NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11822 | 1s4h | 6107 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 1HT GLU 1 -7.887 8.312 -1.998 2 2H GLU 1 2HT GLU 1 -7.317 7.397 -0.662 3 3H GLU 1 3HT GLU 1 -8.811 6.996 -1.405 4 HA GLU 1 HA GLU 1 -7.531 6.609 -3.479 5 1HB GLU 1 2HB GLU 1 -5.278 6.655 -1.459 6 2HB GLU 1 1HB GLU 1 -5.132 6.127 -3.129 7 1HG GLU 1 2HG GLU 1 -5.869 8.903 -2.227 8 2HG GLU 1 1HG GLU 1 -4.282 8.392 -2.800 9 H GLU 2 H GLU 2 -7.519 4.468 -4.008 10 HA GLU 2 HA GLU 2 -8.287 2.621 -1.913 11 1HB GLU 2 2HB GLU 2 -8.035 2.209 -4.899 12 2HB GLU 2 1HB GLU 2 -8.681 1.031 -3.766 13 1HG GLU 2 2HG GLU 2 -10.524 2.067 -4.812 14 2HG GLU 2 1HG GLU 2 -10.445 2.702 -3.171 15 H ALA 3 H ALA 3 -6.860 1.454 -0.831 16 HA ALA 3 HA ALA 3 -4.721 0.075 -2.154 17 1HB ALA 3 1HB ALA 3 -4.184 2.566 -0.660 18 2HB ALA 3 2HB ALA 3 -3.294 1.823 -1.989 19 3HB ALA 3 3HB ALA 3 -3.101 1.211 -0.346 20 H ASP 4 H ASP 4 -7.040 -0.524 -0.492 21 HA ASP 4 HA ASP 4 -5.842 -1.503 1.990 22 1HB ASP 4 2HB ASP 4 -8.006 -0.341 2.143 23 2HB ASP 4 1HB ASP 4 -8.725 -1.532 1.063 24 H ASP 5 H ASP 5 -4.842 -2.744 -0.249 25 HA ASP 5 HA ASP 5 -6.171 -5.373 -0.243 26 1HB ASP 5 2HB ASP 5 -6.058 -4.339 -2.465 27 2HB ASP 5 1HB ASP 5 -4.312 -4.176 -2.311 28 H ASP 6 H ASP 6 -4.776 -5.083 1.948 29 HA ASP 6 HA ASP 6 -3.001 -5.763 3.208 30 1HB ASP 6 2HB ASP 6 -3.905 -7.920 2.521 31 2HB ASP 6 1HB ASP 6 -2.950 -7.872 1.044 32 H MET 7 H MET 7 -1.657 -3.956 2.832 33 HA MET 7 HA MET 7 0.916 -4.554 1.890 34 1HB MET 7 2HB MET 7 1.033 -3.060 -0.068 35 2HB MET 7 1HB MET 7 -0.060 -4.412 -0.330 36 1HG MET 7 2HG MET 7 -1.971 -2.970 0.119 37 2HG MET 7 1HG MET 7 -0.882 -1.609 0.401 38 1HE MET 7 1HE MET 7 -2.628 -0.614 -1.014 39 2HE MET 7 2HE MET 7 -3.306 -1.545 -2.350 40 3HE MET 7 3HE MET 7 -2.200 -0.211 -2.676 41 H GLY 8 H GLY 8 2.416 -2.940 2.380 42 1HA GLY 8 2HA GLY 8 2.206 -0.305 2.825 43 2HA GLY 8 1HA GLY 8 1.436 -0.958 4.263 44 H PHE 9 H PHE 9 4.430 -0.519 2.551 45 HA PHE 9 HA PHE 9 5.918 -0.796 4.981 46 1HB PHE 9 2HB PHE 9 7.409 -2.588 4.128 47 2HB PHE 9 1HB PHE 9 5.757 -3.131 4.401 48 HD1 PHE 9 1HD PHE 9 7.789 -1.687 1.598 49 HD2 PHE 9 2HD PHE 9 4.850 -4.497 2.841 50 HE1 PHE 9 1HE PHE 9 7.661 -2.557 -0.695 51 HE2 PHE 9 2HE PHE 9 4.719 -5.379 0.548 52 HZ PHE 9 HZ PHE 9 6.126 -4.408 -1.224 53 H GLY 10 H GLY 10 8.465 -1.127 3.873 54 1HA GLY 10 2HA GLY 10 9.050 1.483 3.052 55 2HA GLY 10 1HA GLY 10 10.147 0.116 2.927 56 H LEU 11 H LEU 11 7.634 1.936 1.310 57 HA LEU 11 HA LEU 11 8.810 1.701 -1.229 58 1HB LEU 11 2HB LEU 11 7.939 -0.614 -0.999 59 2HB LEU 11 1HB LEU 11 6.320 0.043 -0.828 60 1HD1 LEU 11 1HD2 LEU 11 6.427 -1.245 -4.298 61 2HD1 LEU 11 2HD2 LEU 11 5.835 -1.580 -2.671 62 3HD1 LEU 11 3HD2 LEU 11 7.509 -1.941 -3.091 63 1HD2 LEU 11 1HD1 LEU 11 5.565 0.795 -4.151 64 2HD2 LEU 11 2HD1 LEU 11 6.601 2.087 -3.545 65 3HD2 LEU 11 3HD1 LEU 11 5.379 1.371 -2.494 66 H PHE 12 H PHE 12 5.550 1.760 0.121 67 HA PHE 12 HA PHE 12 5.185 4.451 -1.007 68 1HB PHE 12 2HB PHE 12 2.852 3.896 -1.539 69 2HB PHE 12 1HB PHE 12 3.970 2.841 -2.403 70 HD1 PHE 12 1HD PHE 12 2.050 2.923 0.805 71 HD2 PHE 12 2HD PHE 12 3.498 0.600 -2.454 72 HE1 PHE 12 1HE PHE 12 0.887 0.952 1.699 73 HE2 PHE 12 2HE PHE 12 2.332 -1.375 -1.567 74 HZ PHE 12 HZ PHE 12 1.025 -1.199 0.513 75 H ASP 13 H ASP 13 5.526 2.818 1.747 76 HA ASP 13 HA ASP 13 3.347 3.458 3.362 77 1HB ASP 13 2HB ASP 13 4.898 3.184 5.254 78 2HB ASP 13 1HB ASP 13 5.113 1.905 4.060 Start of MODEL 2 1 1H GLU 1 1HT GLU 1 -4.702 9.184 -2.942 2 2H GLU 1 2HT GLU 1 -3.874 8.792 -1.492 3 3H GLU 1 3HT GLU 1 -5.574 8.583 -1.595 4 HA GLU 1 HA GLU 1 -5.101 7.013 -3.467 5 1HB GLU 1 2HB GLU 1 -2.383 7.174 -2.143 6 2HB GLU 1 1HB GLU 1 -2.852 5.991 -3.357 7 1HG GLU 1 2HG GLU 1 -2.719 8.970 -3.770 8 2HG GLU 1 1HG GLU 1 -1.511 7.801 -4.298 9 H GLU 2 H GLU 2 -5.306 4.800 -2.932 10 HA GLU 2 HA GLU 2 -5.262 4.164 -0.067 11 1HB GLU 2 2HB GLU 2 -7.537 3.527 -1.956 12 2HB GLU 2 1HB GLU 2 -7.404 2.950 -0.302 13 1HG GLU 2 2HG GLU 2 -8.909 4.766 -0.282 14 2HG GLU 2 1HG GLU 2 -7.407 5.341 0.438 15 H ALA 3 H ALA 3 -5.933 1.633 0.044 16 HA ALA 3 HA ALA 3 -5.075 -0.057 -2.032 17 1HB ALA 3 1HB ALA 3 -2.996 -0.159 0.070 18 2HB ALA 3 2HB ALA 3 -2.916 1.188 -1.065 19 3HB ALA 3 3HB ALA 3 -2.878 -0.471 -1.662 20 H ASP 4 H ASP 4 -7.109 -0.864 -1.130 21 HA ASP 4 HA ASP 4 -7.427 -1.849 1.456 22 1HB ASP 4 2HB ASP 4 -9.291 -1.599 -0.117 23 2HB ASP 4 1HB ASP 4 -8.637 -2.895 -1.113 24 H ASP 5 H ASP 5 -5.754 -3.187 -1.287 25 HA ASP 5 HA ASP 5 -5.610 -5.874 -0.524 26 1HB ASP 5 2HB ASP 5 -4.930 -5.043 -2.744 27 2HB ASP 5 1HB ASP 5 -3.551 -4.227 -2.015 28 H ASP 6 H ASP 6 -4.264 -7.019 0.811 29 HA ASP 6 HA ASP 6 -3.202 -5.814 3.068 30 1HB ASP 6 2HB ASP 6 -2.506 -8.486 1.837 31 2HB ASP 6 1HB ASP 6 -2.147 -7.999 3.485 32 H MET 7 H MET 7 -1.846 -4.101 2.478 33 HA MET 7 HA MET 7 0.893 -4.697 2.305 34 1HB MET 7 2HB MET 7 1.384 -3.772 0.062 35 2HB MET 7 1HB MET 7 0.453 -5.263 -0.007 36 1HG MET 7 2HG MET 7 -1.581 -3.995 -0.406 37 2HG MET 7 1HG MET 7 -0.672 -2.485 -0.302 38 1HE MET 7 1HE MET 7 -2.318 -2.449 -2.243 39 2HE MET 7 2HE MET 7 -2.171 -3.378 -3.736 40 3HE MET 7 3HE MET 7 -1.292 -1.860 -3.551 41 H GLY 8 H GLY 8 2.190 -2.884 2.633 42 1HA GLY 8 2HA GLY 8 1.750 -0.249 2.235 43 2HA GLY 8 1HA GLY 8 0.777 -0.579 3.659 44 H PHE 9 H PHE 9 3.997 -0.280 2.382 45 HA PHE 9 HA PHE 9 5.037 0.269 4.989 46 1HB PHE 9 2HB PHE 9 6.763 -1.514 4.930 47 2HB PHE 9 1HB PHE 9 5.125 -2.138 5.088 48 HD1 PHE 9 1HD PHE 9 7.520 -1.293 2.326 49 HD2 PHE 9 2HD PHE 9 4.614 -3.981 3.879 50 HE1 PHE 9 1HE PHE 9 7.858 -2.767 0.392 51 HE2 PHE 9 2HE PHE 9 4.950 -5.466 1.948 52 HZ PHE 9 HZ PHE 9 6.575 -4.859 0.199 53 H GLY 10 H GLY 10 7.757 -0.073 4.436 54 1HA GLY 10 2HA GLY 10 8.327 2.263 3.006 55 2HA GLY 10 1HA GLY 10 9.506 1.037 3.447 56 H LEU 11 H LEU 11 7.228 2.083 1.009 57 HA LEU 11 HA LEU 11 8.850 1.289 -1.143 58 1HB LEU 11 2HB LEU 11 8.070 -0.952 -0.405 59 2HB LEU 11 1HB LEU 11 6.416 -0.437 -0.685 60 1HD1 LEU 11 1HD2 LEU 11 7.656 -2.679 -3.486 61 2HD1 LEU 11 2HD2 LEU 11 6.213 -2.488 -2.491 62 3HD1 LEU 11 3HD2 LEU 11 7.775 -2.797 -1.730 63 1HD2 LEU 11 1HD1 LEU 11 6.220 -0.692 -4.153 64 2HD2 LEU 11 2HD1 LEU 11 7.077 0.808 -3.799 65 3HD2 LEU 11 3HD1 LEU 11 5.727 0.303 -2.782 66 H PHE 12 H PHE 12 5.415 1.427 -0.352 67 HA PHE 12 HA PHE 12 5.113 3.659 -2.238 68 1HB PHE 12 2HB PHE 12 2.938 2.753 -2.955 69 2HB PHE 12 1HB PHE 12 4.255 1.640 -3.324 70 HD1 PHE 12 1HD PHE 12 1.809 2.317 -0.577 71 HD2 PHE 12 2HD PHE 12 3.930 -0.580 -2.863 72 HE1 PHE 12 1HE PHE 12 0.635 0.520 0.617 73 HE2 PHE 12 2HE PHE 12 2.754 -2.381 -1.675 74 HZ PHE 12 HZ PHE 12 1.106 -1.832 0.068 75 H ASP 13 H ASP 13 5.061 2.876 0.872 76 HA ASP 13 HA ASP 13 2.588 3.670 1.889 77 1HB ASP 13 2HB ASP 13 3.792 4.078 3.997 78 2HB ASP 13 1HB ASP 13 4.296 2.561 3.256 Start of MODEL 3 1 1H GLU 1 1HT GLU 1 -3.865 9.132 -2.747 2 2H GLU 1 2HT GLU 1 -2.834 8.155 -1.784 3 3H GLU 1 3HT GLU 1 -4.373 8.627 -1.190 4 HA GLU 1 HA GLU 1 -5.316 7.438 -3.161 5 1HB GLU 1 2HB GLU 1 -2.522 6.278 -3.069 6 2HB GLU 1 1HB GLU 1 -3.850 5.651 -4.035 7 1HG GLU 1 2HG GLU 1 -2.605 8.376 -4.327 8 2HG GLU 1 1HG GLU 1 -2.291 6.983 -5.360 9 H GLU 2 H GLU 2 -5.287 4.795 -2.939 10 HA GLU 2 HA GLU 2 -5.217 4.168 -0.073 11 1HB GLU 2 2HB GLU 2 -7.512 3.539 -1.939 12 2HB GLU 2 1HB GLU 2 -7.370 2.969 -0.284 13 1HG GLU 2 2HG GLU 2 -8.862 4.795 -0.259 14 2HG GLU 2 1HG GLU 2 -7.350 5.362 0.446 15 H ALA 3 H ALA 3 -5.911 1.642 0.050 16 HA ALA 3 HA ALA 3 -5.077 -0.060 -2.028 17 1HB ALA 3 1HB ALA 3 -2.881 -0.490 -1.668 18 2HB ALA 3 2HB ALA 3 -2.988 -0.174 0.064 19 3HB ALA 3 3HB ALA 3 -2.903 1.171 -1.075 20 H ASP 4 H ASP 4 -7.112 -0.850 -1.113 21 HA ASP 4 HA ASP 4 -7.425 -1.825 1.478 22 1HB ASP 4 2HB ASP 4 -9.295 -1.566 -0.087 23 2HB ASP 4 1HB ASP 4 -8.654 -2.870 -1.084 24 H ASP 5 H ASP 5 -5.775 -3.184 -1.271 25 HA ASP 5 HA ASP 5 -5.646 -5.870 -0.501 26 1HB ASP 5 2HB ASP 5 -4.972 -5.049 -2.727 27 2HB ASP 5 1HB ASP 5 -3.583 -4.242 -2.007 28 H ASP 6 H ASP 6 -4.299 -7.022 0.827 29 HA ASP 6 HA ASP 6 -3.219 -5.818 3.078 30 1HB ASP 6 2HB ASP 6 -2.545 -8.497 1.847 31 2HB ASP 6 1HB ASP 6 -2.174 -8.009 3.492 32 H MET 7 H MET 7 -1.857 -4.114 2.476 33 HA MET 7 HA MET 7 0.879 -4.728 2.289 34 1HB MET 7 2HB MET 7 1.363 -3.809 0.043 35 2HB MET 7 1HB MET 7 0.417 -5.289 -0.022 36 1HG MET 7 2HG MET 7 -1.607 -3.997 -0.405 37 2HG MET 7 1HG MET 7 -0.680 -2.498 -0.307 38 1HE MET 7 1HE MET 7 -2.407 -2.564 -2.259 39 2HE MET 7 2HE MET 7 -2.128 -3.316 -3.831 40 3HE MET 7 3HE MET 7 -1.330 -1.794 -3.427 41 H GLY 8 H GLY 8 2.195 -2.916 2.585 42 1HA GLY 8 2HA GLY 8 1.779 -0.283 2.199 43 2HA GLY 8 1HA GLY 8 0.793 -0.601 3.618 44 H PHE 9 H PHE 9 4.013 -0.285 2.370 45 HA PHE 9 HA PHE 9 5.038 0.219 4.993 46 1HB PHE 9 2HB PHE 9 6.778 -1.550 4.903 47 2HB PHE 9 1HB PHE 9 5.144 -2.188 5.043 48 HD1 PHE 9 1HD PHE 9 7.535 -1.266 2.301 49 HD2 PHE 9 2HD PHE 9 4.659 -4.015 3.802 50 HE1 PHE 9 1HE PHE 9 7.891 -2.699 0.340 51 HE2 PHE 9 2HE PHE 9 5.011 -5.459 1.842 52 HZ PHE 9 HZ PHE 9 6.630 -4.801 0.107 53 H GLY 10 H GLY 10 7.764 -0.088 4.446 54 1HA GLY 10 2HA GLY 10 8.320 2.279 3.065 55 2HA GLY 10 1HA GLY 10 9.507 1.054 3.486 56 H LEU 11 H LEU 11 7.238 2.138 1.058 57 HA LEU 11 HA LEU 11 8.871 1.398 -1.101 58 1HB LEU 11 2HB LEU 11 8.112 -0.865 -0.409 59 2HB LEU 11 1HB LEU 11 6.454 -0.361 -0.685 60 1HD1 LEU 11 1HD2 LEU 11 7.464 -2.490 -3.609 61 2HD1 LEU 11 2HD2 LEU 11 6.337 -2.410 -2.254 62 3HD1 LEU 11 3HD2 LEU 11 8.050 -2.707 -1.960 63 1HD2 LEU 11 1HD1 LEU 11 6.348 -0.522 -4.211 64 2HD2 LEU 11 2HD1 LEU 11 7.085 0.996 -3.698 65 3HD2 LEU 11 3HD1 LEU 11 5.724 0.329 -2.797 66 H PHE 12 H PHE 12 5.394 1.318 -0.507 67 HA PHE 12 HA PHE 12 5.088 3.615 -2.322 68 1HB PHE 12 2HB PHE 12 2.920 2.687 -3.023 69 2HB PHE 12 1HB PHE 12 4.240 1.576 -3.381 70 HD1 PHE 12 1HD PHE 12 1.798 2.278 -0.635 71 HD2 PHE 12 2HD PHE 12 3.924 -0.639 -2.892 72 HE1 PHE 12 1HE PHE 12 0.634 0.491 0.583 73 HE2 PHE 12 2HE PHE 12 2.759 -2.430 -1.679 74 HZ PHE 12 HZ PHE 12 1.113 -1.866 0.061 75 H ASP 13 H ASP 13 4.918 2.684 0.809 76 HA ASP 13 HA ASP 13 2.481 3.563 1.793 77 1HB ASP 13 2HB ASP 13 3.653 3.900 3.931 78 2HB ASP 13 1HB ASP 13 4.137 2.387 3.169 Start of MODEL 4 1 1H GLU 1 1HT GLU 1 -7.715 9.013 -3.076 2 2H GLU 1 2HT GLU 1 -6.763 8.431 -1.772 3 3H GLU 1 3HT GLU 1 -8.471 8.268 -1.730 4 HA GLU 1 HA GLU 1 -8.227 6.931 -3.815 5 1HB GLU 1 2HB GLU 1 -5.393 6.877 -2.756 6 2HB GLU 1 1HB GLU 1 -6.011 5.862 -4.050 7 1HG GLU 1 2HG GLU 1 -5.828 8.866 -4.115 8 2HG GLU 1 1HG GLU 1 -4.712 7.748 -4.896 9 H GLU 2 H GLU 2 -7.355 4.476 -3.432 10 HA GLU 2 HA GLU 2 -7.938 3.750 -0.649 11 1HB GLU 2 2HB GLU 2 -9.198 2.469 -3.081 12 2HB GLU 2 1HB GLU 2 -9.368 1.891 -1.431 13 1HG GLU 2 2HG GLU 2 -11.338 3.078 -1.953 14 2HG GLU 2 1HG GLU 2 -10.404 4.096 -0.859 15 H ALA 3 H ALA 3 -7.694 1.152 -0.577 16 HA ALA 3 HA ALA 3 -5.751 -0.045 -2.223 17 1HB ALA 3 1HB ALA 3 -3.985 1.166 -1.465 18 2HB ALA 3 2HB ALA 3 -4.013 -0.066 -0.203 19 3HB ALA 3 3HB ALA 3 -4.745 1.511 0.089 20 H ASP 4 H ASP 4 -7.680 -1.446 -1.815 21 HA ASP 4 HA ASP 4 -8.200 -2.640 0.664 22 1HB ASP 4 2HB ASP 4 -9.750 -2.785 -1.231 23 2HB ASP 4 1HB ASP 4 -8.595 -3.781 -2.112 24 H ASP 5 H ASP 5 -5.794 -3.317 -1.774 25 HA ASP 5 HA ASP 5 -5.051 -5.895 -0.857 26 1HB ASP 5 2HB ASP 5 -4.472 -5.091 -3.102 27 2HB ASP 5 1HB ASP 5 -3.438 -3.849 -2.401 28 H ASP 6 H ASP 6 -3.755 -6.522 0.766 29 HA ASP 6 HA ASP 6 -3.048 -4.794 2.832 30 1HB ASP 6 2HB ASP 6 -1.958 -7.534 2.163 31 2HB ASP 6 1HB ASP 6 -1.776 -6.716 3.705 32 H MET 7 H MET 7 -1.400 -3.438 3.088 33 HA MET 7 HA MET 7 1.250 -3.940 2.310 34 1HB MET 7 2HB MET 7 1.508 -2.294 0.501 35 2HB MET 7 1HB MET 7 0.433 -3.606 0.039 36 1HG MET 7 2HG MET 7 -1.500 -2.182 0.482 37 2HG MET 7 1HG MET 7 -0.420 -0.865 0.946 38 1HE MET 7 1HE MET 7 -2.685 -0.577 -1.828 39 2HE MET 7 2HE MET 7 -1.560 0.732 -2.190 40 3HE MET 7 3HE MET 7 -1.975 0.363 -0.516 41 H GLY 8 H GLY 8 2.656 -1.987 2.591 42 1HA GLY 8 2HA GLY 8 2.268 0.470 3.395 43 2HA GLY 8 1HA GLY 8 1.555 -0.361 4.769 44 H PHE 9 H PHE 9 4.551 -0.289 2.842 45 HA PHE 9 HA PHE 9 6.109 -0.099 5.243 46 1HB PHE 9 2HB PHE 9 7.482 -2.128 4.700 47 2HB PHE 9 1HB PHE 9 5.838 -2.469 5.216 48 HD1 PHE 9 1HD PHE 9 7.796 -2.000 2.057 49 HD2 PHE 9 2HD PHE 9 4.601 -3.979 4.050 50 HE1 PHE 9 1HE PHE 9 7.414 -3.378 0.062 51 HE2 PHE 9 2HE PHE 9 4.217 -5.368 2.057 52 HZ PHE 9 HZ PHE 9 5.625 -5.068 0.060 53 H GLY 10 H GLY 10 8.512 -1.115 3.653 54 1HA GLY 10 2HA GLY 10 9.366 1.368 2.728 55 2HA GLY 10 1HA GLY 10 10.147 -0.160 2.372 56 H LEU 11 H LEU 11 7.054 -0.451 1.198 57 HA LEU 11 HA LEU 11 7.903 -0.277 -1.494 58 1HB LEU 11 2HB LEU 11 6.116 -1.794 -0.680 59 2HB LEU 11 1HB LEU 11 5.089 -0.398 -0.405 60 1HD1 LEU 11 1HD2 LEU 11 4.202 -2.362 -3.547 61 2HD1 LEU 11 2HD2 LEU 11 3.298 -1.522 -2.288 62 3HD1 LEU 11 3HD2 LEU 11 4.467 -2.768 -1.851 63 1HD2 LEU 11 1HD1 LEU 11 3.958 0.272 -3.585 64 2HD2 LEU 11 2HD1 LEU 11 5.607 0.895 -3.573 65 3HD2 LEU 11 3HD1 LEU 11 4.590 1.065 -2.142 66 H PHE 12 H PHE 12 6.060 1.826 0.612 67 HA PHE 12 HA PHE 12 6.571 4.053 -1.191 68 1HB PHE 12 2HB PHE 12 4.200 4.817 -1.055 69 2HB PHE 12 1HB PHE 12 4.410 3.322 -1.964 70 HD1 PHE 12 1HD PHE 12 3.782 4.338 1.592 71 HD2 PHE 12 2HD PHE 12 2.829 1.718 -1.624 72 HE1 PHE 12 1HE PHE 12 2.094 3.237 2.995 73 HE2 PHE 12 2HE PHE 12 1.135 0.614 -0.225 74 HZ PHE 12 HZ PHE 12 0.765 1.373 2.088 75 H ASP 13 H ASP 13 7.268 3.060 1.607 76 HA ASP 13 HA ASP 13 6.138 4.588 3.602 77 1HB ASP 13 2HB ASP 13 8.264 4.340 4.810 78 2HB ASP 13 1HB ASP 13 7.796 2.832 4.029 Start of MODEL 5 1 1H GLU 1 1HT GLU 1 -7.761 8.822 -2.861 2 2H GLU 1 2HT GLU 1 -8.020 8.682 -1.171 3 3H GLU 1 3HT GLU 1 -8.766 7.576 -2.249 4 HA GLU 1 HA GLU 1 -6.496 6.919 -2.951 5 1HB GLU 1 2HB GLU 1 -5.850 8.429 -0.409 6 2HB GLU 1 1HB GLU 1 -4.723 7.418 -1.303 7 1HG GLU 1 2HG GLU 1 -6.035 9.920 -2.342 8 2HG GLU 1 1HG GLU 1 -4.382 9.794 -1.745 9 H GLU 2 H GLU 2 -6.717 4.817 -2.593 10 HA GLU 2 HA GLU 2 -7.217 3.892 0.146 11 1HB GLU 2 2HB GLU 2 -8.623 2.859 -2.325 12 2HB GLU 2 1HB GLU 2 -8.752 2.156 -0.720 13 1HG GLU 2 2HG GLU 2 -10.691 3.456 -1.063 14 2HG GLU 2 1HG GLU 2 -9.674 4.345 0.068 15 H ALA 3 H ALA 3 -7.095 1.278 -0.024 16 HA ALA 3 HA ALA 3 -5.251 0.160 -1.831 17 1HB ALA 3 1HB ALA 3 -3.211 0.327 -0.851 18 2HB ALA 3 2HB ALA 3 -3.877 0.405 0.779 19 3HB ALA 3 3HB ALA 3 -3.903 1.834 -0.253 20 H ASP 4 H ASP 4 -7.222 -1.197 -1.494 21 HA ASP 4 HA ASP 4 -7.728 -2.591 0.882 22 1HB ASP 4 2HB ASP 4 -9.329 -2.504 -0.975 23 2HB ASP 4 1HB ASP 4 -8.238 -3.459 -1.973 24 H ASP 5 H ASP 5 -5.411 -3.134 -1.672 25 HA ASP 5 HA ASP 5 -4.754 -5.806 -1.145 26 1HB ASP 5 2HB ASP 5 -4.008 -4.626 -3.163 27 2HB ASP 5 1HB ASP 5 -2.981 -3.583 -2.185 28 H ASP 6 H ASP 6 -3.584 -6.780 0.400 29 HA ASP 6 HA ASP 6 -2.952 -5.499 2.792 30 1HB ASP 6 2HB ASP 6 -1.910 -8.111 1.680 31 2HB ASP 6 1HB ASP 6 -1.800 -7.603 3.356 32 H MET 7 H MET 7 -1.676 -3.674 2.292 33 HA MET 7 HA MET 7 1.127 -4.130 2.424 34 1HB MET 7 2HB MET 7 1.761 -3.034 0.316 35 2HB MET 7 1HB MET 7 0.874 -4.525 0.033 36 1HG MET 7 2HG MET 7 -1.154 -3.240 -0.404 37 2HG MET 7 1HG MET 7 -0.263 -1.742 -0.119 38 1HE MET 7 1HE MET 7 -1.737 -1.515 -2.159 39 2HE MET 7 2HE MET 7 -1.536 -2.395 -3.675 40 3HE MET 7 3HE MET 7 -0.643 -0.900 -3.397 41 H GLY 8 H GLY 8 2.358 -2.093 2.545 42 1HA GLY 8 2HA GLY 8 1.669 0.463 2.444 43 2HA GLY 8 1HA GLY 8 0.727 -0.046 3.837 44 H PHE 9 H PHE 9 4.053 -0.126 2.570 45 HA PHE 9 HA PHE 9 5.046 0.858 5.075 46 1HB PHE 9 2HB PHE 9 6.632 -1.064 5.381 47 2HB PHE 9 1HB PHE 9 4.940 -1.455 5.652 48 HD1 PHE 9 1HD PHE 9 7.496 -1.581 2.914 49 HD2 PHE 9 2HD PHE 9 4.081 -3.351 4.734 50 HE1 PHE 9 1HE PHE 9 7.638 -3.459 1.341 51 HE2 PHE 9 2HE PHE 9 4.223 -5.238 3.164 52 HZ PHE 9 HZ PHE 9 6.004 -5.295 1.466 53 H GLY 10 H GLY 10 7.794 -0.237 4.310 54 1HA GLY 10 2HA GLY 10 8.666 2.010 2.916 55 2HA GLY 10 1HA GLY 10 9.601 0.546 3.148 56 H LEU 11 H LEU 11 6.856 -0.402 1.537 57 HA LEU 11 HA LEU 11 8.249 -0.825 -0.887 58 1HB LEU 11 2HB LEU 11 6.430 -2.285 -0.040 59 2HB LEU 11 1HB LEU 11 5.281 -0.998 -0.359 60 1HD1 LEU 11 1HD2 LEU 11 4.471 -3.166 -3.031 61 2HD1 LEU 11 2HD2 LEU 11 4.329 -3.035 -1.279 62 3HD1 LEU 11 3HD2 LEU 11 5.562 -4.079 -1.988 63 1HD2 LEU 11 1HD1 LEU 11 4.817 -1.305 -3.755 64 2HD2 LEU 11 2HD1 LEU 11 6.382 -0.508 -3.603 65 3HD2 LEU 11 3HD1 LEU 11 5.073 -0.100 -2.495 66 H PHE 12 H PHE 12 5.865 1.513 0.169 67 HA PHE 12 HA PHE 12 6.607 3.247 -2.046 68 1HB PHE 12 2HB PHE 12 4.220 3.732 -2.577 69 2HB PHE 12 1HB PHE 12 4.715 2.089 -2.982 70 HD1 PHE 