HB ALA 57 2HB ALA 57 -11.964 8.677 2.864 424 3HB ALA 57 3HB ALA 57 -11.695 9.385 1.254 425 H ASP 58 H ASP 58 -8.766 8.300 4.594 426 HA ASP 58 HA ASP 58 -10.215 9.962 6.378 427 1HB ASP 58 1HB ASP 58 -9.506 8.452 7.928 428 2HB ASP 58 2HB ASP 58 -8.891 7.533 6.568 429 H GLY 59 H GLY 59 -6.947 9.780 4.896 430 1HA GLY 59 1HA GLY 59 -5.412 11.428 4.608 431 2HA GLY 59 2HA GLY 59 -6.433 12.545 5.492 432 H ASN 60 H ASN 60 -5.433 9.336 6.746 433 HA ASN 60 HA ASN 60 -4.448 10.572 9.082 434 1HB ASN 60 1HB ASN 60 -3.932 8.243 9.792 435 2HB ASN 60 2HB ASN 60 -5.542 8.328 9.104 436 1HD2 ASN 60 2HD2 ASN 60 -3.595 5.389 7.766 437 2HD2 ASN 60 1HD2 ASN 60 -3.929 6.013 9.347 438 H GLY 61 H GLY 61 -3.167 9.590 5.967 439 1HA GLY 61 1HA GLY 61 -1.033 10.466 5.321 440 2HA GLY 61 2HA GLY 61 -0.421 10.112 6.925 441 H THR 62 H THR 62 -1.639 7.474 7.246 442 HA THR 62 HA THR 62 0.083 6.004 5.376 443 HB THR 62 HB THR 62 -0.246 4.215 7.246 444 HG1 THR 62 HG1 THR 62 -1.847 4.992 8.582 445 1HG2 THR 62 3HG2 THR 62 1.356 6.699 7.299 446 2HG2 THR 62 1HG2 THR 62 0.979 6.100 8.932 447 3HG2 THR 62 2HG2 THR 62 1.826 5.049 7.772 448 H ILE 63 H ILE 63 -0.836 3.557 5.211 449 HA ILE 63 HA ILE 63 -3.624 3.880 4.340 450 HB ILE 63 HB ILE 63 -1.352 2.404 3.012 451 1HG1 ILE 63 1HG1 ILE 63 -2.038 5.039 2.791 452 2HG1 ILE 63 2HG1 ILE 63 -1.209 4.104 1.563 453 1HG2 ILE 63 1HG2 ILE 63 -4.328 2.266 2.544 454 2HG2 ILE 63 2HG2 ILE 63 -3.151 1.909 1.258 455 3HG2 ILE 63 3HG2 ILE 63 -3.160 0.939 2.750 456 1HD1 ILE 63 3HD1 ILE 63 -4.239 4.092 1.685 457 2HD1 ILE 63 1HD1 ILE 63 -3.369 5.425 0.890 458 3HD1 ILE 63 2HD1 ILE 63 -3.177 3.758 0.296 459 H ASP 64 H ASP 64 -5.050 2.146 4.747 460 HA ASP 64 HA ASP 64 -3.954 0.269 6.683 461 1HB ASP 64 1HB ASP 64 -6.858 1.078 6.181 462 2HB ASP 64 2HB ASP 64 -6.308 0.010 7.457 463 H PHE 65 H PHE 65 -5.982 -1.696 6.625 464 HA PHE 65 HA PHE 65 -5.381 -3.010 4.163 465 1HB PHE 65 1HB PHE 65 -5.510 -4.260 6.275 466 2HB PHE 65 2HB PHE 65 -7.061 -3.548 6.672 467 HD1 PHE 65 HD2 PHE 65 -5.566 -5.569 3.902 468 HD2 PHE 65 HD1 PHE 65 -8.899 -4.909 6.444 469 HE1 PHE 65 HE2 PHE 65 -6.733 -7.544 2.884 470 HE2 PHE 65 HE1 PHE 65 -10.067 -6.883 5.425 471 HZ PHE 65 HZ PHE 65 -8.970 -8.177 3.657 472 HA PRO 66 HA PRO 66 -10.035 -2.246 3.614 473 1HB PRO 66 1HB PRO 66 -11.265 -0.338 5.137 474 2HB PRO 66 2HB PRO 66 -11.303 -2.046 5.526 475 1HG PRO 66 1HG PRO 66 -9.730 0.110 6.797 476 2HG PRO 66 2HG PRO 66 -10.110 -1.484 7.419 477 1HD PRO 66 1HD PRO 66 -7.607 -0.625 6.313 478 2HD PRO 66 2HD PRO 66 -8.023 -2.247 6.827 479 H GLU 67 H GLU 67 -7.807 0.276 4.172 480 HA GLU 67 HA GLU 67 -9.176 2.019 2.356 481 1HB GLU 67 1HB GLU 67 -6.374 2.385 3.483 482 2HB GLU 67 2HB GLU 67 -7.459 3.626 2.887 483 1HG GLU 67 1HG GLU 67 -8.553 1.945 5.103 484 2HG GLU 67 2HG GLU 67 -7.191 2.958 5.541 485 H PHE 68 H PHE 68 -6.646 -0.435 2.321 486 HA PHE 68 HA PHE 68 -5.611 0.458 -0.222 487 1HB PHE 68 1HB PHE 68 -3.915 -0.543 1.074 488 2HB PHE 68 2HB PHE 68 -5.051 -1.551 1.947 489 HD1 PHE 68 HD1 PHE 68 -5.932 -3.635 0.829 490 HD2 PHE 68 HD2 PHE 68 -2.704 -1.392 -0.768 491 HE1 PHE 68 HE1 PHE 68 -5.247 -5.610 -0.560 492 HE2 PHE 68 HE2 PHE 68 -2.018 -3.367 -2.157 493 HZ PHE 68 HZ PHE 68 -3.298 -5.452 -2.037 494 H LEU 69 H LEU 69 -7.916 -1.902 1.102 495 HA LEU 69 HA LEU 69 -8.034 -3.777 -0.851 496 1HB LEU 69 1HB LEU 69 -10.099 -2.510 0.910 497 2HB LEU 69 2HB LEU 69 -10.590 -3.680 -0.298 498 HG LEU 69 HG LEU 69 -8.372 -4.393 1.592 499 1HD1 LEU 69 3HD1 LEU 69 -11.001 -3.623 2.451 500 2HD1 LEU 69 1HD1 LEU 69 -10.775 -5.369 2.716 501 3HD1 LEU 69 2HD1 LEU 69 -9.621 -4.206 3.413 502 1HD2 LEU 69 3HD2 LEU 69 -9.056 -5.823 -0.374 503 2HD2 LEU 69 1HD2 LEU 69 -9.070 -6.627 1.214 504 3HD2 LEU 69 2HD2 LEU 69 -10.599 -6.102 0.469 505 H THR 70 H THR 70 -9.844 -0.624 -0.825 506 HA THR 70 HA THR 70 -11.146 -0.781 -3.178 507 HB THR 70 HB THR 70 -11.150 1.126 -1.523 508 HG1 THR 70 HG1 THR 70 -11.949 1.365 -3.744 509 1HG2 THR 70 1HG2 THR 70 -8.530 1.292 -1.524 510 2HG2 THR 70 2HG2 THR 70 -8.734 2.163 -3.063 511 3HG2 THR 70 3HG2 THR 70 -9.452 2.813 -1.570 512 H MET 71 H MET 71 -7.664 0.137 -2.811 513 HA MET 71 HA MET 71 -7.151 0.684 -5.408 514 1HB MET 71 1HB MET 71 -5.694 0.113 -3.003 515 2HB MET 71 2HB MET 71 -4.988 -0.916 -4.233 516 1HG MET 71 1HG MET 71 -5.439 1.725 -5.363 517 2HG MET 71 2HG MET 71 -4.572 1.895 -3.849 518 1HE MET 71 2HE MET 71 -2.787 2.759 -4.482 519 2HE MET 71 3HE MET 71 -1.378 1.671 -4.505 520 3HE MET 71 1HE MET 71 -1.900 2.482 -6.001 521 H MET 72 H MET 72 -7.417 -2.526 -3.816 522 HA MET 72 HA MET 72 -6.445 -3.944 -6.038 523 1HB MET 72 1HB MET 72 -8.246 -4.803 -3.704 524 2HB MET 72 2HB MET 72 -7.426 -5.917 -4.781 525 1HG MET 72 1HG MET 72 -5.523 -3.967 -3.715 526 2HG MET 72 2HG MET 72 -6.386 -4.746 -2.404 527 1HE MET 72 3HE MET 72 -4.685 -5.208 -5.734 528 2HE MET 72 1HE MET 72 -3.262 -5.197 -4.665 529 3HE MET 72 2HE MET 72 -3.697 -6.677 -5.553 530 H ALA 73 H ALA 73 -9.650 -2.767 -5.006 531 HA ALA 73 HA ALA 73 -11.083 -4.376 -6.879 532 1HB ALA 73 3HB ALA 73 -11.777 -3.163 -4.601 533 2HB ALA 73 1HB ALA 73 -12.194 -1.842 -5.718 534 3HB ALA 73 2HB ALA 73 -12.956 -3.439 -5.906 535 H ARG 74 H ARG 74 -9.709 -1.058 -6.757 536 HA ARG 74 HA ARG 74 -10.835 -0.502 -9.333 537 1HB ARG 74 1HB ARG 74 -9.569 1.718 -9.006 538 2HB ARG 74 2HB ARG 74 -10.818 1.374 -7.826 539 1HG ARG 74 1HG ARG 74 -9.317 1.320 -6.118 540 2HG ARG 74 2HG ARG 74 -8.272 0.208 -6.978 541 1HD ARG 74 1HD ARG 74 -7.035 2.279 -6.581 542 2HD ARG 74 2HD ARG 74 -7.339 2.140 -8.302 543 HE ARG 74 HE ARG 74 -8.639 4.073 -8.183 544 1HH1 ARG 74 2HH2 ARG 74 -8.434 2.657 -4.968 545 2HH1 ARG 74 1HH2 ARG 74 -9.273 3.964 -4.200 546 1HH2 ARG 74 2HH1 ARG 74 -9.746 5.797 -7.170 547 2HH2 ARG 74 1HH1 ARG 74 -10.024 5.761 -5.461 548 H LYS 75 H LYS 75 -9.030 -2.741 -9.293 549 HA LYS 75 HA LYS 75 -6.558 -1.665 -10.413 550 1HB LYS 75 1HB LYS 75 -7.335 -4.135 -8.996 551 2HB LYS 75 2HB LYS 75 -6.261 -4.389 -10.356 552 1HG LYS 75 1HG LYS 75 -5.381 -2.060 -8.839 553 2HG LYS 75 2HG LYS 75 -5.577 -3.425 -7.757 554 1HD LYS 75 1HD LYS 75 -3.344 -3.642 -8.535 555 2HD LYS 75 2HD LYS 75 -4.234 -4.804 -9.499 556 1HE LYS 75 1HE LYS 75 -2.946 -3.670 -11.123 557 2HE LYS 75 2HE LYS 75 -4.497 -2.865 -11.241 558 1HZ LYS 75 2HZ LYS 75 -3.258 -1.465 -9.330 559 2HZ LYS 75 3HZ LYS 75 -2.007 -1.843 -10.309 560 3HZ LYS 75 1HZ LYS 75 -3.301 -1.045 -10.907 No H/Q in entry = 560 Start of MODEL 18 1 H MET 0 H MET 0 -22.811 -29.683 -3.483 2 HA MET 0 HA MET 0 -21.599 -27.945 -4.393 3 1HB MET 0 1HB MET 0 -23.319 -29.070 -5.922 4 2HB MET 0 2HB MET 0 -24.423 -27.752 -5.580 5 1HG MET 0 1HG MET 0 -22.161 -26.350 -6.330 6 2HG MET 0 2HG MET 0 -21.997 -27.788 -7.316 7 1HE MET 0 2HE MET 0 -23.211 -24.496 -6.959 8 2HE MET 0 3HE MET 0 -24.667 -24.285 -7.961 9 3HE MET 0 1HE MET 0 -24.806 -24.966 -6.323 10 H ALA 1 H ALA 1 -20.960 -25.857 -4.033 11 HA ALA 1 HA ALA 1 -22.462 -23.618 -4.160 12 1HB ALA 1 3HB ALA 1 -23.006 -25.104 -1.687 13 2HB ALA 1 1HB ALA 1 -22.446 -23.442 -1.380 14 3HB ALA 1 2HB ALA 1 -23.875 -23.725 -2.403 15 H ASP 2 H ASP 2 -21.362 -21.728 -2.822 16 HA ASP 2 HA ASP 2 -18.589 -22.447 -2.346 17 1HB ASP 2 1HB ASP 2 -19.328 -21.240 -4.681 18 2HB ASP 2 2HB ASP 2 -19.152 -19.815 -3.677 19 H GLN 3 H GLN 3 -17.753 -19.670 -1.924 20 HA GLN 3 HA GLN 3 -19.630 -18.492 -0.137 21 1HB GLN 3 1HB GLN 3 -18.372 -20.385 1.154 22 2HB GLN 3 2HB GLN 3 -16.981 -19.320 1.092 23 1HG GLN 3 1HG GLN 3 -17.967 -18.694 3.131 24 2HG GLN 3 2HG GLN 3 -18.620 -17.490 2.039 25 1HE2 GLN 3 2HE2 GLN 3 -21.754 -18.240 3.372 26 2HE2 GLN 3 1HE2 GLN 3 -20.441 -17.119 3.226 27 H LEU 4 H LEU 4 -19.442 -16.326 -0.500 28 HA LEU 4 HA LEU 4 -16.808 -15.367 -1.373 29 1HB LEU 4 1HB LEU 4 -18.009 -13.588 -2.528 30 2HB LEU 4 2HB LEU 4 -18.443 -15.182 -3.111 31 HG LEU 4 HG LEU 4 -20.295 -14.436 -1.048 32 1HD1 LEU 4 3HD1 LEU 4 -19.379 -12.119 -1.922 33 2HD1 LEU 4 1HD1 LEU 4 -20.486 -12.451 -3.276 34 3HD1 LEU 4 2HD1 LEU 4 -21.113 -12.375 -1.612 35 1HD2 LEU 4 2HD2 LEU 4 -20.588 -14.830 -4.038 36 2HD2 LEU 4 3HD2 LEU 4 -20.777 -16.062 -2.767 37 3HD2 LEU 4 1HD2 LEU 4 -21.935 -14.715 -2.881 38 H THR 5 H THR 5 -17.722 -12.548 -1.026 39 HA THR 5 HA THR 5 -17.722 -10.953 0.524 40 HB THR 5 HB THR 5 -19.211 -11.233 2.307 41 HG1 THR 5 HG1 THR 5 -18.713 -12.843 3.770 42 1HG2 THR 5 2HG2 THR 5 -19.991 -12.689 0.131 43 2HG2 THR 5 3HG2 THR 5 -19.853 -14.000 1.327 44 3HG2 THR 5 1HG2 THR 5 -20.946 -12.629 1.632 45 H GLU 6 H GLU 6 -17.155 -11.334 3.434 46 HA GLU 6 HA GLU 6 -14.622 -10.733 3.567 47 1HB GLU 6 1HB GLU 6 -16.085 -12.632 5.450 48 2HB GLU 6 2HB GLU 6 -14.554 -11.874 5.840 49 1HG GLU 6 1HG GLU 6 -15.654 -9.610 5.407 50 2HG GLU 6 2HG GLU 6 -17.184 -10.447 5.234 51 H GLU 7 H GLU 7 -15.814 -14.158 3.467 52 HA GLU 7 HA GLU 7 -13.605 -15.549 3.792 53 1HB GLU 7 1HB GLU 7 -15.664 -15.953 1.579 54 2HB GLU 7 2HB GLU 7 -14.506 -17.174 2.069 55 1HG GLU 7 1HG GLU 7 -15.962 -16.016 4.366 56 2HG GLU 7 2HG GLU 7 -17.037 -16.761 3.199 57 H GLN 8 H GLN 8 -14.446 -13.693 0.818 58 HA GLN 8 HA GLN 8 -12.161 -14.594 -0.571 59 1HB GLN 8 1HB GLN 8 -14.534 -13.208 -1.198 60 2HB GLN 8 2HB GLN 8 -13.263 -12.044 -1.517 61 1HG GLN 8 1HG GLN 8 -12.507 -13.196 -3.339 62 2HG GLN 8 2HG GLN 8 -12.565 -14.735 -2.503 63 1HE2 GLN 8 2HE2 GLN 8 -15.302 -15.827 -4.289 64 2HE2 GLN 8 1HE2 GLN 8 -13.778 -16.121 -3.521 65 H ILE 9 H ILE 9 -13.075 -11.523 1.129 66 HA ILE 9 HA ILE 9 -10.758 -10.121 0.601 67 HB ILE 9 HB ILE 9 -13.084 -9.635 1.880 68 1HG1 ILE 9 1HG1 ILE 9 -11.695 -7.477 2.679 69 2HG1 ILE 9 2HG1 ILE 9 -10.511 -8.160 1.583 70 1HG2 ILE 9 3HG2 ILE 9 -10.972 -9.822 4.043 71 2HG2 ILE 9 1HG2 ILE 9 -12.528 -8.974 4.213 72 3HG2 ILE 9 2HG2 ILE 9 -12.498 -10.733 3.936 73 1HD1 ILE 9 3HD1 ILE 9 -13.047 -8.362 0.267 74 2HD1 ILE 9 1HD1 ILE 9 -12.931 -6.719 0.942 75 3HD1 ILE 9 2HD1 ILE 9 -11.672 -7.318 -0.165 76 H ALA 10 H ALA 10 -11.523 -12.436 3.270 77 HA ALA 10 HA ALA 10 -9.423 -12.208 4.888 78 1HB ALA 10 3HB ALA 10 -11.374 -14.053 4.502 79 2HB ALA 10 1HB ALA 10 -9.960 -14.992 3.966 80 3HB ALA 10 2HB ALA 10 -10.000 -14.302 5.606 81 H GLU 11 H GLU 11 -9.376 -13.539 1.555 82 HA GLU 11 HA GLU 11 -6.724 -14.447 1.749 83 1HB GLU 11 1HB GLU 11 -8.342 -13.742 -0.739 84 2HB GLU 11 2HB GLU 11 -6.889 -14.721 -0.706 85 1HG GLU 11 1HG GLU 11 -7.985 -16.467 0.581 86 2HG GLU 11 2HG GLU 11 -9.374 -15.448 0.904 87 H PHE 12 H PHE 12 -8.272 -11.507 0.288 88 HA PHE 12 HA PHE 12 -6.104 -10.315 -0.800 89 1HB PHE 12 1HB PHE 12 -8.541 -9.353 0.773 90 2HB PHE 12 2HB PHE 12 -7.405 -8.167 0.162 91 HD1 PHE 12 HD2 PHE 12 -9.686 -10.893 -0.880 92 HD2 PHE 12 HD1 PHE 12 -7.459 -7.491 -2.095 93 HE1 PHE 12 HE2 PHE 12 -10.841 -10.932 -3.108 94 HE2 PHE 12 HE1 PHE 12 -8.615 -7.530 -4.323 95 HZ PHE 12 HZ PHE 12 -10.292 -9.250 -4.803 96 H LYS 13 H LYS 13 -6.892 -10.673 2.656 97 HA LYS 13 HA LYS 13 -5.497 -8.739 3.864 98 1HB LYS 13 1HB LYS 13 -5.730 -11.676 4.531 99 2HB LYS 13 2HB LYS 13 -4.908 -10.552 5.594 100 1HG LYS 13 1HG LYS 13 -7.148 -9.105 5.229 101 2HG LYS 13 2HG LYS 13 -7.831 -10.675 4.853 102 1HD LYS 13 1HD LYS 13 -6.224 -11.013 7.209 103 2HD LYS 13 2HD LYS 13 -7.176 -9.561 7.450 104 1HE LYS 13 1HE LYS 13 -8.700 -11.156 8.196 105 2HE LYS 13 2HE LYS 13 -9.168 -11.072 6.510 106 1HZ LYS 13 1HZ LYS 13 -7.465 -12.911 6.210 107 2HZ LYS 13 2HZ LYS 13 -7.547 -13.109 7.829 108 3HZ LYS 13 3HZ LYS 13 -8.885 -13.303 6.914 109 H GLU 14 H GLU 14 -4.004 -11.871 2.771 110 HA GLU 14 HA GLU 14 -1.444 -11.236 3.392 111 1HB GLU 14 1HB GLU 14 -2.500 -12.872 1.045 112 2HB GLU 14 2HB GLU 14 -0.822 -12.870 1.552 113 1HG GLU 14 1HG GLU 14 -1.966 -13.388 3.959 114 2HG GLU 14 2HG GLU 14 -3.225 -14.041 2.929 115 H ALA 15 H ALA 15 -3.334 -10.375 0.449 116 HA ALA 15 HA ALA 15 -1.349 -9.408 -1.152 117 1HB ALA 15 2HB ALA 15 -4.046 -9.544 -1.268 118 2HB ALA 15 3HB ALA 15 -3.858 -7.802 -0.956 119 3HB ALA 15 1HB ALA 15 -3.080 -8.541 -2.376 120 H PHE 16 H PHE 16 -3.229 -7.551 1.348 121 HA PHE 16 HA PHE 16 -1.935 -5.163 1.080 122 1HB PHE 16 1HB PHE 16 -3.949 -5.836 2.533 123 2HB PHE 16 2HB PHE 16 -2.835 -6.603 3.647 124 HD1 PHE 16 HD2 PHE 16 -3.835 -3.342 2.218 125 HD2 PHE 16 HD1 PHE 16 -1.685 -5.338 5.284 126 HE1 PHE 16 HE2 PHE 16 -3.566 -1.169 3.445 127 HE2 PHE 16 HE1 PHE 16 -1.416 -3.165 6.511 128 HZ PHE 16 HZ PHE 16 -2.360 -1.106 5.576 129 H SER 17 H SER 17 -0.856 -8.143 2.735 130 HA SER 17 HA SER 17 1.118 -7.057 4.289 131 1HB SER 17 1HB SER 17 1.496 -9.708 2.873 132 2HB SER 17 2HB SER 17 1.950 -9.269 4.508 133 HG SER 17 HG SER 17 -0.138 -9.496 5.213 134 H LEU 18 H LEU 18 1.291 -8.337 0.891 135 HA LEU 18 HA LEU 18 3.888 -8.116 0.326 136 1HB LEU 18 1HB LEU 18 1.400 -7.945 -1.140 137 2HB LEU 18 2HB LEU 18 2.627 -6.936 -1.879 138 HG LEU 18 HG LEU 18 4.054 -9.221 -1.472 139 1HD1 LEU 18 2HD1 LEU 18 1.443 -10.034 -0.933 140 2HD1 LEU 18 3HD1 LEU 18 1.747 -10.578 -2.600 141 3HD1 LEU 18 1HD1 LEU 18 2.842 -11.076 -1.287 142 1HD2 LEU 18 1HD2 LEU 18 3.687 -7.764 -3.548 143 2HD2 LEU 18 2HD2 LEU 18 4.011 -9.497 -3.797 144 3HD2 LEU 18 3HD2 LEU 18 2.350 -8.873 -3.936 145 H PHE 19 H PHE 19 1.555 -5.334 0.203 146 HA PHE 19 HA PHE 19 3.630 -3.467 -0.277 147 1HB PHE 19 1HB PHE 19 0.704 -3.402 0.641 148 2HB PHE 19 2HB PHE 19 1.615 -1.915 0.466 149 HD1 PHE 19 HD1 PHE 19 2.633 -1.413 -1.832 150 HD2 PHE 19 HD2 PHE 19 -0.336 -4.381 -1.214 151 HE1 PHE 19 HE1 PHE 19 2.063 -1.351 -4.275 152 HE2 PHE 19 HE2 PHE 19 -0.907 -4.319 -3.657 153 HZ PHE 19 HZ PHE 19 0.300 -2.805 -5.159 154 H ASP 20 H ASP 20 1.718 -4.458 2.634 155 HA ASP 20 HA ASP 20 3.147 -2.596 4.247 156 1HB ASP 20 1HB ASP 20 0.845 -3.070 4.836 157 2HB ASP 20 2HB ASP 20 1.123 -4.800 4.814 158 H LYS 21 H LYS 21 5.369 -3.221 4.331 159 HA LYS 21 HA LYS 21 6.172 -5.919 4.520 160 1HB LYS 21 1HB LYS 21 7.467 -3.901 3.613 161 2HB LYS 21 2HB LYS 21 7.819 -3.502 5.282 162 1HG LYS 21 1HG LYS 21 8.417 -6.219 5.208 163 2HG LYS 21 2HG LYS 21 8.892 -5.703 3.601 164 1HD LYS 21 1HD LYS 21 10.363 -3.968 4.522 165 2HD LYS 21 2HD LYS 21 9.777 -4.267 6.146 166 1HE LYS 21 1HE LYS 21 10.600 -6.770 5.626 167 2HE LYS 21 2HE LYS 21 11.615 -5.961 4.449 168 1HZ LYS 21 3HZ LYS 21 11.694 -4.572 6.875 169 2HZ LYS 21 1HZ LYS 21 12.034 -6.146 7.151 170 3HZ LYS 21 2HZ LYS 21 12.919 -5.296 6.072 171 H ASP 22 H ASP 22 6.283 -3.217 6.955 172 HA ASP 22 HA ASP 22 7.082 -4.667 9.067 173 1HB ASP 22 1HB ASP 22 5.503 -3.019 10.399 174 2HB ASP 22 2HB ASP 22 6.865 -2.380 9.501 175 H GLY 23 H GLY 23 4.026 -4.784 7.334 176 1HA GLY 23 1HA GLY 23 2.158 -6.006 7.581 177 2HA GLY 23 2HA GLY 23 3.110 -7.109 8.554 178 H ASP 24 H ASP 24 3.077 -3.815 9.706 179 HA ASP 24 HA ASP 24 1.997 -4.531 12.129 180 1HB ASP 24 1HB ASP 24 1.851 -2.086 12.548 181 2HB ASP 24 2HB ASP 24 3.378 -2.520 11.807 182 H GLY 25 H GLY 25 0.553 -3.535 9.048 183 1HA GLY 25 1HA GLY 25 -1.781 -4.280 8.798 184 2HA GLY 25 2HA GLY 25 -2.120 -3.476 10.319 185 H THR 26 H THR 26 0.284 -1.761 8.565 186 HA THR 26 HA THR 26 -1.694 -0.141 7.141 187 HB THR 26 HB THR 26 -0.372 1.882 8.179 188 HG1 THR 26 HG1 THR 26 1.160 1.099 9.568 189 1HG2 THR 26 3HG2 THR 26 -2.733 0.668 8.976 190 2HG2 THR 26 1HG2 THR 26 -1.748 0.526 10.452 191 3HG2 THR 26 2HG2 THR 26 -2.057 2.128 9.739 192 H ILE 27 H ILE 27 -0.813 1.158 5.428 193 HA ILE 27 HA ILE 27 1.881 0.272 4.660 194 HB ILE 27 HB ILE 27 -0.569 0.596 2.927 195 1HG1 ILE 27 1HG1 ILE 27 1.128 -1.866 3.410 196 2HG1 ILE 27 2HG1 ILE 27 -0.331 -1.508 4.313 197 1HG2 ILE 27 2HG2 ILE 27 1.688 1.436 1.989 198 2HG2 ILE 27 3HG2 ILE 27 2.131 -0.287 1.932 199 3HG2 ILE 27 1HG2 ILE 27 0.722 0.300 1.016 200 1HD1 ILE 27 1HD1 ILE 27 -0.181 -1.767 1.274 201 2HD1 ILE 27 2HD1 ILE 27 -0.790 -3.016 2.386 202 3HD1 ILE 27 3HD1 ILE 27 -1.657 -1.470 2.222 203 H THR 28 H THR 28 3.155 2.016 5.072 204 HA THR 28 HA THR 28 2.107 4.678 4.786 205 HB THR 28 HB THR 28 3.705 3.999 6.593 206 HG1 THR 28 HG1 THR 28 3.910 6.182 6.034 207 1HG2 THR 28 2HG2 THR 28 5.413 3.341 4.174 208 2HG2 THR 28 3HG2 THR 28 6.196 3.986 5.636 209 3HG2 THR 28 1HG2 THR 28 5.276 2.465 5.717 210 H THR 29 H THR 29 4.688 5.784 3.789 211 HA THR 29 HA THR 29 3.988 5.630 0.991 212 HB THR 29 HB THR 29 5.999 7.375 1.031 213 HG1 THR 29 HG1 THR 29 6.807 7.129 3.111 214 1HG2 THR 29 1HG2 THR 29 3.370 7.823 1.091 215 2HG2 THR 29 2HG2 THR 29 3.677 8.189 2.805 216 3HG2 THR 29 3HG2 THR 29 4.495 9.129 1.534 217 H LYS 30 H LYS 30 6.997 5.075 2.944 218 HA LYS 30 HA LYS 30 8.520 4.109 0.868 219 1HB LYS 30 1HB LYS 30 9.038 4.676 3.396 220 2HB LYS 30 2HB LYS 30 8.791 2.957 3.625 221 1HG LYS 30 1HG LYS 30 10.603 2.367 2.218 222 2HG LYS 30 2HG LYS 30 10.576 3.899 1.367 223 1HD LYS 30 1HD LYS 30 11.511 5.077 3.283 224 2HD LYS 30 2HD LYS 30 11.301 3.681 4.322 225 1HE LYS 30 1HE LYS 30 13.137 2.555 3.429 226 2HE LYS 30 2HE LYS 30 12.949 3.272 1.842 227 1HZ LYS 30 1HZ LYS 30 13.632 5.403 2.955 228 2HZ LYS 30 2HZ LYS 30 14.102 4.502 4.234 229 3HZ LYS 30 3HZ LYS 30 14.801 4.277 2.775 230 H GLU 31 H GLU 31 6.638 2.151 3.290 231 HA GLU 31 HA GLU 31 7.078 -0.269 2.169 232 1HB GLU 31 1HB GLU 31 4.532 0.744 3.510 233 2HB GLU 31 2HB GLU 31 4.902 -0.948 3.243 234 1HG GLU 31 1HG GLU 31 6.764 -0.906 4.747 235 2HG GLU 31 2HG GLU 31 6.864 0.843 4.718 236 H LEU 32 H LEU 32 5.177 2.389 0.915 237 HA LEU 32 HA LEU 32 3.689 0.671 -0.883 238 1HB LEU 32 1HB LEU 32 2.749 2.696 0.310 239 2HB LEU 32 2HB LEU 32 3.729 3.684 -0.755 240 HG LEU 32 HG LEU 32 2.351 1.967 -2.484 241 1HD1 LEU 32 1HD1 LEU 32 0.679 2.683 -0.100 242 2HD1 LEU 32 2HD1 LEU 32 -0.061 2.628 -1.718 243 3HD1 LEU 32 3HD1 LEU 32 0.729 1.179 -1.052 244 1HD2 LEU 32 3HD2 LEU 32 2.494 4.818 -1.852 245 2HD2 LEU 32 1HD2 LEU 32 2.423 3.988 -3.425 246 3HD2 LEU 32 2HD2 LEU 32 0.923 4.327 -2.529 247 H GLY 33 H GLY 33 6.527 2.822 -0.810 248 1HA GLY 33 1HA GLY 33 6.821 2.742 -3.701 249 2HA GLY 33 2HA GLY 33 7.841 3.568 -2.541 250 H THR 34 H THR 34 7.402 0.579 -1.160 251 HA THR 34 HA THR 34 10.004 -0.305 -2.049 252 HB THR 34 HB THR 34 8.084 -0.799 0.188 253 HG1 THR 34 HG1 THR 34 10.984 -1.011 -0.216 254 1HG2 THR 34 1HG2 THR 34 9.874 -2.964 -0.999 255 2HG2 THR 34 2HG2 THR 34 9.549 -2.895 0.749 256 3HG2 THR 34 3HG2 THR 34 8.206 -3.123 -0.397 257 H VAL 35 H VAL 35 6.825 -2.031 -1.740 258 HA VAL 35 HA VAL 35 7.420 -4.193 -3.229 259 HB VAL 35 HB VAL 35 4.955 -2.611 -2.710 260 1HG1 VAL 35 1HG1 VAL 35 5.092 -4.863 -4.741 261 2HG1 VAL 35 2HG1 VAL 35 3.589 -4.245 -4.014 262 3HG1 VAL 35 3HG1 VAL 35 4.590 -3.180 -5.030 263 1HG2 VAL 35 2HG2 VAL 35 6.058 -5.323 -2.048 264 2HG2 VAL 35 3HG2 VAL 35 5.377 -4.076 -0.976 265 3HG2 VAL 35 1HG2 VAL 35 4.298 -5.061 -1.994 266 H MET 36 H MET 36 7.020 -0.863 -4.339 267 HA MET 36 HA MET 36 6.512 -1.442 -7.011 268 1HB MET 36 1HB MET 36 7.887 0.931 -5.636 269 2HB MET 36 2HB MET 36 7.417 0.947 -7.324 270 1HG MET 36 1HG MET 36 5.156 0.063 -5.717 271 2HG MET 36 2HG MET 36 5.786 1.557 -5.050 272 1HE MET 36 1HE MET 36 2.995 1.656 -5.997 273 2HE MET 36 2HE MET 36 2.652 1.976 -7.714 274 3HE MET 36 3HE MET 36 3.152 0.348 -7.195 275 H ARG 37 H ARG 37 9.581 -0.877 -5.182 276 HA ARG 37 HA ARG 37 11.193 -1.003 -7.449 277 1HB ARG 37 1HB ARG 37 11.927 -1.650 -4.549 278 2HB ARG 37 2HB ARG 37 13.062 -1.239 -5.819 279 1HG ARG 37 1HG ARG 37 12.174 1.018 -6.004 280 2HG ARG 37 2HG ARG 37 10.798 0.629 -4.991 281 1HD ARG 37 1HD ARG 37 13.224 -0.023 -3.538 282 2HD ARG 37 2HD ARG 37 13.373 1.605 -4.169 283 HE ARG 37 HE ARG 37 10.754 1.204 -3.001 284 1HH1 ARG 37 2HH2 ARG 37 14.123 1.773 -2.160 285 2HH1 ARG 37 1HH2 ARG 37 13.751 2.522 -0.643 286 1HH2 ARG 37 2HH1 ARG 37 10.263 2.193 -1.000 287 2HH2 ARG 37 1HH1 ARG 37 11.541 2.762 0.021 288 H SER 38 H SER 38 9.446 -3.406 -5.685 289 HA SER 38 HA SER 38 11.281 -5.495 -6.496 290 1HB SER 38 1HB SER 38 9.099 -5.232 -4.468 291 2HB SER 38 2HB SER 38 9.261 -6.813 -5.208 292 HG SER 38 HG SER 38 11.753 -6.157 -4.652 293 H LEU 39 H LEU 39 9.288 -3.765 -8.204 294 HA LEU 39 HA LEU 39 8.150 -6.075 -9.591 295 1HB LEU 39 1HB LEU 39 6.517 -4.733 -8.063 296 2HB LEU 39 2HB LEU 39 6.583 -3.532 -9.338 297 HG LEU 39 HG LEU 39 6.105 -6.045 -10.588 298 1HD1 LEU 39 2HD1 LEU 39 4.393 -5.569 -8.140 299 2HD1 LEU 39 3HD1 LEU 39 3.904 -6.603 -9.504 300 3HD1 LEU 39 1HD1 LEU 39 