12 1HD PHE 12 3.275 3.900 -0.030 71 HD2 PHE 12 2HD PHE 12 3.204 0.448 -2.519 72 HE1 PHE 12 1HE PHE 12 1.397 3.002 1.276 73 HE2 PHE 12 2HE PHE 12 1.324 -0.454 -1.218 74 HZ PHE 12 HZ PHE 12 0.417 0.823 0.683 75 H ASP 13 H ASP 13 6.750 3.094 0.997 76 HA ASP 13 HA ASP 13 5.123 4.936 2.243 77 1HB ASP 13 2HB ASP 13 6.951 5.262 3.852 78 2HB ASP 13 1HB ASP 13 6.760 3.559 3.443 Start of MODEL 6 1 1H GLU 1 1HT GLU 1 -7.163 9.295 -1.854 2 2H GLU 1 2HT GLU 1 -6.498 8.768 -0.363 3 3H GLU 1 3HT GLU 1 -8.111 8.355 -0.780 4 HA GLU 1 HA GLU 1 -7.130 7.218 -2.765 5 1HB GLU 1 2HB GLU 1 -4.693 7.501 -0.993 6 2HB GLU 1 1HB GLU 1 -4.788 6.501 -2.435 7 1HG GLU 1 2HG GLU 1 -5.072 9.497 -2.358 8 2HG GLU 1 1HG GLU 1 -3.629 8.610 -2.849 9 H GLU 2 H GLU 2 -6.640 4.877 -2.531 10 HA GLU 2 HA GLU 2 -7.261 3.842 0.144 11 1HB GLU 2 2HB GLU 2 -8.570 2.932 -2.428 12 2HB GLU 2 1HB GLU 2 -8.775 2.164 -0.861 13 1HG GLU 2 2HG GLU 2 -10.683 3.500 -1.230 14 2HG GLU 2 1HG GLU 2 -9.708 4.327 -0.019 15 H ALA 3 H ALA 3 -7.096 1.274 -0.032 16 HA ALA 3 HA ALA 3 -5.252 0.154 -1.838 17 1HB ALA 3 1HB ALA 3 -3.212 0.322 -0.859 18 2HB ALA 3 2HB ALA 3 -3.877 0.402 0.773 19 3HB ALA 3 3HB ALA 3 -3.904 1.831 -0.261 20 H ASP 4 H ASP 4 -7.223 -1.203 -1.499 21 HA ASP 4 HA ASP 4 -7.729 -2.593 0.879 22 1HB ASP 4 2HB ASP 4 -9.330 -2.509 -0.978 23 2HB ASP 4 1HB ASP 4 -8.238 -3.466 -1.975 24 H ASP 5 H ASP 5 -5.411 -3.140 -1.673 25 HA ASP 5 HA ASP 5 -4.754 -5.810 -1.143 26 1HB ASP 5 2HB ASP 5 -4.007 -4.634 -3.162 27 2HB ASP 5 1HB ASP 5 -2.980 -3.590 -2.186 28 H ASP 6 H ASP 6 -3.584 -6.783 0.404 29 HA ASP 6 HA ASP 6 -2.954 -5.498 2.795 30 1HB ASP 6 2HB ASP 6 -1.910 -8.111 1.687 31 2HB ASP 6 1HB ASP 6 -1.800 -7.601 3.362 32 H MET 7 H MET 7 -1.678 -3.673 2.292 33 HA MET 7 HA MET 7 1.126 -4.129 2.426 34 1HB MET 7 2HB MET 7 1.760 -3.035 0.317 35 2HB MET 7 1HB MET 7 0.873 -4.527 0.035 36 1HG MET 7 2HG MET 7 -1.156 -3.241 -0.403 37 2HG MET 7 1HG MET 7 -0.264 -1.743 -0.120 38 1HE MET 7 1HE MET 7 -1.659 -2.454 -3.519 39 2HE MET 7 2HE MET 7 -0.634 -1.020 -3.567 40 3HE MET 7 3HE MET 7 -1.626 -1.347 -2.147 41 H GLY 8 H GLY 8 2.357 -2.090 2.544 42 1HA GLY 8 2HA GLY 8 1.667 0.464 2.440 43 2HA GLY 8 1HA GLY 8 0.724 -0.042 3.834 44 H PHE 9 H PHE 9 4.051 -0.124 2.569 45 HA PHE 9 HA PHE 9 5.042 0.862 5.073 46 1HB PHE 9 2HB PHE 9 6.628 -1.059 5.382 47 2HB PHE 9 1HB PHE 9 4.936 -1.449 5.651 48 HD1 PHE 9 1HD PHE 9 7.493 -1.578 2.916 49 HD2 PHE 9 2HD PHE 9 4.078 -3.346 4.736 50 HE1 PHE 9 1HE PHE 9 7.636 -3.458 1.345 51 HE2 PHE 9 2HE PHE 9 4.221 -5.236 3.169 52 HZ PHE 9 HZ PHE 9 6.002 -5.294 1.471 53 H GLY 10 H GLY 10 7.790 -0.233 4.311 54 1HA GLY 10 2HA GLY 10 8.663 2.013 2.915 55 2HA GLY 10 1HA GLY 10 9.598 0.550 3.149 56 H LEU 11 H LEU 11 6.855 -0.401 1.538 57 HA LEU 11 HA LEU 11 8.248 -0.826 -0.886 58 1HB LEU 11 2HB LEU 11 6.429 -2.286 -0.038 59 2HB LEU 11 1HB LEU 11 5.280 -0.998 -0.359 60 1HD1 LEU 11 1HD2 LEU 11 4.461 -3.161 -3.023 61 2HD1 LEU 11 2HD2 LEU 11 4.338 -3.046 -1.268 62 3HD1 LEU 11 3HD2 LEU 11 5.563 -4.083 -2.000 63 1HD2 LEU 11 1HD1 LEU 11 4.818 -1.310 -3.754 64 2HD2 LEU 11 2HD1 LEU 11 6.384 -0.512 -3.603 65 3HD2 LEU 11 3HD1 LEU 11 5.074 -0.103 -2.495 66 H PHE 12 H PHE 12 5.865 1.512 0.167 67 HA PHE 12 HA PHE 12 6.607 3.244 -2.049 68 1HB PHE 12 2HB PHE 12 4.219 3.728 -2.582 69 2HB PHE 12 1HB PHE 12 4.715 2.086 -2.985 70 HD1 PHE 12 1HD PHE 12 3.273 3.900 -0.035 71 HD2 PHE 12 2HD PHE 12 3.204 0.446 -2.522 72 HE1 PHE 12 1HE PHE 12 1.397 3.003 1.270 73 HE2 PHE 12 2HE PHE 12 1.324 -0.456 -1.220 74 HZ PHE 12 HZ PHE 12 0.417 0.823 0.678 75 H ASP 13 H ASP 13 6.748 3.095 0.992 76 HA ASP 13 HA ASP 13 5.121 4.937 2.237 77 1HB ASP 13 2HB ASP 13 6.947 5.266 3.846 78 2HB ASP 13 1HB ASP 13 6.757 3.563 3.439 Start of MODEL 7 1 1H GLU 1 1HT GLU 1 -7.650 9.033 -2.510 2 2H GLU 1 2HT GLU 1 -7.404 8.851 -0.822 3 3H GLU 1 3HT GLU 1 -8.648 7.970 -1.609 4 HA GLU 1 HA GLU 1 -6.835 6.973 -2.994 5 1HB GLU 1 2HB GLU 1 -5.249 8.081 -0.667 6 2HB GLU 1 1HB GLU 1 -4.630 6.966 -1.877 7 1HG GLU 1 2HG GLU 1 -5.616 9.760 -2.411 8 2HG GLU 1 1HG GLU 1 -3.928 9.265 -2.297 9 H GLU 2 H GLU 2 -6.723 4.818 -2.597 10 HA GLU 2 HA GLU 2 -7.224 3.889 0.143 11 1HB GLU 2 2HB GLU 2 -8.623 2.859 -2.334 12 2HB GLU 2 1HB GLU 2 -8.756 2.155 -0.729 13 1HG GLU 2 2HG GLU 2 -10.694 3.455 -1.077 14 2HG GLU 2 1HG GLU 2 -9.680 4.342 0.059 15 H ALA 3 H ALA 3 -7.098 1.278 -0.027 16 HA ALA 3 HA ALA 3 -5.252 0.159 -1.832 17 1HB ALA 3 1HB ALA 3 -3.880 0.407 0.780 18 2HB ALA 3 2HB ALA 3 -3.905 1.835 -0.254 19 3HB ALA 3 3HB ALA 3 -3.212 0.327 -0.851 20 H ASP 4 H ASP 4 -7.224 -1.198 -1.495 21 HA ASP 4 HA ASP 4 -7.729 -2.591 0.881 22 1HB ASP 4 2HB ASP 4 -9.329 -2.506 -0.976 23 2HB ASP 4 1HB ASP 4 -8.238 -3.461 -1.974 24 H ASP 5 H ASP 5 -5.412 -3.135 -1.673 25 HA ASP 5 HA ASP 5 -4.754 -5.806 -1.144 26 1HB ASP 5 2HB ASP 5 -4.007 -4.627 -3.162 27 2HB ASP 5 1HB ASP 5 -2.981 -3.583 -2.185 28 H ASP 6 H ASP 6 -3.584 -6.780 0.402 29 HA ASP 6 HA ASP 6 -2.953 -5.497 2.792 30 1HB ASP 6 2HB ASP 6 -1.911 -8.110 1.682 31 2HB ASP 6 1HB ASP 6 -1.801 -7.601 3.358 32 H MET 7 H MET 7 -1.677 -3.673 2.291 33 HA MET 7 HA MET 7 1.126 -4.130 2.422 34 1HB MET 7 2HB MET 7 1.761 -3.032 0.315 35 2HB MET 7 1HB MET 7 0.872 -4.522 0.032 36 1HG MET 7 2HG MET 7 -1.156 -3.235 -0.403 37 2HG MET 7 1HG MET 7 -0.264 -1.739 -0.117 38 1HE MET 7 1HE MET 7 -1.686 -1.425 -2.144 39 2HE MET 7 2HE MET 7 -1.600 -2.418 -3.599 40 3HE MET 7 3HE MET 7 -0.637 -0.946 -3.478 41 H GLY 8 H GLY 8 2.359 -2.093 2.545 42 1HA GLY 8 2HA GLY 8 1.671 0.462 2.447 43 2HA GLY 8 1HA GLY 8 0.729 -0.047 3.841 44 H PHE 9 H PHE 9 4.055 -0.127 2.571 45 HA PHE 9 HA PHE 9 5.049 0.854 5.076 46 1HB PHE 9 2HB PHE 9 6.635 -1.068 5.379 47 2HB PHE 9 1HB PHE 9 4.942 -1.459 5.650 48 HD1 PHE 9 1HD PHE 9 7.496 -1.582 2.911 49 HD2 PHE 9 2HD PHE 9 4.084 -3.354 4.731 50 HE1 PHE 9 1HE PHE 9 7.637 -3.460 1.336 51 HE2 PHE 9 2HE PHE 9 4.223 -5.240 3.160 52 HZ PHE 9 HZ PHE 9 6.002 -5.295 1.460 53 H GLY 10 H GLY 10 7.796 -0.241 4.308 54 1HA GLY 10 2HA GLY 10 8.668 2.007 2.916 55 2HA GLY 10 1HA GLY 10 9.603 0.543 3.147 56 H LEU 11 H LEU 11 6.857 -0.403 1.536 57 HA LEU 11 HA LEU 11 8.248 -0.823 -0.890 58 1HB LEU 11 2HB LEU 11 6.429 -2.284 -0.043 59 2HB LEU 11 1HB LEU 11 5.280 -0.996 -0.360 60 1HD1 LEU 11 1HD2 LEU 11 5.404 -3.942 -1.483 61 2HD1 LEU 11 2HD2 LEU 11 4.882 -3.512 -3.113 62 3HD1 LEU 11 3HD2 LEU 11 4.067 -2.815 -1.712 63 1HD2 LEU 11 1HD1 LEU 11 4.815 -1.299 -3.756 64 2HD2 LEU 11 2HD1 LEU 11 6.380 -0.502 -3.604 65 3HD2 LEU 11 3HD1 LEU 11 5.071 -0.095 -2.494 66 H PHE 12 H PHE 12 5.867 1.513 0.171 67 HA PHE 12 HA PHE 12 6.607 3.250 -2.043 68 1HB PHE 12 2HB PHE 12 4.219 3.737 -2.572 69 2HB PHE 12 1HB PHE 12 4.713 2.095 -2.979 70 HD1 PHE 12 1HD PHE 12 3.276 3.902 -0.024 71 HD2 PHE 12 2HD PHE 12 3.202 0.454 -2.518 72 HE1 PHE 12 1HE PHE 12 1.399 3.003 1.282 73 HE2 PHE 12 2HE PHE 12 1.323 -0.449 -1.215 74 HZ PHE 12 HZ PHE 12 0.418 0.825 0.687 75 H ASP 13 H ASP 13 6.752 3.094 0.999 76 HA ASP 13 HA ASP 13 5.125 4.935 2.249 77 1HB ASP 13 2HB ASP 13 6.955 5.259 3.857 78 2HB ASP 13 1HB ASP 13 6.763 3.557 3.445 Start of MODEL 8 1 1H GLU 1 1HT GLU 1 -7.743 8.721 -2.996 2 2H GLU 1 2HT GLU 1 -8.237 8.563 -1.360 3 3H GLU 1 3HT GLU 1 -8.706 7.385 -2.517 4 HA GLU 1 HA GLU 1 -6.314 6.934 -2.862 5 1HB GLU 1 2HB GLU 1 -6.173 8.542 -0.302 6 2HB GLU 1 1HB GLU 1 -4.843 7.627 -1.001 7 1HG GLU 1 2HG GLU 1 -6.220 9.975 -2.286 8 2HG GLU 1 1HG GLU 1 -4.662 10.017 -1.464 9 H GLU 2 H GLU 2 -6.703 4.829 -2.584 10 HA GLU 2 HA GLU 2 -7.233 3.880 0.142 11 1HB GLU 2 2HB GLU 2 -8.614 2.872 -2.354 12 2HB GLU 2 1HB GLU 2 -8.761 2.155 -0.756 13 1HG GLU 2 2HG GLU 2 -10.694 3.461 -1.109 14 2HG GLU 2 1HG GLU 2 -9.688 4.337 0.041 15 H ALA 3 H ALA 3 -7.099 1.276 -0.029 16 HA ALA 3 HA ALA 3 -5.252 0.159 -1.832 17 1HB ALA 3 1HB ALA 3 -3.881 0.407 0.780 18 2HB ALA 3 2HB ALA 3 -3.907 1.835 -0.254 19 3HB ALA 3 3HB ALA 3 -3.213 0.328 -0.851 20 H ASP 4 H ASP 4 -7.223 -1.199 -1.497 21 HA ASP 4 HA ASP 4 -7.729 -2.591 0.880 22 1HB ASP 4 2HB ASP 4 -9.329 -2.506 -0.977 23 2HB ASP 4 1HB ASP 4 -8.237 -3.463 -1.975 24 H ASP 5 H ASP 5 -5.411 -3.135 -1.673 25 HA ASP 5 HA ASP 5 -4.753 -5.806 -1.145 26 1HB ASP 5 2HB ASP 5 -4.007 -4.628 -3.162 27 2HB ASP 5 1HB ASP 5 -2.980 -3.584 -2.185 28 H ASP 6 H ASP 6 -3.583 -6.779 0.402 29 HA ASP 6 HA ASP 6 -2.953 -5.497 2.793 30 1HB ASP 6 2HB ASP 6 -1.911 -8.109 1.684 31 2HB ASP 6 1HB ASP 6 -1.800 -7.600 3.359 32 H MET 7 H MET 7 -1.678 -3.672 2.290 33 HA MET 7 HA MET 7 1.127 -4.129 2.423 34 1HB MET 7 2HB MET 7 1.760 -3.032 0.316 35 2HB MET 7 1HB MET 7 0.873 -4.523 0.032 36 1HG MET 7 2HG MET 7 -1.156 -3.236 -0.402 37 2HG MET 7 1HG MET 7 -0.263 -1.739 -0.117 38 1HE MET 7 1HE MET 7 -1.885 -1.798 -2.260 39 2HE MET 7 2HE MET 7 -1.318 -2.225 -3.874 40 3HE MET 7 3HE MET 7 -0.720 -0.765 -3.087 41 H GLY 8 H GLY 8 2.359 -2.092 2.545 42 1HA GLY 8 2HA GLY 8 1.670 0.463 2.447 43 2HA GLY 8 1HA GLY 8 0.729 -0.046 3.841 44 H PHE 9 H PHE 9 4.054 -0.127 2.572 45 HA PHE 9 HA PHE 9 5.050 0.855 5.076 46 1HB PHE 9 2HB PHE 9 6.635 -1.067 5.380 47 2HB PHE 9 1HB PHE 9 4.942 -1.458 5.651 48 HD1 PHE 9 1HD PHE 9 7.496 -1.582 2.911 49 HD2 PHE 9 2HD PHE 9 4.083 -3.353 4.733 50 HE1 PHE 9 1HE PHE 9 7.637 -3.459 1.336 51 HE2 PHE 9 2HE PHE 9 4.223 -5.239 3.161 52 HZ PHE 9 HZ PHE 9 6.001 -5.295 1.461 53 H GLY 10 H GLY 10 7.795 -0.240 4.309 54 1HA GLY 10 2HA GLY 10 8.667 2.007 2.916 55 2HA GLY 10 1HA GLY 10 9.603 0.544 3.147 56 H LEU 11 H LEU 11 6.856 -0.404 1.537 57 HA LEU 11 HA LEU 11 8.247 -0.824 -0.890 58 1HB LEU 11 2HB LEU 11 6.428 -2.284 -0.042 59 2HB LEU 11 1HB LEU 11 5.279 -0.996 -0.360 60 1HD1 LEU 11 1HD2 LEU 11 4.636 -3.305 -3.102 61 2HD1 LEU 11 2HD2 LEU 11 4.196 -2.923 -1.437 62 3HD1 LEU 11 3HD2 LEU 11 5.519 -4.042 -1.766 63 1HD2 LEU 11 1HD1 LEU 11 4.813 -1.300 -3.755 64 2HD2 LEU 11 2HD1 LEU 11 6.379 -0.504 -3.604 65 3HD2 LEU 11 3HD1 LEU 11 5.071 -0.096 -2.494 66 H PHE 12 H PHE 12 5.866 1.513 0.171 67 HA PHE 12 HA PHE 12 6.607 3.249 -2.044 68 1HB PHE 12 2HB PHE 12 4.219 3.736 -2.573 69 2HB PHE 12 1HB PHE 12 4.713 2.093 -2.979 70 HD1 PHE 12 1HD PHE 12 3.275 3.903 -0.025 71 HD2 PHE 12 2HD PHE 12 3.201 0.453 -2.517 72 HE1 PHE 12 1HE PHE 12 1.400 3.004 1.281 73 HE2 PHE 12 2HE PHE 12 1.322 -0.449 -1.214 74 HZ PHE 12 HZ PHE 12 0.418 0.826 0.687 75 H ASP 13 H ASP 13 6.751 3.094 0.998 76 HA ASP 13 HA ASP 13 5.126 4.936 2.248 77 1HB ASP 13 2HB ASP 13 6.955 5.260 3.855 78 2HB ASP 13 1HB ASP 13 6.763 3.557 3.445 Start of MODEL 9 1 1H GLU 1 1HT GLU 1 -8.057 9.035 -2.452 2 2H GLU 1 2HT GLU 1 -7.798 8.819 -0.768 3 3H GLU 1 3HT GLU 1 -9.032 7.935 -1.569 4 HA GLU 1 HA GLU 1 -7.215 6.995 -2.984 5 1HB GLU 1 2HB GLU 1 -5.626 8.087 -0.650 6 2HB GLU 1 1HB GLU 1 -5.000 7.006 -1.886 7 1HG GLU 1 2HG GLU 1 -6.039 9.791 -2.358 8 2HG GLU 1 1HG GLU 1 -4.342 9.325 -2.269 9 H GLU 2 H GLU 2 -6.972 4.833 -2.604 10 HA GLU 2 HA GLU 2 -7.494 3.851 0.111 11 1HB GLU 2 2HB GLU 2 -8.810 2.800 -2.401 12 2HB GLU 2 1HB GLU 2 -8.942 2.070 -0.810 13 1HG GLU 2 2HG GLU 2 -10.923 3.299 -1.175 14 2HG GLU 2 1HG GLU 2 -9.964 4.211 -0.012 15 H ALA 3 H ALA 3 -7.268 1.246 -0.092 16 HA ALA 3 HA ALA 3 -5.345 0.226 -1.875 17 1HB ALA 3 1HB ALA 3 -3.333 0.430 -0.832 18 2HB ALA 3 2HB ALA 3 -4.049 0.513 0.779 19 3HB ALA 3 3HB ALA 3 -4.082 1.926 -0.276 20 H ASP 4 H ASP 4 -7.271 -1.209 -1.597 21 HA ASP 4 HA ASP 4 -7.769 -2.656 0.749 22 1HB ASP 4 2HB ASP 4 -9.337 -2.601 -1.136 23 2HB ASP 4 1HB ASP 4 -8.193 -3.500 -2.127 24 H ASP 5 H ASP 5 -5.387 -3.074 -1.769 25 HA ASP 5 HA ASP 5 -4.639 -5.727 -1.267 26 1HB ASP 5 2HB ASP 5 -3.902 -4.493 -3.254 27 2HB ASP 5 1HB ASP 5 -2.933 -3.425 -2.243 28 H ASP 6 H ASP 6 -3.596 -6.664 0.370 29 HA ASP 6 HA ASP 6 -2.974 -5.333 2.737 30 1HB ASP 6 2HB ASP 6 -1.991 -8.007 1.722 31 2HB ASP 6 1HB ASP 6 -1.898 -7.453 3.385 32 H MET 7 H MET 7 -1.580 -3.619 2.463 33 HA MET 7 HA MET 7 1.176 -4.132 2.601 34 1HB MET 7 2HB MET 7 1.926 -3.143 0.479 35 2HB MET 7 1HB MET 7 1.000 -4.614 0.219 36 1HG MET 7 2HG MET 7 -0.966 -3.282 -0.346 37 2HG MET 7 1HG MET 7 -0.036 -1.805 -0.085 38 1HE MET 7 1HE MET 7 -1.166 -1.279 -2.204 39 2HE MET 7 2HE MET 7 -1.447 -2.611 -3.325 40 3HE MET 7 3HE MET 7 -0.270 -1.359 -3.721 41 H GLY 8 H GLY 8 2.427 -2.225 2.949 42 1HA GLY 8 2HA GLY 8 1.759 0.392 2.640 43 2HA GLY 8 1HA GLY 8 0.869 -0.081 4.078 44 H PHE 9 H PHE 9 4.143 -0.170 2.688 45 HA PHE 9 HA PHE 9 5.226 0.849 5.141 46 1HB PHE 9 2HB PHE 9 6.835 -1.059 5.406 47 2HB PHE 9 1HB PHE 9 5.157 -1.457 5.747 48 HD1 PHE 9 1HD PHE 9 7.605 -1.599 2.914 49 HD2 PHE 9 2HD PHE 9 4.277 -3.369 4.885 50 HE1 PHE 9 1HE PHE 9 7.699 -3.495 1.357 51 HE2 PHE 9 2HE PHE 9 4.369 -5.274 3.334 52 HZ PHE 9 HZ PHE 9 6.082 -5.339 1.567 53 H GLY 10 H GLY 10 7.948 -0.238 4.283 54 1HA GLY 10 2HA GLY 10 8.751 1.998 2.830 55 2HA GLY 10 1HA GLY 10 9.704 0.543 3.042 56 H LEU 11 H LEU 11 6.906 -0.441 1.550 57 HA LEU 11 HA LEU 11 8.206 -0.883 -0.922 58 1HB LEU 11 2HB LEU 11 6.430 -2.344 0.013 59 2HB LEU 11 1HB LEU 11 5.261 -1.067 -0.277 60 1HD1 LEU 11 1HD2 LEU 11 4.533 -3.418 -2.966 61 2HD1 LEU 11 2HD2 LEU 11 4.146 -3.012 -1.293 62 3HD1 LEU 11 3HD2 LEU 11 5.465 -4.127 -1.647 63 1HD2 LEU 11 1HD1 LEU 11 4.668 -1.416 -3.648 64 2HD2 LEU 11 2HD1 LEU 11 6.234 -0.608 -3.567 65 3HD2 LEU 11 3HD1 LEU 11 4.966 -0.194 -2.413 66 H PHE 12 H PHE 12 5.851 1.451 0.200 67 HA PHE 12 HA PHE 12 6.496 3.165 -2.062 68 1HB PHE 12 2HB PHE 12 4.086 3.630 -2.507 69 2HB PHE 12 1HB PHE 12 4.575 1.986 -2.911 70 HD1 PHE 12 1HD PHE 12 3.238 3.823 0.073 71 HD2 PHE 12 2HD PHE 12 3.094 0.342 -2.372 72 HE1 PHE 12 1HE PHE 12 1.419 2.929 1.460 73 HE2 PHE 12 2HE PHE 12 1.270 -0.555 -0.989 74 HZ PHE 12 HZ PHE 12 0.431 0.737 0.930 75 H ASP 13 H ASP 13 6.756 3.048 0.974 76 HA ASP 13 HA ASP 13 5.167 4.895 2.262 77 1HB ASP 13 2HB ASP 13 7.053 5.249 3.795 78 2HB ASP 13 1HB ASP 13 6.856 3.542 3.413 Start of MODEL 10 1 1H GLU 1 1HT GLU 1 -7.753 9.224 -2.034 2 2H GLU 1 2HT GLU 1 -7.184 8.779 -0.478 3 3H GLU 1 3HT GLU 1 -8.714 8.228 -1.025 4 HA GLU 1 HA GLU 1 -7.491 7.126 -2.877 5 1HB GLU 1 2HB GLU 1 -5.217 7.683 -0.960 6 2HB GLU 1 1HB GLU 1 -5.121 6.639 -2.370 7 1HG GLU 1 2HG GLU 1 -5.681 9.596 -2.414 8 2HG GLU 1 1HG GLU 1 -4.134 8.834 -2.779 9 H GLU 2 H GLU 2 -6.928 4.848 -2.575 10 HA GLU 2 HA GLU 2 -7.524 3.823 0.110 11 1HB GLU 2 2HB GLU 2 -8.759 2.804 -2.456 12 2HB GLU 2 1HB GLU 2 -8.937 2.050 -0.880 13 1HG GLU 2 2HG GLU 2 -10.910 3.277 -1.286 14 2HG GLU 2 1HG GLU 2 -9.992 4.174 -0.082 15 H ALA 3 H ALA 3 -7.268 1.231 -0.104 16 HA ALA 3 HA ALA 3 -5.301 0.234 -1.852 17 1HB ALA 3 1HB ALA 3 -4.057 0.498 0.825 18 2HB ALA 3 2HB ALA 3 -4.091 1.933 -0.198 19 3HB ALA 3 3HB ALA 3 -3.314 0.459 -0.774 20 H ASP 4 H ASP 4 -7.223 -1.215 -1.623 21 HA ASP 4 HA ASP 4 -7.762 -2.678 0.704 22 1HB ASP 4 2HB ASP 4 -9.289 -2.622 -1.215 23 2HB ASP 4 1HB ASP 4 -8.119 -3.509 -2.186 24 H ASP 5 H ASP 5 -5.324 -3.068 -1.766 25 HA ASP 5 HA ASP 5 -4.571 -5.719 -1.263 26 1HB ASP 5 2HB ASP 5 -3.800 -4.468 -3.228 27 2HB ASP 5 1HB ASP 5 -2.859 -3.401 -2.191 28 H ASP 6 H ASP 6 -3.585 -6.655 0.407 29 HA ASP 6 HA ASP 6 -3.003 -5.320 2.783 30 1HB ASP 6 2HB ASP 6 -2.019 -8.005 1.797 31 2HB ASP 6 1HB ASP 6 -1.957 -7.447 3.461 32 H MET 7 H MET 7 -1.637 -3.563 2.281 33 HA MET 7 HA MET 7 1.138 -4.120 2.546 34 1HB MET 7 2HB MET 7 1.902 -3.117 0.434 35 2HB MET 7 1HB MET 7 0.969 -4.581 0.160 36 1HG MET 7 2HG MET 7 -0.989 -3.234 -0.401 37 2HG MET 7 1HG MET 7 -0.052 -1.763 -0.125 38 1HE MET 7 1HE MET 7 -1.593 -1.857 -2.345 39 2HE MET 7 2HE MET 7 -0.947 -2.318 -3.920 40 3HE MET 7 3HE MET 7 -0.357 -0.864 -3.116 41 H GLY 8 H GLY 8 2.397 -2.225 2.920 42 1HA GLY 8 2HA GLY 8 1.743 0.401 2.628 43 2HA GLY 8 1HA GLY 8 0.848 -0.081 4.061 44 H PHE 9 H PHE 9 4.125 -0.172 2.675 45 HA PHE 9 HA PHE 9 5.209 0.820 5.138 46 1HB PHE 9 2HB PHE 9 6.809 -1.097 5.389 47 2HB PHE 9 1HB PHE 9 5.128 -1.491 5.724 48 HD1 PHE 9 1HD PHE 9 7.580 -1.619 2.892 49 HD2 PHE 9 2HD PHE 9 4.241 -3.391 4.845 50 HE1 PHE 9 1HE PHE 9 7.666 -3.502 1.320 51 HE2 PHE 9 2HE PHE 9 4.326 -5.283 3.277 52 HZ PHE 9 HZ PHE 9 6.041 -5.340 1.512 53 H GLY 10 H GLY 10 7.927 -0.273 4.273 54 1HA GLY 10 2HA GLY 10 8.742 1.972 2.840 55 2HA GLY 10 1HA GLY 10 9.689 0.512 3.042 56 H LEU 11 H LEU 11 6.887 -0.447 1.538 57 HA LEU 11 HA LEU 11 8.188 -0.874 -0.937 58 1HB LEU 11 2HB LEU 11 6.404 -2.334 -0.017 59 2HB LEU 11 1HB LEU 11 5.242 -1.050 -0.297 60 1HD1 LEU 11 1HD2 LEU 11 4.560 -3.418 -3.018 61 2HD1 LEU 11 2HD2 LEU 11 4.085 -2.953 -1.385 62 3HD1 LEU 11 3HD2 LEU 11 5.418 -4.082 -1.627 63 1HD2 LEU 11 1HD1 LEU 11 4.653 -1.367 -3.672 64 