5.350 -7.013 -8.550 301 1HD2 LEU 39 3HD2 LEU 39 5.335 -3.487 -10.936 302 2HD2 LEU 39 1HD2 LEU 39 4.523 -4.876 -11.696 303 3HD2 LEU 39 2HD2 LEU 39 3.853 -4.155 -10.213 304 H GLY 40 H GLY 40 9.011 -2.564 -9.636 305 1HA GLY 40 1HA GLY 40 10.747 -2.300 -11.528 306 2HA GLY 40 2HA GLY 40 9.394 -2.751 -12.547 307 H GLN 41 H GLN 41 9.389 -0.754 -9.526 308 HA GLN 41 HA GLN 41 8.772 1.552 -11.167 309 1HB GLN 41 1HB GLN 41 6.963 0.268 -9.139 310 2HB GLN 41 2HB GLN 41 6.992 2.019 -9.197 311 1HG GLN 41 1HG GLN 41 6.143 2.106 -11.390 312 2HG GLN 41 2HG GLN 41 6.746 0.514 -11.803 313 1HE2 GLN 41 2HE2 GLN 41 3.194 1.006 -9.730 314 2HE2 GLN 41 1HE2 GLN 41 4.418 2.232 -9.765 315 H ASN 42 H ASN 42 8.438 3.532 -9.379 316 HA ASN 42 HA ASN 42 9.804 3.380 -7.016 317 1HB ASN 42 1HB ASN 42 11.822 2.925 -8.448 318 2HB ASN 42 2HB ASN 42 11.543 4.421 -9.316 319 1HD2 ASN 42 2HD2 ASN 42 14.125 4.855 -6.615 320 2HD2 ASN 42 1HD2 ASN 42 13.890 3.739 -7.919 321 HA PRO 43 HA PRO 43 7.675 7.249 -8.343 322 1HB PRO 43 1HB PRO 43 5.465 7.083 -6.744 323 2HB PRO 43 2HB PRO 43 5.485 6.540 -8.410 324 1HG PRO 43 1HG PRO 43 5.536 4.926 -5.934 325 2HG PRO 43 2HG PRO 43 5.131 4.424 -7.564 326 1HD PRO 43 1HD PRO 43 7.588 3.918 -6.173 327 2HD PRO 43 2HD PRO 43 7.226 3.519 -7.840 328 H THR 44 H THR 44 8.401 9.131 -7.583 329 HA THR 44 HA THR 44 9.844 9.260 -5.259 330 HB THR 44 HB THR 44 9.385 11.776 -5.527 331 HG1 THR 44 HG1 THR 44 7.581 12.183 -6.743 332 1HG2 THR 44 2HG2 THR 44 10.260 9.972 -7.794 333 2HG2 THR 44 3HG2 THR 44 9.993 11.697 -8.143 334 3HG2 THR 44 1HG2 THR 44 11.194 11.211 -6.922 335 H GLU 45 H GLU 45 9.447 10.344 -3.192 336 HA GLU 45 HA GLU 45 7.355 9.185 -1.874 337 1HB GLU 45 1HB GLU 45 9.454 11.149 -1.293 338 2HB GLU 45 2HB GLU 45 7.993 11.498 -0.391 339 1HG GLU 45 1HG GLU 45 7.940 9.075 0.362 340 2HG GLU 45 2HG GLU 45 9.474 8.827 -0.447 341 H ALA 46 H ALA 46 7.479 12.151 -3.782 342 HA ALA 46 HA ALA 46 5.186 13.368 -2.649 343 1HB ALA 46 2HB ALA 46 7.212 14.145 -4.312 344 2HB ALA 46 3HB ALA 46 5.883 13.936 -5.478 345 3HB ALA 46 1HB ALA 46 5.692 15.046 -4.100 346 H GLU 47 H GLU 47 5.803 11.191 -5.464 347 HA GLU 47 HA GLU 47 3.243 11.291 -6.480 348 1HB GLU 47 1HB GLU 47 5.110 10.358 -7.747 349 2HB GLU 47 2HB GLU 47 5.343 9.084 -6.565 350 1HG GLU 47 1HG GLU 47 3.826 7.781 -7.628 351 2HG GLU 47 2HG GLU 47 2.585 8.995 -7.393 352 H LEU 48 H LEU 48 4.737 8.705 -4.391 353 HA LEU 48 HA LEU 48 2.584 7.146 -3.982 354 1HB LEU 48 1HB LEU 48 4.608 7.973 -1.897 355 2HB LEU 48 2HB LEU 48 3.580 6.556 -1.824 356 HG LEU 48 HG LEU 48 5.395 6.890 -4.186 357 1HD1 LEU 48 2HD1 LEU 48 6.266 6.306 -1.373 358 2HD1 LEU 48 3HD1 LEU 48 7.089 5.526 -2.745 359 3HD1 LEU 48 1HD1 LEU 48 7.045 7.302 -2.626 360 1HD2 LEU 48 2HD2 LEU 48 4.309 4.529 -2.635 361 2HD2 LEU 48 3HD2 LEU 48 3.877 5.049 -4.281 362 3HD2 LEU 48 1HD2 LEU 48 5.500 4.397 -3.950 363 H GLN 49 H GLN 49 3.440 10.020 -1.924 364 HA GLN 49 HA GLN 49 1.357 9.990 -0.261 365 1HB GLN 49 1HB GLN 49 3.352 11.744 -0.757 366 2HB GLN 49 2HB GLN 49 2.033 12.660 -1.459 367 1HG GLN 49 1HG GLN 49 1.630 13.381 0.666 368 2HG GLN 49 2HG GLN 49 0.891 11.812 0.918 369 1HE2 GLN 49 2HE2 GLN 49 3.071 10.968 3.450 370 2HE2 GLN 49 1HE2 GLN 49 1.489 10.957 2.746 371 H ASP 50 H ASP 50 1.371 11.291 -3.634 372 HA ASP 50 HA ASP 50 -1.199 12.304 -3.553 373 1HB ASP 50 1HB ASP 50 0.880 11.783 -5.524 374 2HB ASP 50 2HB ASP 50 -0.673 11.321 -6.193 375 H MET 51 H MET 51 0.176 9.055 -4.231 376 HA MET 51 HA MET 51 -2.247 7.995 -5.224 377 1HB MET 51 1HB MET 51 0.186 6.547 -4.041 378 2HB MET 51 2HB MET 51 -1.003 5.842 -5.119 379 1HG MET 51 1HG MET 51 -0.277 7.196 -6.981 380 2HG MET 51 2HG MET 51 0.634 8.276 -5.944 381 1HE MET 51 2HE MET 51 0.525 5.071 -7.953 382 2HE MET 51 3HE MET 51 1.488 6.406 -8.631 383 3HE MET 51 1HE MET 51 2.278 4.874 -8.186 384 H ILE 52 H ILE 52 -0.495 7.884 -2.061 385 HA ILE 52 HA ILE 52 -2.151 6.094 -0.772 386 HB ILE 52 HB ILE 52 -0.387 8.346 0.109 387 1HG1 ILE 52 1HG1 ILE 52 -0.263 5.379 -0.064 388 2HG1 ILE 52 2HG1 ILE 52 0.972 6.581 -0.382 389 1HG2 ILE 52 1HG2 ILE 52 -2.139 6.665 1.920 390 2HG2 ILE 52 2HG2 ILE 52 -0.762 7.653 2.464 391 3HG2 ILE 52 3HG2 ILE 52 -2.178 8.433 1.717 392 1HD1 ILE 52 1HD1 ILE 52 1.116 7.026 2.105 393 2HD1 ILE 52 2HD1 ILE 52 -0.020 5.679 2.359 394 3HD1 ILE 52 3HD1 ILE 52 1.581 5.371 1.643 395 H ASN 53 H ASN 53 -2.620 9.518 -1.606 396 HA ASN 53 HA ASN 53 -4.780 9.876 0.160 397 1HB ASN 53 1HB ASN 53 -3.457 11.387 -2.053 398 2HB ASN 53 2HB ASN 53 -5.159 11.753 -1.854 399 1HD2 ASN 53 2HD2 ASN 53 -2.502 13.523 0.478 400 2HD2 ASN 53 1HD2 ASN 53 -2.248 12.810 -1.080 401 H GLU 54 H GLU 54 -4.299 8.301 -2.912 402 HA GLU 54 HA GLU 54 -7.012 8.658 -3.767 403 1HB GLU 54 1HB GLU 54 -4.661 7.087 -4.899 404 2HB GLU 54 2HB GLU 54 -6.251 7.075 -5.635 405 1HG GLU 54 1HG GLU 54 -5.853 9.789 -5.312 406 2HG GLU 54 2HG GLU 54 -4.208 9.246 -5.573 407 H VAL 55 H VAL 55 -5.237 6.574 -1.672 408 HA VAL 55 HA VAL 55 -7.440 4.633 -1.778 409 HB VAL 55 HB VAL 55 -5.483 3.115 -0.823 410 1HG1 VAL 55 2HG1 VAL 55 -6.670 3.567 -3.443 411 2HG1 VAL 55 3HG1 VAL 55 -5.019 2.914 -3.574 412 3HG1 VAL 55 1HG1 VAL 55 -6.249 2.041 -2.628 413 1HG2 VAL 55 3HG2 VAL 55 -3.928 5.206 -1.128 414 2HG2 VAL 55 1HG2 VAL 55 -3.335 3.583 -1.554 415 3HG2 VAL 55 2HG2 VAL 55 -3.892 4.690 -2.831 416 H ASP 56 H ASP 56 -7.378 7.081 -0.248 417 HA ASP 56 HA ASP 56 -7.874 5.958 2.271 418 1HB ASP 56 1HB ASP 56 -5.346 6.174 2.330 419 2HB ASP 56 2HB ASP 56 -5.523 7.900 2.088 420 H ALA 57 H ALA 57 -9.590 7.226 3.011 421 HA ALA 57 HA ALA 57 -9.820 9.920 1.889 422 1HB ALA 57 3HB ALA 57 -11.607 7.770 2.085 423 2HB ALA 57 1HB ALA 57 -12.127 8.895 3.362 424 3HB ALA 57 2HB ALA 57 -12.013 9.454 1.676 425 H ASP 58 H ASP 58 -8.231 8.697 4.368 426 HA ASP 58 HA ASP 58 -9.383 10.539 6.308 427 1HB ASP 58 1HB ASP 58 -9.196 8.733 7.678 428 2HB ASP 58 2HB ASP 58 -8.268 7.847 6.485 429 H GLY 59 H GLY 59 -6.496 9.484 4.479 430 1HA GLY 59 1HA GLY 59 -4.437 10.355 4.220 431 2HA GLY 59 2HA GLY 59 -5.224 11.912 4.391 432 H ASN 60 H ASN 60 -4.870 9.261 6.835 433 HA ASN 60 HA ASN 60 -4.128 11.118 8.797 434 1HB ASN 60 1HB ASN 60 -3.671 9.022 10.171 435 2HB ASN 60 2HB ASN 60 -5.267 9.057 9.447 436 1HD2 ASN 60 2HD2 ASN 60 -3.644 5.711 8.955 437 2HD2 ASN 60 1HD2 ASN 60 -3.963 6.743 10.309 438 H GLY 61 H GLY 61 -2.449 9.307 6.314 439 1HA GLY 61 1HA GLY 61 -0.193 10.095 5.839 440 2HA GLY 61 2HA GLY 61 0.154 9.978 7.552 441 H THR 62 H THR 62 -1.970 7.496 6.318 442 HA THR 62 HA THR 62 0.090 5.693 5.493 443 HB THR 62 HB THR 62 -0.376 5.968 8.295 444 HG1 THR 62 HG1 THR 62 1.416 4.650 8.093 445 1HG2 THR 62 1HG2 THR 62 -1.393 3.309 7.159 446 2HG2 THR 62 2HG2 THR 62 -1.078 3.653 8.877 447 3HG2 THR 62 3HG2 THR 62 -2.397 4.495 8.029 448 H ILE 63 H ILE 63 -0.839 3.479 5.026 449 HA ILE 63 HA ILE 63 -3.646 3.841 4.240 450 HB ILE 63 HB ILE 63 -1.402 2.326 2.910 451 1HG1 ILE 63 1HG1 ILE 63 -1.844 4.949 2.719 452 2HG1 ILE 63 2HG1 ILE 63 -1.293 3.982 1.365 453 1HG2 ILE 63 3HG2 ILE 63 -4.365 2.350 2.298 454 2HG2 ILE 63 1HG2 ILE 63 -3.116 1.807 1.153 455 3HG2 ILE 63 2HG2 ILE 63 -3.340 0.951 2.698 456 1HD1 ILE 63 3HD1 ILE 63 -4.225 4.600 1.956 457 2HD1 ILE 63 1HD1 ILE 63 -3.222 5.465 0.767 458 3HD1 ILE 63 2HD1 ILE 63 -3.595 3.741 0.529 459 H ASP 64 H ASP 64 -5.137 2.224 4.728 460 HA ASP 64 HA ASP 64 -4.049 0.147 6.460 461 1HB ASP 64 1HB ASP 64 -6.838 1.393 6.418 462 2HB ASP 64 2HB ASP 64 -6.344 0.098 7.490 463 H PHE 65 H PHE 65 -6.200 -1.618 6.569 464 HA PHE 65 HA PHE 65 -6.087 -2.858 4.045 465 1HB PHE 65 1HB PHE 65 -6.377 -3.869 6.409 466 2HB PHE 65 2HB PHE 65 -8.015 -3.248 6.411 467 HD1 PHE 65 HD2 PHE 65 -6.021 -5.022 3.795 468 HD2 PHE 65 HD1 PHE 65 -9.482 -5.017 6.251 469 HE1 PHE 65 HE2 PHE 65 -6.819 -7.122 2.675 470 HE2 PHE 65 HE1 PHE 65 -10.280 -7.117 5.131 471 HZ PHE 65 HZ PHE 65 -8.938 -8.144 3.356 472 HA PRO 66 HA PRO 66 -10.558 -1.285 3.765 473 1HB PRO 66 1HB PRO 66 -11.370 0.742 5.408 474 2HB PRO 66 2HB PRO 66 -11.682 -0.948 5.746 475 1HG PRO 66 1HG PRO 66 -9.706 0.858 6.999 476 2HG PRO 66 2HG PRO 66 -10.323 -0.672 7.589 477 1HD PRO 66 1HD PRO 66 -7.764 -0.206 6.381 478 2HD PRO 66 2HD PRO 66 -8.428 -1.753 6.866 479 H GLU 67 H GLU 67 -7.767 0.486 3.926 480 HA GLU 67 HA GLU 67 -8.952 2.572 2.284 481 1HB GLU 67 1HB GLU 67 -6.104 2.643 3.296 482 2HB GLU 67 2HB GLU 67 -7.169 3.982 2.917 483 1HG GLU 67 1HG GLU 67 -8.084 2.140 5.103 484 2HG GLU 67 2HG GLU 67 -6.687 3.134 5.464 485 H PHE 68 H PHE 68 -6.575 -0.084 2.359 486 HA PHE 68 HA PHE 68 -5.555 0.602 -0.248 487 1HB PHE 68 1HB PHE 68 -3.907 -0.419 1.106 488 2HB PHE 68 2HB PHE 68 -5.089 -1.352 2.002 489 HD1 PHE 68 HD2 PHE 68 -6.077 -3.414 0.916 490 HD2 PHE 68 HD1 PHE 68 -2.716 -1.380 -0.688 491 HE1 PHE 68 HE2 PHE 68 -5.480 -5.454 -0.419 492 HE2 PHE 68 HE1 PHE 68 -2.119 -3.420 -2.023 493 HZ PHE 68 HZ PHE 68 -3.507 -5.432 -1.872 494 H LEU 69 H LEU 69 -7.874 -1.667 1.259 495 HA LEU 69 HA LEU 69 -8.184 -3.613 -0.526 496 1HB LEU 69 1HB LEU 69 -10.055 -2.056 1.163 497 2HB LEU 69 2HB LEU 69 -10.781 -3.049 -0.085 498 HG LEU 69 HG LEU 69 -8.813 -4.124 1.948 499 1HD1 LEU 69 1HD1 LEU 69 -11.679 -3.496 2.218 500 2HD1 LEU 69 2HD1 LEU 69 -11.225 -5.148 2.702 501 3HD1 LEU 69 3HD1 LEU 69 -10.428 -3.748 3.459 502 1HD2 LEU 69 2HD2 LEU 69 -10.083 -5.223 -0.402 503 2HD2 LEU 69 3HD2 LEU 69 -8.838 -5.929 0.657 504 3HD2 LEU 69 1HD2 LEU 69 -10.562 -6.128 1.054 505 H THR 70 H THR 70 -9.417 -0.237 -0.932 506 HA THR 70 HA THR 70 -10.744 -0.570 -3.317 507 HB THR 70 HB THR 70 -10.715 1.481 -1.865 508 HG1 THR 70 HG1 THR 70 -9.632 1.858 -4.567 509 1HG2 THR 70 1HG2 THR 70 -8.088 1.425 -1.659 510 2HG2 THR 70 2HG2 THR 70 -8.107 2.204 -3.259 511 3HG2 THR 70 3HG2 THR 70 -8.879 3.006 -1.870 512 H MET 71 H MET 71 -7.235 0.206 -2.848 513 HA MET 71 HA MET 71 -6.466 0.509 -5.364 514 1HB MET 71 1HB MET 71 -5.262 -0.164 -2.882 515 2HB MET 71 2HB MET 71 -4.696 -1.413 -3.974 516 1HG MET 71 1HG MET 71 -4.548 1.137 -5.348 517 2HG MET 71 2HG MET 71 -3.787 1.309 -3.779 518 1HE MET 71 2HE MET 71 -1.822 1.761 -4.290 519 2HE MET 71 3HE MET 71 -0.722 0.407 -3.937 520 3HE MET 71 1HE MET 71 -0.786 1.097 -5.576 521 H MET 72 H MET 72 -7.021 -2.686 -3.747 522 HA MET 72 HA MET 72 -6.262 -4.176 -5.985 523 1HB MET 72 1HB MET 72 -8.161 -4.892 -3.681 524 2HB MET 72 2HB MET 72 -7.367 -6.052 -4.727 525 1HG MET 72 1HG MET 72 -5.344 -4.278 -3.661 526 2HG MET 72 2HG MET 72 -6.340 -4.829 -2.328 527 1HE MET 72 2HE MET 72 -3.341 -5.317 -3.993 528 2HE MET 72 3HE MET 72 -3.065 -7.045 -4.322 529 3HE MET 72 1HE MET 72 -4.089 -6.084 -5.415 530 H ALA 73 H ALA 73 -9.414 -2.896 -4.806 531 HA ALA 73 HA ALA 73 -11.008 -4.288 -6.650 532 1HB ALA 73 2HB ALA 73 -11.738 -3.153 -4.515 533 2HB ALA 73 3HB ALA 73 -11.541 -1.592 -5.347 534 3HB ALA 73 1HB ALA 73 -12.743 -2.767 -5.933 535 H ARG 74 H ARG 74 -9.423 -1.039 -6.697 536 HA ARG 74 HA ARG 74 -10.060 -0.985 -9.538 537 1HB ARG 74 1HB ARG 74 -9.716 1.580 -9.239 538 2HB ARG 74 2HB ARG 74 -11.191 0.889 -8.594 539 1HG ARG 74 1HG ARG 74 -10.510 1.130 -6.373 540 2HG ARG 74 2HG ARG 74 -8.808 0.964 -6.759 541 1HD ARG 74 1HD ARG 74 -10.540 3.410 -7.368 542 2HD ARG 74 2HD ARG 74 -9.346 3.298 -6.091 543 HE ARG 74 HE ARG 74 -8.069 2.630 -8.560 544 1HH1 ARG 74 2HH2 ARG 74 -9.488 5.411 -6.938 545 2HH1 ARG 74 1HH2 ARG 74 -8.488 6.562 -7.760 546 1HH2 ARG 74 2HH1 ARG 74 -6.750 4.147 -9.646 547 2HH2 ARG 74 1HH1 ARG 74 -6.920 5.838 -9.311 548 H LYS 75 H LYS 75 -7.959 -2.404 -9.466 549 HA LYS 75 HA LYS 75 -5.526 -1.141 -8.790 550 1HB LYS 75 1HB LYS 75 -4.780 -3.225 -8.989 551 2HB LYS 75 2HB LYS 75 -6.396 -3.721 -9.450 552 1HG LYS 75 1HG LYS 75 -5.778 -3.014 -11.861 553 2HG LYS 75 2HG LYS 75 -4.123 -2.882 -11.300 554 1HD LYS 75 1HD LYS 75 -3.866 -5.114 -11.591 555 2HD LYS 75 2HD LYS 75 -5.061 -5.399 -10.340 556 1HE LYS 75 1HE LYS 75 -5.733 -4.907 -13.282 557 2HE LYS 75 2HE LYS 75 -5.631 -6.494 -12.545 558 1HZ LYS 75 1HZ LYS 75 -7.342 -4.516 -11.288 559 2HZ LYS 75 2HZ LYS 75 -7.866 -5.222 -12.664 560 3HZ LYS 75 3HZ LYS 75 -7.513 -6.138 -11.359 No H/Q in entry = 560 Start of MODEL 19 1 H MET 0 H MET 0 -23.316 -21.846 9.208 2 HA MET 0 HA MET 0 -22.319 -19.858 7.985 3 1HB MET 0 1HB MET 0 -23.477 -22.324 7.142 4 2HB MET 0 2HB MET 0 -24.100 -21.139 6.012 5 1HG MET 0 1HG MET 0 -22.116 -21.209 4.910 6 2HG MET 0 2HG MET 0 -21.347 -20.492 6.312 7 1HE MET 0 3HE MET 0 -20.949 -23.081 3.919 8 2HE MET 0 1HE MET 0 -20.851 -24.659 4.738 9 3HE MET 0 2HE MET 0 -22.422 -23.838 4.573 10 H ALA 1 H ALA 1 -23.322 -18.810 5.698 11 HA ALA 1 HA ALA 1 -25.972 -17.849 5.933 12 1HB ALA 1 1HB ALA 1 -24.605 -16.586 7.760 13 2HB ALA 1 2HB ALA 1 -23.878 -15.716 6.388 14 3HB ALA 1 3HB ALA 1 -25.635 -15.639 6.659 15 H ASP 2 H ASP 2 -26.248 -15.945 4.240 16 HA ASP 2 HA ASP 2 -24.940 -16.917 1.894 17 1HB ASP 2 1HB ASP 2 -27.126 -14.883 2.460 18 2HB ASP 2 2HB ASP 2 -26.426 -15.005 0.859 19 H GLN 3 H GLN 3 -24.457 -14.862 0.223 20 HA GLN 3 HA GLN 3 -23.099 -13.250 -0.294 21 1HB GLN 3 1HB GLN 3 -24.733 -12.129 1.570 22 2HB GLN 3 2HB GLN 3 -23.194 -11.886 2.370 23 1HG GLN 3 1HG GLN 3 -22.311 -10.846 0.223 24 2HG GLN 3 2HG GLN 3 -23.924 -10.974 -0.452 25 1HE2 GLN 3 2HE2 GLN 3 -25.350 -8.304 1.304 26 2HE2 GLN 3 1HE2 GLN 3 -25.596 -9.714 0.328 27 H LEU 4 H LEU 4 -20.885 -13.251 -0.487 28 HA LEU 4 HA LEU 4 -19.326 -14.900 1.073 29 1HB LEU 4 1HB LEU 4 -17.417 -13.647 0.011 30 2HB LEU 4 2HB LEU 4 -18.575 -14.400 -1.068 31 HG LEU 4 HG LEU 4 -19.285 -11.629 -0.488 32 1HD1 LEU 4 3HD1 LEU 4 -16.478 -12.189 -0.934 33 2HD1 LEU 4 1HD1 LEU 4 -17.157 -11.203 -2.252 34 3HD1 LEU 4 2HD1 LEU 4 -17.293 -10.650 -0.566 35 1HD2 LEU 4 3HD2 LEU 4 -19.698 -13.486 -2.495 36 2HD2 LEU 4 1HD2 LEU 4 -20.122 -11.758 -2.549 37 3HD2 LEU 4 2HD2 LEU 4 -18.578 -12.317 -3.236 38 H THR 5 H THR 5 -17.166 -13.921 2.170 39 HA THR 5 HA THR 5 -17.697 -11.553 3.724 40 HB THR 5 HB THR 5 -18.164 -12.571 5.765 41 HG1 THR 5 HG1 THR 5 -16.693 -14.816 4.573 42 1HG2 THR 5 2HG2 THR 5 -18.873 -14.834 3.824 43 2HG2 THR 5 3HG2 THR 5 -19.427 -14.733 5.513 44 3HG2 THR 5 1HG2 THR 5 -19.959 -13.517 4.327 45 H GLU 6 H GLU 6 -15.784 -12.090 5.773 46 HA GLU 6 HA GLU 6 -13.542 -11.194 4.665 47 1HB GLU 6 1HB GLU 6 -13.821 -13.094 7.031 48 2HB GLU 6 2HB GLU 6 -12.334 -12.249 6.649 49 1HG GLU 6 1HG GLU 6 -13.627 -10.058 6.766 50 2HG GLU 6 2HG GLU 6 -15.024 -10.964 7.314 51 H GLU 7 H GLU 7 -14.637 -14.601 4.793 52 HA GLU 7 HA GLU 7 -12.466 -16.004 4.275 53 1HB GLU 7 1HB GLU 7 -15.230 -16.185 3.039 54 2HB GLU 7 2HB GLU 7 -13.996 -17.361 2.633 55 1HG GLU 7 1HG GLU 7 -13.935 -17.076 5.484 56 2HG GLU 7 2HG GLU 7 -15.625 -17.191 5.034 57 H GLN 8 H GLN 8 -14.108 -13.792 1.979 58 HA GLN 8 HA GLN 8 -12.411 -14.586 -0.165 59 1HB GLN 8 1HB GLN 8 -14.657 -12.638 0.237 60 2HB GLN 8 2HB GLN 8 -13.547 -12.299 -1.076 61 1HG GLN 8 1HG GLN 8 -15.447 -13.688 -1.859 62 2HG GLN 8 2HG GLN 8 -13.930 -14.548 -2.034 63 1HE2 GLN 8 2HE2 GLN 8 -15.561 -17.272 -0.577 64 2HE2 GLN 8 1HE2 GLN 8 -14.908 -16.542 -2.005 65 H ILE 9 H ILE 9 -12.682 -11.831 2.144 66 HA ILE 9 HA ILE 9 -10.688 -10.255 0.978 67 HB ILE 9 HB ILE 9 -12.517 -9.896 2.896 68 1HG1 ILE 9 1HG1 ILE 9 -10.847 -7.857 3.516 69 2HG1 ILE 9 2HG1 ILE 9 -10.097 -8.408 2.031 70 1HG2 ILE 9 1HG2 ILE 9 -9.917 -10.373 4.370 71 2HG2 ILE 9 2HG2 ILE 9 -11.297 -9.473 5.045 72 3HG2 ILE 9 3HG2 ILE 9 -11.479 -11.190 4.612 73 1HD1 ILE 9 2HD1 ILE 9 -13.093 -8.137 2.038 74 2HD1 ILE 9 3HD1 ILE 9 -12.121 -6.646 2.013 75 3HD1 ILE 9 1HD1 ILE 9 -11.932 -7.853 0.719 76 H ALA 10 H ALA 10 -10.610 -13.012 3.253 77 HA ALA 10 HA ALA 10 -8.131 -12.817 4.310 78 1HB ALA 10 3HB ALA 10 -10.017 -14.963 3.592 79 2HB ALA 10 1HB ALA 10 -8.322 -15.503 3.655 80 3HB ALA 10 2HB ALA 10 -9.063 -14.730 5.077 81 H GLU 11 H GLU 11 -9.034 -13.758 0.960 82 HA GLU 11 HA GLU 11 -6.449 -14.549 0.248 83 1HB GLU 11 1HB GLU 11 -8.805 -13.605 -1.442 84 2HB GLU 11 2HB GLU 11 -7.342 -14.300 -2.113 85 1HG GLU 11 1HG GLU 11 -7.733 -16.370 -0.707 86 2HG GLU 11 2HG GLU 11 -9.247 -15.676 -0.161 87 H PHE 12 H PHE 12 -8.210 -11.427 0.201 88 HA PHE 12 HA PHE 12 -6.303 -10.059 -1.357 89 1HB PHE 12 1HB PHE 12 -8.499 -9.363 0.661 90 2HB PHE 12 2HB PHE 12 -7.528 -8.086 -0.044 91 HD1 PHE 12 HD1 PHE 12 -9.098 -11.165 -1.472 92 HD2 PHE 12 HD2 PHE 12 -8.756 -6.938 -1.614 93 HE1 PHE 12 HE1 PHE 12 -10.620 -11.109 -3.467 94 HE2 PHE 12 HE2 PHE 12 -10.278 -6.882 -3.609 95 HZ PHE 12 HZ PHE 12 -11.192 -8.968 -4.512 96 H LYS 13 H LYS 13 -6.631 -10.786 2.125 97 HA LYS 13 HA LYS 13 -5.114 -8.934 3.321 98 1HB LYS 13 1HB LYS 13 -5.206 -11.926 3.746 99 2HB LYS 13 2HB LYS 13 -4.310 -10.859 4.808 100 1HG LYS 13 1HG LYS 13 -6.596 -9.478 4.852 101 2HG LYS 13 2HG LYS 13 -7.296 -11.002 4.343 102 1HD LYS 13 1HD LYS 13 -5.813 -11.978 6.356 103 2HD LYS 13 2HD LYS 13 -5.898 -10.326 6.934 104 1HE LYS 13 1HE LYS 13 -8.491 -10.552 6.474 105 2HE LYS 13 2HE LYS 13 -8.177 -12.276 6.466 106 1HZ LYS 13 3HZ LYS 13 -6.872 -11.227 8.653 107 2HZ LYS 13 1HZ LYS 13 -8.366 -10.568 8.657 108 3HZ LYS 13 2HZ LYS 13 -8.190 -12.191 8.649 109 H GLU 14 H GLU 14 -3.688 -11.976 1.919 110 HA GLU 14 HA GLU 14 -1.104 -11.350 2.227 111 1HB GLU 14 1HB GLU 14 -2.465 -12.773 -0.097 112 2HB GLU 14 2HB GLU 14 -0.725 -12.745 0.109 113 1HG GLU 14 1HG GLU 14 -1.449 -13.529 2.622 114 2HG GLU 14 2HG GLU 14 -2.809 -14.174 1.725 115 H ALA 15 H ALA 15 -3.363 -10.107 -0.262 116 HA ALA 15 HA ALA 15 -1.495 -8.950 -1.960 117 1HB ALA 15 2HB ALA 15 -4.121 -9.292 -2.068 118 2HB ALA 15 3HB ALA 15 -4.147 -7.643 -1.398 119 3HB ALA 15 1HB ALA 15 -3.344 -7.959 -2.955 120 H PHE 16 H PHE 16 -3.299 -7.520 0.853 121 HA PHE 16 HA PHE 16 -2.056 -5.037 0.713 122 1HB PHE 16 1HB PHE 16 -4.143 -5.792 2.015 123 2HB PHE 16 2HB PHE 16 -3.089 -6.638 3.131 124 HD1 PHE 16 HD1 PHE 16 -3.750 -3.238 1.765 125 HD2 PHE 16 HD2 PHE 16 -2.275 -5.537 5.012 126 HE1 PHE 16 HE1 PHE 16 -3.537 -1.152 3.145 127 HE2 PHE 16 HE2 PHE 16 -2.061 -3.451 6.392 128 HZ PHE 16 HZ PHE 16 -2.694 -1.284 5.442 129 H SER 17 H SER 17 -1.080 -8.125 2.234 130 HA SER 17 HA SER 17 0.840 -7.121 3.924 131 1HB SER 17 1HB SER 17 0.259 -9.748 2.625 132 2HB SER 17 2HB SER 17 1.896 -9.547 3.217 133 HG SER 17 HG SER 17 -0.492 -9.859 4.638 134 H LEU 18 H LEU 18 1.101 -8.286 0.494 135 HA LEU 18 HA LEU 18 3.721 -8.147 0.026 136 1HB LEU 18 1HB LEU 18 1.295 -7.812 -1.515 137 2HB LEU 18 2HB LEU 18 2.586 -6.822 -2.166 138 HG LEU 18 HG LEU 18 3.903 -9.184 -1.808 139 1HD1 LEU 18 2HD1 LEU 18 1.012 -9.853 -2.386 140 2HD1 LEU 18 3HD1 LEU 18 2.366 -10.937 -2.786 141 3HD1 LEU 18 1HD1 LEU 18 2.057 -10.486 -1.092 142 1HD2 LEU 18 2HD2 LEU 18 2.717 -7.707 -4.038 143 2HD2 LEU 18 3HD2 LEU 18 4.320 -8.465 -3.879 144 3HD2 LEU 18 1HD2 LEU 18 2.916 -9.444 -4.369 145 H PHE 19 H PHE 19 1.497 -5.281 0.060 146 HA PHE 19 HA PHE 19 3.667 -3.476 -0.301 147 1HB PHE 19 1HB PHE 19 0.715 -3.318 0.524 148 2HB PHE 19 2HB PHE 19 1.697 -1.871 0.419 149 HD1 PHE 19 HD2 PHE 19 2.623 -1.168 -1.786 150 HD2 PHE 19 HD1 PHE 19 -0.134 -4.375 -1.436 151 HE1 PHE 19 HE2 PHE 19 2.127 -1.009 -4.241 152 HE2 PHE 19 HE1 PHE 19 -0.631 -4.216 -3.891 153 HZ PHE 19 HZ PHE 19 0.506 -2.535 -5.265 154 H ASP 20 H ASP 20 1.552 -4.445 2.481 155 HA ASP 20 HA ASP 20 3.011 -2.750 4.234 156 1HB ASP 20 1HB ASP 20 0.699 -3.097 4.765 157 2HB ASP 20 2HB ASP 20 0.824 -4.833 4.563 158 H LYS 21 H LYS 21 5.200 -3.494 4.353 159 HA LYS 21 HA LYS 21 5.777 -6.279 4.586 160 1HB LYS 21 1HB LYS 21 7.166 -4.255 3.578 161 2HB LYS 21 2HB LYS 21 7.776 -4.139 5.216 162 1HG LYS 21 1HG LYS 21 7.691 -6.835 3.828 163 2HG LYS 21 2HG LYS 21 8.992 -5.716 3.474 164 1HD LYS 21 1HD LYS 21 10.050 -6.272 5.399 165 2HD LYS 21 2HD LYS 21 8.651 -5.801 6.342 166 1HE LYS 21 1HE LYS 21 7.704 -8.169 5.473 167 2HE LYS 21 2HE LYS 21 9.410 -8.530 5.304 168 1HZ LYS 21 2HZ LYS 21 9.687 -7.840 7.617 169 2HZ LYS 21 3HZ LYS 21 8.074 -7.621 7.757 170 3HZ LYS 21 1HZ LYS 21 8.674 -9.113 7.471 171 H ASP 22 H ASP 22 5.920 -3.413 6.805 172 HA ASP 22 HA ASP 22 6.861 -4.656 8.998 173 1HB ASP 22 1HB ASP 22 4.589 -2.614 8.944 174 2HB ASP 22 2HB ASP 22 5.641 -2.930 10.310 175 H GLY 23 H GLY 23 3.784 -5.067 7.358 176 1HA GLY 23 1HA GLY 23 2.001 -6.378 7.739 177 2HA GLY 23 2HA GLY 23 3.013 -7.313 8.822 178 H ASP 24 H ASP 24 2.841 -3.939 9.645 179 HA ASP 24 HA ASP 24 1.729 -4.479 12.112 180 1HB ASP 24 1HB ASP 24 1.480 -1.961 12.253 181 2HB ASP 24 2HB ASP 24 3.082 -2.502 11.796 182 H GLY 25 H GLY 25 0.362 -3.649 8.933 183 1HA GLY 25 1HA GLY 25 -1.942 -4.391 8.603 184 2HA GLY 25 2HA GLY 25 -2.347 -3.623 10.125 185 H THR 26 H THR 26 0.074 -1.894 8.340 186 HA THR 26 HA THR 26 -1.897 -0.280 6.922 187 HB THR 26 HB THR 26 -1.066 1.784 8.025 188 HG1 THR 26 HG1 THR 26 1.087 0.928 8.479 189 1HG2 THR 26 1HG2 THR 26 -2.903 0.427 9.217 190 2HG2 THR 26 2HG2 THR 26 -1.610 -0.282 10.213 191 3HG2 THR 26 3HG2 THR 26 -1.925 1.468 10.279 192 H ILE 27 H ILE 27 -0.978 1.081 5.269 193 HA ILE 27 HA ILE 27 1.762 0.269 4.591 194 HB ILE 27 HB ILE 27 -0.601 0.589 2.738 195 1HG1 ILE 27 1HG1 ILE 27 1.014 -1.887 3.409 196 2HG1 ILE 27 2HG1 ILE 27 -0.546 -1.504 4.110 197 1HG2 ILE 27 1HG2 ILE 27 1.835 1.322 2.018 198 2HG2 ILE 27 2HG2 ILE 27 2.054 -0.434 1.825 199 3HG2 ILE 27 3HG2 ILE 27 0.772 0.408 0.921 200 1HD1 ILE 27 3HD1 ILE 27 -0.140 -1.617 1.096 201 2HD1 ILE 27 1HD1 ILE 27 -0.551 -3.061 2.052 202 3HD1 ILE 27 2HD1 ILE 27 -1.671 -1.679 2.002 203 H THR 28 H THR 28 3.000 2.030 5.014 204 HA THR 28 HA THR 28 1.886 4.672 4.744 205 HB THR 28 HB THR 28 3.426 4.064 6.599 206 HG1 THR 28 HG1 THR 28 3.929 6.182 6.181 207 1HG2 THR 28 3HG2 THR 28 5.289 3.429 4.271 208 2HG2 THR 28 1HG2 THR 28 5.932 3.925 5.854 209 3HG2 THR 28 2HG2 THR 28 4.957 2.443 5.715 210 H THR 29 H THR 29 4.711 5.596 3.861 211 HA THR 29 HA THR 29 4.038 5.509 1.019 212 HB THR 29 HB THR 29 5.918 7.363 1.106 213 HG1 THR 29 HG1 THR 29 6.703 6.968 3.217 214 1HG2 THR 29 2HG2 THR 29 3.335 7.757 1.064 215 2HG2 THR 29 3HG2 THR 29 3.469 7.945 2.829 216 3HG2 THR 29 1HG2 THR 29 4.339 9.058 1.746 217 H LYS 30 H LYS 30 6.848 4.940 3.228 218 HA LYS 30 HA LYS 30 8.595 4.105 1.246 219 1HB LYS 30 1HB LYS 30 8.491 4.200 4.126 220 2HB LYS 30 2HB LYS 30 9.169 2.666 3.620 221 1HG LYS 30 1HG LYS 30 11.016 3.648 2.596 222 2HG LYS 30 2HG LYS 30 10.143 5.103 2.160 223 1HD LYS 30 1HD LYS 30 10.825 6.172 4.045 224 2HD LYS 30 2HD LYS 30 10.257 4.865 5.064 225 1HE LYS 30 1HE LYS 30 12.386 3.578 4.439 226 2HE LYS 30 2HE LYS 30 12.957 5.035 3.651 227 1HZ LYS 30 2HZ LYS 30 12.080 5.034 6.446 228 2HZ LYS 30 3HZ LYS 30 13.623 4.711 6.020 229 3HZ LYS 30 1HZ LYS 30 12.967 6.166 5.674 230 H GLU 31 H GLU 31 6.377 2.152 3.355 231 HA GLU 31 HA GLU 31 7.046 -0.271 2.231 232 1HB GLU 31 1HB GLU 31 4.451 0.663 3.529 233 2HB GLU 31 2HB GLU 31 4.793 -1.012 3.148 234 1HG GLU 31 1HG GLU 31 7.089 -0.361 4.502 235 2HG GLU 31 2HG GLU 31 5.960 0.727 5.285 236 H LEU 32 H LEU 32 5.190 2.397 0.963 237 HA LEU 32 HA LEU 32 3.745 0.748 -0.917 238 1HB LEU 32 1HB LEU 32 2.912 2.870 0.258 239 2HB LEU 32 2HB LEU 32 3.913 3.752 -0.879 240 HG LEU 32 HG LEU 32 2.542 2.193 -2.614 241 1HD1 LEU 32 3HD1 LEU 32 0.684 2.618 -0.260 242 2HD1 LEU 32 1HD1 LEU 32 0.156 2.179 -1.902 243 3HD1 LEU 32 2HD1 LEU 32 1.194 1.070 -0.974 244 1HD2 LEU 32 1HD2 LEU 32 2.348 4.939 -1.624 245 2HD2 LEU 32 2HD2 LEU 32 2.336 4.310 -3.289 246 3HD2 LEU 32 3HD2 LEU 32 0.832 4.340 -2.339 247 H GLY 33 H GLY 33 6.694 2.721 -0.712 248 1HA GLY 33 1HA GLY 33 7.103 2.634 -3.593 249 2HA GLY 33 2HA GLY 33 8.113 3.409 -2.388 250 H THR 34 H THR 34 7.507 0.486 -0.979 251 HA THR 34 HA THR 34 10.083 -0.538 -1.744 252 HB THR 34 HB THR 34 7.898 -1.219 0.257 253 HG1 THR 34 HG1 THR 34 9.549 -0.404 1.562 254 1HG2 THR 34 3HG2 THR 34 9.351 -3.266 -0.914 255 2HG2 THR 34 1HG2 THR 34 10.457 -2.747 0.380 256 3HG2 THR 34 2HG2 THR 34 8.805 -3.277 0.780 257 H VAL 35 H VAL 35 6.770 -2.028 -1.729 258 HA VAL 35 HA VAL 35 7.369 -4.235 -3.182 259 HB VAL 35 HB VAL 35 4.960 -2.533 -2.800 260 1HG1 VAL 35 3HG1 VAL 35 5.148 -4.727 -4.886 261 2HG1 VAL 35 1HG1 VAL 35 3.615 -4.125 -4.212 262 3HG1 VAL 35 2HG1 VAL 35 4.675 -3.028 -5.129 263 1HG2 VAL 35 1HG2 VAL 35 5.679 -5.432 -2.276 264 2HG2 VAL 35 2HG2 VAL 35 5.457 -4.126 -1.087 265 3HG2 VAL 35 3HG2 VAL 35 4.059 -4.750 -1.994 266 H MET 36 H MET 36 7.245 -0.877 -4.257 267 HA MET 36 HA MET 36 6.924 -1.452 -6.982 268 1HB MET 36 1HB MET 36 8.164 0.938 -5.508 269 2HB MET 36 2HB MET 36 7.785 0.946 -7.219 270 1HG MET 36 1HG MET 36 5.449 0.032 -5.752 271 2HG MET 36 2HG MET 36 6.024 1.520 -5.026 272 1HE MET 36 3HE MET 36 4.472 -0.342 -7.562 273 2HE MET 36 1HE MET 36 3.202 0.902 -7.645 274 3HE MET 36 2HE MET 36 4.281 0.637 -9.036 275 H ARG 37 H ARG 37 9.783 -0.952 -4.839 276 HA ARG 37 HA ARG 37 11.696 -0.811 -6.762 277 1HB ARG 37 1HB ARG 37 11.675 -1.904 -3.928 278 2HB ARG 37 2HB ARG 37 13.141 -2.011 -4.882 279 1HG ARG 37 1HG ARG 37 13.503 0.276 -4.856 280 2HG ARG 37 2HG ARG 37 11.793 0.659 -4.902 281 1HD ARG 37 1HD ARG 37 12.078 -0.597 -2.412 282 2HD ARG 37 2HD ARG 37 13.573 0.304 -2.565 283 HE ARG 37 HE ARG 37 10.860 1.429 -2.347 284 1HH1 ARG 37 2HH2 ARG 37 14.222 2.044 -3.186 285 2HH1 ARG 37 1HH2 ARG 37 14.094 3.758 -2.973 286 1HH2 ARG 37 2HH1 ARG 37 10.691 3.691 -2.067 287 2HH2 ARG 37 1HH1 ARG 37 12.073 4.701 -2.333 288 H SER 38 H SER 38 9.772 -3.560 -5.668 289 HA SER 38 HA SER 38 11.557 -5.539 -6.589 290 1HB SER 38 1HB SER 38 8.692 -5.465 -5.650 291 2HB SER 38 2HB SER 38 9.251 -6.897 -6.492 292 HG SER 38 HG SER 38 10.091 -5.829 -3.974 293 H LEU 39 H LEU 39 9.281 -3.368 -8.084 294 HA LEU 39 HA LEU 39 9.159 -5.064 -10.470 295 1HB LEU 39 1HB LEU 39 7.241 -3.480 -9.097 296 2HB LEU 39 2HB LEU 39 7.526 -2.726 -10.653 297 HG LEU 39 HG LEU 39 7.269 -5.405 -11.313 298 1HD1 LEU 39 3HD1 LEU 39 6.541 -5.850 -8.966 299 2HD1 LEU 39 1HD1 LEU 39 5.140 -4.789 -9.250 300 3HD1 LEU 39 2HD1 LEU 39 5.335 -6.280 -10.203 301 1HD2 LEU 39 2HD2 LEU 39 5.380 -3.061 -11.384 302 2HD2 LEU 39 3HD2 LEU 39 6.318 -3.796 -12.706 303 3HD2 LEU 39 1HD2 LEU 39 4.912 -4.652 -12.029 304 H GLY 40 H GLY 40 11.505 -3.423 -9.414 305 1HA GLY 40 1HA GLY 40 13.136 -2.170 -10.319 306 2HA GLY 40 2HA GLY 40 12.396 -2.433 -11.885 307 H GLN 41 H GLN 41 10.534 -0.972 -9.231 308 HA GLN 41 HA GLN 41 10.655 1.533 -10.717 309 1HB GLN 41 1HB GLN 41 8.445 0.135 -9.217 310 2HB GLN 41 2HB GLN 41 8.417 1.885 -9.295 311 1HG GLN 41 1HG GLN 41 8.959 1.292 -11.925 312 2HG GLN 41 2HG GLN 41 8.021 -0.119 -11.477 313 1HE2 GLN 41 2HE2 GLN 41 4.975 1.597 -10.840 314 2HE2 GLN 41 1HE2 GLN 41 5.950 0.236 -10.395 315 H ASN 42 H ASN 42 9.858 3.442 -9.038 316 HA ASN 42 HA ASN 42 10.536 3.237 -6.399 317 1HB ASN 42 1HB ASN 42 12.878 2.908 -7.636 318 2HB ASN 42 2HB ASN 42 12.803 4.645 -7.853 319 1HD2 ASN 42 2HD2 ASN 42 14.690 4.169 -4.774 320 2HD2 ASN 42 1HD2 ASN 42 14.848 3.931 -6.482 321 HA PRO 43 HA PRO 43 8.742 7.117 -8.038 322 1HB PRO 43 1HB PRO 43 6.346 7.007 -6.729 323 2HB PRO 43 2HB PRO 43 6.575 6.409 -8.360 324 1HG PRO 43 1HG PRO 43 6.301 4.878 -5.846 325 2HG PRO 43 2HG PRO 43 6.105 4.323 -7.497 326 1HD PRO 43 1HD PRO 43 8.361 3.860 -5.788 327 2HD PRO 43 2HD PRO 43 8.213 3.406 -7.474 328 H THR 44 H THR 44 8.774 9.183 -7.192 329 HA THR 44 HA THR 44 10.143 9.382 -4.744 330 HB THR 44 HB THR 44 9.650 11.850 -5.123 331 HG1 THR 44 HG1 THR 44 7.763 12.046 -6.273 332 1HG2 THR 44 2HG2 THR 44 11.177 10.127 -6.787 333 2HG2 THR 44 3HG2 THR 44 10.205 11.112 -7.907 334 3HG2 THR 44 1HG2 THR 44 11.279 11.903 -6.728 335 H GLU 45 H GLU 45 9.452 10.457 -2.758 336 HA GLU 45 HA GLU 45 7.281 9.210 -1.672 337 1HB GLU 45 1HB GLU 45 9.042 11.504 -0.904 338 2HB GLU 45 2HB GLU 45 7.529 11.372 -0.030 339 1HG GLU 45 1HG GLU 45 8.092 8.926 0.430 340 2HG GLU 45 2HG GLU 45 9.664 9.205 -0.294 341 H ALA 46 H ALA 46 7.495 12.213 -3.542 342 HA ALA 46 HA ALA 46 5.056 13.341 -2.730 343 1HB ALA 46 2HB ALA 46 7.052 13.680 -4.915 344 2HB ALA 46 3HB ALA 46 5.414 14.289 -5.249 345 3HB ALA 46 1HB ALA 46 6.317 14.892 -3.838 346 H GLU 47 H GLU 47 5.975 11.113 -5.430 347 HA GLU 47 HA GLU 47 3.505 11.048 -6.626 348 1HB GLU 47 1HB GLU 47 5.512 10.134 -7.687 349 2HB GLU 47 2HB GLU 47 5.671 8.911 -6.442 350 1HG GLU 47 1HG GLU 47 4.095 7.555 -7.397 351 2HG GLU 47 2HG GLU 47 3.001 8.888 -7.711 352 H LEU 48 H LEU 48 4.915 8.644 -4.278 353 HA LEU 48 HA LEU 48 2.723 7.055 -3.989 354 1HB LEU 48 1HB LEU 48 4.670 7.871 -1.828 355 2HB LEU 48 2HB LEU 48 3.644 6.451 -1.814 356 HG LEU 48 HG LEU 48 5.579 6.824 -4.077 357 1HD1 LEU 48 1HD1 LEU 48 6.579 7.121 -1.608 358 2HD1 LEU 48 2HD1 LEU 48 6.571 5.343 -1.701 359 3HD1 LEU 48 3HD1 LEU 48 7.452 6.294 -2.921 360 1HD2 LEU 48 3HD2 LEU 48 4.252 4.495 -2.698 361 2HD2 LEU 48 1HD2 LEU 48 4.175 4.984 -4.408 362 3HD2 LEU 48 2HD2 LEU 48 5.671 4.279 -3.751 363 H GLN 49 H GLN 49 3.556 9.917 -1.904 364 HA GLN 49 HA GLN 49 1.437 9.945 -0.308 365 1HB GLN 49 1HB GLN 49 3.445 11.722 -0.921 366 2HB GLN 49 2HB GLN 49 2.046 12.619 -1.474 367 1HG GLN 49 1HG GLN 49 2.161 13.263 0.783 368 2HG GLN 49 2HG GLN 49 0.985 11.965 0.844 369 1HE2 GLN 49 2HE2 GLN 49 2.768 10.398 3.357 370 2HE2 GLN 49 1HE2 GLN 49 1.283 11.045 2.743 371 H ASP 50 H ASP 50 1.513 11.032 -3.740 372 HA ASP 50 HA ASP 50 -1.052 12.108 -3.727 373 1HB ASP 50 1HB ASP 50 1.073 11.592 -5.618 374 2HB ASP 50 2HB ASP 50 -0.421 11.003 -6.319 375 H MET 51 H MET 51 0.339 8.856 -4.471 376 HA MET 51 HA MET 51 -2.037 7.758 -5.444 377 1HB MET 51 1HB MET 51 0.341 6.378 -4.078 378 2HB MET 51 2HB MET 51 -0.813 5.595 -5.139 379 1HG MET 51 1HG MET 51 -0.030 6.792 -7.070 380 2HG MET 51 2HG MET 51 0.811 7.984 -6.098 381 1HE MET 51 1HE MET 51 1.065 5.515 -8.350 382 2HE MET 51 2HE MET 51 2.641 6.333 -8.475 383 3HE MET 51 3HE MET 51 2.568 4.594 -8.105 384 H ILE 52 H ILE 52 -0.379 7.443 -2.220 385 HA ILE 52 HA ILE 52 -2.145 5.821 -0.964 386 HB ILE 52 HB ILE 52 -0.484 8.131 -0.003 387 1HG1 ILE 52 1HG1 ILE 52 -0.250 5.124 0.031 388 2HG1 ILE 52 2HG1 ILE 52 0.846 6.302 -0.663 389 1HG2 ILE 52 1HG2 ILE 52 -2.705 6.948 1.401 390 2HG2 ILE 52 2HG2 ILE 52 -1.177 6.561 2.229 391 3HG2 ILE 52 3HG2 ILE 52 -1.609 8.257 1.904 392 1HD1 ILE 52 3HD1 ILE 52 0.863 7.149 1.935 393 2HD1 ILE 52 1HD1 ILE 52 0.562 5.410 2.171 394 3HD1 ILE 52 2HD1 ILE 52 2.010 5.951 1.287 395 H ASN 53 H ASN 53 -2.384 9.422 -1.306 396 HA ASN 53 HA ASN 53 -4.586 9.861 0.147 397 1HB ASN 53 1HB ASN 53 -3.343 11.092 -2.258 398 2HB ASN 53 2HB ASN 53 -5.055 11.440 -2.122 399 1HD2 ASN 53 2HD2 ASN 53 -2.633 13.764 -0.173 400 2HD2 ASN 53 1HD2 ASN 53 -2.438 12.952 -1.691 401 H GLU 54 H GLU 54 -4.337 8.609 -3.240 402 HA GLU 54 HA GLU 54 -6.963 8.691 -3.937 403 1HB GLU 54 1HB GLU 54 -4.982 6.483 -4.644 404 2HB GLU 54 2HB GLU 54 -6.415 6.913 -5.557 405 1HG GLU 54 1HG GLU 54 -5.344 9.328 -5.635 406 2HG GLU 54 2HG GLU 54 -3.857 8.507 -5.204 407 H VAL 55 H VAL 55 -5.214 6.317 -1.895 408 HA VAL 55 HA VAL 55 -7.786 4.974 -1.433 409 HB VAL 55 HB VAL 55 -5.912 3.259 -0.482 410 1HG1 VAL 55 1HG1 VAL 55 -7.651 3.470 -2.788 411 2HG1 VAL 55 2HG1 VAL 55 -6.171 2.571 -3.200 412 3HG1 VAL 55 3HG1 VAL 55 -7.190 2.034 -1.842 413 1HG2 VAL 55 2HG2 VAL 55 -4.108 4.799 -1.362 414 2HG2 VAL 55 3HG2 VAL 55 -4.027 3.118 -1.942 415 3HG2 VAL 55 1HG2 VAL 55 -4.669 4.396 -3.002 416 H ASP 56 H ASP 56 -7.065 7.493 -0.206 417 HA ASP 56 HA ASP 56 -7.227 6.600 2.507 418 1HB ASP 56 1HB ASP 56 -4.900 6.847 2.620 419 2HB ASP 56 2HB ASP 56 -4.863 8.082 1.377 420 H ALA 57 H ALA 57 -9.333 7.597 2.505 421 HA ALA 57 HA ALA 57 -9.531 10.358 1.636 422 1HB ALA 57 2HB ALA 57 -11.209 8.209 1.444 423 2HB ALA 57 3HB ALA 57 -11.844 8.998 2.908 424 3HB ALA 57 1HB ALA 57 -11.748 9.904 1.379 425 H ASP 58 H ASP 58 -8.715 8.591 4.455 426 HA ASP 58 HA ASP 58 -9.970 10.298 6.318 427 1HB ASP 58 1HB ASP 58 -9.209 8.760 7.817 428 2HB ASP 58 2HB ASP 58 -8.714 7.834 6.415 429 H GLY 59 H GLY 59 -6.733 9.983 4.754 430 1HA GLY 59 1HA GLY 59 -5.204 11.631 4.358 431 2HA GLY 59 2HA GLY 59 -6.131 12.751 5.337 432 H ASN 60 H ASN 60 -5.165 9.481 6.443 433 HA ASN 60 HA ASN 60 -3.928 10.665 8.707 434 1HB ASN 60 1HB ASN 60 -3.615 8.331 9.456 435 2HB ASN 60 2HB ASN 60 -5.237 8.520 8.822 436 1HD2 ASN 60 2HD2 ASN 60 -3.493 5.416 7.518 437 2HD2 ASN 60 1HD2 ASN 60 -3.679 6.119 9.090 438 H GLY 61 H GLY 61 -3.006 9.648 5.507 439 1HA GLY 61 1HA GLY 61 -0.908 10.164 4.603 440 2HA GLY 61 2HA GLY 61 -0.169 9.996 6.183 441 H THR 62 H THR 62 -1.685 7.456 6.804 442 HA THR 62 HA THR 62 -0.010 5.686 5.166 443 HB THR 62 HB THR 62 -1.397 4.862 7.725 444 HG1 THR 62 HG1 THR 62 0.937 6.594 7.313 445 1HG2 THR 62 2HG2 THR 62 0.198 3.341 6.390 446 2HG2 THR 62 3HG2 THR 62 1.488 4.505 6.776 447 3HG2 THR 62 1HG2 THR 62 0.665 3.623 8.084 448 H ILE 63 H ILE 63 -0.975 3.418 4.841 449 HA ILE 63 HA ILE 63 -3.774 3.792 4.026 450 HB ILE 63 HB ILE 63 -1.528 2.260 2.719 451 1HG1 ILE 63 1HG1 ILE 63 -2.224 4.894 2.450 452 2HG1 ILE 63 2HG1 ILE 63 -1.381 3.939 1.247 453 1HG2 ILE 63 3HG2 ILE 63 -4.506 2.086 2.317 454 2HG2 ILE 63 1HG2 ILE 63 -3.376 1.782 0.975 455 3HG2 ILE 63 2HG2 ILE 63 -3.301 0.782 2.446 456 1HD1 ILE 63 1HD1 ILE 63 -4.415 3.940 1.358 457 2HD1 ILE 63 2HD1 ILE 63 -3.525 5.228 0.509 458 3HD1 ILE 63 3HD1 ILE 63 -3.353 3.534 -0.012 459 H ASP 64 H ASP 64 -5.273 2.206 4.575 460 HA ASP 64 HA ASP 64 -4.201 0.208 6.404 461 1HB ASP 64 1HB ASP 64 -7.051 1.285 6.172 462 2HB ASP 64 2HB ASP 64 -6.483 0.157 7.388 463 H PHE 65 H PHE 65 -6.366 -1.578 6.498 464 HA PHE 65 HA PHE 65 -6.111 -2.891 3.988 465 1HB PHE 65 1HB PHE 65 -6.329 -3.816 6.438 466 2HB PHE 65 2HB PHE 65 -8.035 -3.434 6.320 467 HD1 PHE 65 HD2 PHE 65 -5.714 -4.942 3.816 468 HD2 PHE 65 HD1 PHE 65 -9.165 -5.450 6.233 469 HE1 PHE 65 HE2 PHE 65 -6.139 -7.170 2.741 470 HE2 PHE 65 HE1 PHE 65 -9.590 -7.678 5.157 471 HZ PHE 65 HZ PHE 65 -8.071 -8.512 3.424 472 HA PRO 66 HA PRO 66 -10.688 -1.652 3.769 473 1HB PRO 66 1HB PRO 66 -11.621 0.327 5.406 474 2HB PRO 66 2HB PRO 66 -11.802 -1.378 5.766 475 1HG PRO 66 1HG PRO 66 -9.944 0.582 6.968 476 2HG PRO 66 2HG PRO 66 -10.438 -0.983 7.583 477 1HD PRO 66 1HD PRO 66 -7.940 -0.343 6.327 478 2HD PRO 66 2HD PRO 66 -8.480 -1.930 6.837 479 H GLU 67 H GLU 67 -8.064 0.403 3.964 480 HA GLU 67 HA GLU 67 -9.412 2.380 2.333 481 1HB GLU 67 1HB GLU 67 -6.532 2.528 3.276 482 2HB GLU 67 2HB GLU 67 -7.595 3.847 2.828 483 1HG GLU 67 1HG GLU 67 -8.505 2.099 5.097 484 2HG GLU 67 2HG GLU 67 -7.131 3.141 5.412 485 H PHE 68 H PHE 68 -7.071 -0.265 2.211 486 HA PHE 68 HA PHE 68 -6.199 0.521 -0.445 487 1HB PHE 68 1HB PHE 68 -4.396 -0.363 0.812 488 2HB PHE 68 2HB PHE 68 -5.445 -1.388 1.770 489 HD1 PHE 68 HD1 PHE 68 -6.418 -3.475 0.632 490 HD2 PHE 68 HD2 PHE 68 -3.171 -1.261 -0.966 491 HE1 PHE 68 HE1 PHE 68 -5.751 -5.456 -0.756 492 HE2 PHE 68 HE2 PHE 68 -2.503 -3.242 -2.355 493 HZ PHE 68 HZ PHE 68 -3.801 -5.316 -2.233 494 H LEU 69 H LEU 69 -8.173 -1.949 1.253 495 HA LEU 69 HA LEU 69 -8.482 -3.881 -0.561 496 1HB LEU 69 1HB LEU 69 -10.352 -2.551 1.340 497 2HB LEU 69 2HB LEU 69 -11.022 -3.697 0.197 498 HG LEU 69 HG LEU 69 -8.691 -4.397 1.988 499 1HD1 LEU 69 1HD1 LEU 69 -11.532 -4.077 2.687 500 2HD1 LEU 69 2HD1 LEU 69 -10.827 -5.648 3.141 501 3HD1 LEU 69 3HD1 LEU 69 -10.086 -4.138 3.723 502 1HD2 LEU 69 1HD2 LEU 69 -9.101 -5.814 -0.003 503 2HD2 LEU 69 2HD2 LEU 69 -9.312 -6.684 1.536 504 3HD2 LEU 69 3HD2 LEU 69 -10.737 -6.155 0.609 505 H THR 70 H THR 70 -9.850 -0.565 -0.756 506 HA THR 70 HA THR 70 -11.500 -0.985 -2.964 507 HB THR 70 HB THR 70 -11.607 1.015 -1.526 508 HG1 THR 70 HG1 THR 70 -11.598 2.510 -3.362 509 1HG2 THR 70 2HG2 THR 70 -8.928 1.078 -1.374 510 2HG2 THR 70 3HG2 THR 70 -9.094 2.093 -2.826 511 3HG2 THR 70 1HG2 THR 70 -9.868 2.587 -1.301 512 H MET 71 H MET 71 -8.044 0.096 -2.835 513 HA MET 71 HA MET 71 -7.564 0.579 -5.384 514 1HB MET 71 1HB MET 71 -6.060 -0.149 -3.091 515 2HB MET 71 2HB MET 71 -5.539 -1.296 -4.309 516 1HG MET 71 1HG MET 71 -5.700 1.342 -5.518 517 2HG MET 71 2HG MET 71 -4.764 1.454 -4.041 518 1HE MET 71 1HE MET 71 -3.535 2.327 -6.114 519 2HE MET 71 2HE MET 71 -1.995 1.469 -6.358 520 3HE MET 71 3HE MET 71 -3.296 1.323 -7.564 521 H MET 72 H MET 72 -7.618 -2.755 -3.943 522 HA MET 72 HA MET 72 -7.031 -4.053 -6.318 523 1HB MET 72 1HB MET 72 -8.598 -4.928 -3.830 524 2HB MET 72 2HB MET 72 -8.084 -6.047 -5.077 525 1HG MET 72 1HG MET 72 -5.853 -4.348 -4.188 526 2HG MET 72 2HG MET 72 -6.572 -5.208 -2.841 527 1HE MET 72 2HE MET 72 -4.233 -4.978 -5.259 528 2HE MET 72 3HE MET 72 -3.455 -6.575 -5.365 529 3HE MET 72 1HE MET 72 -4.701 -6.112 -6.549 530 H ALA 73 H ALA 73 -10.204 -3.320 -4.720 531 HA ALA 73 HA ALA 73 -11.836 -4.615 -6.528 532 1HB ALA 73 1HB ALA 73 -12.114 -2.277 -4.651 533 2HB ALA 73 2HB ALA 73 -13.446 -2.657 -5.769 534 3HB ALA 73 3HB ALA 73 -12.894 -3.876 -4.595 535 H ARG 74 H ARG 74 -10.410 -1.298 -6.614 536 HA ARG 74 HA ARG 74 -11.238 -1.231 -9.405 537 1HB ARG 74 1HB ARG 74 -10.966 1.143 -7.491 538 2HB ARG 74 2HB ARG 74 -11.404 1.261 -9.184 539 1HG ARG 74 1HG ARG 74 -13.552 1.167 -8.388 540 2HG ARG 74 2HG ARG 74 -13.271 -0.563 -8.359 541 1HD ARG 74 1HD ARG 74 -14.186 0.253 -6.186 542 2HD ARG 74 2HD ARG 74 -12.600 -0.464 -5.985 543 HE ARG 74 HE ARG 74 -11.729 1.642 -5.414 544 1HH1 ARG 74 2HH2 ARG 74 -14.923 2.033 -6.837 545 2HH1 ARG 74 1HH2 ARG 74 -15.035 3.715 -6.438 546 1HH2 ARG 74 2HH1 ARG 74 -11.876 3.861 -4.887 547 2HH2 ARG 74 1HH1 ARG 74 -13.290 4.762 -5.321 548 H LYS 75 H LYS 75 -9.049 -2.316 -9.684 549 HA LYS 75 HA LYS 75 -6.671 -1.164 -8.892 550 1HB LYS 75 1HB LYS 75 -5.811 -2.934 -9.943 551 2HB LYS 75 2HB LYS 75 -7.459 -3.400 -10.309 552 1HG LYS 75 1HG LYS 75 -7.232 -1.818 -12.388 553 2HG LYS 75 2HG LYS 75 -5.509 -1.874 -12.074 554 1HD LYS 75 1HD LYS 75 -5.435 -4.281 -12.370 555 2HD LYS 75 2HD LYS 75 -7.183 -4.407 -12.344 556 1HE LYS 75 1HE LYS 75 -5.935 -2.635 -14.444 557 2HE LYS 75 2HE LYS 75 -5.800 -4.369 -14.656 558 1HZ LYS 75 1HZ LYS 75 -8.415 -3.535 -13.902 559 2HZ LYS 75 2HZ LYS 75 -7.932 -2.894 -15.324 560 3HZ LYS 75 3HZ LYS 75 -7.947 -4.514 -15.122 No H/Q in entry = 560 Start of MODEL 20 1 H MET 0 H MET 0 -27.059 -24.263 -4.790 2 HA MET 0 HA MET 0 -29.452 -22.692 -4.228 3 1HB MET 0 1HB MET 0 -29.576 -23.924 -2.030 4 2HB MET 0 2HB MET 0 -29.758 -25.010 -3.393 5 1HG MET 0 1HG MET 0 -27.234 -25.471 -3.234 6 2HG MET 0 2HG MET 0 -27.234 -24.567 -1.733 7 1HE MET 0 1HE MET 0 -27.023 -27.862 -2.989 8 2HE MET 0 2HE MET 0 -28.349 -28.857 -2.340 9 3HE MET 0 3HE MET 0 -28.672 -27.681 -3.636 10 H ALA 1 H ALA 1 -27.096 -21.398 -4.852 11 HA ALA 1 HA ALA 1 -26.674 -19.681 -2.819 12 1HB ALA 1 1HB ALA 1 -25.177 -22.219 -2.415 13 2HB ALA 1 2HB ALA 1 -24.228 -20.725 -2.221 14 3HB ALA 1 3HB ALA 1 -25.685 -20.988 -1.233 15 H ASP 2 H ASP 2 -25.066 -18.087 -3.372 16 HA ASP 2 HA ASP 2 -23.128 -18.514 -5.283 17 1HB ASP 2 1HB ASP 2 -25.265 -18.717 -6.720 18 2HB ASP 2 2HB ASP 2 -25.540 -17.017 -6.397 19 H GLN 3 H GLN 3 -22.126 -17.199 -3.556 20 HA GLN 3 HA GLN 3 -21.991 -14.526 -4.116 21 1HB GLN 3 1HB GLN 3 -24.390 -14.845 -2.931 22 2HB GLN 3 2HB GLN 3 -23.418 -14.739 -1.477 23 1HG GLN 3 1HG GLN 3 -22.361 -12.643 -2.893 24 2HG GLN 3 2HG GLN 3 -23.992 -12.643 -3.535 25 1HE2 GLN 3 2HE2 GLN 3 -25.495 -11.212 -0.770 26 2HE2 GLN 3 1HE2 GLN 3 -25.571 -11.747 -2.416 27 H LEU 4 H LEU 4 -20.010 -13.896 -3.340 28 HA LEU 4 HA LEU 4 -18.697 -15.676 -1.496 29 1HB LEU 4 1HB LEU 4 -16.765 -14.102 -1.940 30 2HB LEU 4 2HB LEU 4 -17.360 -15.060 -3.281 31 HG LEU 4 HG LEU 4 -18.612 -12.403 -3.082 32 1HD1 LEU 4 3HD1 LEU 4 -16.340 -11.874 -2.257 33 2HD1 LEU 4 1HD1 LEU 4 -15.661 -12.562 -3.752 34 3HD1 LEU 4 2HD1 LEU 4 -16.705 -11.122 -3.828 35 1HD2 LEU 4 3HD2 LEU 4 -18.894 -13.992 -4.971 36 2HD2 LEU 4 1HD2 LEU 4 -18.285 -12.394 -5.467 37 3HD2 LEU 4 2HD2 LEU 4 -17.171 -13.779 -5.364 38 H THR 5 H THR 5 -17.171 -14.368 0.183 39 HA THR 5 HA THR 5 -18.580 -12.158 1.401 40 HB THR 5 HB THR 5 -19.388 -13.293 3.272 41 HG1 THR 5 HG1 THR 5 -17.347 -15.303 2.626 42 1HG2 THR 5 3HG2 THR 5 -19.069 -15.637 1.323 43 2HG2 THR 5 1HG2 THR 5 -20.150 -15.604 2.736 44 3HG2 THR 5 2HG2 THR 5 -20.454 -14.520 1.357 45 H GLU 6 H GLU 6 -17.292 -12.258 3.913 46 HA GLU 6 HA GLU 6 -14.998 -10.974 3.380 47 1HB GLU 6 1HB GLU 6 -15.774 -12.649 5.799 48 2HB GLU 6 2HB GLU 6 -14.323 -11.667 5.772 49 1HG GLU 6 1HG GLU 6 -15.846 -9.684 5.099 50 2HG GLU 6 2HG GLU 6 -17.206 -10.714 5.498 51 H GLU 7 H GLU 7 -15.552 -14.486 3.509 52 HA GLU 7 HA GLU 7 -13.178 -15.546 3.938 53 1HB GLU 7 1HB GLU 7 -15.071 -16.249 1.654 54 2HB GLU 7 2HB