2HD2 LEU 11 2HD1 LEU 11 6.221 -0.567 -3.582 65 3HD2 LEU 11 3HD1 LEU 11 4.953 -0.157 -2.426 66 H PHE 12 H PHE 12 5.842 1.462 0.202 67 HA PHE 12 HA PHE 12 6.498 3.192 -2.044 68 1HB PHE 12 2HB PHE 12 4.090 3.671 -2.488 69 2HB PHE 12 1HB PHE 12 4.573 2.029 -2.906 70 HD1 PHE 12 1HD PHE 12 3.241 3.846 0.092 71 HD2 PHE 12 2HD PHE 12 3.083 0.387 -2.383 72 HE1 PHE 12 1HE PHE 12 1.416 2.948 1.469 73 HE2 PHE 12 2HE PHE 12 1.255 -0.515 -1.009 74 HZ PHE 12 HZ PHE 12 0.418 0.766 0.920 75 H ASP 13 H ASP 13 6.753 3.048 0.991 76 HA ASP 13 HA ASP 13 5.170 4.890 2.292 77 1HB ASP 13 2HB ASP 13 7.057 5.224 3.832 78 2HB ASP 13 1HB ASP 13 6.854 3.520 3.434 Start of MODEL 11 1 1H GLU 1 1HT GLU 1 -5.120 9.325 -2.751 2 2H GLU 1 2HT GLU 1 -4.567 8.855 -1.196 3 3H GLU 1 3HT GLU 1 -6.214 8.641 -1.623 4 HA GLU 1 HA GLU 1 -5.423 7.164 -3.434 5 1HB GLU 1 2HB GLU 1 -2.915 7.334 -1.749 6 2HB GLU 1 1HB GLU 1 -3.177 6.200 -3.067 7 1HG GLU 1 2HG GLU 1 -3.091 9.198 -3.326 8 2HG GLU 1 1HG GLU 1 -1.784 8.090 -3.738 9 H GLU 2 H GLU 2 -5.523 4.890 -3.016 10 HA GLU 2 HA GLU 2 -5.930 4.156 -0.204 11 1HB GLU 2 2HB GLU 2 -7.783 3.430 -2.483 12 2HB GLU 2 1HB GLU 2 -7.901 2.806 -0.845 13 1HG GLU 2 2HG GLU 2 -9.516 4.512 -1.053 14 2HG GLU 2 1HG GLU 2 -8.213 5.162 -0.064 15 H ALA 3 H ALA 3 -6.338 1.611 -0.184 16 HA ALA 3 HA ALA 3 -5.080 0.016 -2.130 17 1HB ALA 3 1HB ALA 3 -2.921 -0.209 -1.482 18 2HB ALA 3 2HB ALA 3 -3.284 0.081 0.219 19 3HB ALA 3 3HB ALA 3 -3.178 1.437 -0.904 20 H ASP 4 H ASP 4 -7.138 -0.965 -1.485 21 HA ASP 4 HA ASP 4 -7.675 -2.000 1.050 22 1HB ASP 4 2HB ASP 4 -9.364 -1.870 -0.724 23 2HB ASP 4 1HB ASP 4 -8.503 -3.098 -1.647 24 H ASP 5 H ASP 5 -5.597 -3.163 -1.488 25 HA ASP 5 HA ASP 5 -5.338 -5.843 -0.738 26 1HB ASP 5 2HB ASP 5 -4.461 -4.941 -2.851 27 2HB ASP 5 1HB ASP 5 -3.255 -4.017 -1.962 28 H ASP 6 H ASP 6 -4.182 -6.892 0.801 29 HA ASP 6 HA ASP 6 -3.379 -5.553 3.116 30 1HB ASP 6 2HB ASP 6 -2.671 -8.329 2.148 31 2HB ASP 6 1HB ASP 6 -2.467 -7.741 3.790 32 H MET 7 H MET 7 -1.927 -3.911 2.405 33 HA MET 7 HA MET 7 0.825 -4.765 2.443 34 1HB MET 7 2HB MET 7 1.456 -3.609 0.360 35 2HB MET 7 1HB MET 7 0.371 -4.961 0.061 36 1HG MET 7 2HG MET 7 -1.504 -3.422 -0.162 37 2HG MET 7 1HG MET 7 -0.428 -2.059 0.157 38 1HE MET 7 1HE MET 7 -2.287 -2.015 -2.065 39 2HE MET 7 2HE MET 7 -1.523 -1.958 -3.653 40 3HE MET 7 3HE MET 7 -1.050 -0.805 -2.405 41 H GLY 8 H GLY 8 2.181 -3.205 3.231 42 1HA GLY 8 2HA GLY 8 1.603 -0.424 3.196 43 2HA GLY 8 1HA GLY 8 1.150 -1.120 4.745 44 H PHE 9 H PHE 9 3.835 -0.580 2.528 45 HA PHE 9 HA PHE 9 5.626 -0.537 4.820 46 1HB PHE 9 2HB PHE 9 7.333 -1.657 3.176 47 2HB PHE 9 1HB PHE 9 6.213 -2.629 4.126 48 HD1 PHE 9 1HD PHE 9 5.922 -0.777 0.882 49 HD2 PHE 9 2HD PHE 9 5.530 -4.443 2.991 50 HE1 PHE 9 1HE PHE 9 5.067 -1.859 -1.161 51 HE2 PHE 9 2HE PHE 9 4.676 -5.535 0.958 52 HZ PHE 9 HZ PHE 9 4.445 -4.240 -1.123 53 H GLY 10 H GLY 10 7.984 -0.036 3.623 54 1HA GLY 10 2HA GLY 10 7.718 2.706 3.013 55 2HA GLY 10 1HA GLY 10 9.209 1.791 2.968 56 H LEU 11 H LEU 11 7.957 -0.073 0.943 57 HA LEU 11 HA LEU 11 9.017 1.016 -1.352 58 1HB LEU 11 2HB LEU 11 6.694 -0.894 -1.198 59 2HB LEU 11 1HB LEU 11 7.691 -0.615 -2.614 60 1HD1 LEU 11 1HD2 LEU 11 8.699 -3.361 -2.498 61 2HD1 LEU 11 2HD2 LEU 11 7.107 -3.063 -1.802 62 3HD1 LEU 11 3HD2 LEU 11 8.353 -3.862 -0.843 63 1HD2 LEU 11 1HD1 LEU 11 10.734 -2.193 -1.128 64 2HD2 LEU 11 2HD1 LEU 11 10.347 -0.477 -1.249 65 3HD2 LEU 11 3HD1 LEU 11 10.097 -1.536 -2.636 66 H PHE 12 H PHE 12 5.923 1.604 0.086 67 HA PHE 12 HA PHE 12 5.454 3.748 -1.818 68 1HB PHE 12 2HB PHE 12 3.111 3.054 -2.229 69 2HB PHE 12 1HB PHE 12 4.283 1.908 -2.875 70 HD1 PHE 12 1HD PHE 12 2.405 2.463 0.324 71 HD2 PHE 12 2HD PHE 12 3.792 -0.302 -2.599 72 HE1 PHE 12 1HE PHE 12 1.296 0.637 1.533 73 HE2 PHE 12 2HE PHE 12 2.680 -2.134 -1.395 74 HZ PHE 12 HZ PHE 12 1.431 -1.665 0.673 75 H ASP 13 H ASP 13 5.937 3.171 1.182 76 HA ASP 13 HA ASP 13 3.770 3.784 2.748 77 1HB ASP 13 2HB ASP 13 5.352 4.704 4.377 78 2HB ASP 13 1HB ASP 13 5.988 3.228 3.654 Start of MODEL 12 1 1H GLU 1 1HT GLU 1 -0.946 7.564 2.589 2 2H GLU 1 2HT GLU 1 -0.513 6.058 3.288 3 3H GLU 1 3HT GLU 1 -2.073 6.719 3.565 4 HA GLU 1 HA GLU 1 -2.394 6.616 1.110 5 1HB GLU 1 2HB GLU 1 -0.008 4.782 1.438 6 2HB GLU 1 1HB GLU 1 -0.973 4.939 -0.023 7 1HG GLU 1 2HG GLU 1 0.657 7.130 1.245 8 2HG GLU 1 1HG GLU 1 1.125 6.180 -0.164 9 H GLU 2 H GLU 2 -3.116 4.394 0.158 10 HA GLU 2 HA GLU 2 -3.922 2.582 2.321 11 1HB GLU 2 2HB GLU 2 -5.763 3.667 0.181 12 2HB GLU 2 1HB GLU 2 -6.184 2.412 1.336 13 1HG GLU 2 2HG GLU 2 -7.129 4.423 2.127 14 2HG GLU 2 1HG GLU 2 -5.748 4.067 3.161 15 H ALA 3 H ALA 3 -5.232 0.665 1.105 16 HA ALA 3 HA ALA 3 -4.358 -0.108 -1.456 17 1HB ALA 3 1HB ALA 3 -2.239 -0.236 0.114 18 2HB ALA 3 2HB ALA 3 -2.541 -1.454 -1.126 19 3HB ALA 3 3HB ALA 3 -2.953 -1.786 0.556 20 H ASP 4 H ASP 4 -6.212 -1.086 -1.958 21 HA ASP 4 HA ASP 4 -7.865 -2.470 -0.149 22 1HB ASP 4 2HB ASP 4 -8.716 -1.488 -2.226 23 2HB ASP 4 1HB ASP 4 -7.769 -2.635 -3.169 24 H ASP 5 H ASP 5 -5.010 -3.435 -1.760 25 HA ASP 5 HA ASP 5 -5.654 -6.279 -1.501 26 1HB ASP 5 2HB ASP 5 -4.637 -5.486 -3.618 27 2HB ASP 5 1HB ASP 5 -3.220 -4.954 -2.720 28 H ASP 6 H ASP 6 -5.315 -4.698 0.864 29 HA ASP 6 HA ASP 6 -4.149 -4.574 2.826 30 1HB ASP 6 2HB ASP 6 -5.029 -6.848 2.915 31 2HB ASP 6 1HB ASP 6 -3.621 -7.446 2.044 32 H MET 7 H MET 7 -2.511 -3.108 2.349 33 HA MET 7 HA MET 7 0.121 -3.986 2.701 34 1HB MET 7 2HB MET 7 1.091 -3.476 0.495 35 2HB MET 7 1HB MET 7 -0.036 -4.824 0.421 36 1HG MET 7 2HG MET 7 -1.759 -3.339 -0.466 37 2HG MET 7 1HG MET 7 -0.628 -1.986 -0.392 38 1HE MET 7 1HE MET 7 -2.230 -2.668 -2.896 39 2HE MET 7 2HE MET 7 -1.089 -2.794 -4.236 40 3HE MET 7 3HE MET 7 -0.966 -1.454 -3.096 41 H GLY 8 H GLY 8 1.368 -2.320 3.365 42 1HA GLY 8 2HA GLY 8 1.053 0.358 2.443 43 2HA GLY 8 1HA GLY 8 0.291 0.139 4.012 44 H PHE 9 H PHE 9 3.344 -0.041 2.265 45 HA PHE 9 HA PHE 9 4.722 0.563 4.756 46 1HB PHE 9 2HB PHE 9 6.595 -0.990 3.775 47 2HB PHE 9 1HB PHE 9 5.270 -1.649 4.730 48 HD1 PHE 9 1HD PHE 9 5.633 -0.704 1.123 49 HD2 PHE 9 2HD PHE 9 4.659 -3.680 3.993 50 HE1 PHE 9 1HE PHE 9 5.044 -2.261 -0.694 51 HE2 PHE 9 2HE PHE 9 4.068 -5.246 2.186 52 HZ PHE 9 HZ PHE 9 4.262 -4.533 -0.163 53 H GLY 10 H GLY 10 7.270 0.688 3.941 54 1HA GLY 10 2HA GLY 10 7.303 3.169 2.586 55 2HA GLY 10 1HA GLY 10 8.711 2.264 3.094 56 H LEU 11 H LEU 11 7.610 -0.058 1.400 57 HA LEU 11 HA LEU 11 9.217 0.309 -0.823 58 1HB LEU 11 2HB LEU 11 8.303 -1.865 -0.047 59 2HB LEU 11 1HB LEU 11 6.735 -1.393 -0.673 60 1HD1 LEU 11 1HD2 LEU 11 8.531 -3.870 -2.953 61 2HD1 LEU 11 2HD2 LEU 11 6.931 -3.669 -2.241 62 3HD1 LEU 11 3HD2 LEU 11 8.348 -3.807 -1.201 63 1HD2 LEU 11 1HD1 LEU 11 7.026 -2.075 -3.990 64 2HD2 LEU 11 2HD1 LEU 11 7.924 -0.567 -3.823 65 3HD2 LEU 11 3HD1 LEU 11 6.451 -0.825 -2.887 66 H PHE 12 H PHE 12 5.915 1.260 -0.284 67 HA PHE 12 HA PHE 12 6.011 2.871 -2.712 68 1HB PHE 12 2HB PHE 12 3.729 2.172 -3.377 69 2HB PHE 12 1HB PHE 12 4.896 0.854 -3.460 70 HD1 PHE 12 1HD PHE 12 2.528 2.324 -0.951 71 HD2 PHE 12 2HD PHE 12 4.182 -1.180 -2.715 72 HE1 PHE 12 1HE PHE 12 1.072 0.934 0.454 73 HE2 PHE 12 2HE PHE 12 2.722 -2.575 -1.313 74 HZ PHE 12 HZ PHE 12 1.166 -1.518 0.274 75 H ASP 13 H ASP 13 5.887 3.107 0.374 76 HA ASP 13 HA ASP 13 3.549 4.191 1.288 77 1HB ASP 13 2HB ASP 13 4.893 5.504 2.862 78 2HB ASP 13 1HB ASP 13 5.538 3.872 2.697 Start of MODEL 13 1 1H GLU 1 1HT GLU 1 -1.166 7.692 2.522 2 2H GLU 1 2HT GLU 1 -0.751 6.293 3.426 3 3H GLU 1 3HT GLU 1 -2.369 6.866 3.420 4 HA GLU 1 HA GLU 1 -2.317 6.512 0.960 5 1HB GLU 1 2HB GLU 1 0.062 4.855 1.832 6 2HB GLU 1 1HB GLU 1 -0.677 4.809 0.237 7 1HG GLU 1 2HG GLU 1 0.656 7.204 1.482 8 2HG GLU 1 1HG GLU 1 1.368 6.142 0.268 9 H GLU 2 H GLU 2 -3.117 4.397 0.160 10 HA GLU 2 HA GLU 2 -3.924 2.581 2.321 11 1HB GLU 2 2HB GLU 2 -5.761 3.669 0.178 12 2HB GLU 2 1HB GLU 2 -6.185 2.414 1.333 13 1HG GLU 2 2HG GLU 2 -7.129 4.428 2.123 14 2HG GLU 2 1HG GLU 2 -5.749 4.069 3.158 15 H ALA 3 H ALA 3 -5.232 0.665 1.104 16 HA ALA 3 HA ALA 3 -4.358 -0.108 -1.456 17 1HB ALA 3 1HB ALA 3 -2.953 -1.786 0.556 18 2HB ALA 3 2HB ALA 3 -2.239 -0.236 0.113 19 3HB ALA 3 3HB ALA 3 -2.541 -1.454 -1.126 20 H ASP 4 H ASP 4 -6.211 -1.086 -1.958 21 HA ASP 4 HA ASP 4 -7.865 -2.470 -0.149 22 1HB ASP 4 2HB ASP 4 -8.716 -1.489 -2.227 23 2HB ASP 4 1HB ASP 4 -7.769 -2.635 -3.168 24 H ASP 5 H ASP 5 -5.010 -3.435 -1.759 25 HA ASP 5 HA ASP 5 -5.654 -6.279 -1.500 26 1HB ASP 5 2HB ASP 5 -4.637 -5.486 -3.617 27 2HB ASP 5 1HB ASP 5 -3.220 -4.954 -2.720 28 H ASP 6 H ASP 6 -5.314 -4.698 0.864 29 HA ASP 6 HA ASP 6 -4.149 -4.574 2.826 30 1HB ASP 6 2HB ASP 6 -5.029 -6.848 2.916 31 2HB ASP 6 1HB ASP 6 -3.622 -7.446 2.044 32 H MET 7 H MET 7 -2.512 -3.108 2.348 33 HA MET 7 HA MET 7 0.121 -3.986 2.701 34 1HB MET 7 2HB MET 7 1.090 -3.475 0.495 35 2HB MET 7 1HB MET 7 -0.035 -4.824 0.421 36 1HG MET 7 2HG MET 7 -1.760 -3.339 -0.465 37 2HG MET 7 1HG MET 7 -0.628 -1.986 -0.392 38 1HE MET 7 1HE MET 7 -2.231 -2.679 -2.906 39 2HE MET 7 2HE MET 7 -1.080 -2.785 -4.238 40 3HE MET 7 3HE MET 7 -0.976 -1.453 -3.085 41 H GLY 8 H GLY 8 1.368 -2.321 3.366 42 1HA GLY 8 2HA GLY 8 1.053 0.359 2.444 43 2HA GLY 8 1HA GLY 8 0.291 0.140 4.012 44 H PHE 9 H PHE 9 3.344 -0.041 2.265 45 HA PHE 9 HA PHE 9 4.722 0.563 4.756 46 1HB PHE 9 2HB PHE 9 6.594 -0.990 3.774 47 2HB PHE 9 1HB PHE 9 5.271 -1.649 4.729 48 HD1 PHE 9 1HD PHE 9 5.633 -0.704 1.123 49 HD2 PHE 9 2HD PHE 9 4.659 -3.681 3.993 50 HE1 PHE 9 1HE PHE 9 5.043 -2.261 -0.695 51 HE2 PHE 9 2HE PHE 9 4.068 -5.245 2.186 52 HZ PHE 9 HZ PHE 9 4.262 -4.533 -0.163 53 H GLY 10 H GLY 10 7.270 0.688 3.941 54 1HA GLY 10 2HA GLY 10 7.302 3.169 2.585 55 2HA GLY 10 1HA GLY 10 8.711 2.264 3.093 56 H LEU 11 H LEU 11 7.610 -0.058 1.400 57 HA LEU 11 HA LEU 11 9.217 0.308 -0.822 58 1HB LEU 11 2HB LEU 11 8.303 -1.865 -0.047 59 2HB LEU 11 1HB LEU 11 6.734 -1.392 -0.672 60 1HD1 LEU 11 1HD2 LEU 11 8.387 -3.855 -3.042 61 2HD1 LEU 11 2HD2 LEU 11 6.927 -3.664 -2.071 62 3HD1 LEU 11 3HD2 LEU 11 8.495 -3.826 -1.282 63 1HD2 LEU 11 1HD1 LEU 11 7.026 -2.075 -3.989 64 2HD2 LEU 11 2HD1 LEU 11 7.923 -0.567 -3.824 65 3HD2 LEU 11 3HD1 LEU 11 6.451 -0.826 -2.887 66 H PHE 12 H PHE 12 5.914 1.260 -0.284 67 HA PHE 12 HA PHE 12 6.011 2.871 -2.712 68 1HB PHE 12 2HB PHE 12 3.729 2.172 -3.377 69 2HB PHE 12 1HB PHE 12 4.896 0.854 -3.461 70 HD1 PHE 12 1HD PHE 12 2.529 2.324 -0.951 71 HD2 PHE 12 2HD PHE 12 4.182 -1.180 -2.715 72 HE1 PHE 12 1HE PHE 12 1.072 0.934 0.454 73 HE2 PHE 12 2HE PHE 12 2.722 -2.575 -1.313 74 HZ PHE 12 HZ PHE 12 1.166 -1.518 0.274 75 H ASP 13 H ASP 13 5.886 3.107 0.373 76 HA ASP 13 HA ASP 13 3.549 4.190 1.287 77 1HB ASP 13 2HB ASP 13 4.892 5.504 2.862 78 2HB ASP 13 1HB ASP 13 5.538 3.872 2.697 Start of MODEL 14 1 1H GLU 1 1HT GLU 1 -3.290 8.459 -2.786 2 2H GLU 1 2HT GLU 1 -2.559 6.961 -2.378 3 3H GLU 1 3HT GLU 1 -3.588 7.750 -1.255 4 HA GLU 1 HA GLU 1 -5.382 7.540 -2.928 5 1HB GLU 1 2HB GLU 1 -3.354 5.617 -4.090 6 2HB GLU 1 1HB GLU 1 -5.025 5.766 -4.612 7 1HG GLU 1 2HG GLU 1 -2.936 7.926 -4.789 8 2HG GLU 1 1HG GLU 1 -3.482 6.908 -6.120 9 H GLU 2 H GLU 2 -6.363 5.112 -3.245 10 HA GLU 2 HA GLU 2 -6.419 4.067 -0.546 11 1HB GLU 2 2HB GLU 2 -8.001 3.264 -2.995 12 2HB GLU 2 1HB GLU 2 -8.270 2.649 -1.372 13 1HG GLU 2 2HG GLU 2 -9.907 4.301 -1.766 14 2HG GLU 2 1HG GLU 2 -8.734 5.001 -0.655 15 H ALA 3 H ALA 3 -6.638 1.562 -0.413 16 HA ALA 3 HA ALA 3 -5.243 -0.076 -2.225 17 1HB ALA 3 1HB ALA 3 -3.290 -0.446 -0.462 18 2HB ALA 3 2HB ALA 3 -3.618 1.255 -0.132 19 3HB ALA 3 3HB ALA 3 -3.172 0.742 -1.759 20 H ASP 4 H ASP 4 -7.299 -1.084 -1.563 21 HA ASP 4 HA ASP 4 -7.833 -2.020 1.012 22 1HB ASP 4 2HB ASP 4 -9.508 -2.016 -0.781 23 2HB ASP 4 1HB ASP 4 -8.602 -3.256 -1.643 24 H ASP 5 H ASP 5 -5.714 -3.242 -1.468 25 HA ASP 5 HA ASP 5 -5.379 -5.873 -0.579 26 1HB ASP 5 2HB ASP 5 -4.538 -5.062 -2.743 27 2HB ASP 5 1HB ASP 5 -3.356 -4.057 -1.912 28 H ASP 6 H ASP 6 -4.193 -6.801 1.012 29 HA ASP 6 HA ASP 6 -3.392 -5.289 3.230 30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.467 31 2HB ASP 6 1HB ASP 6 -2.480 -7.424 4.058 32 H MET 7 H MET 7 -1.958 -3.711 2.286 33 HA MET 7 HA MET 7 0.800 -4.669 2.230 34 1HB MET 7 2HB MET 7 1.324 -3.327 0.232 35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.118 36 1HG MET 7 2HG MET 7 -1.654 -2.987 -0.041 37 2HG MET 7 1HG MET 7 -0.503 -1.702 0.330 38 1HE MET 7 1HE MET 7 -2.595 -1.525 -2.008 39 2HE MET 7 2HE MET 7 -1.633 -0.930 -3.360 40 3HE MET 7 3HE MET 7 -1.412 -0.243 -1.750 41 H GLY 8 H GLY 8 2.272 -3.243 3.063 42 1HA GLY 8 2HA GLY 8 1.820 -0.458 3.347 43 2HA GLY 8 1HA GLY 8 1.425 -1.285 4.845 44 H PHE 9 H PHE 9 4.000 -0.631 2.534 45 HA PHE 9 HA PHE 9 5.920 -0.910 4.703 46 1HB PHE 9 2HB PHE 9 7.476 -1.891 2.832 47 2HB PHE 9 1HB PHE 9 6.380 -2.925 3.743 48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753 49 HD2 PHE 9 2HD PHE 9 5.559 -4.578 2.464 50 HE1 PHE 9 1HE PHE 9 4.924 -1.526 -1.333 51 HE2 PHE 9 2HE PHE 9 4.532 -5.405 0.386 52 HZ PHE 9 HZ PHE 9 4.214 -3.874 -1.517 53 H GLY 10 H GLY 10 8.223 -0.356 3.449 54 1HA GLY 10 2HA GLY 10 8.031 2.447 3.144 55 2HA GLY 10 1HA GLY 10 9.486 1.495 2.941 56 H LEU 11 H LEU 11 7.954 -0.089 0.800 57 HA LEU 11 HA LEU 11 9.009 1.175 -1.425 58 1HB LEU 11 2HB LEU 11 8.244 -1.185 -1.335 59 2HB LEU 11 1HB LEU 11 6.586 -0.614 -1.365 60 1HD1 LEU 11 1HD2 LEU 11 7.968 -2.028 -4.632 61 2HD1 LEU 11 2HD2 LEU 11 6.350 -2.044 -3.929 62 3HD1 LEU 11 3HD2 LEU 11 7.734 -2.570 -2.971 63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.003 -4.668 64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.391 -4.159 65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.712 -3.080 66 H PHE 12 H PHE 12 5.951 1.651 0.162 67 HA PHE 12 HA PHE 12 5.520 4.044 -1.448 68 1HB PHE 12 2HB PHE 12 3.125 3.499 -1.776 69 2HB PHE 12 1HB PHE 12 4.199 2.377 -2.608 70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.742 71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.526 72 HE1 PHE 12 1HE PHE 12 1.425 0.782 1.831 73 HE2 PHE 12 2HE PHE 12 2.499 -1.726 -1.442 74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738 75 H ASP 13 H ASP 13 6.134 3.122 1.447 76 HA ASP 13 HA ASP 13 4.110 3.659 3.207 77 1HB ASP 13 2HB ASP 13 5.826 4.375 4.804 78 2HB ASP 13 1HB ASP 13 6.362 2.957 3.902 Start of MODEL 15 1 1H GLU 1 1HT GLU 1 -5.058 9.275 -2.651 2 2H GLU 1 2HT GLU 1 -4.320 8.480 -1.322 3 3H GLU 1 3HT GLU 1 -6.029 8.630 -1.395 4 HA GLU 1 HA GLU 1 -5.883 7.351 -3.525 5 1HB GLU 1 2HB GLU 1 -3.187 6.738 -2.294 6 2HB GLU 1 1HB GLU 1 -3.885 5.903 -3.674 7 1HG GLU 1 2HG GLU 1 -3.158 8.823 -3.577 8 2HG GLU 1 1HG GLU 1 -2.211 7.549 -4.342 9 H GLU 2 H GLU 2 -5.703 4.812 -3.282 10 HA GLU 2 HA GLU 2 -6.443 4.048 -0.546 11 1HB GLU 2 2HB GLU 2 -7.970 3.290 -3.044 12 2HB GLU 2 1HB GLU 2 -8.281 2.653 -1.436 13 1HG GLU 2 2HG GLU 2 -9.901 4.317 -1.844 14 2HG GLU 2 1HG GLU 2 -8.751 4.995 -0.694 15 H ALA 3 H ALA 3 -6.638 1.561 -0.418 16 HA ALA 3 HA ALA 3 -5.243 -0.078 -2.228 17 1HB ALA 3 1HB ALA 3 -3.618 1.254 -0.135 18 2HB ALA 3 2HB ALA 3 -3.173 0.740 -1.763 19 3HB ALA 3 3HB ALA 3 -3.291 -0.447 -0.465 20 H ASP 4 H ASP 4 -7.299 -1.086 -1.566 21 HA ASP 4 HA ASP 4 -7.834 -2.021 1.010 22 1HB ASP 4 2HB ASP 4 -9.509 -2.018 -0.782 23 2HB ASP 4 1HB ASP 4 -8.603 -3.259 -1.644 24 H ASP 5 H ASP 5 -5.714 -3.243 -1.469 25 HA ASP 5 HA ASP 5 -5.379 -5.873 -0.579 26 1HB ASP 5 2HB ASP 5 -4.537 -5.063 -2.743 27 2HB ASP 5 1HB ASP 5 -3.355 -4.059 -1.913 28 H ASP 6 H ASP 6 -4.193 -6.801 1.013 29 HA ASP 6 HA ASP 6 -3.393 -5.288 3.230 30 1HB ASP 6 2HB ASP 6 -2.702 -8.131 2.469 31 2HB ASP 6 1HB ASP 6 -2.481 -7.423 4.059 32 H MET 7 H MET 7 -1.958 -3.710 2.287 33 HA MET 7 HA MET 7 0.799 -4.669 2.231 34 1HB MET 7 2HB MET 7 1.323 -3.327 0.232 35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.117 36 1HG MET 7 2HG MET 7 -1.655 -2.988 -0.041 37 2HG MET 7 1HG MET 7 -0.504 -1.703 0.330 38 1HE MET 7 1HE MET 7 -2.594 -1.524 -2.001 39 2HE MET 7 2HE MET 7 -1.638 -0.939 -3.362 40 3HE MET 7 3HE MET 7 -1.407 -0.242 -1.758 41 H GLY 8 H GLY 8 2.271 -3.242 3.064 42 1HA GLY 8 2HA GLY 8 1.819 -0.456 3.346 43 2HA GLY 8 1HA GLY 8 1.423 -1.283 4.845 44 H PHE 9 H PHE 9 3.999 -0.629 2.533 45 HA PHE 9 HA PHE 9 5.918 -0.907 4.703 46 1HB PHE 9 2HB PHE 9 7.476 -1.889 2.833 47 2HB PHE 9 1HB PHE 9 6.379 -2.924 3.745 48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753 49 HD2 PHE 9 2HD PHE 9 5.558 -4.576 2.466 50 HE1 PHE 9 1HE PHE 9 4.924 -1.527 -1.332 51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.388 52 HZ PHE 9 HZ PHE 9 4.213 -3.876 -1.516 53 