GLU 7 -13.770 -17.289 2.197 55 1HG GLU 7 1HG GLU 7 -15.292 -16.453 4.515 56 2HG GLU 7 2HG GLU 7 -16.413 -17.035 3.301 57 H GLN 8 H GLN 8 -14.156 -13.814 0.935 58 HA GLN 8 HA GLN 8 -11.819 -14.422 -0.463 59 1HB GLN 8 1HB GLN 8 -14.240 -12.911 -0.880 60 2HB GLN 8 2HB GLN 8 -12.886 -11.898 -1.340 61 1HG GLN 8 1HG GLN 8 -13.222 -13.058 -3.334 62 2HG GLN 8 2HG GLN 8 -12.027 -14.092 -2.577 63 1HE2 GLN 8 2HE2 GLN 8 -14.246 -16.746 -1.753 64 2HE2 GLN 8 1HE2 GLN 8 -12.816 -15.899 -1.264 65 H ILE 9 H ILE 9 -12.836 -11.572 1.527 66 HA ILE 9 HA ILE 9 -10.632 -9.985 1.087 67 HB ILE 9 HB ILE 9 -12.921 -9.843 2.551 68 1HG1 ILE 9 1HG1 ILE 9 -11.623 -7.639 3.433 69 2HG1 ILE 9 2HG1 ILE 9 -10.539 -8.114 2.140 70 1HG2 ILE 9 1HG2 ILE 9 -10.618 -10.035 4.506 71 2HG2 ILE 9 2HG2 ILE 9 -12.194 -9.299 4.883 72 3HG2 ILE 9 3HG2 ILE 9 -12.097 -11.025 4.459 73 1HD1 ILE 9 3HD1 ILE 9 -13.458 -8.215 1.485 74 2HD1 ILE 9 1HD1 ILE 9 -12.758 -6.597 1.730 75 3HD1 ILE 9 2HD1 ILE 9 -12.085 -7.678 0.486 76 H ALA 10 H ALA 10 -11.143 -12.507 3.646 77 HA ALA 10 HA ALA 10 -8.895 -12.308 5.071 78 1HB ALA 10 1HB ALA 10 -10.415 -14.700 4.017 79 2HB ALA 10 2HB ALA 10 -8.991 -14.918 5.062 80 3HB ALA 10 3HB ALA 10 -10.402 -14.011 5.658 81 H GLU 11 H GLU 11 -9.180 -13.541 1.713 82 HA GLU 11 HA GLU 11 -6.536 -14.472 1.609 83 1HB GLU 11 1HB GLU 11 -8.398 -13.643 -0.662 84 2HB GLU 11 2HB GLU 11 -6.939 -14.596 -0.844 85 1HG GLU 11 1HG GLU 11 -7.871 -16.418 0.495 86 2HG GLU 11 2HG GLU 11 -9.256 -15.445 0.952 87 H PHE 12 H PHE 12 -8.167 -11.436 0.479 88 HA PHE 12 HA PHE 12 -6.040 -10.240 -0.742 89 1HB PHE 12 1HB PHE 12 -8.440 -9.357 0.913 90 2HB PHE 12 2HB PHE 12 -7.305 -8.124 0.400 91 HD1 PHE 12 HD1 PHE 12 -9.545 -10.790 -0.875 92 HD2 PHE 12 HD2 PHE 12 -7.383 -7.254 -1.782 93 HE1 PHE 12 HE1 PHE 12 -10.693 -10.660 -3.103 94 HE2 PHE 12 HE2 PHE 12 -8.530 -7.123 -4.011 95 HZ PHE 12 HZ PHE 12 -10.172 -8.828 -4.645 96 H LYS 13 H LYS 13 -6.645 -10.732 2.725 97 HA LYS 13 HA LYS 13 -5.221 -8.822 3.941 98 1HB LYS 13 1HB LYS 13 -5.281 -11.795 4.513 99 2HB LYS 13 2HB LYS 13 -4.561 -10.625 5.600 100 1HG LYS 13 1HG LYS 13 -6.859 -9.355 5.397 101 2HG LYS 13 2HG LYS 13 -7.470 -10.872 4.765 102 1HD LYS 13 1HD LYS 13 -7.238 -11.985 6.798 103 2HD LYS 13 2HD LYS 13 -5.856 -11.028 7.294 104 1HE LYS 13 1HE LYS 13 -7.287 -9.108 7.819 105 2HE LYS 13 2HE LYS 13 -8.687 -9.897 7.122 106 1HZ LYS 13 1HZ LYS 13 -7.642 -11.624 8.992 107 2HZ LYS 13 2HZ LYS 13 -7.667 -10.154 9.702 108 3HZ LYS 13 3HZ LYS 13 -9.041 -10.787 9.086 109 H GLU 14 H GLU 14 -3.696 -11.915 2.777 110 HA GLU 14 HA GLU 14 -1.137 -11.230 3.248 111 1HB GLU 14 1HB GLU 14 -2.248 -12.815 0.891 112 2HB GLU 14 2HB GLU 14 -0.560 -12.812 1.365 113 1HG GLU 14 1HG GLU 14 -1.635 -13.417 3.776 114 2HG GLU 14 2HG GLU 14 -2.927 -14.035 2.766 115 H ALA 15 H ALA 15 -3.169 -10.355 0.402 116 HA ALA 15 HA ALA 15 -1.264 -9.288 -1.240 117 1HB ALA 15 3HB ALA 15 -3.869 -9.587 -1.446 118 2HB ALA 15 1HB ALA 15 -3.920 -7.915 -0.838 119 3HB ALA 15 2HB ALA 15 -3.057 -8.286 -2.350 120 H PHE 16 H PHE 16 -3.170 -7.528 1.312 121 HA PHE 16 HA PHE 16 -1.913 -5.106 1.053 122 1HB PHE 16 1HB PHE 16 -3.950 -5.747 2.451 123 2HB PHE 16 2HB PHE 16 -2.893 -6.590 3.567 124 HD1 PHE 16 HD2 PHE 16 -3.387 -3.202 2.084 125 HD2 PHE 16 HD1 PHE 16 -2.123 -5.470 5.440 126 HE1 PHE 16 HE2 PHE 16 -3.092 -1.087 3.402 127 HE2 PHE 16 HE1 PHE 16 -1.827 -3.355 6.758 128 HZ PHE 16 HZ PHE 16 -2.316 -1.188 5.724 129 H SER 17 H SER 17 -0.862 -8.061 2.789 130 HA SER 17 HA SER 17 1.091 -6.918 4.338 131 1HB SER 17 1HB SER 17 0.160 -9.371 4.218 132 2HB SER 17 2HB SER 17 1.429 -9.638 3.039 133 HG SER 17 HG SER 17 1.634 -9.080 5.832 134 H LEU 18 H LEU 18 1.293 -8.332 0.997 135 HA LEU 18 HA LEU 18 3.900 -8.174 0.458 136 1HB LEU 18 1HB LEU 18 1.437 -8.047 -1.039 137 2HB LEU 18 2HB LEU 18 2.657 -7.041 -1.796 138 HG LEU 18 HG LEU 18 4.079 -9.336 -1.282 139 1HD1 LEU 18 3HD1 LEU 18 1.193 -10.065 -1.686 140 2HD1 LEU 18 1HD1 LEU 18 2.486 -11.109 -2.325 141 3HD1 LEU 18 2HD1 LEU 18 2.401 -10.765 -0.581 142 1HD2 LEU 18 2HD2 LEU 18 2.785 -8.089 -3.632 143 2HD2 LEU 18 3HD2 LEU 18 4.478 -8.568 -3.362 144 3HD2 LEU 18 1HD2 LEU 18 3.269 -9.791 -3.822 145 H PHE 19 H PHE 19 1.609 -5.365 0.314 146 HA PHE 19 HA PHE 19 3.719 -3.544 -0.245 147 1HB PHE 19 1HB PHE 19 0.789 -3.400 0.653 148 2HB PHE 19 2HB PHE 19 1.727 -1.937 0.428 149 HD1 PHE 19 HD2 PHE 19 2.713 -1.483 -1.871 150 HD2 PHE 19 HD1 PHE 19 -0.212 -4.480 -1.181 151 HE1 PHE 19 HE2 PHE 19 2.152 -1.499 -4.317 152 HE2 PHE 19 HE1 PHE 19 -0.772 -4.496 -3.628 153 HZ PHE 19 HZ PHE 19 0.417 -3.005 -5.167 154 H ASP 20 H ASP 20 1.808 -4.472 2.680 155 HA ASP 20 HA ASP 20 3.210 -2.558 4.255 156 1HB ASP 20 1HB ASP 20 0.907 -3.067 4.838 157 2HB ASP 20 2HB ASP 20 1.232 -4.789 4.882 158 H LYS 21 H LYS 21 5.443 -3.155 4.335 159 HA LYS 21 HA LYS 21 6.295 -5.827 4.567 160 1HB LYS 21 1HB LYS 21 7.654 -4.020 3.592 161 2HB LYS 21 2HB LYS 21 7.757 -3.235 5.155 162 1HG LYS 21 1HG LYS 21 8.522 -6.079 5.304 163 2HG LYS 21 2HG LYS 21 9.511 -5.197 4.157 164 1HD LYS 21 1HD LYS 21 9.386 -3.425 6.307 165 2HD LYS 21 2HD LYS 21 9.407 -4.980 7.113 166 1HE LYS 21 1HE LYS 21 11.482 -5.622 6.026 167 2HE LYS 21 2HE LYS 21 11.394 -4.273 4.911 168 1HZ LYS 21 1HZ LYS 21 11.356 -2.955 7.152 169 2HZ LYS 21 2HZ LYS 21 12.138 -4.279 7.703 170 3HZ LYS 21 3HZ LYS 21 12.761 -3.420 6.462 171 H ASP 22 H ASP 22 6.380 -3.117 6.995 172 HA ASP 22 HA ASP 22 7.161 -4.559 9.116 173 1HB ASP 22 1HB ASP 22 4.935 -2.483 9.273 174 2HB ASP 22 2HB ASP 22 6.122 -2.852 10.508 175 H GLY 23 H GLY 23 4.102 -4.662 7.375 176 1HA GLY 23 1HA GLY 23 2.232 -5.883 7.615 177 2HA GLY 23 2HA GLY 23 3.184 -6.996 8.579 178 H ASP 24 H ASP 24 3.139 -3.699 9.739 179 HA ASP 24 HA ASP 24 2.085 -4.423 12.169 180 1HB ASP 24 1HB ASP 24 1.799 -1.920 12.498 181 2HB ASP 24 2HB ASP 24 3.399 -2.410 11.977 182 H GLY 25 H GLY 25 0.604 -3.398 9.104 183 1HA GLY 25 1HA GLY 25 -1.727 -4.200 8.881 184 2HA GLY 25 2HA GLY 25 -2.059 -3.383 10.395 185 H THR 26 H THR 26 0.302 -1.589 8.737 186 HA THR 26 HA THR 26 -1.681 -0.046 7.229 187 HB THR 26 HB THR 26 -0.662 2.038 8.291 188 HG1 THR 26 HG1 THR 26 0.511 1.407 10.349 189 1HG2 THR 26 2HG2 THR 26 -1.889 -0.009 10.214 190 2HG2 THR 26 3HG2 THR 26 -1.689 1.722 10.575 191 3HG2 THR 26 1HG2 THR 26 -2.783 1.206 9.269 192 H ILE 27 H ILE 27 -0.863 1.111 5.451 193 HA ILE 27 HA ILE 27 1.894 0.342 4.783 194 HB ILE 27 HB ILE 27 -0.520 0.678 3.002 195 1HG1 ILE 27 1HG1 ILE 27 1.179 -1.780 3.496 196 2HG1 ILE 27 2HG1 ILE 27 -0.307 -1.443 4.362 197 1HG2 ILE 27 1HG2 ILE 27 1.580 1.592 2.004 198 2HG2 ILE 27 2HG2 ILE 27 2.303 -0.026 2.168 199 3HG2 ILE 27 3HG2 ILE 27 0.883 0.212 1.121 200 1HD1 ILE 27 1HD1 ILE 27 -1.531 -1.311 2.167 201 2HD1 ILE 27 2HD1 ILE 27 -0.020 -1.760 1.339 202 3HD1 ILE 27 3HD1 ILE 27 -0.796 -2.906 2.458 203 H THR 28 H THR 28 3.314 1.991 4.667 204 HA THR 28 HA THR 28 2.208 4.699 4.550 205 HB THR 28 HB THR 28 3.727 4.062 6.437 206 HG1 THR 28 HG1 THR 28 3.883 6.239 5.729 207 1HG2 THR 28 2HG2 THR 28 5.547 3.364 4.107 208 2HG2 THR 28 3HG2 THR 28 6.252 4.000 5.612 209 3HG2 THR 28 1HG2 THR 28 5.313 2.488 5.639 210 H THR 29 H THR 29 4.793 5.809 3.627 211 HA THR 29 HA THR 29 4.218 5.579 0.810 212 HB THR 29 HB THR 29 6.184 7.335 0.848 213 HG1 THR 29 HG1 THR 29 6.956 7.628 2.907 214 1HG2 THR 29 2HG2 THR 29 3.572 7.768 2.385 215 2HG2 THR 29 3HG2 THR 29 4.701 9.083 1.980 216 3HG2 THR 29 1HG2 THR 29 3.889 8.175 0.682 217 H LYS 30 H LYS 30 7.146 5.050 2.891 218 HA LYS 30 HA LYS 30 8.728 4.019 0.881 219 1HB LYS 30 1HB LYS 30 9.147 4.668 3.430 220 2HB LYS 30 2HB LYS 30 8.964 2.941 3.662 221 1HG LYS 30 1HG LYS 30 10.796 2.430 2.198 222 2HG LYS 30 2HG LYS 30 10.792 4.033 1.491 223 1HD LYS 30 1HD LYS 30 11.908 4.997 3.298 224 2HD LYS 30 2HD LYS 30 11.238 3.870 4.459 225 1HE LYS 30 1HE LYS 30 12.941 2.356 4.172 226 2HE LYS 30 2HE LYS 30 12.976 2.572 2.433 227 1HZ LYS 30 2HZ LYS 30 14.067 4.739 2.880 228 2HZ LYS 30 3HZ LYS 30 14.202 4.312 4.450 229 3HZ LYS 30 1HZ LYS 30 14.959 3.437 3.298 230 H GLU 31 H GLU 31 6.792 2.157 3.336 231 HA GLU 31 HA GLU 31 7.242 -0.310 2.437 232 1HB GLU 31 1HB GLU 31 4.593 0.856 3.396 233 2HB GLU 31 2HB GLU 31 4.906 -0.863 3.260 234 1HG GLU 31 1HG GLU 31 6.815 -0.657 4.851 235 2HG GLU 31 2HG GLU 31 6.543 1.071 4.968 236 H LEU 32 H LEU 32 5.174 2.178 0.925 237 HA LEU 32 HA LEU 32 4.004 0.356 -0.935 238 1HB LEU 32 1HB LEU 32 3.257 2.727 0.029 239 2HB LEU 32 2HB LEU 32 4.073 3.291 -1.415 240 HG LEU 32 HG LEU 32 2.464 1.216 -2.347 241 1HD1 LEU 32 1HD1 LEU 32 1.278 2.400 0.077 242 2HD1 LEU 32 2HD1 LEU 32 0.214 2.385 -1.350 243 3HD1 LEU 32 3HD1 LEU 32 0.924 0.866 -0.753 244 1HD2 LEU 32 1HD2 LEU 32 2.032 4.214 -2.333 245 2HD2 LEU 32 2HD2 LEU 32 2.872 3.241 -3.565 246 3HD2 LEU 32 3HD2 LEU 32 1.116 3.066 -3.339 247 H GLY 33 H GLY 33 6.521 2.966 -1.126 248 1HA GLY 33 1HA GLY 33 7.194 2.550 -3.809 249 2HA GLY 33 2HA GLY 33 8.202 3.290 -2.581 250 H THR 34 H THR 34 7.665 0.513 -1.041 251 HA THR 34 HA THR 34 10.160 -0.618 -1.812 252 HB THR 34 HB THR 34 8.023 -0.997 0.242 253 HG1 THR 34 HG1 THR 34 10.029 0.026 0.737 254 1HG2 THR 34 3HG2 THR 34 9.841 -3.262 -0.720 255 2HG2 THR 34 1HG2 THR 34 9.172 -3.194 0.928 256 3HG2 THR 34 2HG2 THR 34 8.080 -3.326 -0.471 257 H VAL 35 H VAL 35 6.892 -2.191 -1.763 258 HA VAL 35 HA VAL 35 7.561 -4.323 -3.318 259 HB VAL 35 HB VAL 35 5.060 -2.805 -2.748 260 1HG1 VAL 35 2HG1 VAL 35 5.377 -4.834 -4.959 261 2HG1 VAL 35 3HG1 VAL 35 3.838 -4.661 -4.080 262 3HG1 VAL 35 1HG1 VAL 35 4.514 -3.277 -4.973 263 1HG2 VAL 35 3HG2 VAL 35 6.223 -5.507 -2.144 264 2HG2 VAL 35 1HG2 VAL 35 5.511 -4.299 -1.047 265 3HG2 VAL 35 2HG2 VAL 35 4.458 -5.283 -2.091 266 H MET 36 H MET 36 7.224 -0.951 -4.238 267 HA MET 36 HA MET 36 6.721 -1.433 -6.961 268 1HB MET 36 1HB MET 36 7.967 0.964 -5.502 269 2HB MET 36 2HB MET 36 7.408 1.008 -7.162 270 1HG MET 36 1HG MET 36 5.292 -0.078 -5.493 271 2HG MET 36 2HG MET 36 5.865 1.415 -4.777 272 1HE MET 36 3HE MET 36 3.126 0.454 -6.169 273 2HE MET 36 1HE MET 36 2.729 1.301 -7.684 274 3HE MET 36 2HE MET 36 3.769 -0.143 -7.718 275 H ARG 37 H ARG 37 9.697 -0.848 -5.003 276 HA ARG 37 HA ARG 37 11.383 -0.722 -7.219 277 1HB ARG 37 1HB ARG 37 11.797 -1.232 -4.250 278 2HB ARG 37 2HB ARG 37 13.153 -1.352 -5.353 279 1HG ARG 37 1HG ARG 37 13.293 0.913 -5.614 280 2HG ARG 37 2HG ARG 37 11.562 1.086 -5.823 281 1HD ARG 37 1HD ARG 37 11.747 0.433 -3.121 282 2HD ARG 37 2HD ARG 37 13.202 1.379 -3.363 283 HE ARG 37 HE ARG 37 10.428 2.344 -3.559 284 1HH1 ARG 37 2HH2 ARG 37 13.802 2.988 -4.321 285 2HH1 ARG 37 1HH2 ARG 37 13.570 4.695 -4.494 286 1HH2 ARG 37 1HH1 ARG 37 11.462 5.617 -4.188 287 2HH2 ARG 37 2HH1 ARG 37 10.121 4.597 -3.787 288 H SER 38 H SER 38 9.824 -3.348 -5.505 289 HA SER 38 HA SER 38 11.697 -5.247 -6.657 290 1HB SER 38 1HB SER 38 9.721 -5.356 -4.374 291 2HB SER 38 2HB SER 38 10.180 -6.850 -5.165 292 HG SER 38 HG SER 38 11.506 -6.100 -3.245 293 H LEU 39 H LEU 39 10.053 -3.923 -8.509 294 HA LEU 39 HA LEU 39 8.604 -6.148 -9.575 295 1HB LEU 39 1HB LEU 39 7.104 -4.781 -7.879 296 2HB LEU 39 2HB LEU 39 6.938 -3.694 -9.244 297 HG LEU 39 HG LEU 39 6.478 -6.303 -10.251 298 1HD1 LEU 39 2HD1 LEU 39 6.127 -6.678 -7.666 299 2HD1 LEU 39 3HD1 LEU 39 4.558 -5.902 -7.992 300 3HD1 LEU 39 1HD1 LEU 39 5.015 -7.387 -8.862 301 1HD2 LEU 39 2HD2 LEU 39 5.517 -4.036 -10.910 302 2HD2 LEU 39 3HD2 LEU 39 4.406 -5.427 -10.935 303 3HD2 LEU 39 1HD2 LEU 39 4.351 -4.268 -9.585 304 H GLY 40 H GLY 40 9.383 -2.626 -9.685 305 1HA GLY 40 1HA GLY 40 10.887 -2.274 -11.730 306 2HA GLY 40 2HA GLY 40 9.477 -2.805 -12.626 307 H GLN 41 H GLN 41 9.636 -0.779 -9.626 308 HA GLN 41 HA GLN 41 8.816 1.496 -11.205 309 1HB GLN 41 1HB GLN 41 7.128 0.117 -9.129 310 2HB GLN 41 2HB GLN 41 7.067 1.867 -9.199 311 1HG GLN 41 1HG GLN 41 6.131 1.897 -11.349 312 2HG GLN 41 2HG GLN 41 6.837 0.358 -11.799 313 1HE2 GLN 41 2HE2 GLN 41 3.296 0.582 -9.673 314 2HE2 GLN 41 1HE2 GLN 41 4.410 1.906 -9.755 315 H ASN 42 H ASN 42 8.498 3.463 -9.444 316 HA ASN 42 HA ASN 42 9.887 3.353 -7.091 317 1HB ASN 42 1HB ASN 42 11.795 2.998 -8.919 318 2HB ASN 42 2HB ASN 42 11.628 4.724 -9.172 319 1HD2 ASN 42 2HD2 ASN 42 14.114 3.582 -6.416 320 2HD2 ASN 42 1HD2 ASN 42 13.684 2.839 -7.921 321 HA PRO 43 HA PRO 43 7.674 7.171 -8.429 322 1HB PRO 43 1HB PRO 43 5.480 6.976 -6.812 323 2HB PRO 43 2HB PRO 43 5.498 6.422 -8.475 324 1HG PRO 43 1HG PRO 43 5.596 4.826 -5.989 325 2HG PRO 43 2HG PRO 43 5.189 4.306 -7.612 326 1HD PRO 43 1HD PRO 43 7.664 3.855 -6.235 327 2HD PRO 43 2HD PRO 43 7.298 3.437 -7.897 328 H THR 44 H THR 44 8.593 8.976 -7.712 329 HA THR 44 HA THR 44 9.976 9.174 -5.404 330 HB THR 44 HB THR 44 9.417 11.695 -5.664 331 HG1 THR 44 HG1 THR 44 7.543 11.914 -6.821 332 1HG2 THR 44 1HG2 THR 44 11.175 10.281 -7.098 333 2HG2 THR 44 2HG2 THR 44 9.974 10.501 -8.394 334 3HG2 THR 44 3HG2 THR 44 10.720 11.920 -7.621 335 H GLU 45 H GLU 45 9.603 10.258 -3.332 336 HA GLU 45 HA GLU 45 7.538 9.078 -1.982 337 1HB GLU 45 1HB GLU 45 9.614 11.099 -1.429 338 2HB GLU 45 2HB GLU 45 8.175 11.336 -0.457 339 1HG GLU 45 1HG GLU 45 8.309 8.770 0.030 340 2HG GLU 45 2HG GLU 45 9.937 8.861 -0.613 341 H ALA 46 H ALA 46 7.650 12.096 -3.828 342 HA ALA 46 HA ALA 46 5.362 13.280 -2.662 343 1HB ALA 46 1HB ALA 46 6.832 13.652 -5.297 344 2HB ALA 46 2HB ALA 46 5.460 14.667 -4.790 345 3HB ALA 46 3HB ALA 46 6.957 14.648 -3.827 346 H GLU 47 H GLU 47 5.941 11.239 -5.596 347 HA GLU 47 HA GLU 47 3.373 11.327 -6.548 348 1HB GLU 47 1HB GLU 47 5.425 10.390 -7.705 349 2HB GLU 47 2HB GLU 47 5.282 8.955 -6.709 350 1HG GLU 47 1HG GLU 47 3.838 8.108 -8.237 351 2HG GLU 47 2HG GLU 47 2.684 9.339 -7.762 352 H LEU 48 H LEU 48 4.907 8.771 -4.457 353 HA LEU 48 HA LEU 48 2.742 7.177 -4.088 354 1HB LEU 48 1HB LEU 48 4.885 7.938 -2.099 355 2HB LEU 48 2HB LEU 48 3.783 6.588 -1.910 356 HG LEU 48 HG LEU 48 5.402 6.701 -4.417 357 1HD1 LEU 48 3HD1 LEU 48 6.544 6.194 -1.674 358 2HD1 LEU 48 1HD1 LEU 48 7.242 5.455 -3.135 359 3HD1 LEU 48 2HD1 LEU 48 7.171 7.227 -2.981 360 1HD2 LEU 48 2HD2 LEU 48 3.976 4.699 -2.781 361 2HD2 LEU 48 3HD2 LEU 48 4.237 4.783 -4.540 362 3HD2 LEU 48 1HD2 LEU 48 5.521 4.156 -3.479 363 H GLN 49 H GLN 49 3.672 9.995 -1.985 364 HA GLN 49 HA GLN 49 1.708 9.977 -0.229 365 1HB GLN 49 1HB GLN 49 3.584 11.791 -0.913 366 2HB GLN 49 2HB GLN 49 2.187 12.631 -1.556 367 1HG GLN 49 1HG GLN 49 2.161 13.437 0.628 368 2HG GLN 49 2HG GLN 49 1.111 12.046 0.813 369 1HE2 GLN 49 2HE2 GLN 49 3.024 10.735 3.364 370 2HE2 GLN 49 1HE2 GLN 49 1.484 11.106 2.663 371 H ASP 50 H ASP 50 1.412 11.162 -3.631 372 HA ASP 50 HA ASP 50 -1.213 12.034 -3.350 373 1HB ASP 50 1HB ASP 50 0.765 11.937 -5.375 374 2HB ASP 50 2HB ASP 50 -0.568 11.004 -6.027 375 H MET 51 H MET 51 0.325 8.951 -4.481 376 HA MET 51 HA MET 51 -2.004 7.705 -5.295 377 1HB MET 51 1HB MET 51 0.559 6.501 -4.106 378 2HB MET 51 2HB MET 51 -0.614 5.610 -5.056 379 1HG MET 51 1HG MET 51 -0.112 6.857 -7.055 380 2HG MET 51 2HG MET 51 0.730 8.108 -6.163 381 1HE MET 51 1HE MET 51 0.930 5.859 -8.463 382 2HE MET 51 2HE MET 51 2.670 5.510 -8.605 383 3HE MET 51 3HE MET 51 1.583 4.322 -7.846 384 H ILE 52 H ILE 52 -0.392 7.916 -2.088 385 HA ILE 52 HA ILE 52 -2.139 6.020 -0.879 386 HB ILE 52 HB ILE 52 -0.173 8.031 0.206 387 1HG1 ILE 52 1HG1 ILE 52 -0.082 5.114 -0.487 388 2HG1 ILE 52 2HG1 ILE 52 1.073 6.383 -0.843 389 1HG2 ILE 52 2HG2 ILE 52 -2.316 6.805 1.602 390 2HG2 ILE 52 3HG2 ILE 52 -0.816 5.993 2.109 391 3HG2 ILE 52 1HG2 ILE 52 -0.965 7.760 2.257 392 1HD1 ILE 52 2HD1 ILE 52 1.112 6.431 1.909 393 2HD1 ILE 52 3HD1 ILE 52 0.796 4.708 1.597 394 3HD1 ILE 52 1HD1 ILE 52 2.241 5.486 0.909 395 H ASN 53 H ASN 53 -2.182 9.493 -1.556 396 HA ASN 53 HA ASN 53 -4.303 9.934 0.307 397 1HB ASN 53 1HB ASN 53 -2.822 11.632 -1.738 398 2HB ASN 53 2HB ASN 53 -4.306 12.235 -1.029 399 1HD2 ASN 53 2HD2 ASN 53 -1.303 13.362 0.929 400 2HD2 ASN 53 1HD2 ASN 53 -1.774 13.408 -0.737 401 H GLU 54 H GLU 54 -4.265 8.154 -2.373 402 HA GLU 54 HA GLU 54 -6.506 9.436 -3.691 403 1HB GLU 54 1HB GLU 54 -4.629 7.181 -4.483 404 2HB GLU 54 2HB GLU 54 -6.102 7.500 -5.378 405 1HG GLU 54 1HG GLU 54 -4.763 10.023 -4.970 406 2HG GLU 54 2HG GLU 54 -3.570 8.877 -5.548 407 H VAL 55 H VAL 55 -5.688 6.899 -1.449 408 HA VAL 55 HA VAL 55 -8.388 5.783 -1.775 409 HB VAL 55 HB VAL 55 -7.052 3.868 -0.423 410 1HG1 VAL 55 3HG1 VAL 55 -8.443 3.830 -2.602 411 2HG1 VAL 55 1HG1 VAL 55 -6.876 3.964 -3.435 412 3HG1 VAL 55 2HG1 VAL 55 -7.202 2.575 -2.371 413 1HG2 VAL 55 2HG2 VAL 55 -4.927 5.265 -0.703 414 2HG2 VAL 55 3HG2 VAL 55 -4.838 3.555 -1.191 415 3HG2 VAL 55 1HG2 VAL 55 -4.997 4.826 -2.427 416 H ASP 56 H ASP 56 -5.788 6.885 0.446 417 HA ASP 56 HA ASP 56 -7.246 6.363 2.770 418 1HB ASP 56 1HB ASP 56 -4.855 6.665 2.916 419 2HB ASP 56 2HB ASP 56 -4.925 8.213 2.098 420 H ALA 57 H ALA 57 -9.400 7.293 2.344 421 HA ALA 57 HA ALA 57 -9.642 10.060 1.680 422 1HB ALA 57 1HB ALA 57 -11.247 7.768 1.582 423 2HB ALA 57 2HB ALA 57 -12.008 8.782 2.832 424 3HB ALA 57 3HB ALA 57 -11.751 9.431 1.194 425 H ASP 58 H ASP 58 -8.849 8.331 4.520 426 HA ASP 58 HA ASP 58 -10.233 10.034 6.318 427 1HB ASP 58 1HB ASP 58 -9.561 8.513 7.882 428 2HB ASP 58 2HB ASP 58 -9.065 7.548 6.505 429 H GLY 59 H GLY 59 -7.091 9.868 4.662 430 1HA GLY 59 1HA GLY 59 -5.465 11.419 4.438 431 2HA GLY 59 2HA GLY 59 -6.429 12.550 5.367 432 H ASN 60 H ASN 60 -5.502 9.282 6.523 433 HA ASN 60 HA ASN 60 -4.459 10.409 8.879 434 1HB ASN 60 1HB ASN 60 -3.888 8.023 9.437 435 2HB ASN 60 2HB ASN 60 -5.545 8.191 8.893 436 1HD2 ASN 60 2HD2 ASN 60 -4.215 5.246 7.173 437 2HD2 ASN 60 1HD2 ASN 60 -4.617 5.763 8.776 438 H GLY 61 H GLY 61 -3.220 9.499 5.714 439 1HA GLY 61 1HA GLY 61 -1.099 10.383 5.048 440 2HA GLY 61 2HA GLY 61 -0.466 10.025 6.643 441 H THR 62 H THR 62 -1.783 7.368 6.879 442 HA THR 62 HA THR 62 -0.045 5.921 4.996 443 HB THR 62 HB THR 62 0.284 5.866 7.597 444 HG1 THR 62 HG1 THR 62 1.263 4.012 6.890 445 1HG2 THR 62 3HG2 THR 62 -2.153 5.440 8.149 446 2HG2 THR 62 1HG2 THR 62 -2.043 3.901 7.262 447 3HG2 THR 62 2HG2 THR 62 -1.077 4.149 8.736 448 H ILE 63 H ILE 63 -1.041 3.404 5.072 449 HA ILE 63 HA ILE 63 -3.830 3.737 4.222 450 HB ILE 63 HB ILE 63 -1.636 2.239 2.787 451 1HG1 ILE 63 1HG1 ILE 63 -2.342 4.926 2.637 452 2HG1 ILE 63 2HG1 ILE 63 -1.395 4.019 1.474 453 1HG2 ILE 63 3HG2 ILE 63 -4.605 2.371 2.193 454 2HG2 ILE 63 1HG2 ILE 63 -3.364 1.661 1.132 455 3HG2 ILE 63 2HG2 ILE 63 -3.688 0.942 2.727 456 1HD1 ILE 63 2HD1 ILE 63 -4.442 4.212 1.428 457 2HD1 ILE 63 3HD1 ILE 63 -3.347 5.197 0.428 458 3HD1 ILE 63 1HD1 ILE 63 -3.415 3.432 0.201 459 H ASP 64 H ASP 64 -5.232 2.059 4.782 460 HA ASP 64 HA ASP 64 -4.011 0.127 6.583 461 1HB ASP 64 1HB ASP 64 -6.918 1.036 6.336 462 2HB ASP 64 2HB ASP 64 -6.326 -0.117 7.516 463 H PHE 65 H PHE 65 -6.182 -1.744 6.654 464 HA PHE 65 HA PHE 65 -5.745 -3.101 4.184 465 1HB PHE 65 1HB PHE 65 -5.925 -4.167 6.477 466 2HB PHE 65 2HB PHE 65 -7.571 -3.582 6.616 467 HD1 PHE 65 HD2 PHE 65 -5.901 -5.180 3.695 468 HD2 PHE 65 HD1 PHE 65 -8.866 -5.511 6.713 469 HE1 PHE 65 HE2 PHE 65 -6.742 -7.295 2.638 470 HE2 PHE 65 HE1 PHE 65 -9.707 -7.626 5.655 471 HZ PHE 65 HZ PHE 65 -8.635 -8.493 3.630 472 HA PRO 66 HA PRO 66 -10.358 -2.062 3.761 473 1HB PRO 66 1HB PRO 66 -11.434 -0.089 5.316 474 2HB PRO 66 2HB PRO 66 -11.560 -1.793 5.706 475 1HG PRO 66 1HG PRO 66 -9.832 0.268 6.935 476 2HG PRO 66 2HG PRO 66 -10.286 -1.303 7.566 477 1HD PRO 66 1HD PRO 66 -7.768 -0.586 6.393 478 2HD PRO 66 2HD PRO 66 -8.263 -2.183 6.918 479 H GLU 67 H GLU 67 -7.874 0.186 4.103 480 HA GLU 67 HA GLU 67 -9.220 2.060 2.374 481 1HB GLU 67 1HB GLU 67 -6.360 2.289 3.361 482 2HB GLU 67 2HB GLU 67 -7.446 3.577 2.880 483 1HG GLU 67 1HG GLU 67 -8.346 1.829 5.155 484 2HG GLU 67 2HG GLU 67 -7.011 2.917 5.478 485 H PHE 68 H PHE 68 -6.777 -0.502 2.320 486 HA PHE 68 HA PHE 68 -5.865 0.281 -0.314 487 1HB PHE 68 1HB PHE 68 -4.085 -0.635 0.932 488 2HB PHE 68 2HB PHE 68 -5.159 -1.598 1.927 489 HD1 PHE 68 HD2 PHE 68 -6.195 -3.695 0.849 490 HD2 PHE 68 HD1 PHE 68 -2.866 -1.636 -0.791 491 HE1 PHE 68 HE2 PHE 68 -5.574 -5.743 -0.463 492 HE2 PHE 68 HE1 PHE 68 -2.245 -3.684 -2.102 493 HZ PHE 68 HZ PHE 68 -3.606 -5.713 -1.923 494 