H GLY 10 H GLY 10 8.221 -0.354 3.449 54 1HA GLY 10 2HA GLY 10 8.030 2.448 3.142 55 2HA GLY 10 1HA GLY 10 9.484 1.496 2.941 56 H LEU 11 H LEU 11 7.954 -0.088 0.800 57 HA LEU 11 HA LEU 11 9.009 1.174 -1.425 58 1HB LEU 11 2HB LEU 11 8.244 -1.186 -1.334 59 2HB LEU 11 1HB LEU 11 6.586 -0.616 -1.365 60 1HD1 LEU 11 1HD2 LEU 11 7.880 -1.998 -4.684 61 2HD1 LEU 11 2HD2 LEU 11 6.342 -2.079 -3.827 62 3HD1 LEU 11 3HD2 LEU 11 7.830 -2.569 -3.017 63 1HD2 LEU 11 1HD1 LEU 11 6.076 -0.006 -4.669 64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.389 -4.160 65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.710 -3.080 66 H PHE 12 H PHE 12 5.950 1.650 0.162 67 HA PHE 12 HA PHE 12 5.520 4.044 -1.450 68 1HB PHE 12 2HB PHE 12 3.125 3.497 -1.778 69 2HB PHE 12 1HB PHE 12 4.200 2.376 -2.611 70 HD1 PHE 12 1HD PHE 12 2.542 2.676 0.740 71 HD2 PHE 12 2HD PHE 12 3.622 0.171 -2.527 72 HE1 PHE 12 1HE PHE 12 1.423 0.783 1.829 73 HE2 PHE 12 2HE PHE 12 2.498 -1.727 -1.443 74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738 75 H ASP 13 H ASP 13 6.133 3.123 1.445 76 HA ASP 13 HA ASP 13 4.108 3.660 3.203 77 1HB ASP 13 2HB ASP 13 5.825 4.377 4.801 78 2HB ASP 13 1HB ASP 13 6.359 2.960 3.901 Start of MODEL 16 1 1H GLU 1 1HT GLU 1 -5.388 9.262 -2.940 2 2H GLU 1 2HT GLU 1 -5.001 8.742 -1.351 3 3H GLU 1 3HT GLU 1 -6.603 8.576 -1.944 4 HA GLU 1 HA GLU 1 -5.694 7.115 -3.694 5 1HB GLU 1 2HB GLU 1 -3.308 7.225 -1.835 6 2HB GLU 1 1HB GLU 1 -3.489 6.120 -3.189 7 1HG GLU 1 2HG GLU 1 -3.355 9.120 -3.383 8 2HG GLU 1 1HG GLU 1 -2.033 8.005 -3.724 9 H GLU 2 H GLU 2 -5.723 4.801 -3.296 10 HA GLU 2 HA GLU 2 -6.432 4.058 -0.547 11 1HB GLU 2 2HB GLU 2 -7.986 3.276 -3.020 12 2HB GLU 2 1HB GLU 2 -8.275 2.650 -1.405 13 1HG GLU 2 2HG GLU 2 -9.905 4.308 -1.806 14 2HG GLU 2 1HG GLU 2 -8.744 4.997 -0.675 15 H ALA 3 H ALA 3 -6.639 1.562 -0.416 16 HA ALA 3 HA ALA 3 -5.243 -0.077 -2.227 17 1HB ALA 3 1HB ALA 3 -3.291 -0.447 -0.463 18 2HB ALA 3 2HB ALA 3 -3.618 1.254 -0.133 19 3HB ALA 3 3HB ALA 3 -3.172 0.742 -1.761 20 H ASP 4 H ASP 4 -7.299 -1.085 -1.565 21 HA ASP 4 HA ASP 4 -7.834 -2.020 1.010 22 1HB ASP 4 2HB ASP 4 -9.509 -2.017 -0.782 23 2HB ASP 4 1HB ASP 4 -8.602 -3.258 -1.643 24 H ASP 5 H ASP 5 -5.714 -3.242 -1.469 25 HA ASP 5 HA ASP 5 -5.378 -5.873 -0.579 26 1HB ASP 5 2HB ASP 5 -4.537 -5.063 -2.743 27 2HB ASP 5 1HB ASP 5 -3.355 -4.058 -1.912 28 H ASP 6 H ASP 6 -4.193 -6.801 1.012 29 HA ASP 6 HA ASP 6 -3.392 -5.288 3.230 30 1HB ASP 6 2HB ASP 6 -2.701 -8.131 2.468 31 2HB ASP 6 1HB ASP 6 -2.481 -7.423 4.059 32 H MET 7 H MET 7 -1.958 -3.711 2.287 33 HA MET 7 HA MET 7 0.800 -4.669 2.230 34 1HB MET 7 2HB MET 7 1.324 -3.326 0.232 35 2HB MET 7 1HB MET 7 0.166 -4.603 -0.117 36 1HG MET 7 2HG MET 7 -1.655 -2.987 -0.040 37 2HG MET 7 1HG MET 7 -0.503 -1.701 0.331 38 1HE MET 7 1HE MET 7 -2.601 -1.548 -2.061 39 2HE MET 7 2HE MET 7 -1.593 -0.889 -3.351 40 3HE MET 7 3HE MET 7 -1.444 -0.265 -1.708 41 H GLY 8 H GLY 8 2.272 -3.243 3.064 42 1HA GLY 8 2HA GLY 8 1.820 -0.458 3.347 43 2HA GLY 8 1HA GLY 8 1.424 -1.284 4.846 44 H PHE 9 H PHE 9 3.999 -0.630 2.534 45 HA PHE 9 HA PHE 9 5.919 -0.909 4.703 46 1HB PHE 9 2HB PHE 9 7.475 -1.890 2.833 47 2HB PHE 9 1HB PHE 9 6.381 -2.925 3.744 48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753 49 HD2 PHE 9 2HD PHE 9 5.558 -4.577 2.464 50 HE1 PHE 9 1HE PHE 9 4.923 -1.526 -1.333 51 HE2 PHE 9 2HE PHE 9 4.531 -5.404 0.387 52 HZ PHE 9 HZ PHE 9 4.214 -3.875 -1.517 53 H GLY 10 H GLY 10 8.223 -0.355 3.449 54 1HA GLY 10 2HA GLY 10 8.031 2.447 3.143 55 2HA GLY 10 1HA GLY 10 9.485 1.495 2.942 56 H LEU 11 H LEU 11 7.954 -0.088 0.800 57 HA LEU 11 HA LEU 11 9.009 1.174 -1.425 58 1HB LEU 11 2HB LEU 11 8.243 -1.185 -1.335 59 2HB LEU 11 1HB LEU 11 6.586 -0.615 -1.366 60 1HD1 LEU 11 1HD2 LEU 11 7.967 -2.028 -4.632 61 2HD1 LEU 11 2HD2 LEU 11 6.350 -2.044 -3.929 62 3HD1 LEU 11 3HD2 LEU 11 7.734 -2.571 -2.971 63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.004 -4.668 64 2HD2 LEU 11 2HD1 LEU 11 7.025 1.390 -4.160 65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.711 -3.079 66 H PHE 12 H PHE 12 5.951 1.651 0.162 67 HA PHE 12 HA PHE 12 5.520 4.044 -1.449 68 1HB PHE 12 2HB PHE 12 3.125 3.499 -1.776 69 2HB PHE 12 1HB PHE 12 4.199 2.377 -2.609 70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.742 71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.526 72 HE1 PHE 12 1HE PHE 12 1.424 0.782 1.830 73 HE2 PHE 12 2HE PHE 12 2.499 -1.727 -1.442 74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.739 75 H ASP 13 H ASP 13 6.133 3.123 1.446 76 HA ASP 13 HA ASP 13 4.109 3.659 3.205 77 1HB ASP 13 2HB ASP 13 5.825 4.376 4.803 78 2HB ASP 13 1HB ASP 13 6.361 2.958 3.902 Start of MODEL 17 1 1H GLU 1 1HT GLU 1 -5.301 9.282 -2.788 2 2H GLU 1 2HT GLU 1 -4.717 8.678 -1.292 3 3H GLU 1 3HT GLU 1 -6.392 8.604 -1.654 4 HA GLU 1 HA GLU 1 -5.744 7.212 -3.610 5 1HB GLU 1 2HB GLU 1 -3.236 7.041 -1.925 6 2HB GLU 1 1HB GLU 1 -3.592 6.032 -3.319 7 1HG GLU 1 2HG GLU 1 -3.242 9.020 -3.364 8 2HG GLU 1 1HG GLU 1 -2.037 7.834 -3.858 9 H GLU 2 H GLU 2 -5.686 4.815 -3.273 10 HA GLU 2 HA GLU 2 -6.447 4.044 -0.545 11 1HB GLU 2 2HB GLU 2 -7.965 3.296 -3.052 12 2HB GLU 2 1HB GLU 2 -8.281 2.654 -1.448 13 1HG GLU 2 2HG GLU 2 -9.899 4.321 -1.856 14 2HG GLU 2 1HG GLU 2 -8.754 4.994 -0.700 15 H ALA 3 H ALA 3 -6.638 1.561 -0.418 16 HA ALA 3 HA ALA 3 -5.244 -0.079 -2.229 17 1HB ALA 3 1HB ALA 3 -3.618 1.254 -0.136 18 2HB ALA 3 2HB ALA 3 -3.173 0.739 -1.764 19 3HB ALA 3 3HB ALA 3 -3.291 -0.448 -0.465 20 H ASP 4 H ASP 4 -7.300 -1.086 -1.566 21 HA ASP 4 HA ASP 4 -7.835 -2.020 1.009 22 1HB ASP 4 2HB ASP 4 -9.508 -2.019 -0.784 23 2HB ASP 4 1HB ASP 4 -8.603 -3.260 -1.645 24 H ASP 5 H ASP 5 -5.714 -3.244 -1.470 25 HA ASP 5 HA ASP 5 -5.378 -5.874 -0.579 26 1HB ASP 5 2HB ASP 5 -4.537 -5.065 -2.744 27 2HB ASP 5 1HB ASP 5 -3.355 -4.059 -1.913 28 H ASP 6 H ASP 6 -4.194 -6.802 1.012 29 HA ASP 6 HA ASP 6 -3.393 -5.287 3.230 30 1HB ASP 6 2HB ASP 6 -2.703 -8.132 2.469 31 2HB ASP 6 1HB ASP 6 -2.482 -7.423 4.060 32 H MET 7 H MET 7 -1.958 -3.710 2.286 33 HA MET 7 HA MET 7 0.799 -4.668 2.232 34 1HB MET 7 2HB MET 7 1.324 -3.327 0.233 35 2HB MET 7 1HB MET 7 0.167 -4.604 -0.116 36 1HG MET 7 2HG MET 7 -1.655 -2.989 -0.042 37 2HG MET 7 1HG MET 7 -0.503 -1.703 0.329 38 1HE MET 7 1HE MET 7 -2.599 -1.540 -2.038 39 2HE MET 7 2HE MET 7 -1.611 -0.912 -3.357 40 3HE MET 7 3HE MET 7 -1.429 -0.256 -1.730 41 H GLY 8 H GLY 8 2.271 -3.242 3.064 42 1HA GLY 8 2HA GLY 8 1.819 -0.456 3.346 43 2HA GLY 8 1HA GLY 8 1.422 -1.282 4.845 44 H PHE 9 H PHE 9 3.999 -0.630 2.533 45 HA PHE 9 HA PHE 9 5.918 -0.907 4.703 46 1HB PHE 9 2HB PHE 9 7.475 -1.888 2.834 47 2HB PHE 9 1HB PHE 9 6.379 -2.923 3.745 48 HD1 PHE 9 1HD PHE 9 5.951 -0.709 0.753 49 HD2 PHE 9 2HD PHE 9 5.558 -4.575 2.467 50 HE1 PHE 9 1HE PHE 9 4.924 -1.527 -1.333 51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.389 52 HZ PHE 9 HZ PHE 9 4.214 -3.876 -1.515 53 H GLY 10 H GLY 10 8.221 -0.353 3.449 54 1HA GLY 10 2HA GLY 10 8.030 2.448 3.142 55 2HA GLY 10 1HA GLY 10 9.484 1.497 2.942 56 H LEU 11 H LEU 11 7.953 -0.088 0.801 57 HA LEU 11 HA LEU 11 9.009 1.173 -1.425 58 1HB LEU 11 2HB LEU 11 8.243 -1.186 -1.334 59 2HB LEU 11 1HB LEU 11 6.586 -0.616 -1.365 60 1HD1 LEU 11 1HD2 LEU 11 7.937 -2.019 -4.650 61 2HD1 LEU 11 2HD2 LEU 11 6.346 -2.058 -3.891 62 3HD1 LEU 11 3HD2 LEU 11 7.769 -2.572 -2.984 63 1HD2 LEU 11 1HD1 LEU 11 6.075 -0.007 -4.669 64 2HD2 LEU 11 2HD1 LEU 11 7.026 1.388 -4.160 65 3HD2 LEU 11 3HD1 LEU 11 5.808 0.709 -3.080 66 H PHE 12 H PHE 12 5.950 1.650 0.160 67 HA PHE 12 HA PHE 12 5.520 4.043 -1.452 68 1HB PHE 12 2HB PHE 12 3.124 3.497 -1.780 69 2HB PHE 12 1HB PHE 12 4.200 2.375 -2.612 70 HD1 PHE 12 1HD PHE 12 2.543 2.677 0.739 71 HD2 PHE 12 2HD PHE 12 3.622 0.170 -2.528 72 HE1 PHE 12 1HE PHE 12 1.423 0.782 1.829 73 HE2 PHE 12 2HE PHE 12 2.498 -1.729 -1.443 74 HZ PHE 12 HZ PHE 12 1.398 -1.423 0.738 75 H ASP 13 H ASP 13 6.133 3.124 1.444 76 HA ASP 13 HA ASP 13 4.108 3.660 3.203 77 1HB ASP 13 2HB ASP 13 5.823 4.379 4.799 78 2HB ASP 13 1HB ASP 13 6.359 2.961 3.900 Start of MODEL 18 1 1H GLU 1 1HT GLU 1 -5.296 9.281 -2.776 2 2H GLU 1 2HT GLU 1 -4.695 8.675 -1.287 3 3H GLU 1 3HT GLU 1 -6.374 8.599 -1.632 4 HA GLU 1 HA GLU 1 -5.736 7.216 -3.600 5 1HB GLU 1 2HB GLU 