H LEU 69 H LEU 69 -8.073 -2.011 1.263 495 HA LEU 69 HA LEU 69 -8.275 -3.985 -0.596 496 1HB LEU 69 1HB LEU 69 -10.172 -2.702 1.314 497 2HB LEU 69 2HB LEU 69 -10.817 -3.829 0.137 498 HG LEU 69 HG LEU 69 -8.486 -4.588 1.892 499 1HD1 LEU 69 1HD1 LEU 69 -11.340 -4.284 2.661 500 2HD1 LEU 69 2HD1 LEU 69 -10.510 -5.765 3.196 501 3HD1 LEU 69 3HD1 LEU 69 -9.860 -4.170 3.643 502 1HD2 LEU 69 2HD2 LEU 69 -9.045 -5.974 -0.099 503 2HD2 LEU 69 3HD2 LEU 69 -9.179 -6.845 1.448 504 3HD2 LEU 69 1HD2 LEU 69 -10.647 -6.282 0.614 505 H THR 70 H THR 70 -9.510 -0.631 -0.746 506 HA THR 70 HA THR 70 -11.099 -1.061 -3.061 507 HB THR 70 HB THR 70 -11.647 0.803 -1.655 508 HG1 THR 70 HG1 THR 70 -11.517 2.354 -3.304 509 1HG2 THR 70 1HG2 THR 70 -8.660 1.371 -1.784 510 2HG2 THR 70 2HG2 THR 70 -9.813 2.686 -1.455 511 3HG2 THR 70 3HG2 THR 70 -9.711 1.294 -0.350 512 H MET 71 H MET 71 -7.684 -0.152 -2.489 513 HA MET 71 HA MET 71 -7.087 0.747 -4.989 514 1HB MET 71 1HB MET 71 -5.718 -0.065 -2.609 515 2HB MET 71 2HB MET 71 -4.962 -0.973 -3.904 516 1HG MET 71 1HG MET 71 -5.342 1.733 -4.840 517 2HG MET 71 2HG MET 71 -4.621 1.818 -3.245 518 1HE MET 71 3HE MET 71 -2.624 1.877 -2.805 519 2HE MET 71 1HE MET 71 -1.863 0.269 -2.864 520 3HE MET 71 2HE MET 71 -1.205 1.602 -3.843 521 H MET 72 H MET 72 -7.063 -2.657 -3.744 522 HA MET 72 HA MET 72 -6.112 -3.768 -6.106 523 1HB MET 72 1HB MET 72 -7.856 -4.893 -3.846 524 2HB MET 72 2HB MET 72 -7.142 -5.900 -5.090 525 1HG MET 72 1HG MET 72 -5.148 -4.105 -3.870 526 2HG MET 72 2HG MET 72 -5.923 -5.122 -2.671 527 1HE MET 72 3HE MET 72 -3.844 -4.579 -5.506 528 2HE MET 72 1HE MET 72 -2.573 -5.455 -4.621 529 3HE MET 72 2HE MET 72 -3.244 -6.137 -6.122 530 H ALA 73 H ALA 73 -9.473 -3.291 -4.838 531 HA ALA 73 HA ALA 73 -10.794 -4.597 -6.904 532 1HB ALA 73 2HB ALA 73 -11.416 -2.667 -4.740 533 2HB ALA 73 3HB ALA 73 -12.539 -2.635 -6.120 534 3HB ALA 73 1HB ALA 73 -12.267 -4.152 -5.229 535 H ARG 74 H ARG 74 -9.741 -1.155 -6.537 536 HA ARG 74 HA ARG 74 -10.463 -0.815 -9.332 537 1HB ARG 74 1HB ARG 74 -10.492 1.620 -8.860 538 2HB ARG 74 2HB ARG 74 -11.549 0.774 -7.747 539 1HG ARG 74 1HG ARG 74 -10.310 1.389 -5.935 540 2HG ARG 74 2HG ARG 74 -8.804 0.926 -6.703 541 1HD ARG 74 1HD ARG 74 -8.314 3.090 -7.204 542 2HD ARG 74 2HD ARG 74 -9.856 3.313 -8.005 543 HE ARG 74 HE ARG 74 -10.443 3.336 -5.257 544 1HH1 ARG 74 2HH2 ARG 74 -8.442 5.221 -7.453 545 2HH1 ARG 74 1HH2 ARG 74 -8.575 6.679 -6.528 546 1HH2 ARG 74 2HH1 ARG 74 -10.620 5.260 -4.035 547 2HH2 ARG 74 1HH1 ARG 74 -9.822 6.701 -4.571 548 H LYS 75 H LYS 75 -8.242 -2.204 -9.350 549 HA LYS 75 HA LYS 75 -5.860 -0.814 -8.787 550 1HB LYS 75 1HB LYS 75 -4.998 -2.834 -9.134 551 2HB LYS 75 2HB LYS 75 -6.610 -3.411 -9.507 552 1HG LYS 75 1HG LYS 75 -6.191 -2.548 -11.922 553 2HG LYS 75 2HG LYS 75 -4.510 -2.380 -11.458 554 1HD LYS 75 1HD LYS 75 -4.400 -4.790 -10.871 555 2HD LYS 75 2HD LYS 75 -6.103 -4.978 -11.239 556 1HE LYS 75 1HE LYS 75 -4.386 -3.791 -13.402 557 2HE LYS 75 2HE LYS 75 -4.140 -5.490 -13.050 558 1HZ LYS 75 1HZ LYS 75 -6.809 -4.369 -13.509 559 2HZ LYS 75 2HZ LYS 75 -5.884 -4.950 -14.723 560 3HZ LYS 75 3HZ LYS 75 -6.369 -5.942 -13.519 No H/Q in entry = 560 Start of MODEL 21 1 H MET 0 H MET 0 -28.230 -24.118 -6.251 2 HA MET 0 HA MET 0 -30.536 -22.666 -6.172 3 1HB MET 0 1HB MET 0 -29.118 -24.598 -4.552 4 2HB MET 0 2HB MET 0 -29.669 -23.334 -3.471 5 1HG MET 0 1HG MET 0 -31.696 -24.374 -3.485 6 2HG MET 0 2HG MET 0 -31.901 -23.753 -5.111 7 1HE MET 0 1HE MET 0 -32.226 -24.964 -6.995 8 2HE MET 0 2HE MET 0 -30.510 -25.337 -7.286 9 3HE MET 0 3HE MET 0 -31.729 -26.630 -7.376 10 H ALA 1 H ALA 1 -27.344 -21.570 -5.543 11 HA ALA 1 HA ALA 1 -28.018 -18.965 -5.116 12 1HB ALA 1 3HB ALA 1 -28.056 -20.612 -2.607 13 2HB ALA 1 1HB ALA 1 -27.343 -18.983 -2.533 14 3HB ALA 1 2HB ALA 1 -29.032 -19.192 -3.052 15 H ASP 2 H ASP 2 -26.081 -17.647 -4.418 16 HA ASP 2 HA ASP 2 -23.651 -18.961 -3.984 17 1HB ASP 2 1HB ASP 2 -24.474 -18.472 -6.777 18 2HB ASP 2 2HB ASP 2 -22.955 -17.685 -6.395 19 H GLN 3 H GLN 3 -22.412 -17.400 -2.909 20 HA GLN 3 HA GLN 3 -22.176 -14.788 -3.831 21 1HB GLN 3 1HB GLN 3 -24.587 -15.028 -2.600 22 2HB GLN 3 2HB GLN 3 -23.596 -14.690 -1.194 23 1HG GLN 3 1HG GLN 3 -22.793 -12.603 -2.151 24 2HG GLN 3 2HG GLN 3 -23.478 -12.983 -3.719 25 1HE2 GLN 3 2HE2 GLN 3 -26.382 -11.249 -3.050 26 2HE2 GLN 3 1HE2 GLN 3 -25.097 -11.694 -4.123 27 H LEU 4 H LEU 4 -20.212 -14.063 -3.085 28 HA LEU 4 HA LEU 4 -18.923 -15.656 -1.057 29 1HB LEU 4 1HB LEU 4 -16.975 -14.159 -1.646 30 2HB LEU 4 2HB LEU 4 -17.569 -15.241 -2.889 31 HG LEU 4 HG LEU 4 -18.794 -12.566 -2.973 32 1HD1 LEU 4 2HD1 LEU 4 -15.854 -12.850 -2.848 33 2HD1 LEU 4 3HD1 LEU 4 -16.480 -11.887 -4.208 34 3HD1 LEU 4 1HD1 LEU 4 -16.895 -11.440 -2.535 35 1HD2 LEU 4 2HD2 LEU 4 -17.643 -14.561 -4.899 36 2HD2 LEU 4 3HD2 LEU 4 -19.282 -13.871 -4.813 37 3HD2 LEU 4 1HD2 LEU 4 -17.931 -12.882 -5.415 38 H THR 5 H THR 5 -17.418 -14.201 0.502 39 HA THR 5 HA THR 5 -18.789 -11.842 1.444 40 HB THR 5 HB THR 5 -19.702 -12.745 3.390 41 HG1 THR 5 HG1 THR 5 -17.531 -14.677 2.999 42 1HG2 THR 5 2HG2 THR 5 -19.396 -15.287 1.705 43 2HG2 THR 5 3HG2 THR 5 -20.507 -15.090 3.082 44 3HG2 THR 5 1HG2 THR 5 -20.753 -14.141 1.597 45 H GLU 6 H GLU 6 -17.581 -11.739 4.003 46 HA GLU 6 HA GLU 6 -15.255 -10.557 3.458 47 1HB GLU 6 1HB GLU 6 -16.153 -12.061 5.939 48 2HB GLU 6 2HB GLU 6 -14.630 -11.196 5.906 49 1HG GLU 6 1HG GLU 6 -16.058 -9.168 5.020 50 2HG GLU 6 2HG GLU 6 -17.436 -10.071 5.618 51 H GLU 7 H GLU 7 -15.852 -14.055 3.816 52 HA GLU 7 HA GLU 7 -13.495 -15.108 4.321 53 1HB GLU 7 1HB GLU 7 -15.316 -15.964 2.027 54 2HB GLU 7 2HB GLU 7 -14.096 -16.979 2.771 55 1HG GLU 7 1HG GLU 7 -15.709 -15.882 4.891 56 2HG GLU 7 2HG GLU 7 -16.803 -16.479 3.658 57 H GLN 8 H GLN 8 -14.434 -13.569 1.203 58 HA GLN 8 HA GLN 8 -12.121 -14.295 -0.158 59 1HB GLN 8 1HB GLN 8 -14.505 -12.917 -0.728 60 2HB GLN 8 2HB GLN 8 -13.257 -11.718 -1.000 61 1HG GLN 8 1HG GLN 8 -13.749 -13.057 -3.056 62 2HG GLN 8 2HG GLN 8 -12.076 -13.202 -2.555 63 1HE2 GLN 8 2HE2 GLN 8 -14.624 -16.343 -1.603 64 2HE2 GLN 8 1HE2 GLN 8 -15.107 -14.690 -1.420 65 H ILE 9 H ILE 9 -13.025 -11.323 1.704 66 HA ILE 9 HA ILE 9 -10.785 -9.825 1.188 67 HB ILE 9 HB ILE 9 -13.038 -9.551 2.667 68 1HG1 ILE 9 1HG1 ILE 9 -11.641 -7.391 3.508 69 2HG1 ILE 9 2HG1 ILE 9 -10.585 -7.935 2.219 70 1HG2 ILE 9 2HG2 ILE 9 -12.089 -10.804 4.558 71 2HG2 ILE 9 3HG2 ILE 9 -10.761 -9.623 4.667 72 3HG2 ILE 9 1HG2 ILE 9 -12.437 -9.111 4.981 73 1HD1 ILE 9 2HD1 ILE 9 -13.514 -7.909 1.589 74 2HD1 ILE 9 3HD1 ILE 9 -12.724 -6.325 1.782 75 3HD1 ILE 9 1HD1 ILE 9 -12.125 -7.475 0.563 76 H ALA 10 H ALA 10 -11.304 -12.363 3.711 77 HA ALA 10 HA ALA 10 -9.049 -12.162 5.155 78 1HB ALA 10 3HB ALA 10 -10.975 -14.207 4.467 79 2HB ALA 10 1HB ALA 10 -9.352 -14.928 4.588 80 3HB ALA 10 2HB ALA 10 -10.026 -14.017 5.961 81 H GLU 11 H GLU 11 -9.367 -13.401 1.801 82 HA GLU 11 HA GLU 11 -6.726 -14.349 1.691 83 1HB GLU 11 1HB GLU 11 -8.700 -13.598 -0.509 84 2HB GLU 11 2HB GLU 11 -7.167 -14.395 -0.805 85 1HG GLU 11 1HG GLU 11 -7.879 -16.269 0.727 86 2HG GLU 11 2HG GLU 11 -9.431 -15.483 0.935 87 H PHE 12 H PHE 12 -8.363 -11.288 0.686 88 HA PHE 12 HA PHE 12 -6.218 -10.126 -0.607 89 1HB PHE 12 1HB PHE 12 -8.633 -9.197 1.013 90 2HB PHE 12 2HB PHE 12 -7.508 -7.991 0.422 91 HD1 PHE 12 HD2 PHE 12 -9.782 -10.705 -0.665 92 HD2 PHE 12 HD1 PHE 12 -7.583 -7.264 -1.820 93 HE1 PHE 12 HE2 PHE 12 -10.955 -10.700 -2.884 94 HE2 PHE 12 HE1 PHE 12 -8.756 -7.259 -4.039 95 HZ PHE 12 HZ PHE 12 -10.428 -8.977 -4.545 96 H LYS 13 H LYS 13 -6.949 -10.465 2.871 97 HA LYS 13 HA LYS 13 -5.500 -8.536 4.031 98 1HB LYS 13 1HB LYS 13 -5.772 -11.458 4.749 99 2HB LYS 13 2HB LYS 13 -4.934 -10.322 5.786 100 1HG LYS 13 1HG LYS 13 -7.160 -8.861 5.410 101 2HG LYS 13 2HG LYS 13 -7.861 -10.429 5.060 102 1HD LYS 13 1HD LYS 13 -6.158 -10.128 7.541 103 2HD LYS 13 2HD LYS 13 -7.788 -9.484 7.560 104 1HE LYS 13 1HE LYS 13 -7.509 -12.258 6.465 105 2HE LYS 13 2HE LYS 13 -7.176 -12.083 8.177 106 1HZ LYS 13 1HZ LYS 13 -9.558 -10.821 7.091 107 2HZ LYS 13 2HZ LYS 13 -9.573 -12.435 7.341 108 3HZ LYS 13 3HZ LYS 13 -9.296 -11.418 8.588 109 H GLU 14 H GLU 14 -4.105 -11.698 2.902 110 HA GLU 14 HA GLU 14 -1.518 -11.126 3.500 111 1HB GLU 14 1HB GLU 14 -2.671 -12.757 1.198 112 2HB GLU 14 2HB GLU 14 -0.973 -12.771 1.628 113 1HG GLU 14 1HG GLU 14 -2.059 -13.240 4.092 114 2HG GLU 14 2HG GLU 14 -3.312 -13.942 3.089 115 H ALA 15 H ALA 15 -3.462 -10.167 0.636 116 HA ALA 15 HA ALA 15 -1.458 -9.267 -1.011 117 1HB ALA 15 2HB ALA 15 -4.122 -9.403 -1.175 118 2HB ALA 15 3HB ALA 15 -3.989 -7.678 -0.758 119 3HB ALA 15 1HB ALA 15 -3.179 -8.307 -2.212 120 H PHE 16 H PHE 16 -3.257 -7.436 1.561 121 HA PHE 16 HA PHE 16 -1.998 -5.032 1.269 122 1HB PHE 16 1HB PHE 16 -3.935 -5.737 2.802 123 2HB PHE 16 2HB PHE 16 -2.770 -6.522 3.850 124 HD1 PHE 16 HD2 PHE 16 -3.566 -3.190 2.385 125 HD2 PHE 16 HD1 PHE 16 -1.826 -5.333 5.607 126 HE1 PHE 16 HE2 PHE 16 -3.248 -1.041 3.641 127 HE2 PHE 16 HE1 PHE 16 -1.507 -3.184 6.864 128 HZ PHE 16 HZ PHE 16 -2.222 -1.064 5.866 129 H SER 17 H SER 17 -0.850 -7.999 2.933 130 HA SER 17 HA SER 17 1.207 -6.889 4.348 131 1HB SER 17 1HB SER 17 1.224 -9.606 2.960 132 2HB SER 17 2HB SER 17 2.190 -9.149 4.349 133 HG SER 17 HG SER 17 -0.683 -9.445 4.219 134 H LEU 18 H LEU 18 1.226 -8.284 0.989 135 HA LEU 18 HA LEU 18 3.763 -8.115 0.263 136 1HB LEU 18 1HB LEU 18 1.222 -7.947 -1.044 137 2HB LEU 18 2HB LEU 18 2.332 -6.842 -1.828 138 HG LEU 18 HG LEU 18 3.875 -9.109 -1.585 139 1HD1 LEU 18 2HD1 LEU 18 1.508 -10.126 -0.875 140 2HD1 LEU 18 3HD1 LEU 18 1.342 -10.257 -2.643 141 3HD1 LEU 18 1HD1 LEU 18 2.709 -11.042 -1.816 142 1HD2 LEU 18 2HD2 LEU 18 2.203 -7.974 -3.813 143 2HD2 LEU 18 3HD2 LEU 18 3.967 -7.924 -3.578 144 3HD2 LEU 18 1HD2 LEU 18 3.176 -9.445 -4.057 145 H PHE 19 H PHE 19 1.539 -5.262 0.459 146 HA PHE 19 HA PHE 19 3.674 -3.468 -0.173 147 1HB PHE 19 1HB PHE 19 0.793 -3.252 0.873 148 2HB PHE 19 2HB PHE 19 1.767 -1.825 0.578 149 HD1 PHE 19 HD2 PHE 19 2.372 -1.181 -1.707 150 HD2 PHE 19 HD1 PHE 19 -0.103 -4.547 -0.960 151 HE1 PHE 19 HE2 PHE 19 1.662 -1.194 -4.115 152 HE2 PHE 19 HE1 PHE 19 -0.813 -4.559 -3.368 153 HZ PHE 19 HZ PHE 19 0.078 -2.882 -4.916 154 H ASP 20 H ASP 20 1.743 -4.302 2.784 155 HA ASP 20 HA ASP 20 3.307 -2.541 4.364 156 1HB ASP 20 1HB ASP 20 0.977 -2.972 4.963 157 2HB ASP 20 2HB ASP 20 1.258 -4.701 5.025 158 H LYS 21 H LYS 21 5.499 -3.436 3.967 159 HA LYS 21 HA LYS 21 6.135 -6.125 4.358 160 1HB LYS 21 1HB LYS 21 7.460 -4.268 3.181 161 2HB LYS 21 2HB LYS 21 8.023 -3.801 4.773 162 1HG LYS 21 1HG LYS 21 9.670 -5.346 4.427 163 2HG LYS 21 2HG LYS 21 8.449 -6.524 4.867 164 1HD LYS 21 1HD LYS 21 8.440 -5.641 2.003 165 2HD LYS 21 2HD LYS 21 9.827 -6.588 2.504 166 1HE LYS 21 1HE LYS 21 8.585 -8.479 2.368 167 2HE LYS 21 2HE LYS 21 7.524 -7.875 3.626 168 1HZ LYS 21 2HZ LYS 21 7.100 -6.740 1.023 169 2HZ LYS 21 3HZ LYS 21 6.747 -8.330 1.148 170 3HZ LYS 21 1HZ LYS 21 6.011 -7.251 2.128 171 H ASP 22 H ASP 22 5.919 -3.325 6.592 172 HA ASP 22 HA ASP 22 7.124 -4.622 8.737 173 1HB ASP 22 1HB ASP 22 4.950 -2.487 8.880 174 2HB ASP 22 2HB ASP 22 6.170 -2.820 10.093 175 H GLY 23 H GLY 23 3.967 -4.819 7.209 176 1HA GLY 23 1HA GLY 23 2.099 -5.981 7.663 177 2HA GLY 23 2HA GLY 23 3.104 -7.042 8.630 178 H ASP 24 H ASP 24 3.191 -3.686 9.586 179 HA ASP 24 HA ASP 24 2.279 -4.244 12.117 180 1HB ASP 24 1HB ASP 24 2.098 -1.730 12.334 181 2HB ASP 24 2HB ASP 24 3.635 -2.282 11.699 182 H GLY 25 H GLY 25 0.654 -3.066 9.133 183 1HA GLY 25 1HA GLY 25 -1.733 -3.916 9.110 184 2HA GLY 25 2HA GLY 25 -1.924 -2.971 10.573 185 H THR 26 H THR 26 0.345 -1.216 8.952 186 HA THR 26 HA THR 26 -1.618 0.196 7.281 187 HB THR 26 HB THR 26 -0.926 2.310 8.276 188 HG1 THR 26 HG1 THR 26 1.292 1.934 8.650 189 1HG2 THR 26 1HG2 THR 26 -2.404 0.650 9.750 190 2HG2 THR 26 2HG2 THR 26 -0.923 0.525 10.729 191 3HG2 THR 26 3HG2 THR 26 -1.707 2.106 10.500 192 H ILE 27 H ILE 27 -0.792 1.264 5.450 193 HA ILE 27 HA ILE 27 1.957 0.438 4.820 194 HB ILE 27 HB ILE 27 -0.460 0.738 3.037 195 1HG1 ILE 27 1HG1 ILE 27 1.237 -1.701 3.636 196 2HG1 ILE 27 2HG1 ILE 27 -0.279 -1.339 4.436 197 1HG2 ILE 27 3HG2 ILE 27 1.815 1.566 2.121 198 2HG2 ILE 27 1HG2 ILE 27 2.249 -0.160 2.086 199 3HG2 ILE 27 2HG2 ILE 27 0.854 0.426 1.149 200 1HD1 ILE 27 3HD1 ILE 27 -0.024 -1.532 1.404 201 2HD1 ILE 27 1HD1 ILE 27 -0.459 -2.914 2.438 202 3HD1 ILE 27 2HD1 ILE 27 -1.522 -1.488 2.365 203 H THR 28 H THR 28 3.247 2.174 5.214 204 HA THR 28 HA THR 28 2.266 4.842 4.926 205 HB THR 28 HB THR 28 3.949 4.131 6.638 206 HG1 THR 28 HG1 THR 28 5.412 5.935 6.025 207 1HG2 THR 28 2HG2 THR 28 5.618 3.604 4.132 208 2HG2 THR 28 3HG2 THR 28 6.360 3.940 5.715 209 3HG2 THR 28 1HG2 THR 28 5.334 2.501 5.500 210 H THR 29 H THR 29 4.796 5.909 3.784 211 HA THR 29 HA THR 29 3.950 5.724 1.020 212 HB THR 29 HB THR 29 5.879 7.531 0.924 213 HG1 THR 29 HG1 THR 29 6.706 7.947 2.954 214 1HG2 THR 29 3HG2 THR 29 3.408 7.952 2.688 215 2HG2 THR 29 1HG2 THR 29 4.424 9.258 2.033 216 3HG2 THR 29 2HG2 THR 29 3.489 8.220 0.930 217 H LYS 30 H LYS 30 6.993 5.167 2.910 218 HA LYS 30 HA LYS 30 8.501 4.266 0.785 219 1HB LYS 30 1HB LYS 30 9.046 4.794 3.321 220 2HB LYS 30 2HB LYS 30 8.836 3.066 3.512 221 1HG LYS 30 1HG LYS 30 10.594 2.562 1.953 222 2HG LYS 30 2HG LYS 30 10.604 4.191 1.307 223 1HD LYS 30 1HD LYS 30 11.670 5.092 3.240 224 2HD LYS 30 2HD LYS 30 11.232 3.720 4.239 225 1HE LYS 30 1HE LYS 30 12.722 2.306 2.615 226 2HE LYS 30 2HE LYS 30 13.351 3.844 2.060 227 1HZ LYS 30 3HZ LYS 30 13.269 3.638 4.895 228 2HZ LYS 30 1HZ LYS 30 14.218 2.499 4.211 229 3HZ LYS 30 2HZ LYS 30 14.503 4.080 3.920 230 H GLU 31 H GLU 31 6.602 2.288 3.174 231 HA GLU 31 HA GLU 31 7.071 -0.125 2.019 232 1HB GLU 31 1HB GLU 31 4.580 0.886 3.456 233 2HB GLU 31 2HB GLU 31 4.861 -0.803 3.085 234 1HG GLU 31 1HG GLU 31 7.072 -0.632 4.353 235 2HG GLU 31 2HG GLU 31 6.606 0.985 4.840 236 H LEU 32 H LEU 32 5.186 2.549 0.807 237 HA LEU 32 HA LEU 32 3.630 0.870 -0.965 238 1HB LEU 32 1HB LEU 32 2.891 3.028 0.270 239 2HB LEU 32 2HB LEU 32 3.737 3.869 -1.013 240 HG LEU 32 HG LEU 32 2.207 2.186 -2.494 241 1HD1 LEU 32 3HD1 LEU 32 0.745 2.634 0.103 242 2HD1 LEU 32 1HD1 LEU 32 -0.121 2.387 -1.432 243 3HD1 LEU 32 2HD1 LEU 32 0.973 1.127 -0.814 244 1HD2 LEU 32 2HD2 LEU 32 2.113 4.990 -1.680 245 2HD2 LEU 32 3HD2 LEU 32 1.895 4.247 -3.283 246 3HD2 LEU 32 1HD2 LEU 32 0.521 4.350 -2.156 247 H GLY 33 H GLY 33 6.600 2.790 -0.908 248 1HA GLY 33 1HA GLY 33 6.830 2.772 -3.813 249 2HA GLY 33 2HA GLY 33 7.920 3.508 -2.655 250 H THR 34 H THR 34 7.286 0.516 -1.338 251 HA THR 34 HA THR 34 9.815 -0.519 -2.284 252 HB THR 34 HB THR 34 7.934 -0.888 -0.002 253 HG1 THR 34 HG1 THR 34 10.783 -1.231 -0.626 254 1HG2 THR 34 2HG2 THR 34 9.375 -3.206 -1.336 255 2HG2 THR 34 3HG2 THR 34 9.286 -3.130 0.440 256 3HG2 THR 34 1HG2 THR 34 7.791 -3.199 -0.524 257 H VAL 35 H VAL 35 6.512 -1.992 -1.958 258 HA VAL 35 HA VAL 35 6.932 -4.181 -3.480 259 HB VAL 35 HB VAL 35 4.593 -2.435 -2.895 260 1HG1 VAL 35 2HG1 VAL 35 4.550 -4.662 -4.957 261 2HG1 VAL 35 3HG1 VAL 35 3.100 -3.980 -4.182 262 3HG1 VAL 35 1HG1 VAL 35 4.131 -2.950 -5.203 263 1HG2 VAL 35 3HG2 VAL 35 5.239 -5.368 -2.450 264 2HG2 VAL 35 1HG2 VAL 35 5.280 -4.062 -1.242 265 3HG2 VAL 35 2HG2 VAL 35 3.728 -4.573 -1.947 266 H MET 36 H MET 36 6.736 -0.812 -4.533 267 HA MET 36 HA MET 36 6.162 -1.339 -7.211 268 1HB MET 36 1HB MET 36 7.637 0.965 -5.821 269 2HB MET 36 2HB MET 36 7.152 1.018 -7.504 270 1HG MET 36 1HG MET 36 4.878 0.203 -5.874 271 2HG MET 36 2HG MET 36 5.568 1.672 -5.213 272 1HE MET 36 2HE MET 36 2.843 0.902 -6.542 273 2HE MET 36 3HE MET 36 2.442 1.868 -7.983 274 3HE MET 36 1HE MET 36 3.264 0.299 -8.163 275 H ARG 37 H ARG 37 9.254 -0.958 -5.382 276 HA ARG 37 HA ARG 37 10.964 -0.898 -7.478 277 1HB ARG 37 1HB ARG 37 11.152 -1.989 -4.659 278 2HB ARG 37 2HB ARG 37 12.500 -2.254 -5.747 279 1HG ARG 37 1HG ARG 37 13.112 -0.033 -5.758 280 2HG ARG 37 2HG ARG 37 11.455 0.536 -5.751 281 1HD ARG 37 1HD ARG 37 11.725 -0.677 -3.230 282 2HD ARG 37 2HD ARG 37 13.285 0.082 -3.478 283 HE ARG 37 HE ARG 37 10.702 1.449 -3.159 284 1HH1 ARG 37 1HH2 ARG 37 14.059 3.469 -4.120 285 2HH1 ARG 37 2HH2 ARG 37 14.032 1.743 -4.256 286 1HH2 ARG 37 1HH1 ARG 37 12.172 4.605 -3.390 287 2HH2 ARG 37 2HH1 ARG 37 10.736 3.727 -2.980 288 H SER 38 H SER 38 8.976 -3.546 -6.303 289 HA SER 38 HA SER 38 10.565 -5.618 -7.361 290 1HB SER 38 1HB SER 38 7.573 -5.782 -6.867 291 2HB SER 38 2HB SER 38 8.758 -7.067 -6.750 292 HG SER 38 HG SER 38 9.439 -6.348 -4.788 293 H LEU 39 H LEU 39 8.318 -3.287 -8.675 294 HA LEU 39 HA LEU 39 7.996 -4.908 -11.095 295 1HB LEU 39 1HB LEU 39 6.209 -3.329 -9.575 296 2HB LEU 39 2HB LEU 39 6.461 -2.482 -11.088 297 HG LEU 39 HG LEU 39 6.067 -5.108 -11.901 298 1HD1 LEU 39 2HD1 LEU 39 5.393 -5.711 -9.603 299 2HD1 LEU 39 3HD1 LEU 39 4.086 -4.505 -9.688 300 3HD1 LEU 39 1HD1 LEU 39 4.075 -5.908 -10.783 301 1HD2 LEU 39 1HD2 LEU 39 5.205 -2.899 -12.825 302 2HD2 LEU 39 2HD2 LEU 39 4.110 -4.298 -12.933 303 3HD2 LEU 39 3HD2 LEU 39 3.856 -3.063 -11.676 304 H GLY 40 H GLY 40 10.497 -3.499 -10.207 305 1HA GLY 40 1HA GLY 40 12.124 -2.279 -11.162 306 2HA GLY 40 2HA GLY 40 11.255 -2.423 -12.677 307 H GLN 41 H GLN 41 9.593 -1.005 -9.894 308 HA GLN 41 HA GLN 41 9.756 1.554 -11.270 309 1HB GLN 41 1HB GLN 41 7.655 0.252 -9.528 310 2HB GLN 41 2HB GLN 41 7.700 1.999 -9.655 311 1HG GLN 41 1HG GLN 41 7.300 1.965 -12.012 312 2HG GLN 41 2HG GLN 41 7.755 0.279 -12.158 313 1HE2 GLN 41 2HE2 GLN 41 4.059 1.352 -10.604 314 2HE2 GLN 41 1HE2 GLN 41 5.431 2.406 -10.511 315 H ASN 42 H ASN 42 9.118 3.386 -9.354 316 HA ASN 42 HA ASN 42 10.096 3.081 -6.854 317 1HB ASN 42 1HB ASN 42 12.329 2.589 -7.662 318 2HB ASN 42 2HB ASN 42 12.259 3.867 -8.860 319 1HD2 ASN 42 2HD2 ASN 42 14.373 5.400 -6.421 320 2HD2 ASN 42 1HD2 ASN 42 14.358 4.313 -7.770 321 HA PRO 43 HA PRO 43 8.387 7.108 -8.230 322 1HB PRO 43 1HB PRO 43 6.065 7.056 -6.790 323 2HB PRO 43 2HB PRO 43 6.170 6.527 -8.457 324 1HG PRO 43 1HG PRO 43 5.956 4.892 -6.004 325 2HG PRO 43 2HG PRO 43 5.639 4.428 -7.663 326 1HD PRO 43 1HD PRO 43 7.960 3.771 -6.111 327 2HD PRO 43 2HD PRO 43 7.694 3.406 -7.804 328 H THR 44 H THR 44 8.593 9.123 -7.299 329 HA THR 44 HA THR 44 10.098 9.136 -4.927 330 HB THR 44 HB THR 44 9.771 11.628 -5.172 331 HG1 THR 44 HG1 THR 44 8.338 12.162 -7.047 332 1HG2 THR 44 3HG2 THR 44 10.185 10.113 -7.803 333 2HG2 THR 44 1HG2 THR 44 10.529 11.844 -7.572 334 3HG2 THR 44 2HG2 THR 44 11.464 10.624 -6.675 335 H GLU 45 H GLU 45 9.477 10.508 -2.958 336 HA GLU 45 HA GLU 45 7.361 9.200 -1.733 337 1HB GLU 45 1HB GLU 45 9.319 11.313 -1.042 338 2HB GLU 45 2HB GLU 45 7.809 11.447 -0.163 339 1HG GLU 45 1HG GLU 45 8.016 8.985 0.446 340 2HG GLU 45 2HG GLU 45 9.595 8.974 -0.313 341 H ALA 46 H ALA 46 7.500 12.032 -3.776 342 HA ALA 46 HA ALA 46 5.164 13.299 -2.771 343 1HB ALA 46 1HB ALA 46 7.229 13.776 -4.706 344 2HB ALA 46 2HB ALA 46 5.654 13.954 -5.516 345 3HB ALA 46 3HB ALA 46 6.024 14.918 -4.066 346 H GLU 47 H GLU 47 5.896 11.112 -5.569 347 HA GLU 47 HA GLU 47 3.367 11.092 -6.617 348 1HB GLU 47 1HB GLU 47 5.215 10.156 -7.855 349 2HB GLU 47 2HB GLU 47 5.566 8.990 -6.595 350 1HG GLU 47 1HG GLU 47 4.046 7.512 -7.414 351 2HG GLU 47 2HG GLU 47 2.785 8.729 -7.460 352 H LEU 48 H LEU 48 4.861 8.714 -4.300 353 HA LEU 48 HA LEU 48 2.695 7.100 -3.936 354 1HB LEU 48 1HB LEU 48 4.733 7.971 -1.882 355 2HB LEU 48 2HB LEU 48 3.678 6.579 -1.741 356 HG LEU 48 HG LEU 48 5.463 6.764 -4.138 357 1HD1 LEU 48 2HD1 LEU 48 6.451 6.864 -1.437 358 2HD1 LEU 48 3HD1 LEU 48 6.903 5.318 -2.195 359 3HD1 LEU 48 1HD1 LEU 48 7.348 6.856 -2.974 360 1HD2 LEU 48 2HD2 LEU 48 3.848 4.757 -2.777 361 2HD2 LEU 48 3HD2 LEU 48 4.497 4.780 -4.434 362 3HD2 LEU 48 1HD2 LEU 48 5.508 4.196 -3.091 363 H GLN 49 H GLN 49 3.544 10.041 -1.973 364 HA GLN 49 HA GLN 49 1.503 10.075 -0.280 365 1HB GLN 49 1HB GLN 49 3.422 11.886 -1.074 366 2HB GLN 49 2HB GLN 49 1.962 12.718 -1.570 367 1HG GLN 49 1HG GLN 49 2.239 13.438 0.664 368 2HG GLN 49 2HG GLN 49 1.052 12.158 0.814 369 1HE2 GLN 49 2HE2 GLN 49 2.929 10.601 3.261 370 2HE2 GLN 49 1HE2 GLN 49 1.421 11.239 2.695 371 H ASP 50 H ASP 50 1.372 10.899 -3.768 372 HA ASP 50 HA ASP 50 -1.256 11.896 -3.634 373 1HB ASP 50 1HB ASP 50 0.825 11.671 -5.566 374 2HB ASP 50 2HB ASP 50 -0.527 10.785 -6.241 375 H MET 51 H MET 51 0.335 8.760 -4.487 376 HA MET 51 HA MET 51 -1.960 7.487 -5.392 377 1HB MET 51 1HB MET 51 0.534 6.318 -4.034 378 2HB MET 51 2HB MET 51 -0.587 5.407 -5.026 379 1HG MET 51 1HG MET 51 0.041 6.587 -7.026 380 2HG MET 51 2HG MET 51 0.823 7.871 -6.125 381 1HE MET 51 3HE MET 51 1.530 6.065 -8.492 382 2HE MET 51 1HE MET 51 3.174 5.408 -8.310 383 3HE MET 51 2HE MET 51 1.762 4.375 -7.981 384 H ILE 52 H ILE 52 -0.444 7.735 -2.129 385 HA ILE 52 HA ILE 52 -2.080 5.873 -0.859 386 HB ILE 52 HB ILE 52 -0.530 8.270 0.094 387 1HG1 ILE 52 1HG1 ILE 52 -0.056 5.311 -0.077 388 2HG1 ILE 52 2HG1 ILE 52 0.984 6.637 -0.558 389 1HG2 ILE 52 3HG2 ILE 52 -2.664 7.010 1.483 390 2HG2 ILE 52 1HG2 ILE 52 -1.141 6.501 2.252 391 3HG2 ILE 52 2HG2 ILE 52 -1.515 8.233 2.078 392 1HD1 ILE 52 1HD1 ILE 52 0.858 7.201 2.080 393 2HD1 ILE 52 2HD1 ILE 52 0.549 5.449 2.163 394 3HD1 ILE 52 3HD1 ILE 52 2.046 6.055 1.414 395 H ASN 53 H ASN 53 -2.354 9.502 -0.872 396 HA ASN 53 HA ASN 53 -4.608 9.815 0.451 397 1HB ASN 53 1HB ASN 53 -3.523 11.157 -2.032 398 2HB ASN 53 2HB ASN 53 -5.135 11.606 -1.513 399 1HD2 ASN 53 2HD2 ASN 53 -2.350 13.713 0.032 400 2HD2 ASN 53 1HD2 ASN 53 -2.633 13.125 -1.573 401 H GLU 54 H GLU 54 -4.365 9.063 -3.107 402 HA GLU 54 HA GLU 54 -6.941 9.040 -3.795 403 1HB GLU 54 1HB GLU 54 -4.623 7.281 -4.620 404 2HB GLU 54 2HB GLU 54 -6.208 6.996 -5.311 405 1HG GLU 54 1HG GLU 54 -6.133 9.662 -5.690 406 2HG GLU 54 2HG GLU 54 -4.403 9.392 -5.620 407 H VAL 55 H VAL 55 -5.153 6.359 -2.149 408 HA VAL 55 HA VAL 55 -7.731 5.022 -1.749 409 HB VAL 55 HB VAL 55 -6.060 3.152 -1.007 410 1HG1 VAL 55 3HG1 VAL 55 -7.508 3.658 -3.282 411 2HG1 VAL 55 1HG1 VAL 55 -5.866 3.446 -3.934 412 3HG1 VAL 55 2HG1 VAL 55 -6.607 2.158 -2.953 413 1HG2 VAL 55 2HG2 VAL 55 -4.133 4.906 -1.275 414 2HG2 VAL 55 3HG2 VAL 55 -3.881 3.223 -1.798 415 3HG2 VAL 55 1HG2 VAL 55 -4.244 4.484 -3.000 416 H ASP 56 H ASP 56 -7.037 7.436 -0.289 417 HA ASP 56 HA ASP 56 -7.242 6.299 2.330 418 1HB ASP 56 1HB ASP 56 -4.946 6.568 2.577 419 2HB ASP 56 2HB ASP 56 -4.854 7.825 1.359 420 H ALA 57 H ALA 57 -9.367 7.272 2.345 421 HA ALA 57 HA ALA 57 -9.562 10.106 1.756 422 1HB ALA 57 3HB ALA 57 -11.260 7.821 1.576 423 2HB ALA 57 1HB ALA 57 -11.996 8.933 2.755 424 3HB ALA 57 2HB ALA 57 -11.624 9.499 1.109 425 H ASP 58 H ASP 58 -8.536 8.264 4.337 426 HA ASP 58 HA ASP 58 -9.968 9.707 6.351 427 1HB ASP 58 1HB ASP 58 -8.539 8.395 7.922 428 2HB ASP 58 2HB ASP 58 -9.364 7.368 6.766 429 H GLY 59 H GLY 59 -6.916 9.791 4.551 430 1HA GLY 59 1HA GLY 59 -5.086 11.103 4.659 431 2HA GLY 59 2HA GLY 59 -6.215 12.368 5.102 432 H ASN 60 H ASN 60 -5.402 9.388 6.980 433 HA ASN 60 HA ASN 60 -4.643 11.157 9.146 434 1HB ASN 60 1HB ASN 60 -5.116 9.308 10.627 435 2HB ASN 60 2HB ASN 60 -6.405 9.298 9.440 436 1HD2 ASN 60 1HD2 ASN 60 -5.894 7.070 10.868 437 2HD2 ASN 60 2HD2 ASN 60 -5.196 5.825 9.887 438 H GLY 61 H GLY 61 -3.305 9.353 6.603 439 1HA GLY 61 1HA GLY 61 -0.947 9.359 6.302 440 2HA GLY 61 2HA GLY 61 -0.731 9.101 8.022 441 H THR 62 H THR 62 0.112 7.530 5.500 442 HA THR 62 HA THR 62 0.379 5.405 4.904 443 HB THR 62 HB THR 62 0.769 3.944 6.688 444 HG1 THR 62 HG1 THR 62 -1.538 5.205 7.987 445 1HG2 THR 62 1HG2 THR 62 1.418 6.441 7.399 446 2HG2 THR 62 2HG2 THR 62 0.061 6.242 8.533 447 3HG2 THR 62 3HG2 THR 62 1.452 5.134 8.607 448 H ILE 63 H ILE 63 -0.824 3.142 4.755 449 HA ILE 63 HA ILE 63 -3.654 3.771 4.277 450 HB ILE 63 HB ILE 63 -1.753 2.165 2.569 451 1HG1 ILE 63 1HG1 ILE 63 -2.149 4.882 2.603 452 2HG1 ILE 63 2HG1 ILE 63 -1.550 3.952 1.244 453 1HG2 ILE 63 2HG2 ILE 63 -3.949 1.072 2.709 454 2HG2 ILE 63 3HG2 ILE 63 -4.732 2.590 2.208 455 3HG2 ILE 63 1HG2 ILE 63 -3.636 1.741 1.090 456 1HD1 ILE 63 1HD1 ILE 63 -3.897 3.656 0.419 457 2HD1 ILE 63 2HD1 ILE 63 -4.474 4.651 1.777 458 3HD1 ILE 63 3HD1 ILE 63 -3.430 5.370 0.528 459 H ASP 64 H ASP 64 -5.159 2.269 4.980 460 HA ASP 64 HA ASP 64 -4.011 0.175 6.615 461 1HB ASP 64 1HB ASP 64 -6.869 1.242 6.428 462 2HB ASP 64 2HB ASP 64 -6.333 0.023 7.567 463 H PHE 65 H PHE 65 -6.111 -1.683 6.704 464 HA PHE 65 HA PHE 65 -5.817 -2.995 4.217 465 1HB PHE 65 1HB PHE 65 -6.068 -4.037 6.530 466 2HB PHE 65 2HB PHE 65 -7.703 -3.413 6.615 467 HD1 PHE 65 HD1 PHE 65 -5.799 -5.241 3.965 468 HD2 PHE 65 HD2 PHE 65 -9.227 -5.127 6.463 469 HE1 PHE 65 HE1 PHE 65 -6.655 -7.338 2.884 470 HE2 PHE 65 HE2 PHE 65 -10.084 -7.224 5.382 471 HZ PHE 65 HZ PHE 65 -8.788 -8.305 3.605 472 HA PRO 66 HA PRO 66 -10.371 -1.723 3.789 473 1HB PRO 66 1HB PRO 66 -11.351 0.293 5.353 474 2HB PRO 66 2HB PRO 66 -11.563 -1.405 5.733 475 1HG PRO 66 1HG PRO 66 -9.737 0.559 6.978 476 2HG PRO 66 2HG PRO 66 -10.271 -0.991 7.598 477 1HD PRO 66 1HD PRO 66 -7.718 -0.395 6.436 478 2HD PRO 66 2HD PRO 66 -8.294 -1.968 6.950 479 H GLU 67 H GLU 67 -7.778 0.393 4.149 480 HA GLU 67 HA GLU 67 -9.027 2.303 2.372 481 1HB GLU 67 1HB GLU 67 -6.235 2.478 3.563 482 2HB GLU 67 2HB GLU 67 -7.213 3.786 2.927 483 1HG GLU 67 1HG GLU 67 -8.725 3.723 4.783 484 2HG GLU 67 2HG GLU 67 -8.200 2.125 5.273 485 H PHE 68 H PHE 68 -6.810 -0.403 2.403 486 HA PHE 68 HA PHE 68 -5.648 0.379 -0.144 487 1HB PHE 68 1HB PHE 68 -4.005 -0.615 1.238 488 2HB PHE 68 2HB PHE 68 -5.185 -1.577 2.106 489 HD1 PHE 68 HD1 PHE 68 -6.016 -3.702 1.111 490 HD2 PHE 68 HD2 PHE 68 -2.857 -1.490 -0.661 491 HE1 PHE 68 HE1 PHE 68 -5.351 -5.720 -0.224 492 HE2 PHE 68 HE2 PHE 68 -2.192 -3.509 -1.996 493 HZ PHE 68 HZ PHE 68 -3.447 -5.600 -1.762 494 H LEU 69 H LEU 69 -7.995 -1.885 1.303 495 HA LEU 69 HA LEU 69 -8.192 -3.809 -0.592 496 1HB LEU 69 1HB LEU 69 -10.178 -2.452 1.186 497 2HB LEU 69 2HB LEU 69 -10.745 -3.612 0.002 498 HG LEU 69 HG LEU 69 -8.524 -4.362 1.885 499 1HD1 LEU 69 2HD1 LEU 69 -11.203 -3.626 2.682 500 2HD1 LEU 69 3HD1 LEU 69 -10.896 -5.348 3.009 501 3HD1 LEU 69 1HD1 LEU 69 -9.808 -4.108 3.677 502 1HD2 LEU 69 3HD2 LEU 69 -9.192 -5.782 -0.097 503 2HD2 LEU 69 1HD2 LEU 69 -9.221 -6.591 1.489 504 3HD2 LEU 69 2HD2 LEU 69 -10.742 -6.061 0.732 505 H THR 70 H THR 70 -9.262 -0.404 -0.782 506 HA THR 70 HA THR 70 -10.823 -0.674 -3.102 507 HB THR 70 HB THR 70 -11.117 1.313 -1.833 508 HG1 THR 70 HG1 THR 70 -9.093 2.046 -3.816 509 1HG2 THR 70 2HG2 THR 70 -8.078 1.346 -1.758 510 2HG2 THR 70 3HG2 THR 70 -8.985 2.866 -1.569 511 3HG2 THR 70 1HG2 THR 70 -9.226 1.536 -0.410 512 H MET 71 H MET 71 -7.306 -0.205 -2.594 513 HA MET 71 HA MET 71 -6.658 0.460 -5.168 514 1HB MET 71 1HB MET 71 -5.342 -0.275 -2.740 515 2HB MET 71 2HB MET 71 -4.709 -1.379 -3.946 516 1HG MET 71 1HG MET 71 -4.810 1.253 -5.134 517 2HG MET 71 2HG MET 71 -4.057 1.408 -3.559 518 1HE MET 71 1HE MET 71 -2.436 2.347 -5.155 519 2HE MET 71 2HE MET 71 -1.114 1.533 -4.284 520 3HE MET 71 3HE MET 71 -1.205 1.432 -6.058 521 H MET 72 H MET 72 -6.601 -2.852 -3.653 522 HA MET 72 HA MET 72 -5.889 -4.245 -5.860 523 1HB MET 72 1HB MET 72 -7.846 -4.949 -3.607 524 2HB MET 72 2HB MET 72 -7.237 -6.144 -4.735 525 1HG MET 72 1HG MET 72 -5.024 -4.572 -3.642 526 2HG MET 72 2HG MET 72 -5.986 -5.245 -2.341 527 1HE MET 72 2HE MET 72 -3.852 -5.465 -5.137 528 2HE MET 72 3HE MET 72 -2.758 -6.668 -4.413 529 3HE MET 72 1HE MET 72 -3.835 -7.136 -5.750 530 H ALA 73 H ALA 73 -9.160 -3.069 -4.921 531 HA ALA 73 HA ALA 73 -10.711 -4.452 -6.689 532 1HB ALA 73 3HB ALA 73 -11.284 -2.695 -4.858 533 2HB ALA 73 1HB ALA 73 -11.099 -1.497 -6.161 534 3HB ALA 73 2HB ALA 73 -12.325 -2.780 -6.299 535 H ARG 74 H ARG 74 -9.021 -1.285 -7.265 536 HA ARG 74 HA ARG 74 -9.379 -1.834 -10.098 537 1HB ARG 74 1HB ARG 74 -8.553 0.877 -9.021 538 2HB ARG 74 2HB ARG 74 -9.427 0.507 -10.494 539 1HG ARG 74 1HG ARG 74 -11.447 -0.068 -9.240 540 2HG ARG 74 2HG ARG 74 -10.590 0.024 -7.714 541 1HD ARG 74 1HD ARG 74 -10.934 2.397 -9.610 542 2HD ARG 74 2HD ARG 74 -11.993 2.076 -8.251 543 HE ARG 74 HE ARG 74 -9.328 2.054 -7.260 544 1HH1 ARG 74 2HH2 ARG 74 -11.601 4.335 -8.678 545 2HH1 ARG 74 1HH2 ARG 74 -10.924 5.709 -7.869 546 1HH2 ARG 74 2HH1 ARG 74 -8.434 3.866 -6.192 547 2HH2 ARG 74 1HH1 ARG 74 -9.111 5.441 -6.446 548 H LYS 75 H LYS 75 -7.440 -3.346 -9.767 549 HA LYS 75 HA LYS 75 -4.991 -2.691 -8.891 550 1HB LYS 75 1HB LYS 75 -6.131 -4.679 -10.549 551 2HB LYS 75 2HB LYS 75 -4.724 -4.084 -11.407 552 1HG LYS 75 1HG LYS 75 -3.510 -4.284 -9.071 553 2HG LYS 75 2HG LYS 75 -4.858 -5.316 -8.637 554 1HD LYS 75 1HD LYS 75 -4.380 -6.809 -10.555 555 2HD LYS 75 2HD LYS 75 -3.095 -5.747 -11.095 556 1HE LYS 75 1HE LYS 75 -2.993 -6.824 -8.269 557 2HE LYS 75 2HE LYS 75 -2.557 -7.889 -9.590 558 1HZ LYS 75 3HZ LYS 75 -1.348 -5.373 -9.911 559 2HZ LYS 75 1HZ LYS 75 -0.981 -5.986 -8.443 560 3HZ LYS 75 2HZ LYS 75 -0.646 -6.843 -9.792 No H/Q in entry = 560 Start of MODEL 22 1 H MET 0 H MET 0 -16.731 -25.346 5.625 2 HA MET 0 HA MET 0 -17.085 -27.352 3.871 3 1HB MET 0 1HB MET 0 -18.165 -26.507 6.356 4 2HB MET 0 2HB MET 0 -19.576 -26.713 5.338 5 1HG MET 0 1HG MET 0 -19.396 -28.986 5.387 6 2HG MET 0 2HG MET 0 -17.697 -28.936 4.963 7 1HE MET 0 3HE MET 0 -17.080 -30.786 6.195 8 2HE MET 0 1HE MET 0 -15.820 -29.717 6.858 9 3HE MET 0 2HE MET 0 -16.714 -30.814 7.937 10 H ALA 1 H ALA 1 -18.978 -24.289 4.099 11 HA ALA 1 HA ALA 1 -19.630 -24.359 1.366 12 1HB ALA 1 3HB ALA 1 -21.663 -25.414 3.334 13 2HB ALA 1 1HB ALA 1 -22.195 -24.532 1.883 14 3HB ALA 1 2HB ALA 1 -21.238 -26.023 1.716 15 H ASP 2 H ASP 2 -18.630 -22.262 1.734 16 HA ASP 2 HA ASP 2 -20.351 -20.466 3.245 17 1HB ASP 2 1HB ASP 2 -17.469 -20.092 2.300 18 2HB ASP 2 2HB ASP 2 -18.372 -18.934 3.257 19 H GLN 3 H GLN 3 -19.711 -18.005 2.131 20 HA GLN 3 HA GLN 3 -20.175 -18.383 -0.722 21 1HB GLN 3 1HB GLN 3 -22.066 -17.427 1.106 22 2HB GLN 3 2HB GLN 3 -21.414 -15.958 0.408 23 1HG GLN 3 1HG GLN 3 -21.891 -16.771 -1.872 24 2HG GLN 3 2HG GLN 3 -22.409 -18.324 -1.247 25 1HE2 GLN 3 2HE2 GLN 3 -25.347 -16.099 -1.989 26 2HE2 GLN 3 1HE2 GLN 3 -23.948 -16.621 -2.867 27 H LEU 4 H LEU 4 -19.587 -16.400 -2.047 28 HA LEU 4 HA LEU 4 -17.006 -15.596 -1.488 29 1HB LEU 4 1HB LEU 4 -17.438 -13.881 -3.265 30 2HB LEU 4 2HB LEU 4 -17.730 -15.551 -3.705 31 HG LEU 4 HG LEU 4 -20.227 -14.779 -2.884 32 1HD1 LEU 4 2HD1 LEU 4 -18.817 -12.355 -3.990 33 2HD1 LEU 4 3HD1 LEU 4 -20.574 -12.582 -4.164 34 3HD1 LEU 4 1HD1 LEU 4 -19.844 -12.498 -2.543 35 1HD2 LEU 4 2HD2 LEU 4 -19.238 -15.900 -5.057 36 2HD2 LEU 4 3HD2 LEU 4 -20.852 -15.150 -5.055 37 3HD2 LEU 4 1HD2 LEU 4 -19.462 -14.267 -5.730 38 H THR 5 H THR 5 -16.840 -12.819 -1.796 39 HA THR 5 HA THR 5 -16.639 -11.028 -0.480 40 HB THR 5 HB THR 5 -18.967 -10.284 0.461 41 HG1 THR 5 HG1 THR 5 -20.121 -12.209 0.565 42 1HG2 THR 5 1HG2 THR 5 -18.331 -10.919 -2.432 43 2HG2 THR 5 2HG2 THR 5 -19.984 -10.407 -2.014 44 3HG2 THR 5 3HG2 THR 5 -18.606 -9.335 -1.667 45 H GLU 6 H GLU 6 -16.399 -10.167 1.676 46 HA GLU 6 HA GLU 6 -15.971 -10.299 3.803 47 1HB GLU 6 1HB GLU 6 -17.752 -12.776 3.852 48 2HB GLU 6 2HB GLU 6 -17.188 -11.912 5.269 49 1HG GLU 6 1HG GLU 6 -18.304 -9.809 4.294 50 2HG GLU 6 2HG GLU 6 -19.030 -10.846 3.084 51 H GLU 7 H GLU 7 -16.049 -13.664 2.428 52 HA GLU 7 HA GLU 7 -13.810 -14.414 3.996 53 1HB GLU 7 1HB GLU 7 -15.245 -15.788 1.683 54 2HB GLU 7 2HB GLU 7 -13.944 -16.530 2.593 55 1HG GLU 7 1HG GLU 7 -15.879 -15.450 4.464 56 2HG GLU 7 2HG GLU 7 -16.732 -16.411 3.273 57 H GLN 8 H GLN 8 -14.419 -13.651 0.510 58 HA GLN 8 HA GLN 8 -11.998 -14.245 -0.509 59 1HB GLN 8 1HB GLN 8 -14.271 -12.973 -1.414 60 2HB GLN 8 2HB GLN 8 -13.115 -11.657 -1.462 61 1HG GLN 8 1HG GLN 8 -13.145 -12.906 -3.610 62 2HG GLN 8 2HG GLN 8 -11.572 -13.001 -2.844 63 1HE2 GLN 8 2HE2 GLN 8 -14.093 -16.302 -2.654 64 2HE2 GLN 8 1HE2 GLN 8 -14.706 -14.684 -2.571 65 H ILE 9 H ILE 9 -12.964 -11.311 1.341 66 HA ILE 9 HA ILE 9 -10.699 -9.795 0.914 67 HB ILE 9 HB ILE 9 -13.025 -9.535 2.294 68 1HG1 ILE 9 1HG1 ILE 9 -11.574 -7.387 3.198 69 2HG1 ILE 9 2HG1 ILE 9 -10.602 -7.916 1.839 70 1HG2 ILE 9 1HG2 ILE 9 -10.807 -9.710 4.351 71 2HG2 ILE 9 2HG2 ILE 9 -12.417 -9.007 4.637 72 3HG2 ILE 9 3HG2 ILE 9 -12.258 -10.735 4.242 73 1HD1 ILE 9 1HD1 ILE 9 -13.577 -7.801 1.419 74 2HD1 ILE 9 2HD1 ILE 9 -12.698 -6.256 1.528 75 3HD1 ILE 9 3HD1 ILE 9 -12.255 -7.447 0.280 76 H ALA 10 H ALA 10 -11.369 -12.267 3.479 77 HA ALA 10 HA ALA 10 -9.164 -12.098 4.985 78 1HB ALA 10 3HB ALA 10 -11.169 -13.807 4.898 79 2HB ALA 10 1HB ALA 10 -10.021 -14.809 3.978 80 3HB ALA 10 2HB ALA 10 -9.623 -14.291 5.634 81 H GLU 11 H GLU 11 -9.377 -13.340 1.632 82 HA GLU 11 HA GLU 11 -6.767 -14.378 1.632 83 1HB GLU 11 1HB GLU 11 -8.550 -13.528 -0.694 84 2HB GLU 11 2HB GLU 11 -7.094 -14.492 -0.845 85 1HG GLU 11 1HG GLU 11 -8.084 -16.273 0.565 86 2HG GLU 11 2HG GLU 11 -9.514 -15.298 0.837 87 H PHE 12 H PHE 12 -8.256 -11.289 0.464 88 HA PHE 12 HA PHE 12 -6.035 -10.191 -0.710 89 1HB PHE 12 1HB PHE 12 -8.472 -9.192 0.828 90 2HB PHE 12 2HB PHE 12 -7.281 -8.014 0.313 91 HD1 PHE 12 HD1 PHE 12 -9.387 -10.778 -1.036 92 HD2 PHE 12 HD2 PHE 12 -7.439 -7.088 -1.809 93 HE1 PHE 12 HE1 PHE 12 -10.457 -10.687 -3.305 94 HE2 PHE 12 HE2 PHE 12 -8.510 -6.997 -4.077 95 HZ PHE 12 HZ PHE 12 -10.006 -8.798 -4.798 96 H LYS 13 H LYS 13 -6.878 -10.501 2.746 97 HA LYS 13 HA LYS 13 -5.386 -8.628 3.945 98 1HB LYS 13 1HB LYS 13 -5.736 -11.545 4.679 99 2HB LYS 13 2HB LYS 13 -4.978 -10.378 5.743 100 1HG LYS 13 1HG LYS 13 -7.148 -8.932 5.299 101 2HG LYS 13 2HG LYS 13 -7.847 -10.445 4.757 102 1HD LYS 13 1HD LYS 13 -6.430 -10.251 7.442 103 2HD LYS 13 2HD LYS 13 -8.112 -9.790 7.276 104 1HE LYS 13 1HE LYS 13 -8.829 -11.968 6.985 105 2HE LYS 13 2HE LYS 13 -7.414 -12.425 6.057 106 1HZ LYS 13 2HZ LYS 13 -6.185 -12.272 8.216 107 2HZ LYS 13 3HZ LYS 13 -7.633 -12.186 8.967 108 3HZ LYS 13 1HZ LYS 13 -7.244 -13.509 8.092 109 H GLU 14 H GLU 14 -4.096 -11.844 2.842 110 HA GLU 14 HA GLU 14 -1.503 -11.381 3.521 111 1HB GLU 14 1HB GLU 14 -2.635 -12.958 1.169 112 2HB GLU 14 2HB GLU 14 -0.966 -13.061 1.695 113 1HG GLU 14 1HG GLU 14 -2.177 -13.485 4.092 114 2HG GLU 14 2HG GLU 14 -3.451 -14.077 3.044 115 H ALA 15 H ALA 15 -3.309 -10.385 0.573 116 HA ALA 15 HA ALA 15 -1.204 -9.550 -0.986 117 1HB ALA 15 1HB ALA 15 -3.990 -9.484 -1.053 118 2HB ALA 15 2HB ALA 15 -3.531 -7.765 -1.077 119 3HB ALA 15 3HB ALA 15 -2.896 -8.873 -2.317 120 H PHE 16 H PHE 16 -3.135 -7.599 1.402 121 HA PHE 16 HA PHE 16 -1.846 -5.236 1.176 122 1HB PHE 16 1HB PHE 16 -3.807 -5.981 2.686 123 2HB PHE 16 2HB PHE 16 -2.631 -6.697 3.769 124 HD1 PHE 16 HD1 PHE 16 -3.717 -3.471 2.301 125 HD2 PHE 16 HD2 PHE 16 -1.550 -5.393 5.402 126 HE1 PHE 16 HE1 PHE 16 -3.487 -1.277 3.500 127 HE2 PHE 16 HE2 PHE 16 -1.319 -3.199 6.600 128 HZ PHE 16 HZ PHE 16 -2.290 -1.168 5.635 129 H SER 17 H SER 17 -0.680 -8.217 2.772 130 HA SER 17 HA SER 17 1.316 -7.135 4.288 131 1HB SER 17 1HB SER 17 0.433 -9.618 3.952 132 2HB SER 17 2HB SER 17 1.750 -9.731 2.801 133 HG SER 17 HG SER 17 2.357 -10.399 4.981 134 H LEU 18 H LEU 18 1.471 -8.380 0.872 135 HA LEU 18 HA LEU 18 4.046 -8.045 0.267 136 1HB LEU 18 1HB LEU 18 1.526 -7.960 -1.164 137 2HB LEU 18 2HB LEU 18 2.719 -6.924 -1.922 138 HG LEU 18 HG LEU 18 4.206 -9.173 -1.516 139 1HD1 LEU 18 2HD1 LEU 18 1.331 -10.028 -1.796 140 2HD1 LEU 18 3HD1 LEU 18 2.664 -11.033 -2.413 141 3HD1 LEU 18 1HD1 LEU 18 2.585 -10.625 -0.682 142 1HD2 LEU 18 2HD2 LEU 18 2.579 -8.182 -3.836 143 2HD2 LEU 18 3HD2 LEU 18 4.342 -8.181 -3.595 144 3HD2 LEU 18 1HD2 LEU 18 3.497 -9.702 -3.970 145 H PHE 19 H PHE 19 1.593 -5.366 0.190 146 HA PHE 19 HA PHE 19 3.565 -3.408 -0.331 147 1HB PHE 19 1HB PHE 19 0.672 -3.469 0.688 148 2HB PHE 19 2HB PHE 19 1.513 -1.947 0.470 149 HD1 PHE 19 HD2 PHE 19 2.151 -1.194 -1.791 150 HD2 PHE 19 HD1 PHE 19 -0.123 -4.728 -1.197 151 HE1 PHE 19 HE2 PHE 19 1.487 -1.175 -4.211 152 HE2 PHE 19 HE1 PHE 19 -0.786 -4.708 -3.617 153 HZ PHE 19 HZ PHE 19 0.027 -2.932 -5.096 154 H ASP 20 H ASP 20 1.735 -4.421 2.632 155 HA ASP 20 HA ASP 20 3.175 -2.536 4.202 156 1HB ASP 20 1HB ASP 20 0.900 -3.049 4.851 157 2HB ASP 20 2HB ASP 20 1.206 -4.774 4.824 158 H LYS 21 H LYS 21 5.410 -3.116 4.240 159 HA LYS 21 HA LYS 21 6.271 -5.797 4.418 160 1HB LYS 21 1HB LYS 21 7.522 -3.805 3.456 161 2HB LYS 21 2HB LYS 21 7.857 -3.311 5.103 162 1HG LYS 21 1HG LYS 21 8.444 -6.177 4.426 163 2HG LYS 21 2HG LYS 21 9.487 -4.975 3.692 164 1HD LYS 21 1HD LYS 21 10.019 -4.023 5.914 165 2HD LYS 21 2HD LYS 21 8.895 -5.124 6.685 166 1HE LYS 21 1HE LYS 21 10.663 -6.538 6.935 167 2HE LYS 21 2HE LYS 21 10.512 -6.864 5.220 168 1HZ LYS 21 1HZ LYS 21 11.894 -4.550 5.318 169 2HZ LYS 21 2HZ LYS 21 12.502 -5.382 6.585 170 3HZ LYS 21 3HZ LYS 21 12.539 -6.032 5.088 171 H ASP 22 H ASP 22 6.372 -3.085 6.843 172 HA ASP 22 HA ASP 22 7.250 -4.513 8.941 173 1HB ASP 22 1HB ASP 22 5.008 -2.450 9.112 174 2HB ASP 22 2HB ASP 22 6.168 -2.835 10.368 175 H GLY 23 H GLY 23 4.183 -4.732 7.255 176 1HA GLY 23 1HA GLY 23 2.321 -5.950 7.567 177 2HA GLY 23 2HA GLY 23 3.328 -7.059 8.476 178 H ASP 24 H ASP 24 3.226 -3.760 9.660 179 HA ASP 24 HA ASP 24 2.272 -4.560 12.124 180 1HB ASP 24 1HB ASP 24 1.988 -2.060 12.512 181 2HB ASP 24 2HB ASP 24 3.578 -2.546 11.959 182 H GLY 25 H GLY 25 0.700 -3.645 9.107 183 1HA GLY 25 1HA GLY 25 -1.632 -4.394 8.954 184 2HA GLY 25 2HA GLY 25 -1.924 -3.578 10.478 185 H THR 26 H THR 26 0.392 -1.859 8.607 186 HA THR 26 HA THR 26 -1.661 -0.273 7.252 187 HB THR 26 HB THR 26 -0.298 1.770 8.209 188 HG1 THR 26 HG1 THR 26 1.331 0.905 9.448 189 1HG2 THR 26 1HG2 THR 26 -2.641 1.162 8.987 190 2HG2 THR 26 2HG2 THR 26 -1.906 0.070 10.185 191 3HG2 THR 26 3HG2 THR 26 -1.620 1.824 10.286 192 H ILE 27 H ILE 27 -0.689 1.280 5.662 193 HA ILE 27 HA ILE 27 1.907 0.300 4.722 194 HB ILE 27 HB ILE 27 -0.608 0.640 3.089 195 1HG1 ILE 27 1HG1 ILE 27 1.139 -1.809 3.418 196 2HG1 ILE 27 2HG1 ILE 27 -0.259 -1.493 4.426 197 1HG2 ILE 27 1HG2 ILE 27 1.881 1.352 2.226 198 2HG2 ILE 27 2HG2 ILE 27 1.815 -0.361 1.750 199 3HG2 ILE 27 3HG2 ILE 27 0.563 0.769 1.182 200 1HD1 ILE 27 3HD1 ILE 27 -1.652 -1.287 2.302 201 2HD1 ILE 27 1HD1 ILE 27 -0.225 -1.844 1.397 202 3HD1 ILE 27 2HD1 ILE 27 -0.987 -2.910 2.602 203 H THR 28 H THR 28 3.309 1.965 4.707 204 HA THR 28 HA THR 28 2.212 4.668 4.569 205 HB THR 28 HB THR 28 3.759 4.081 6.423 206 HG1 THR 28 HG1 THR 28 4.136 6.203 5.788 207 1HG2 THR 28 3HG2 THR 28 5.140 2.577 4.467 208 2HG2 THR 28 1HG2 THR 28 6.179 3.995 4.748 209 3HG2 THR 28 2HG2 THR 28 5.722 2.943 6.109 210 H THR 29 H THR 29 4.821 5.732 3.591 211 HA THR 29 HA THR 29 4.211 5.379 0.764 212 HB THR 29 HB THR 29 5.932 7.370 0.721 213 HG1 THR 29 HG1 THR 29 6.798 7.247 2.809 214 1HG2 THR 29 2HG2 THR 29 3.117 7.291 1.597 215 2HG2 THR 29 3HG2 THR 29 4.001 8.649 2.332 216 3HG2 THR 29 1HG2 THR 29 3.935 8.485 0.561 217 H LYS 30 H LYS 30 6.850 4.831 3.128 218 HA LYS 30 HA LYS 30 8.717 4.068 1.137 219 1HB LYS 30 1HB LYS 30 8.694 4.550 3.944 220 2HB LYS 30 2HB LYS 30 9.323 2.933 3.703 221 1HG LYS 30 1HG LYS 30 11.155 3.675 2.435 222 2HG LYS 30 2HG LYS 30 10.330 5.120 1.884 223 1HD LYS 30 1HD LYS 30 11.083 6.347 3.649 224 2HD LYS 30 2HD LYS 30 10.608 5.120 4.807 225 1HE LYS 30 1HE LYS 30 12.674 3.885 4.486 226 2HE LYS 30 2HE LYS 30 13.102 4.832 3.075 227 1HZ LYS 30 1HZ LYS 30 13.222 6.772 4.531 228 2HZ LYS 30 2HZ LYS 30 12.918 5.833 5.831 229 3HZ LYS 30 3HZ LYS 30 14.286 5.612 4.967 230 H GLU 31 H GLU 31 6.022 2.510 2.763 231 HA GLU 31 HA GLU 31 7.014 -0.098 2.037 232 1HB GLU 31 1HB GLU 31 4.487 0.798 3.489 233 2HB GLU 31 2HB GLU 31 4.881 -0.879 3.165 234 1HG GLU 31 1HG GLU 31 6.986 -0.665 4.465 235 2HG GLU 31 2HG GLU 31 6.670 1.038 4.734 236 H LEU 32 H LEU 32 5.232 2.467 0.641 237 HA LEU 32 HA LEU 32 3.618 0.685 -1.003 238 1HB LEU 32 1HB LEU 32 2.717 2.767 0.116 239 2HB LEU 32 2HB LEU 32 3.689 3.700 -1.005 240 HG LEU 32 HG LEU 32 2.320 2.011 -2.701 241 1HD1 LEU 32 3HD1 LEU 32 0.972 1.236 -0.731 242 2HD1 LEU 32 1HD1 LEU 32 0.325 2.889 -0.602 243 3HD1 LEU 32 2HD1 LEU 32 0.023 1.926 -2.069 244 1HD2 LEU 32 3HD2 LEU 32 2.366 4.824 -2.007 245 2HD2 LEU 32 1HD2 LEU 32 2.152 4.040 -3.590 246 3HD2 LEU 32 2HD2 LEU 32 0.745 4.313 -2.535 247 H GLY 33 H GLY 33 6.408 2.928 -1.122 248 1HA GLY 33 1HA GLY 33 6.667 2.677 -3.993 249 2HA GLY 33 2HA GLY 33 7.715 3.547 -2.890 250 H THR 34 H THR 34 7.348 0.660 -1.334 251 HA THR 34 HA THR 34 9.917 -0.272 -2.217 252 HB THR 34 HB THR 34 7.979 -0.716 0.010 253 HG1 THR 34 HG1 THR 34 9.899 -0.104 0.945 254 1HG2 THR 34 1HG2 THR 34 9.579 -2.950 -1.245 255 2HG2 THR 34 2HG2 THR 34 9.614 -2.802 0.529 256 3HG2 THR 34 3HG2 THR 34 8.064 -3.037 -0.315 257 H VAL 35 H VAL 35 6.692 -1.924 -1.973 258 HA VAL 35 HA VAL 35 7.320 -4.141 -3.395 259 HB VAL 35 HB VAL 35 4.853 -2.547 -2.929 260 1HG1 VAL 35 1HG1 VAL 35 5.180 -4.539 -5.143 261 2HG1 VAL 35 2HG1 VAL 35 3.668 -4.548 -4.204 262 3HG1 VAL 35 3HG1 VAL 35 4.174 -3.072 -5.062 263 1HG2 VAL 35 3HG2 VAL 35 5.898 -5.289 -2.257 264 2HG2 VAL 35 1HG2 VAL 35 5.312 -4.002 -1.175 265 3HG2 VAL 35 2HG2 VAL 35 4.156 -4.939 -2.153 266 H MET 36 H MET 36 6.968 -0.829 -4.558 267 HA MET 36 HA MET 36 6.556 -1.528 -7.250 268 1HB MET 36 1HB MET 36 7.692 1.010 -5.948 269 2HB MET 36 2HB MET 36 7.169 0.910 -7.618 270 1HG MET 36 1HG MET 36 5.019 -0.119 -6.010 271 2HG MET 36 2HG MET 36 5.560 1.362 -5.246 272 1HE MET 36 3HE MET 36 3.091 1.576 -5.729 273 2HE MET 36 1HE MET 36 2.584 2.705 -7.009 274 3HE MET 36 2HE MET 36 2.497 0.949 -7.285 275 H ARG 37 H ARG 37 9.448 -0.764 -5.240 276 HA ARG 37 HA ARG 37 11.209 -0.705 -7.399 277 1HB ARG 37 1HB ARG 37 11.468 -0.969 -4.397 278 2HB ARG 37 2HB ARG 37 12.884 -1.298 -5.376 279 1HG ARG 37 1HG ARG 37 13.207 0.910 -5.840 280 2HG ARG 37 2HG ARG 37 11.524 1.153 -6.262 281 1HD ARG 37 1HD ARG 37 11.487 0.783 -3.457 282 2HD ARG 37 2HD ARG 37 12.911 1.764 -3.743 283 HE ARG 37 HE ARG 37 10.537 2.680 -5.208 284 1HH1 ARG 37 2HH2 ARG 37 12.357 2.906 -2.206 285 2HH1 ARG 37 1HH2 ARG 37 11.699 4.449 -1.774 286 1HH2 ARG 37 1HH1 ARG 37 10.159 5.485 -3.168 287 2HH2 ARG 37 2HH1 ARG 37 9.668 4.716 -4.640 288 H SER 38 H SER 38 10.118 -3.271 -5.110 289 HA SER 38 HA SER 38 11.927 -5.203 -5.704 290 1HB SER 38 1HB SER 38 8.948 -5.463 -5.105 291 2HB SER 38 2HB SER 38 10.056 -6.821 -5.103 292 HG SER 38 HG SER 38 10.779 -6.245 -3.170 293 H LEU 39 H LEU 39 9.352 -3.865 -7.693 294 HA LEU 39 HA LEU 39 9.476 -6.112 -9.538 295 1HB LEU 39 1HB LEU 39 7.523 -4.149 -8.789 296 2HB LEU 39 2HB LEU 39 7.828 -4.027 -10.510 297 HG LEU 39 HG LEU 39 7.565 -6.715 -10.287 298 1HD1 LEU 39 2HD1 LEU 39 7.105 -6.588 -7.869 299 2HD1 LEU 39 3HD1 LEU 39 5.673 -5.585 -8.206 300 3HD1 LEU 39 1HD1 LEU 39 5.740 -7.266 -8.788 301 1HD2 LEU 39 1HD2 LEU 39 6.369 -4.928 -11.735 302 2HD2 LEU 39 2HD2 LEU 39 5.554 -6.479 -11.419 303 3HD2 LEU 39 3HD2 LEU 39 5.087 -5.025 -10.504 304 H GLY 40 H GLY 40 9.185 -2.622 -10.346 305 1HA GLY 40 1HA GLY 40 11.849 -2.349 -11.304 306 2HA GLY 40 2HA GLY 40 10.758 -2.747 -12.617 307 H GLN 41 H GLN 41 9.729 -0.942 -9.701 308 HA GLN 41 HA GLN 41 9.595 1.439 -11.380 309 1HB GLN 41 1HB GLN 41 7.483 0.146 -9.670 310 2HB GLN 41 2HB GLN 41 7.505 1.896 -9.752 311 1HG GLN 41 1HG GLN 41 7.757 1.377 -12.401 312 2HG GLN 41 2HG GLN 41 6.946 -0.103 -11.929 313 1HE2 GLN 41 2HE2 GLN 41 3.863 1.376 -11.014 314 2HE2 GLN 41 1HE2 GLN 41 4.941 0.046 -10.751 315 H ASN 42 H ASN 42 8.971 3.420 -9.687 316 HA ASN 42 HA ASN 42 9.933 3.260 -7.123 317 1HB ASN 42 1HB ASN 42 12.151 2.862 -8.307 318 2HB ASN 42 2HB ASN 42 11.987 4.430 -9.073 319 1HD2 ASN 42 2HD2 ASN 42 13.708 4.122 -5.504 320 2HD2 ASN 42 1HD2 ASN 42 13.467 2.862 -6.668 321 HA PRO 43 HA PRO 43 7.909 7.088 -8.629 322 1HB PRO 43 1HB PRO 43 5.639 6.944 -7.114 323 2HB PRO 43 2HB PRO 43 5.734 6.342 -8.757 324 1HG PRO 43 1HG PRO 43 5.708 4.820 -6.223 325 2HG PRO 43 2HG PRO 43 5.378 4.252 -7.847 326 1HD PRO 43 1HD PRO 43 7.783 3.838 -6.341 327 2HD PRO 43 2HD PRO 43 7.495 3.372 -8.006 328 H THR 44 H THR 44 8.330 9.089 -7.878 329 HA THR 44 HA THR 44 9.777 9.327 -5.533 330 HB THR 44 HB THR 44 9.377 11.771 -5.907 331 HG1 THR 44 HG1 THR 44 7.524 12.290 -7.036 332 1HG2 THR 44 3HG2 THR 44 10.659 10.135 -7.695 333 2HG2 THR 44 1HG2 THR 44 9.353 10.759 -8.731 334 3HG2 THR 44 2HG2 THR 44 10.482 11.888 -7.946 335 H GLU 45 H GLU 45 9.266 10.461 -3.512 336 HA GLU 45 HA GLU 45 7.172 9.231 -2.236 337 1HB GLU 45 1HB GLU 45 9.223 11.219 -1.609 338 2HB GLU 45 2HB GLU 45 7.728 11.589 -0.773 339 1HG GLU 45 1HG GLU 45 7.652 9.150 -0.006 340 2HG GLU 45 2HG GLU 45 9.253 8.946 -0.690 341 H ALA 46 H ALA 46 7.256 12.121 -4.229 342 HA ALA 46 HA ALA 46 4.951 13.363 -3.158 343 1HB ALA 46 2HB ALA 46 6.349 13.566 -5.855 344 2HB ALA 46 3HB ALA 46 5.059 14.658 -5.298 345 3HB ALA 46 1HB ALA 46 6.614 14.605 -4.434 346 H GLU 47 H GLU 47 5.581 11.048 -5.858 347 HA GLU 47 HA GLU 47 3.010 11.065 -6.857 348 1HB GLU 47 1HB GLU 47 4.921 10.101 -8.067 349 2HB GLU 47 2HB GLU 47 5.109 8.854 -6.851 350 1HG GLU 47 1HG GLU 47 3.468 7.568 -7.769 351 2HG GLU 47 2HG GLU 47 2.356 8.919 -7.864 352 H LEU 48 H LEU 48 4.559 8.575 -4.692 353 HA LEU 48 HA LEU 48 2.411 7.032 -4.182 354 1HB LEU 48 1HB LEU 48 4.492 7.915 -2.177 355 2HB LEU 48 2HB LEU 48 3.465 6.502 -2.038 356 HG LEU 48 HG LEU 48 5.212 6.760 -4.458 357 1HD1 LEU 48 1HD1 LEU 48 6.172 6.258 -1.656 358 2HD1 LEU 48 2HD1 LEU 48 6.965 5.466 -3.039 359 3HD1 LEU 48 3HD1 LEU 48 6.898 7.243 -2.949 360 1HD2 LEU 48 2HD2 LEU 48 4.160 4.462 -2.796 361 2HD2 LEU 48 3HD2 LEU 48 3.717 4.910 -4.461 362 3HD2 LEU 48 1HD2 LEU 48 5.342 4.272 -4.114 363 H GLN 49 H GLN 49 3.337 9.958 -2.229 364 HA GLN 49 HA GLN 49 1.325 10.005 -0.500 365 1HB GLN 49 1HB GLN 49 3.259 11.799 -1.324 366 2HB GLN 49 2HB GLN 49 1.794 12.659 -1.754 367 1HG GLN 49 1HG GLN 49 2.080 13.340 0.470 368 2HG GLN 49 2HG GLN 49 0.978 11.992 0.669 369 1HE2 GLN 49 2HE2 GLN 49 3.065 10.505 2.983 370 2HE2 GLN 49 1HE2 GLN 49 1.493 11.044 2.495 371 H ASP 50 H ASP 50 1.169 11.076 -3.944 372 HA ASP 50 HA ASP 50 -1.430 12.057 -3.769 373 1HB ASP 50 1HB ASP 50 0.603 11.662 -5.779 374 2HB ASP 50 2HB ASP 50 -0.892 10.998 -6.406 375 H MET 51 H MET 51 0.042 8.865 -4.590 376 HA MET 51 HA MET 51 -2.344 7.687 -5.455 377 1HB MET 51 1HB MET 51 0.162 6.387 -4.249 378 2HB MET 51 2HB MET 51 -1.022 5.571 -5.251 379 1HG MET 51 1HG MET 51 -0.399 6.819 -7.208 380 2HG MET 51 2HG MET 51 0.449 8.032 -6.271 381 1HE MET 51 1HE MET 51 0.927 6.161 -8.716 382 2HE MET 51 2HE MET 51 2.575 5.492 -8.641 383 3HE MET 51 3HE MET 51 1.182 4.477 -8.198 384 H ILE 52 H ILE 52 -0.551 7.619 -2.304 385 HA ILE 52 HA ILE 52 -2.174 5.847 -0.972 386 HB ILE 52 HB ILE 52 -0.432 8.134 -0.153 387 1HG1 ILE 52 1HG1 ILE 52 -0.296 5.171 -0.254 388 2HG1 ILE 52 2HG1 ILE 52 0.944 6.371 -0.562 389 1HG2 ILE 52 2HG2 ILE 52 -2.285 8.222 1.430 390 2HG2 ILE 52 3HG2 ILE 52 -2.109 6.481 1.755 391 3HG2 ILE 52 1HG2 ILE 52 -0.808 7.607 2.210 392 1HD1 ILE 52 3HD1 ILE 52 1.085 6.837 1.901 393 2HD1 ILE 52 1HD1 ILE 52 -0.116 5.554 2.182 394 3HD1 ILE 52 2HD1 ILE 52 1.477 5.148 1.499 395 H ASN 53 H ASN 53 -2.493 9.450 -1.243 396 HA ASN 53 HA ASN 53 -4.627 9.810 0.336 397 1HB ASN 53 1HB ASN 53 -3.570 11.119 -2.137 398 2HB ASN 53 2HB ASN 53 -5.249 11.482 -1.792 399 1HD2 ASN 53 1HD2 ASN 53 -2.771 13.102 -1.675 400 2HD2 ASN 53 2HD2 ASN 53 -2.708 13.797 -0.089 401 H GLU 54 H GLU 54 -4.613 8.949 -3.205 402 HA GLU 54 HA GLU 54 -7.270 8.902 -3.659 403 1HB GLU 54 1HB GLU 54 -5.035 7.150 -4.739 404 2HB GLU 54 2HB GLU 54 -6.672 7.020 -5.349 405 1HG GLU 54 1HG GLU 54 -6.493 9.661 -5.604 406 2HG GLU 54 2HG GLU 54 -4.766 9.367 -5.534 407 H VAL 55 H VAL 55 -5.250 6.438 -2.012 408 HA VAL 55 HA VAL 55 -7.685 4.864 -1.556 409 HB VAL 55 HB VAL 55 -5.867 3.148 -0.835 410 1HG1 VAL 55 1HG1 VAL 55 -7.112 3.806 -3.361 411 2HG1 VAL 55 2HG1 VAL 55 -5.518 3.062 -3.632 412 3HG1 VAL 55 3HG1 VAL 55 -6.744 2.211 -2.661 413 1HG2 VAL 55 3HG2 VAL 55 -4.051 4.958 -1.032 414 2HG2 VAL 55 1HG2 VAL 55 -3.707 3.363 -1.745 415 3HG2 VAL 55 2HG2 VAL 55 -4.184 4.722 -2.791 416 H ASP 56 H ASP 56 -7.273 7.329 -0.154 417 HA ASP 56 HA ASP 56 -7.382 6.284 2.473 418 1HB ASP 56 1HB ASP 56 -5.053 6.517 2.651 419 2HB ASP 56 2HB ASP 56 -4.993 7.854 1.520 420 H ALA 57 H ALA 57 -9.249 7.388 3.095 421 HA ALA 57 HA ALA 57 -9.551 10.151 2.165 422 1HB ALA 57 3HB ALA 57 -11.291 7.871 2.312 423 2HB ALA 57 1HB ALA 57 -11.918 9.128 3.405 424 3HB ALA 57 2HB ALA 57 -11.644 9.499 1.686 425 H ASP 58 H ASP 58 -8.564 8.276 4.834 426 HA ASP 58 HA ASP 58 -9.704 9.988 6.810 427 1HB ASP 58 1HB ASP 58 -8.463 8.601 8.403 428 2HB ASP 58 2HB ASP 58 -9.258 7.568 7.232 429 H GLY 59 H GLY 59 -6.890 9.841 4.740 430 1HA GLY 59 1HA GLY 59 -4.886 10.902 4.734 431 2HA GLY 59 2HA GLY 59 -5.875 12.290 5.140 432 H ASN 60 H ASN 60 -5.126 9.354 7.129 433 HA ASN 60 HA ASN 60 -4.466 11.078 9.301 434 1HB ASN 60 1HB ASN 60 -4.400 9.048 10.625 435 2HB ASN 60 2HB ASN 60 -5.726 8.848 9.497 436 1HD2 ASN 60 2HD2 ASN 60 -2.994 6.032 9.714 437 2HD2 ASN 60 1HD2 ASN 60 -3.487 7.166 10.927 438 H GLY 61 H GLY 61 -2.869 9.430 6.672 439 1HA GLY 61 1HA GLY 61 -0.625 9.940 6.139 440 2HA GLY 61 2HA GLY 61 -0.244 10.063 7.845 441 H THR 62 H THR 62 -2.140 7.496 6.135 442 HA THR 62 HA THR 62 -0.123 5.621 5.887 443 HB THR 62 HB THR 62 -0.724 6.118 8.619 444 HG1 THR 62 HG1 THR 62 0.395 3.875 7.092 445 1HG2 THR 62 3HG2 THR 62 -2.786 4.655 8.292 446 2HG2 THR 62 1HG2 THR 62 -1.706 3.358 7.725 447 3HG2 THR 62 2HG2 THR 62 -1.582 3.952 9.398 448 H ILE 63 H ILE 63 -0.907 3.542 5.190 449 HA ILE 63 HA ILE 63 -3.728 3.728 4.409 450 HB ILE 63 HB ILE 63 -1.345 2.401 3.131 451 1HG1 ILE 63 1HG1 ILE 63 -2.051 4.938 2.872 452 2HG1 ILE 63 2HG1 ILE 63 -1.456 4.002 1.514 453 1HG2 ILE 63 2HG2 ILE 63 -4.286 1.976 2.617 454 2HG2 ILE 63 3HG2 ILE 63 -3.062 1.735 1.347 455 3HG2 ILE 63 1HG2 ILE 63 -2.997 0.769 2.840 456 1HD1 ILE 63 2HD1 ILE 63 -4.421 3.970 2.088 457 2HD1 ILE 63 3HD1 ILE 63 -3.708 5.399 1.303 458 3HD1 ILE 63 1HD1 ILE 63 -3.571 3.800 0.533 459 H ASP 64 H ASP 64 -5.164 2.099 4.940 460 HA ASP 64 HA ASP 64 -4.010 0.031 6.640 461 1HB ASP 64 1HB ASP 64 -6.817 1.236 6.622 462 2HB ASP 64 2HB ASP 64 -6.327 -0.096 7.651 463 H PHE 65 H PHE 65 -6.196 -1.744 6.744 464 HA PHE 65 HA PHE 65 -6.026 -2.992 4.219 465 1HB PHE 65 1HB PHE 65 -6.328 -3.995 6.594 466 2HB PHE 65 2HB PHE 65 -7.982 -3.417 6.555 467 HD1 PHE 65 HD1 PHE 65 -6.026 -5.005 3.815 468 HD2 PHE 65 HD2 PHE 65 -9.253 -5.369 6.547 469 HE1 PHE 65 HE1 PHE 65 -6.743 -7.130 2.687 470 HE2 PHE 65 HE2 PHE 65 -9.970 -7.493 5.419 471 HZ PHE 65 HZ PHE 65 -8.706 -8.348 3.502 472 HA PRO 66 HA PRO 66 -10.511 -1.465 3.909 473 1HB PRO 66 1HB PRO 66 -11.343 0.572 5.530 474 2HB PRO 66 2HB PRO 66 -11.644 -1.118 5.883 475 1HG PRO 66 1HG PRO 66 -9.685 0.714 7.125 476 2HG PRO 66 2HG PRO 66 -10.294 -0.814 7.728 477 1HD PRO 66 1HD PRO 66 -7.734 -0.342 6.524 478 2HD PRO 66 2HD PRO 66 -8.389 -1.890 7.021 479 H GLU 67 H GLU 67 -7.753 0.393 4.140 480 HA GLU 67 HA GLU 67 -8.940 2.436 2.455 481 1HB GLU 67 1HB GLU 67 -6.098 2.503 3.498 482 2HB GLU 67 2HB GLU 67 -7.134 3.847 3.061 483 1HG GLU 67 1HG GLU 67 -8.028 2.033 5.304 484 2HG GLU 67 2HG GLU 67 -6.732 3.168 5.626 485 H PHE 68 H PHE 68 -6.792 -0.350 2.457 486 HA PHE 68 HA PHE 68 -5.688 0.378 -0.129 487 1HB PHE 68 1HB PHE 68 -4.031 -0.657 1.198 488 2HB PHE 68 2HB PHE 68 -5.210 -1.558 2.130 489 HD1 PHE 68 HD1 PHE 68 -6.396 -3.520 0.873 490 HD2 PHE 68 HD2 PHE 68 -2.742 -1.765 -0.382 491 HE1 PHE 68 HE1 PHE 68 -5.853 -5.589 -0.440 492 HE2 PHE 68 HE2 PHE 68 -2.199 -3.834 -1.695 493 HZ PHE 68 HZ PHE 68 -3.761 -5.721 -1.708 494 H LEU 69 H LEU 69 -8.123 -1.723 1.373 495 HA LEU 69 HA LEU 69 -8.403 -3.682 -0.504 496 1HB LEU 69 1HB LEU 69 -10.230 -2.297 1.395 497 2HB LEU 69 2HB LEU 69 -10.953 -3.328 0.176 498 HG LEU 69 HG LEU 69 -8.775 -4.268 2.055 499 1HD1 LEU 69 2HD1 LEU 69 -11.444 -3.605 2.728 500 2HD1 LEU 69 3HD1 LEU 69 -11.337 -5.382 2.696 501 3HD1 LEU 69 1HD1 LEU 69 -10.226 -4.441 3.721 502 1HD2 LEU 69 3HD2 LEU 69 -9.141 -5.502 -0.109 503 2HD2 LEU 69 1HD2 LEU 69 -9.343 -6.473 1.369 504 3HD2 LEU 69 2HD2 LEU 69 -10.774 -5.902 0.478 505 H THR 70 H THR 70 -9.032 -0.236 -0.792 506 HA THR 70 HA THR 70 -10.763 -0.490 -3.064 507 HB THR 70 HB THR 70 -10.998 1.446 -1.620 508 HG1 THR 70 HG1 THR 70 -9.337 2.216 -3.907 509 1HG2 THR 70 2HG2 THR 70 -8.095 1.310 -1.505 510 2HG2 THR 70 3HG2 THR 70 -8.581 2.907 -2.124 511 3HG2 THR 70 1HG2 THR 70 -9.189 2.339 -0.550 512 H MET 71 H MET 71 -7.257 -0.125 -2.494 513 HA MET 71 HA MET 71 -6.517 0.670 -4.994 514 1HB MET 71 1HB MET 71 -5.301 -0.347 -2.611 515 2HB MET 71 2HB MET 71 -4.701 -1.371 -3.900 516 1HG MET 71 1HG MET 71 -4.647 1.381 -4.817 517 2HG MET 71 2HG MET 71 -3.880 1.306 -3.243 518 1HE MET 71 3HE MET 71 -2.965 1.735 -6.449 519 2HE MET 71 1HE MET 71 -1.937 0.417 -7.064 520 3HE MET 71 2HE MET 71 -3.705 0.214 -7.004 521 H MET 72 H MET 72 -6.707 -2.748 -3.749 522 HA MET 72 HA MET 72 -6.148 -3.870 -6.233 523 1HB MET 72 1HB MET 72 -7.644 -4.973 -3.790 524 2HB MET 72 2HB MET 72 -7.069 -5.971 -5.110 525 1HG MET 72 1HG MET 72 -4.923 -4.237 -4.106 526 2HG MET 72 2HG MET 72 -5.608 -5.194 -2.808 527 1HE MET 72 2HE MET 72 -2.803 -5.134 -3.941 528 2HE MET 72 3HE MET 72 -2.245 -6.660 -4.667 529 3HE MET 72 1HE MET 72 -2.946 -5.389 -5.697 530 H ALA 73 H ALA 73 -9.124 -2.651 -4.750 531 HA ALA 73 HA ALA 73 -10.929 -4.074 -6.389 532 1HB ALA 73 3HB ALA 73 -10.960 -2.030 -4.314 533 2HB ALA 73 1HB ALA 73 -12.116 -1.644 -5.611 534 3HB ALA 73 2HB ALA 73 -12.218 -3.205 -4.763 535 H ARG 74 H ARG 74 -9.254 -0.890 -6.630 536 HA ARG 74 HA ARG 74 -10.584 -0.396 -9.118 537 1HB ARG 74 1HB ARG 74 -9.267 1.187 -7.104 538 2HB ARG 74 2HB ARG 74 -8.397 1.447 -8.603 539 1HG ARG 74 1HG ARG 74 -10.110 2.643 -9.518 540 2HG ARG 74 2HG ARG 74 -11.308 1.460 -9.033 541 1HD ARG 74 1HD ARG 74 -11.808 3.545 -7.876 542 2HD ARG 74 2HD ARG 74 -11.230 2.397 -6.684 543 HE ARG 74 HE ARG 74 -8.903 3.645 -7.396 544 1HH1 ARG 74 2HH2 ARG 74 -12.060 4.917 -6.504 545 2HH1 ARG 74 1HH2 ARG 74 -11.423 6.381 -5.834 546 1HH2 ARG 74 1HH1 ARG 74 -9.133 6.760 -5.839 547 2HH2 ARG 74 2HH1 ARG 74 -8.062 5.577 -6.513 548 H LYS 75 H LYS 75 -8.993 -2.783 -9.120 549 HA LYS 75 HA LYS 75 -6.392 -2.313 -10.089 550 1HB LYS 75 1HB LYS 75 -8.206 -4.608 -9.703 551 2HB LYS 75 2HB LYS 75 -7.079 -4.797 -11.031 552 1HG LYS 75 1HG LYS 75 -5.726 -3.625 -8.717 553 2HG LYS 75 2HG LYS 75 -6.536 -5.110 -8.257 554 1HD LYS 75 1HD LYS 75 -5.195 -5.430 -10.842 555 2HD LYS 75 2HD LYS 75 -4.064 -4.863 -9.630 556 1HE LYS 75 1HE LYS 75 -4.204 -7.369 -9.721 557 2HE LYS 75 2HE LYS 75 -4.612 -6.730 -8.141 558 1HZ LYS 75 2HZ LYS 75 -6.973 -6.757 -9.415 559 2HZ LYS 75 3HZ LYS 75 -6.264 -8.107 -10.000 560 3HZ LYS 75 1HZ LYS 75 -6.449 -7.914 -8.389 No H/Q in entry = 560 Start of MODEL 23 1 H MET 0 H MET 0 -22.181 -16.348 6.908 2 HA MET 0 HA MET 0 -23.796 -18.051 6.914 3 1HB MET 0 1HB MET 0 -23.629 -17.799 9.647 4 2HB MET 0 2HB MET 0 -25.129 -16.935 9.378 5 1HG MET 0 1HG MET 0 -25.953 -18.952 8.033 6 2HG MET 0 2HG MET 0 -24.511 -19.808 8.542 7 1HE MET 0 2HE MET 0 -24.857 -21.409 9.696 8 2HE MET 0 3HE MET 0 -24.765 -21.157 11.455 9 3HE MET 0 1HE MET 0 -26.266 -21.770 10.721 10 H ALA 1 H ALA 1 -24.187 -16.551 5.102 11 HA ALA 1 HA ALA 1 -26.738 -15.572 5.007 12 1HB ALA 1 3HB ALA 1 -24.707 -13.531 5.936 13 2HB ALA 1 1HB ALA 1 -26.129 -13.041 4.984 14 3HB ALA 1 2HB ALA 1 -26.345 -13.845 6.558 15 H ASP 2 H ASP 2 -27.008 -14.051 3.001 16 HA ASP 2 HA ASP 2 -25.662 -15.288 0.914 17 1HB ASP 2 1HB ASP 2 -27.460 -12.868 1.184 18 2HB ASP 2 2HB ASP 2 -26.661 -13.155 -0.350 19 H GLN 3 H GLN 3 -24.560 -13.757 -0.901 20 HA GLN 3 HA GLN 3 -22.888 -12.513 -1.504 21 1HB GLN 3 1HB GLN 3 -24.329 -10.868 0.284 22 2HB GLN 3 2HB GLN 3 -22.654 -10.669 0.759 23 1HG GLN 3 1HG GLN 3 -22.014 -10.064 -1.537 24 2HG GLN 3 2HG GLN 3 -23.623 -10.431 -2.127 25 1HE2 GLN 3 1HE2 GLN 3 -24.350 -8.533 -2.796 26 2HE2 GLN 3 2HE2 GLN 3 -24.507 -7.098 -1.839 27 H LEU 4 H LEU 4 -20.624 -12.642 -1.379 28 HA LEU 4 HA LEU 4 -19.524 -14.479 0.344 29 1HB LEU 4 1HB LEU 4 -17.343 -13.510 -0.410 30 2HB LEU 4 2HB LEU 4 -18.437 -14.035 -1.674 31 HG LEU 4 HG LEU 4 -18.959 -11.273 -1.206 32 1HD1 LEU 4 1HD1 LEU 4 -16.566 -11.501 -0.191 33 2HD1 LEU 4 2HD1 LEU 4 -16.054 -11.591 -1.893 34 3HD1 LEU 4 3HD1 LEU 4 -16.938 -10.163 -1.303 35 1HD2 LEU 4 1HD2 LEU 4 -17.892 -12.961 -3.443 36 2HD2 LEU 4 2HD2 LEU 4 -19.411 -12.040 -3.329 37 3HD2 LEU 4 3HD2 LEU 4 -17.870 -11.187 -3.586 38 H THR 5 H THR 5 -17.329 -13.641 1.652 39 HA THR 5 HA THR 5 -17.931 -11.325 3.263 40 HB THR 5 HB THR 5 -18.577 -12.427 5.210 41 HG1 THR 5 HG1 THR 5 -17.045 -14.632 4.021 42 1HG2 THR 5 2HG2 THR 5 -19.166 -14.610 3.140 43 2HG2 THR 5 3HG2 THR 5 -19.889 -14.508 4.763 44 3HG2 THR 5 1HG2 THR 5 -20.253 -13.260 3.547 45 H GLU 6 H GLU 6 -16.199 -12.024 5.433 46 HA GLU 6 HA GLU 6 -13.853 -11.130 4.528 47 1HB GLU 6 1HB GLU 6 -14.336 -13.095 6.808 48 2HB GLU 6 2HB GLU 6 -12.835 -12.221 6.578 49 1HG GLU 6 1HG GLU 6 -14.127 -10.049 6.686 50 2HG GLU 6 2HG GLU 6 -15.585 -10.964 7.018 51 H GLU 7 H GLU 7 -15.005 -14.530 4.545 52 HA GLU 7 HA GLU 7 -12.826 -15.952 4.140 53 1HB GLU 7 1HB GLU 7 -15.473 -16.099 2.651 54 2HB GLU 7 2HB GLU 7 -14.235 -17.324 2.458 55 1HG GLU 7 1HG GLU 7 -14.518 -16.885 5.278 56 2HG GLU 7 2HG GLU 7 -16.140 -16.997 4.625 57 H GLN 8 H GLN 8 -14.301 -13.704 1.765 58 HA GLN 8 HA GLN 8 -12.491 -14.496 -0.280 59 1HB GLN 8 1HB GLN 8 -14.631 -12.380 0.011 60 2HB GLN 8 2HB GLN 8 -13.502 -12.275 -1.325 61 1HG GLN 8 1HG GLN 8 -15.224 -14.716 -0.680 62 2HG GLN 8 2HG GLN 8 -15.583 -13.537 -1.926 63 1HE2 GLN 8 2HE2 GLN 8 -13.308 -16.688 -2.755 64 2HE2 GLN 8 1HE2 GLN 8 -14.399 -16.501 -1.423 65 H ILE 9 H ILE 9 -12.878 -11.699 1.977 66 HA ILE 9 HA ILE 9 -10.777 -10.177 0.976 67 HB ILE 9 HB ILE 9 -12.702 -9.808 2.797 68 1HG1 ILE 9 1HG1 ILE 9 -11.009 -7.814 3.534 69 2HG1 ILE 9 2HG1 ILE 9 -10.223 -8.354 2.064 70 1HG2 ILE 9 3HG2 ILE 9 -10.191 -10.321 4.411 71 2HG2 ILE 9 1HG2 ILE 9 -11.619 -9.447 5.017 72 3HG2 ILE 9 2HG2 ILE 9 -11.758 -11.156 4.540 73 1HD1 ILE 9 2HD1 ILE 9 -13.211 -8.022 1.972 74 2HD1 ILE 9 3HD1 ILE 9 -12.214 -6.548 2.022 75 3HD1 ILE 9 1HD1 ILE 9 -11.997 -7.725 0.704 76 H ALA 10 H ALA 10 -10.874 -12.897 3.317 77 HA ALA 10 HA ALA 10 -8.451 -12.774 4.469 78 1HB ALA 10 2HB ALA 10 -10.449 -14.711 4.016 79 2HB ALA 10 3HB ALA 10 -8.931 -15.465 3.473 80 3HB ALA 10 1HB ALA 10 -9.067 -14.833 5.131 81 H GLU 11 H GLU 11 -9.188 -13.699 1.074 82 HA GLU 11 HA GLU 11 -6.576 -14.523 0.505 83 1HB GLU 11 1HB GLU 11 -8.811 -13.556 -1.331 84 2HB GLU 11 2HB GLU 11 -7.334 -14.311 -1.894 85 1HG GLU 11 1HG GLU 11 -7.866 -16.355 -0.546 86 2HG GLU 11 2HG GLU 11 -9.345 -15.600 0.012 87 H PHE 12 H PHE 12 -8.341 -11.398 0.208 88 HA PHE 12 HA PHE 12 -6.350 -10.051 -1.217 89 1HB PHE 12 1HB PHE 12 -8.638 -9.359 0.687 90 2HB PHE 12 2HB PHE 12 -7.604 -8.070 0.104 91 HD1 PHE 12 HD2 PHE 12 -9.308 -11.036 -1.419 92 HD2 PHE 12 HD1 PHE 12 -8.503 -6.875 -1.635 93 HE1 PHE 12 HE2 PHE 12 -10.684 -10.878 -3.512 94 HE2 PHE 12 HE1 PHE 12 -9.879 -6.718 -3.729 95 HZ PHE 12 HZ PHE 12 -10.953 -8.721 -4.642 96 H LYS 13 H LYS 13 -6.772 -10.797 2.243 97 HA LYS 13 HA LYS 13 -5.296 -8.944 3.495 98 1HB LYS 13 1HB LYS 13 -5.339 -11.943 3.911 99 2HB LYS 13 2HB LYS 13 -4.563 -10.834 5.023 100 1HG LYS 13 1HG LYS 13 -6.861 -9.551 5.003 101 2HG LYS 13 2HG LYS 13 -7.511 -11.024 4.312 102 1HD LYS 13 1HD LYS 13 -7.184 -12.262 6.261 103 2HD LYS 13 2HD LYS 13 -5.785 -11.330 6.753 104 1HE LYS 13 1HE LYS 13 -7.092 -10.077 8.117 105 2HE LYS 13 2HE LYS 13 -8.008 -9.516 6.733 106 1HZ LYS 13 1HZ LYS 13 -8.942 -12.006 7.131 107 2HZ LYS 13 2HZ LYS 13 -8.700 -11.483 8.659 108 3HZ LYS 13 3HZ LYS 13 -9.664 -10.636 7.648 109 H GLU 14 H GLU 14 -3.848 -11.960 2.061 110 HA GLU 14 HA GLU 14 -1.267 -11.355 2.464 111 1HB GLU 14 1HB GLU 14 -2.585 -12.737 0.095 112 2HB GLU 14 2HB GLU 14 -0.846 -12.699 0.308 113 1HG GLU 14 1HG GLU 14 -1.617 -13.522 2.813 114 2HG GLU 14 2HG GLU 14 -2.918 -14.202 1.856 115 H ALA 15 H ALA 15 -3.451 -10.054 -0.061 116 HA ALA 15 HA ALA 15 -1.552 -8.881 -1.700 117 1HB ALA 15 1HB ALA 15 -4.286 -9.099 -1.625 118 2HB ALA 15 2HB ALA 15 -4.064 -7.370 -1.266 119 3HB ALA 15 3HB ALA 15 -3.388 -8.063 -2.760 120 H PHE 16 H PHE 16 -3.359 -7.471 1.122 121 HA PHE 16 HA PHE 16 -2.086 -5.010 1.057 122 1HB PHE 16 1HB PHE 16 -4.166 -5.825 2.360 123 2HB PHE 16 2HB PHE 16 -3.082 -6.655 3.459 124 HD1 PHE 16 HD1 PHE 16 -3.724 -3.248 2.080 125 HD2 PHE 16 HD2 PHE 16 -2.367 -5.560 5.370 126 HE1 PHE 16 HE1 PHE 16 -3.534 -1.164 3.466 127 HE2 PHE 16 HE2 PHE 16 -2.176 -3.476 6.756 128 HZ PHE 16 HZ PHE 16 -2.762 -1.303 5.787 129 H SER 17 H SER 17 -1.089 -8.155 2.417 130 HA SER 17 HA SER 17 0.848 -7.210 4.138 131 1HB SER 17 1HB SER 17 0.523 -9.449 4.508 132 2HB SER 17 2HB SER 17 0.168 -9.785 2.825 133 HG SER 17 HG SER 17 2.230 -10.700 3.727 134 H LEU 18 H LEU 18 1.057 -8.277 0.673 135 HA LEU 18 HA LEU 18 3.680 -8.127 0.187 136 1HB LEU 18 1HB LEU 18 1.233 -7.728 -1.333 137 2HB LEU 18 2HB LEU 18 2.566 -6.798 -1.988 138 HG LEU 18 HG LEU 18 3.796 -9.193 -1.647 139 1HD1 LEU 18 1HD1 LEU 18 1.511 -10.092 -0.872 140 2HD1 LEU 18 2HD1 LEU 18 1.057 -10.018 -2.592 141 3HD1 LEU 18 3HD1 LEU 18 2.427 -11.032 -2.076 142 1HD2 LEU 18 1HD2 LEU 18 2.290 -8.026 -3.976 143 2HD2 LEU 18 2HD2 LEU 18 4.044 -8.101 -3.683 144 3HD2 LEU 18 3HD2 LEU 18 3.151 -9.577 -4.121 145 H PHE 19 H PHE 19 1.474 -5.240 -0.012 146 HA PHE 19 HA PHE 19 3.590 -3.428 -0.295 147 1HB PHE 19 1HB PHE 19 0.659 -3.375 0.571 148 2HB PHE 19 2HB PHE 19 1.593 -1.894 0.639 149 HD1 PHE 19 HD2 PHE 19 2.881 -1.299 -1.593 150 HD2 PHE 19 HD1 PHE 19 -0.485 -3.872 -1.374 151 HE1 PHE 19 HE2 PHE 19 2.413 -0.893 -4.025 152 HE2 PHE 19 HE1 PHE 19 -0.954 -3.466 -3.806 153 HZ PHE 19 HZ PHE 19 0.501 -1.982 -5.103 154 H ASP 20 H ASP 20 1.652 -4.493 2.575 155 HA ASP 20 HA ASP 20 3.024 -2.746 4.302 156 1HB ASP 20 1HB ASP 20 0.851 -3.428 4.999 157 2HB ASP 20 2HB ASP 20 1.165 -5.115 4.645 158 H LYS 21 H LYS 21 5.312 -3.315 3.811 159 HA LYS 21 HA LYS 21 6.131 -6.019 4.462 160 1HB LYS 21 1HB LYS 21 7.070 -3.936 2.743 161 2HB LYS 21 2HB LYS 21 8.338 -4.289 3.899 162 1HG LYS 21 1HG LYS 21 6.860 -6.505 2.422 163 2HG LYS 21 2HG LYS 21 8.267 -5.720 1.733 164 1HD LYS 21 1HD LYS 21 9.730 -6.599 3.342 165 2HD LYS 21 2HD LYS 21 8.480 -6.740 4.563 166 1HE LYS 21 1HE LYS 21 7.697 -8.436 2.381 167 2HE LYS 21 2HE LYS 21 9.398 -8.743 2.673 168 1HZ LYS 21 3HZ LYS 21 7.749 -8.547 5.022 169 2HZ LYS 21 1HZ LYS 21 7.469 -9.847 4.074 170 3HZ LYS 21 2HZ LYS 21 8.962 -9.586 4.683 171 H ASP 22 H ASP 22 5.005 -3.893 6.432 172 HA ASP 22 HA ASP 22 7.326 -3.894 8.194 173 1HB ASP 22 1HB ASP 22 6.386 -1.971 9.299 174 2HB ASP 22 2HB ASP 22 6.279 -1.658 7.579 175 H GLY 23 H GLY 23 4.111 -5.090 7.540 176 1HA GLY 23 1HA GLY 23 2.677 -6.401 8.668 177 2HA GLY 23 2HA GLY 23 4.069 -6.973 9.565 178 H ASP 24 H ASP 24 1.526 -4.431 9.444 179 HA ASP 24 HA ASP 24 1.619 -4.395 12.327 180 1HB ASP 24 1HB ASP 24 1.527 -1.913 12.387 181 2HB ASP 24 2HB ASP 24 3.024 -2.481 11.674 182 H GLY 25 H GLY 25 0.144 -3.304 9.210 183 1HA GLY 25 1HA GLY 25 -2.239 -4.192 9.089 184 2HA GLY 25 2HA GLY 25 -2.503 -3.200 10.510 185 H THR 26 H THR 26 -0.146 -1.520 8.905 186 HA THR 26 HA THR 26 -2.059 -0.127 7.158 187 HB THR 26 HB THR 26 -1.290 1.999 8.069 188 HG1 THR 26 HG1 THR 26 0.934 1.437 8.397 189 1HG2 THR 26 1HG2 THR 26 -1.666 -0.035 10.329 190 2HG2 THR 26 2HG2 THR 26 -1.646 1.729 10.567 191 3HG2 THR 26 3HG2 THR 26 -2.935 0.977 9.597 192 H ILE 27 H ILE 27 -1.027 1.193 5.459 193 HA ILE 27 HA ILE 27 1.623 0.119 4.790 194 HB ILE 27 HB ILE 27 -0.764 0.493 2.981 195 1HG1 ILE 27 1HG1 ILE 27 0.817 -1.991 3.706 196 2HG1 ILE 27 2HG1 ILE 27 -0.750 -1.566 4.365 197 1HG2 ILE 27 1HG2 ILE 27 1.485 1.242 2.031 198 2HG2 ILE 27 2HG2 ILE 27 1.962 -0.471 2.117 199 3HG2 ILE 27 3HG2 ILE 27 0.576 0.017 1.113 200 1HD1 ILE 27 1HD1 ILE 27 -0.252 -1.837 1.370 201 2HD1 ILE 27 2HD1 ILE 27 -0.795 -3.189 2.392 202 3HD1 ILE 27 3HD1 ILE 27 -1.821 -1.746 2.206 203 H THR 28 H THR 28 2.840 1.885 5.428 204 HA THR 28 HA THR 28 1.987 4.550 4.966 205 HB THR 28 HB THR 28 3.535 3.844 6.796 206 HG1 THR 28 HG1 THR 28 4.090 5.945 6.343 207 1HG2 THR 28 2HG2 THR 28 4.916 2.509 4.644 208 2HG2 THR 28 3HG2 THR 28 5.982 3.799 5.250 209 3HG2 THR 28 1HG2 THR 28 5.368 2.554 6.365 210 H THR 29 H THR 29 4.638 5.506 3.975 211 HA THR 29 HA THR 29 3.984 5.213 1.150 212 HB THR 29 HB THR 29 5.810 7.122 1.126 213 HG1 THR 29 HG1 THR 29 6.549 7.494 3.177 214 1HG2 THR 29 2HG2 THR 29 3.228 7.544 2.722 215 2HG2 THR 29 3HG2 THR 29 4.188 8.818 1.932 216 3HG2 THR 29 1HG2 THR 29 3.340 7.602 0.947 217 H LYS 30 H LYS 30 6.873 4.923 3.321 218 HA LYS 30 HA LYS 30 8.603 4.004 1.378 219 1HB LYS 30 1HB LYS 30 8.975 4.735 3.854 220 2HB LYS 30 2HB LYS 30 8.716 3.043 4.230 221 1HG LYS 30 1HG LYS 30 10.515 2.427 2.574 222 2HG LYS 30 2HG LYS 30 10.798 4.130 2.275 223 1HD LYS 30 1HD LYS 30 12.069 4.335 4.147 224 2HD LYS 30 2HD LYS 30 10.827 3.608 5.148 225 1HE LYS 30 1HE LYS 30 12.611 1.910 3.356 226 2HE LYS 30 2HE LYS 30 13.115 2.372 4.969 227 1HZ LYS 30 3HZ LYS 30 10.556 1.042 4.431 228 2HZ LYS 30 1HZ LYS 30 11.922 0.227 4.799 229 3HZ LYS 30 2HZ LYS 30 11.273 1.263 5.882 230 H GLU 31 H GLU 31 5.894 2.423 2.982 231 HA GLU 31 HA GLU 31 6.818 -0.172 2.171 232 1HB GLU 31 1HB GLU 31 4.272 0.764 3.562 233 2HB GLU 31 2HB GLU 31 4.609 -0.915 3.190 234 1HG GLU 31 1HG GLU 31 6.921 0.282 4.506 235 2HG GLU 31 2HG GLU 31 5.482 0.567 5.466 236 H LEU 32 H LEU 32 4.978 2.472 0.887 237 HA LEU 32 HA LEU 32 3.440 0.780 -0.892 238 1HB LEU 32 1HB LEU 32 2.652 2.929 0.285 239 2HB LEU 32 2HB LEU 32 3.584 3.783 -0.928 240 HG LEU 32 HG LEU 32 2.176 2.270 -2.597 241 1HD1 LEU 32 3HD1 LEU 32 1.110 1.232 -0.403 242 2HD1 LEU 32 1HD1 LEU 32 0.030 2.638 -0.556 243 3HD1 LEU 32 2HD1 LEU 32 0.161 1.467 -1.890 244 1HD2 LEU 32 1HD2 LEU 32 2.010 4.934 -1.605 245 2HD2 LEU 32 2HD2 LEU 32 1.517 4.299 -3.193 246 3HD2 LEU 32 3HD2 LEU 32 0.354 4.328 -1.846 247 H GLY 33 H GLY 33 6.415 2.698 -0.801 248 1HA GLY 33 1HA GLY 33 6.714 2.546 -3.706 249 2HA GLY 33 2HA GLY 33 7.728 3.418 -2.573 250 H THR 34 H THR 34 7.217 0.508 -1.049 251 HA THR 34 HA THR 34 9.826 -0.449 -1.813 252 HB THR 34 HB THR 34 7.772 -0.917 0.331 253 HG1 THR 34 HG1 THR 34 9.549 0.045 1.229 254 1HG2 THR 34 1HG2 THR 34 9.588 -3.046 -0.796 255 2HG2 THR 34 2HG2 THR 34 9.543 -2.863 0.974 256 3HG2 THR 34 3HG2 THR 34 8.048 -3.226 0.078 257 H VAL 35 H VAL 35 6.515 -1.942 -1.745 258 HA VAL 35 HA VAL 35 7.127 -4.242 -3.048 259 HB VAL 35 HB VAL 35 4.733 -2.520 -2.752 260 1HG1 VAL 35 2HG1 VAL 35 4.601 -3.090 -5.136 261 2HG1 VAL 35 3HG1 VAL 35 4.804 -4.814 -4.743 262 3HG1 VAL 35 1HG1 VAL 35 3.350 -3.943 -4.201 263 1HG2 VAL 35 3HG2 VAL 35 5.322 -5.458 -2.258 264 2HG2 VAL 35 1HG2 VAL 35 5.279 -4.156 -1.046 265 3HG2 VAL 35 2HG2 VAL 35 3.784 -4.646 -1.878 266 H MET 36 H MET 36 6.850 -0.946 -4.364 267 HA MET 36 HA MET 36 6.652 -1.705 -7.038 268 1HB MET 36 1HB MET 36 7.842 0.810 -5.737 269 2HB MET 36 2HB MET 36 7.411 0.687 -7.431 270 1HG MET 36 1HG MET 36 5.168 -0.160 -5.746 271 2HG MET 36 2HG MET 36 5.708 1.442 -5.285 272 1HE MET 36 3HE MET 36 3.039 0.823 -6.188 273 2HE MET 36 1HE MET 36 2.546 1.511 -7.754 274 3HE MET 36 2HE MET 36 3.127 -0.169 -7.663 275 H ARG 37 H ARG 37 9.429 -1.167 -4.831 276 HA ARG 37 HA ARG 37 11.471 -0.869 -6.475 277 1HB ARG 37 1HB ARG 37 11.300 -2.791 -4.101 278 2HB ARG 37 2HB ARG 37 12.814 -2.306 -4.838 279 1HG ARG 37 1HG ARG 37 10.792 -0.297 -3.750 280 2HG ARG 37 2HG ARG 37 12.088 -0.959 -2.774 281 1HD ARG 37 1HD ARG 37 13.725 0.260 -3.865 282 2HD ARG 37 2HD ARG 37 12.942 0.122 -5.427 283 HE ARG 37 HE ARG 37 11.209 1.768 -4.077 284 1HH1 ARG 37 2HH2 ARG 37 14.700 1.854 -4.513 285 2HH1 ARG 37 1HH2 ARG 37 14.799 3.581 -4.410 286 1HH2 ARG 37 2HH1 ARG 37 11.339 4.045 -3.941 287 2HH2 ARG 37 1HH1 ARG 37 12.874 4.835 -4.082 288 H SER 38 H SER 38 9.566 -3.862 -5.979 289 HA SER 38 HA SER 38 11.301 -5.608 -7.235 290 1HB SER 38 1HB SER 38 8.962 -5.880 -5.899 291 2HB SER 38 2HB SER 38 8.341 -6.015 -7.532 292 HG SER 38 HG SER 38 9.361 -7.980 -6.157 293 H LEU 39 H LEU 39 8.492 -3.686 -8.497 294 HA LEU 39 HA LEU 39 8.815 -4.616 -11.151 295 1HB LEU 39 1HB LEU 39 6.995 -3.009 -9.646 296 2HB LEU 39 2HB LEU 39 7.468 -2.114 -11.077 297 HG LEU 39 HG LEU 39 6.871 -4.195 -12.426 298 1HD1 LEU 39 1HD1 LEU 39 6.820 -5.536 -10.133 299 2HD1 LEU 39 2HD1 LEU 39 5.109 -5.047 -10.176 300 3HD1 LEU 39 3HD1 LEU 39 5.800 -5.989 -11.519 301 1HD2 LEU 39 1HD2 LEU 39 4.689 -2.724 -10.922 302 2HD2 LEU 39 2HD2 LEU 39 5.481 -2.207 -12.430 303 3HD2 LEU 39 3HD2 LEU 39 4.463 -3.667 -12.415 304 H GLY 40 H GLY 40 10.461 -2.281 -9.161 305 1HA GLY 40 1HA GLY 40 12.426 -1.229 -9.701 306 2HA GLY 40 2HA GLY 40 12.180 -1.593 -11.397 307 H GLN 41 H GLN 41 9.374 -0.303 -9.773 308 HA GLN 41 HA GLN 41 9.450 1.979 -11.423 309 1HB GLN 41 1HB GLN 41 7.561 0.684 -9.559 310 2HB GLN 41 2HB GLN 41 7.453 2.433 -9.525 311 1HG GLN 41 1HG GLN 41 7.276 2.426 -12.053 312 2HG GLN 41 2HG GLN 41 7.264 0.674 -12.015 313 1HE2 GLN 41 2HE2 GLN 41 4.004 0.298 -10.689 314 2HE2 GLN 41 1HE2 GLN 41 5.579 -0.410 -10.825 315 H ASN 42 H ASN 42 10.150 1.276 -7.979 316 HA ASN 42 HA ASN 42 10.700 2.609 -6.310 317 1HB ASN 42 1HB ASN 42 12.647 4.002 -8.168 318 2HB ASN 42 2HB ASN 42 12.930 3.378 -6.555 319 1HD2 ASN 42 2HD2 ASN 42 14.541 1.227 -9.200 320 2HD2 ASN 42 1HD2 ASN 42 14.527 2.923 -8.850 321 HA PRO 43 HA PRO 43 8.572 6.373 -7.832 322 1HB PRO 43 1HB PRO 43 6.405 6.288 -6.169 323 2HB PRO 43 2HB PRO 43 6.396 5.620 -7.790 324 1HG PRO 43 1HG PRO 43 6.539 4.200 -5.201 325 2HG PRO 43 2HG PRO 43 6.107 3.568 -6.777 326 1HD PRO 43 1HD PRO 43 8.606 3.217 -5.414 327 2HD PRO 43 2HD PRO 43 8.213 2.684 -7.036 328 H THR 44 H THR 44 8.239 8.492 -6.893 329 HA THR 44 HA THR 44 10.058 8.774 -4.663 330 HB THR 44 HB THR 44 9.510 11.258 -5.178 331 HG1 THR 44 HG1 THR 44 8.270 11.451 -7.179 332 1HG2 THR 44 1HG2 THR 44 10.803 9.278 -7.018 333 2HG2 THR 44 2HG2 THR 44 10.332 10.823 -7.766 334 3HG2 THR 44 3HG2 THR 44 11.444 10.810 -6.377 335 H GLU 45 H GLU 45 9.548 9.951 -2.699 336 HA GLU 45 HA GLU 45 7.325 8.905 -1.468 337 1HB GLU 45 1HB GLU 45 9.519 10.708 -0.805 338 2HB GLU 45 2HB GLU 45 8.038 11.263 -0.050 339 1HG GLU 45 1HG GLU 45 7.696 9.142 1.068 340 2HG GLU 45 2HG GLU 45 8.925 8.351 0.100 341 H ALA 46 H ALA 46 7.660 11.659 -3.585 342 HA ALA 46 HA ALA 46 5.406 13.097 -2.588 343 1HB ALA 46 3HB ALA 46 7.545 13.767 -4.082 344 2HB ALA 46 1HB ALA 46 6.385 13.443 -5.392 345 3HB ALA 46 2HB ALA 46 6.010 14.665 -4.153 346 H GLU 47 H GLU 47 6.065 10.807 -5.309 347 HA GLU 47 HA GLU 47 3.560 10.983 -6.443 348 1HB GLU 47 1HB GLU 47 5.428 9.945 -7.611 349 2HB GLU 47 2HB GLU 47 5.583 8.706 -6.382 350 1HG GLU 47 1HG GLU 47 4.152 7.413 -7.572 351 2HG GLU 47 2HG GLU 47 2.875 8.558 -7.210 352 H LEU 48 H LEU 48 4.852 8.403 -4.217 353 HA LEU 48 HA LEU 48 2.620 6.937 -3.874 354 1HB LEU 48 1HB LEU 48 4.576 7.738 -1.715 355 2HB LEU 48 2HB LEU 48 3.494 6.360 -1.663 356 HG LEU 48 HG LEU 48 5.461 6.597 -3.920 357 1HD1 LEU 48 3HD1 LEU 48 6.113 5.683 -1.109 358 2HD1 LEU 48 1HD1 LEU 48 7.105 5.316 -2.540 359 3HD1 LEU 48 2HD1 LEU 48 6.870 7.005 -2.029 360 1HD2 LEU 48 2HD2 LEU 48 3.707 4.543 -2.760 361 2HD2 LEU 48 3HD2 LEU 48 4.352 4.714 -4.410 362 3HD2 LEU 48 1HD2 LEU 48 5.353 3.979 -3.134 363 H GLN 49 H GLN 49 3.503 9.798 -1.808 364 HA GLN 49 HA GLN 49 1.358 9.907 -0.252 365 1HB GLN 49 1HB GLN 49 3.428 11.625 -0.873 366 2HB GLN 49 2HB GLN 49 2.046 12.556 -1.414 367 1HG GLN 49 1HG GLN 49 2.094 13.202 0.820 368 2HG GLN 49 2HG GLN 49 1.014 11.827 0.939 369 1HE2 GLN 49 2HE2 GLN 49 2.967 10.334 3.359 370 2HE2 GLN 49 1HE2 GLN 49 1.418 10.811 2.748 371 H ASP 50 H ASP 50 1.545 11.169 -3.641 372 HA ASP 50 HA ASP 50 -1.005 12.227 -3.678 373 1HB ASP 50 1HB ASP 50 1.148 11.671 -5.548 374 2HB ASP 50 2HB ASP 50 -0.371 11.202 -6.285 375 H MET 51 H MET 51 0.343 8.961 -4.404 376 HA MET 51 HA MET 51 -2.041 7.933 -5.466 377 1HB MET 51 1HB MET 51 0.295 6.466 -4.118 378 2HB MET 51 2HB MET 51 -0.853 5.748 -5.230 379 1HG MET 51 1HG MET 51 -0.010 7.000 -7.098 380 2HG MET 51 2HG MET 51 0.829 8.142 -6.066 381 1HE MET 51 2HE MET 51 1.743 6.252 -8.590 382 2HE MET 51 3HE MET 51 2.770 4.870 -8.140 383 3HE MET 51 1HE MET 51 1.004 4.767 -7.946 384 H ILE 52 H ILE 52 -0.407 7.479 -2.245 385 HA ILE 52 HA ILE 52 -2.223 5.862 -1.053 386 HB ILE 52 HB ILE 52 -0.396 8.010 -0.082 387 1HG1 ILE 52 1HG1 ILE 52 -0.519 5.032 -0.115 388 2HG1 ILE 52 2HG1 ILE 52 0.824 6.108 -0.442 389 1HG2 ILE 52 3HG2 ILE 52 -2.386 6.542 1.667 390 2HG2 ILE 52 1HG2 ILE 52 -0.982 7.460 2.260 391 3HG2 ILE 52 2HG2 ILE 52 -2.288 8.297 1.388 392 1HD1 ILE 52 3HD1 ILE 52 0.875 6.695 2.031 393 2HD1 ILE 52 1HD1 ILE 52 -0.347 5.427 2.290 394 3HD1 ILE 52 2HD1 ILE 52 1.265 4.996 1.670 395 H ASN 53 H ASN 53 -2.393 9.452 -1.426 396 HA ASN 53 HA ASN 53 -4.572 9.927 0.091 397 1HB ASN 53 1HB ASN 53 -3.441 11.144 -2.427 398 2HB ASN 53 2HB ASN 53 -5.050 11.658 -1.961 399 1HD2 ASN 53 2HD2 ASN 53 -2.064 13.580 -0.390 400 2HD2 ASN 53 1HD2 ASN 53 -2.235 12.850 -1.951 401 H GLU 54 H GLU 54 -4.301 8.492 -3.184 402 HA GLU 54 HA GLU 54 -6.971 8.726 -3.901 403 1HB GLU 54 1HB GLU 54 -4.975 6.576 -4.738 404 2HB GLU 54 2HB GLU 54 -6.441 7.005 -5.597 405 1HG GLU 54 1HG GLU 54 -5.415 9.449 -5.602 406 2HG GLU 54 2HG GLU 54 -3.902 8.629 -5.269 407 H VAL 55 H VAL 55 -5.189 6.366 -1.901 408 HA VAL 55 HA VAL 55 -7.716 4.915 -1.519 409 HB VAL 55 HB VAL 55 -5.831 3.243 -0.554 410 1HG1 VAL 55 2HG1 VAL 55 -7.418 3.490 -2.978 411 2HG1 VAL 55 3HG1 VAL 55 -5.903 2.606 -3.280 412 3HG1 VAL 55 1HG1 VAL 55 -7.024 2.045 -2.016 413 1HG2 VAL 55 3HG2 VAL 55 -4.054 4.909 -1.313 414 2HG2 VAL 55 1HG2 VAL 55 -3.850 3.225 -1.853 415 3HG2 VAL 55 2HG2 VAL 55 -4.481 4.450 -2.979 416 H ASP 56 H ASP 56 -7.011 7.465 -0.250 417 HA ASP 56 HA ASP 56 -7.317 6.555 2.439 418 1HB ASP 56 1HB ASP 56 -4.956 6.695 2.573 419 2HB ASP 56 2HB ASP 56 -4.874 8.053 1.468 420 H ALA 57 H ALA 57 -9.298 7.679 2.631 421 HA ALA 57 HA ALA 57 -9.386 10.439 1.686 422 1HB ALA 57 2HB ALA 57 -11.133 8.590 1.149 423 2HB ALA 57 3HB ALA 57 -11.689 8.837 2.822 424 3HB ALA 57 1HB ALA 57 -11.729 10.187 1.663 425 H ASP 58 H ASP 58 -8.639 8.648 4.477 426 HA ASP 58 HA ASP 58 -9.905 10.371 6.337 427 1HB ASP 58 1HB ASP 58 -9.261 8.781 7.837 428 2HB ASP 58 2HB ASP 58 -8.770 7.848 6.438 429 H GLY 59 H GLY 59 -6.711 10.000 4.741 430 1HA GLY 59 1HA GLY 59 -5.066 11.535 4.451 431 2HA GLY 59 2HA GLY 59 -5.975 12.699 5.394 432 H ASN 60 H ASN 60 -5.178 9.393 6.537 433 HA ASN 60 HA ASN 60 -4.031 10.493 8.868 434 1HB ASN 60 1HB ASN 60 -3.670 8.111 9.505 435 2HB ASN 60 2HB ASN 60 -5.292 8.341 8.884 436 1HD2 ASN 60 2HD2 ASN 60 -4.093 5.277 7.309 437 2HD2 ASN 60 1HD2 ASN 60 -4.558 5.874 8.867 438 H GLY 61 H GLY 61 -2.927 9.559 5.686 439 1HA GLY 61 1HA GLY 61 -0.777 10.208 4.945 440 2HA GLY 61 2HA GLY 61 -0.128 9.896 6.542 441 H THR 62 H THR 62 -1.711 7.326 6.835 442 HA THR 62 HA THR 62 -0.009 5.694 5.073 443 HB THR 62 HB THR 62 0.300 5.666 7.642 444 HG1 THR 62 HG1 THR 62 0.991 3.651 7.042 445 1HG2 THR 62 1HG2 THR 62 -2.398 4.243 7.363 446 2HG2 THR 62 2HG2 THR 62 -1.317 4.039 8.763 447 3HG2 THR 62 3HG2 THR 62 -2.029 5.633 8.412 448 H ILE 63 H ILE 63 -1.113 3.298 5.017 449 HA ILE 63 HA ILE 63 -3.871 3.785 4.131 450 HB ILE 63 HB ILE 63 -1.725 2.134 2.796 451 1HG1 ILE 63 1HG1 ILE 63 -2.245 4.841 2.574 452 2HG1 ILE 63 2HG1 ILE 63 -1.378 3.851 1.417 453 1HG2 ILE 63 3HG2 ILE 63 -4.703 2.259 2.365 454 2HG2 ILE 63 1HG2 ILE 63 -3.589 1.847 1.039 455 3HG2 ILE 63 2HG2 ILE 63 -3.639 0.838 2.505 456 1HD1 ILE 63 3HD1 ILE 63 -4.407 3.996 1.331 457 2HD1 ILE 63 1HD1 ILE 63 -3.411 5.259 0.570 458 3HD1 ILE 63 2HD1 ILE 63 -3.275 3.570 0.025 459 H ASP 64 H ASP 64 -5.399 2.196 4.644 460 HA ASP 64 HA ASP 64 -4.370 0.218 6.515 461 1HB ASP 64 1HB ASP 64 -7.210 1.295 6.186 462 2HB ASP 64 2HB ASP 64 -6.692 0.165 7.420 463 H PHE 65 H PHE 65 -6.565 -1.556 6.568 464 HA PHE 65 HA PHE 65 -6.212 -2.926 4.101 465 1HB PHE 65 1HB PHE 65 -6.539 -3.806 6.549 466 2HB PHE 65 2HB PHE 65 -8.232 -3.394 6.368 467 HD1 PHE 65 HD1 PHE 65 -5.824 -5.025 4.024 468 HD2 PHE 65 HD2 PHE 65 -9.437 -5.357 6.226 469 HE1 PHE 65 HE1 PHE 65 -6.257 -7.264 2.976 470 HE2 PHE 65 HE2 PHE 65 -9.870 -7.596 5.178 471 HZ PHE 65 HZ PHE 65 -8.275 -8.523 3.565 472 HA PRO 66 HA PRO 66 -10.763 -1.656 3.651 473 1HB PRO 66 1HB PRO 66 -11.752 0.365 5.203 474 2HB PRO 66 2HB PRO 66 -11.963 -1.332 5.590 475 1HG PRO 66 1HG PRO 66 -10.144 0.640 6.833 476 2HG PRO 66 2HG PRO 66 -10.678 -0.908 7.458 477 1HD PRO 66 1HD PRO 66 -8.121 -0.314 6.302 478 2HD PRO 66 2HD PRO 66 -8.697 -1.885 6.821 479 H GLU 67 H GLU 67 -8.140 0.398 3.938 480 HA GLU 67 HA GLU 67 -9.396 2.339 2.194 481 1HB GLU 67 1HB GLU 67 -6.565 2.509 3.271 482 2HB GLU 67 2HB GLU 67 -7.612 3.817 2.756 483 1HG GLU 67 1HG GLU 67 -8.635 2.110 5.001 484 2HG GLU 67 2HG GLU 67 -7.259 3.129 5.371 485 H PHE 68 H PHE 68 -7.064 -0.315 2.250 486 HA PHE 68 HA PHE 68 -6.033 0.413 -0.361 487 1HB PHE 68 1HB PHE 68 -4.332 -0.488 1.027 488 2HB PHE 68 2HB PHE 68 -5.460 -1.500 1.909 489 HD1 PHE 68 HD1 PHE 68 -6.361 -3.583 0.733 490 HD2 PHE 68 HD2 PHE 68 -3.022 -1.388 -0.695 491 HE1 PHE 68 HE1 PHE 68 -5.628 -5.573 -0.611 492 HE2 PHE 68 HE2 PHE 68 -2.289 -3.377 -2.039 493 HZ PHE 68 HZ PHE 68 -3.601 -5.446 -1.980 494 H LEU 69 H LEU 69 -8.130 -2.024 1.244 495 HA LEU 69 HA LEU 69 -8.373 -3.956 -0.577 496 1HB LEU 69 1HB LEU 69 -10.337 -2.586 1.202 497 2HB LEU 69 2HB LEU 69 -10.940 -3.754 0.043 498 HG LEU 69 HG LEU 69 -8.718 -4.421 1.978 499 1HD1 LEU 69 1HD1 LEU 69 -11.692 -4.417 2.427 500 2HD1 LEU 69 2HD1 LEU 69 -10.641 -5.588 3.260 501 3HD1 LEU 69 3HD1 LEU 69 -10.384 -3.842 3.487 502 1HD2 LEU 69 2HD2 LEU 69 -9.059 -5.864 -0.030 503 2HD2 LEU 69 3HD2 LEU 69 -9.278 -6.706 1.523 504 3HD2 LEU 69 1HD2 LEU 69 -10.698 -6.223 0.563 505 H THR 70 H THR 70 -9.738 -0.637 -0.843 506 HA THR 70 HA THR 70 -11.257 -1.039 -3.134 507 HB THR 70 HB THR 70 -11.430 0.974 -1.744 508 HG1 THR 70 HG1 THR 70 -11.877 1.412 -3.944 509 1HG2 THR 70 3HG2 THR 70 -8.722 0.942 -1.451 510 2HG2 THR 70 1HG2 THR 70 -8.844 2.080 -2.815 511 3HG2 THR 70 2HG2 THR 70 -9.674 2.436 -1.281 512 H MET 71 H MET 71 -7.797 -0.002 -2.845 513 HA MET 71 HA MET 71 -7.205 0.437 -5.388 514 1HB MET 71 1HB MET 71 -5.807 -0.221 -3.006 515 2HB MET 71 2HB MET 71 -5.217 -1.389 -4.173 516 1HG MET 71 1HG MET 71 -5.343 1.213 -5.454 517 2HG MET 71 2HG MET 71 -4.492 1.380 -3.931 518 1HE MET 71 3HE MET 71 -2.658 2.134 -5.885 519 2HE MET 71 1HE MET 71 -2.017 1.552 -4.330 520 3HE MET 71 2HE MET 71 -1.282 1.005 -5.857 521 H MET 72 H MET 72 -7.286 -2.858 -3.859 522 HA MET 72 HA MET 72 -6.586 -4.213 -6.169 523 1HB MET 72 1HB MET 72 -8.279 -5.056 -3.750 524 2HB MET 72 2HB MET 72 -7.640 -6.189 -4.926 525 1HG MET 72 1HG MET 72 -5.506 -4.428 -3.984 526 2HG MET 72 2HG MET 72 -6.315 -5.168 -2.617 527 1HE MET 72 3HE MET 72 -3.859 -5.153 -4.969 528 2HE MET 72 1HE MET 72 -3.078 -6.751 -4.905 529 3HE MET 72 2HE MET 72 -4.302 -6.408 -6.151 530 H ALA 73 H ALA 73 -9.799 -3.286 -4.805 531 HA ALA 73 HA ALA 73 -11.387 -4.711 -6.567 532 1HB ALA 73 2HB ALA 73 -12.150 -3.562 -4.502 533 2HB ALA 73 3HB ALA 73 -11.890 -1.990 -5.295 534 3HB ALA 73 1HB ALA 73 -13.129 -3.106 -5.917 535 H ARG 74 H ARG 74 -9.886 -1.436 -6.852 536 HA ARG 74 HA ARG 74 -10.748 -1.475 -9.630 537 1HB ARG 74 1HB ARG 74 -9.998 0.855 -7.796 538 2HB ARG 74 2HB ARG 74 -10.282 1.046 -9.514 539 1HG ARG 74 1HG ARG 74 -12.503 1.216 -9.103 540 2HG ARG 74 2HG ARG 74 -12.506 -0.444 -8.541 541 1HD ARG 74 1HD ARG 74 -13.406 1.084 -6.799 542 2HD ARG 74 2HD ARG 74 -11.944 0.295 -6.241 543 HE ARG 74 HE ARG 74 -10.801 2.362 -6.309 544 1HH1 ARG 74 2HH2 ARG 74 -13.952 2.660 -7.847 545 2HH1 ARG 74 1HH2 ARG 74 -13.891 4.390 -7.926 546 1HH2 ARG 74 2HH1 ARG 74 -10.721 4.643 -6.413 547 2HH2 ARG 74 1HH1 ARG 74 -12.041 5.525 -7.105 548 H LYS 75 H LYS 75 -8.732 -3.064 -9.642 549 HA LYS 75 HA LYS 75 -6.183 -2.401 -9.184 550 1HB LYS 75 1HB LYS 75 -7.541 -4.344 -10.665 551 2HB LYS 75 2HB LYS 75 -6.436 -3.623 -11.818 552 1HG LYS 75 1HG LYS 75 -5.235 -4.123 -9.141 553 2HG LYS 75 2HG LYS 75 -5.751 -5.576 -9.974 554 1HD LYS 75 1HD LYS 75 -4.105 -3.465 -11.415 555 2HD LYS 75 2HD LYS 75 -3.328 -4.672 -10.411 556 1HE LYS 75 1HE LYS 75 -4.603 -6.454 -11.769 557 2HE LYS 75 2HE LYS 75 -5.072 -5.170 -12.864 558 1HZ LYS 75 3HZ LYS 75 -2.462 -4.768 -12.683 559 2HZ LYS 75 1HZ LYS 75 -2.505 -6.390 -12.498 560 3HZ LYS 75 2HZ LYS 75 -3.153 -5.703 -13.830 No H/Q in entry = 560
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