1 -3.224 7.034 -1.920 6 2HB GLU 1 1HB GLU 1 -3.586 6.028 -3.317 7 1HG GLU 1 2HG GLU 1 -3.229 9.017 -3.355 8 2HG GLU 1 1HG GLU 1 -2.027 7.829 -3.854 9 H GLU 2 H GLU 2 -5.688 4.818 -3.271 10 HA GLU 2 HA GLU 2 -6.447 4.044 -0.544 11 1HB GLU 2 2HB GLU 2 -7.961 3.300 -3.054 12 2HB GLU 2 1HB GLU 2 -8.282 2.654 -1.451 13 1HG GLU 2 2HG GLU 2 -9.898 4.324 -1.860 14 2HG GLU 2 1HG GLU 2 -8.753 4.994 -0.701 15 H ALA 3 H ALA 3 -6.638 1.560 -0.417 16 HA ALA 3 HA ALA 3 -5.244 -0.079 -2.229 17 1HB ALA 3 1HB ALA 3 -3.291 -0.449 -0.466 18 2HB ALA 3 2HB ALA 3 -3.617 1.253 -0.138 19 3HB ALA 3 3HB ALA 3 -3.172 0.738 -1.765 20 H ASP 4 H ASP 4 -7.300 -1.086 -1.567 21 HA ASP 4 HA ASP 4 -7.834 -2.021 1.009 22 1HB ASP 4 2HB ASP 4 -9.509 -2.019 -0.783 23 2HB ASP 4 1HB ASP 4 -8.602 -3.259 -1.645 24 H ASP 5 H ASP 5 -5.714 -3.243 -1.470 25 HA ASP 5 HA ASP 5 -5.378 -5.874 -0.580 26 1HB ASP 5 2HB ASP 5 -4.537 -5.064 -2.743 27 2HB ASP 5 1HB ASP 5 -3.354 -4.059 -1.913 28 H ASP 6 H ASP 6 -4.193 -6.802 1.012 29 HA ASP 6 HA ASP 6 -3.393 -5.288 3.230 30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.469 31 2HB ASP 6 1HB ASP 6 -2.482 -7.424 4.059 32 H MET 7 H MET 7 -1.958 -3.710 2.287 33 HA MET 7 HA MET 7 0.800 -4.669 2.232 34 1HB MET 7 2HB MET 7 1.324 -3.327 0.233 35 2HB MET 7 1HB MET 7 0.166 -4.604 -0.117 36 1HG MET 7 2HG MET 7 -1.655 -2.989 -0.041 37 2HG MET 7 1HG MET 7 -0.503 -1.703 0.330 38 1HE MET 7 1HE MET 7 -1.406 -0.243 -1.762 39 2HE MET 7 2HE MET 7 -2.593 -1.526 -2.000 40 3HE MET 7 3HE MET 7 -1.638 -0.943 -3.364 41 H GLY 8 H GLY 8 2.271 -3.242 3.065 42 1HA GLY 8 2HA GLY 8 1.818 -0.456 3.345 43 2HA GLY 8 1HA GLY 8 1.422 -1.282 4.845 44 H PHE 9 H PHE 9 3.998 -0.629 2.533 45 HA PHE 9 HA PHE 9 5.917 -0.906 4.703 46 1HB PHE 9 2HB PHE 9 7.475 -1.888 2.835 47 2HB PHE 9 1HB PHE 9 6.379 -2.922 3.746 48 HD1 PHE 9 1HD PHE 9 5.951 -0.709 0.754 49 HD2 PHE 9 2HD PHE 9 5.558 -4.576 2.468 50 HE1 PHE 9 1HE PHE 9 4.924 -1.528 -1.332 51 HE2 PHE 9 2HE PHE 9 4.531 -5.405 0.390 52 HZ PHE 9 HZ PHE 9 4.215 -3.877 -1.514 53 H GLY 10 H GLY 10 8.221 -0.352 3.449 54 1HA GLY 10 2HA GLY 10 8.029 2.450 3.142 55 2HA GLY 10 1HA GLY 10 9.484 1.498 2.941 56 H LEU 11 H LEU 11 7.953 -0.088 0.801 57 HA LEU 11 HA LEU 11 9.009 1.173 -1.425 58 1HB LEU 11 2HB LEU 11 8.244 -1.186 -1.333 59 2HB LEU 11 1HB LEU 11 6.587 -0.617 -1.364 60 1HD1 LEU 11 1HD2 LEU 11 7.709 -1.951 -4.757 61 2HD1 LEU 11 2HD2 LEU 11 6.356 -2.147 -3.643 62 3HD1 LEU 11 3HD2 LEU 11 7.991 -2.555 -3.124 63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.008 -4.669 64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.386 -4.160 65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.708 -3.080 66 H PHE 12 H PHE 12 5.950 1.650 0.160 67 HA PHE 12 HA PHE 12 5.519 4.042 -1.452 68 1HB PHE 12 2HB PHE 12 3.125 3.496 -1.781 69 2HB PHE 12 1HB PHE 12 4.199 2.374 -2.612 70 HD1 PHE 12 1HD PHE 12 2.543 2.677 0.738 71 HD2 PHE 12 2HD PHE 12 3.623 0.169 -2.527 72 HE1 PHE 12 1HE PHE 12 1.423 0.783 1.827 73 HE2 PHE 12 2HE PHE 12 2.499 -1.729 -1.443 74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.738 75 H ASP 13 H ASP 13 6.132 3.123 1.443 76 HA ASP 13 HA ASP 13 4.106 3.661 3.202 77 1HB ASP 13 2HB ASP 13 5.823 4.379 4.799 78 2HB ASP 13 1HB ASP 13 6.358 2.961 3.899 Start of MODEL 19 1 1H GLU 1 1HT GLU 1 -4.038 8.961 -2.123 2 2H GLU 1 2HT GLU 1 -3.218 7.803 -1.158 3 3H GLU 1 3HT GLU 1 -4.835 8.244 -0.786 4 HA GLU 1 HA GLU 1 -5.421 7.412 -3.049 5 1HB GLU 1 2HB GLU 1 -2.694 6.153 -2.672 6 2HB GLU 1 1HB GLU 1 -3.838 5.737 -3.941 7 1HG GLU 1 2HG GLU 1 -2.541 8.427 -3.565 8 2HG GLU 1 1HG GLU 1 -2.063 7.209 -4.744 9 H GLU 2 H GLU 2 -6.026 5.062 -3.238 10 HA GLU 2 HA GLU 2 -6.505 4.000 -0.548 11 1HB GLU 2 2HB GLU 2 -7.885 3.362 -3.163 12 2HB GLU 2 1HB GLU 2 -8.298 2.664 -1.604 13 1HG GLU 2 2HG GLU 2 -9.874 4.364 -2.041 14 2HG GLU 2 1HG GLU 2 -8.791 4.981 -0.798 15 H ALA 3 H ALA 3 -6.640 1.557 -0.427 16 HA ALA 3 HA ALA 3 -5.243 -0.084 -2.234 17 1HB ALA 3 1HB ALA 3 -3.292 -0.451 -0.470 18 2HB ALA 3 2HB ALA 3 -3.620 1.251 -0.142 19 3HB ALA 3 3HB ALA 3 -3.172 0.735 -1.769 20 H ASP 4 H ASP 4 -7.300 -1.091 -1.572 21 HA ASP 4 HA ASP 4 -7.835 -2.023 1.003 22 1HB ASP 4 2HB ASP 4 -9.509 -2.024 -0.790 23 2HB ASP 4 1HB ASP 4 -8.602 -3.265 -1.649 24 H ASP 5 H ASP 5 -5.713 -3.248 -1.472 25 HA ASP 5 HA ASP 5 -5.378 -5.878 -0.578 26 1HB ASP 5 2HB ASP 5 -4.536 -5.071 -2.742 27 2HB ASP 5 1HB ASP 5 -3.354 -4.064 -1.913 28 H ASP 6 H ASP 6 -4.194 -6.803 1.015 29 HA ASP 6 HA ASP 6 -3.395 -5.287 3.231 30 1HB ASP 6 2HB ASP 6 -2.703 -8.131 2.474 31 2HB ASP 6 1HB ASP 6 -2.483 -7.420 4.065 32 H MET 7 H MET 7 -1.960 -3.710 2.287 33 HA MET 7 HA MET 7 0.798 -4.667 2.234 34 1HB MET 7 2HB MET 7 1.323 -3.329 0.234 35 2HB MET 7 1HB MET 7 0.166 -4.605 -0.114 36 1HG MET 7 2HG MET 7 -1.656 -2.990 -0.041 37 2HG MET 7 1HG MET 7 -0.504 -1.704 0.329 38 1HE MET 7 1HE MET 7 -2.595 -1.535 -2.015 39 2HE MET 7 2HE MET 7 -1.629 -0.938 -3.365 40 3HE MET 7 3HE MET 7 -1.414 -0.252 -1.754 41 H GLY 8 H GLY 8 2.268 -3.240 3.066 42 1HA GLY 8 2HA GLY 8 1.816 -0.454 3.344 43 2HA GLY 8 1HA GLY 8 1.419 -1.278 4.844 44 H PHE 9 H PHE 9 3.996 -0.628 2.533 45 HA PHE 9 HA PHE 9 5.914 -0.902 4.703 46 1HB PHE 9 2HB PHE 9 7.473 -1.885 2.837 47 2HB PHE 9 1HB PHE 9 6.376 -2.919 3.748 48 HD1 PHE 9 1HD PHE 9 5.950 -0.709 0.754 49 HD2 PHE 9 2HD PHE 9 5.557 -4.574 2.471 50 HE1 PHE 9 1HE PHE 9 4.923 -1.530 -1.331 51 HE2 PHE 9 2HE PHE 9 4.531 -5.406 0.394 52 HZ PHE 9 HZ PHE 9 4.214 -3.879 -1.512 53 H GLY 10 H GLY 10 8.219 -0.349 3.450 54 1HA GLY 10 2HA GLY 10 8.026 2.453 3.140 55 2HA GLY 10 1HA GLY 10 9.481 1.500 2.941 56 H LEU 11 H LEU 11 7.952 -0.087 0.802 57 HA LEU 11 HA LEU 11 9.008 1.172 -1.425 58 1HB LEU 11 2HB LEU 11 8.243 -1.188 -1.331 59 2HB LEU 11 1HB LEU 11 6.586 -0.618 -1.364 60 1HD1 LEU 11 1HD2 LEU 11 7.784 -1.976 -4.728 61 2HD1 LEU 11 2HD2 LEU 11 6.346 -2.122 -3.717 62 3HD1 LEU 11 3HD2 LEU 11 7.926 -2.566 -3.072 63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.014 -4.669 64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.382 -4.162 65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.705 -3.081 66 H PHE 12 H PHE 12 5.948 1.650 0.159 67 HA PHE 12 HA PHE 12 5.518 4.040 -1.457 68 1HB PHE 12 2HB PHE 12 3.124 3.493 -1.785 69 2HB PHE 12 1HB PHE 12 4.199 2.371 -2.616 70 HD1 PHE 12 1HD PHE 12 2.540 2.676 0.733 71 HD2 PHE 12 2HD PHE 12 3.622 0.166 -2.530 72 HE1 PHE 12 1HE PHE 12 1.421 0.783 1.824 73 HE2 PHE 12 2HE PHE 12 2.499 -1.731 -1.442 74 HZ PHE 12 HZ PHE 12 1.398 -1.423 0.737 75 H ASP 13 H ASP 13 6.130 3.125 1.440 76 HA ASP 13 HA ASP 13 4.104 3.663 3.196 77 1HB ASP 13 2HB ASP 13 5.819 4.384 4.794 78 2HB ASP 13 1HB ASP 13 6.355 2.964 3.896 Start of MODEL 20 1 1H GLU 1 1HT GLU 1 -4.951 9.243 -2.724 2 2H GLU 1 2HT GLU 1 -4.115 8.352 -1.518 3 3H GLU 1 3HT GLU 1 -5.803 8.629 -1.369 4 HA GLU 1 HA GLU 1 -6.024 7.415 -3.529 5 1HB GLU 1 2HB GLU 1 -3.249 6.566 -2.668 6 2HB GLU 1 1HB GLU 1 -4.178 5.830 -3.966 7 1HG GLU 1 2HG GLU 1 -3.223 8.683 -3.894 8 2HG GLU 1 1HG GLU 1 -2.479 7.370 -4.804 9 H GLU 2 H GLU 2 -5.758 4.786 -3.317 10 HA GLU 2 HA GLU 2 -6.409 4.072 -0.544 11 1HB GLU 2 2HB GLU 2 -8.009 3.258 -2.978 12 2HB GLU 2 1HB GLU 2 -8.266 2.650 -1.349 13 1HG GLU 2 2HG GLU 2 -9.907 4.299 -1.738 14 2HG GLU 2 1HG GLU 2 -8.726 5.005 -0.638 15 H ALA 3 H ALA 3 -6.636 1.563 -0.412 16 HA ALA 3 HA ALA 3 -5.244 -0.075 -2.225 17 1HB ALA 3 1HB ALA 3 -3.291 -0.447 -0.463 18 2HB ALA 3 2HB ALA 3 -3.615 1.254 -0.133 19 3HB ALA 3 3HB ALA 3 -3.172 0.741 -1.762 20 H ASP 4 H ASP 4 -7.299 -1.082 -1.563 21 HA ASP 4 HA ASP 4 -7.833 -2.019 1.012 22 1HB ASP 4 2HB ASP 4 -9.508 -2.016 -0.779 23 2HB ASP 4 1HB ASP 4 -8.603 -3.255 -1.641 24 H ASP 5 H ASP 5 -5.713 -3.240 -1.469 25 HA ASP 5 HA ASP 5 -5.379 -5.872 -0.580 26 1HB ASP 5 2HB ASP 5 -4.538 -5.060 -2.744 27 2HB ASP 5 1HB ASP 5 -3.355 -4.056 -1.913 28 H ASP 6 H ASP 6 -4.193 -6.801 1.010 29 HA ASP 6 HA ASP 6 -3.392 -5.290 3.229 30 1HB ASP 6 2HB ASP 6 -2.702 -8.132 2.465 31 2HB ASP 6 1HB ASP 6 -2.481 -7.425 4.056 32 H MET 7 H MET 7 -1.958 -3.711 2.286 33 HA MET 7 HA MET 7 0.801 -4.669 2.230 34 1HB MET 7 2HB MET 7 1.324 -3.327 0.232 35 2HB MET 7 1HB MET 7 0.166 -4.604 -0.118 36 1HG MET 7 2HG MET 7 -1.654 -2.987 -0.041 37 2HG MET 7 1HG MET 7 -0.502 -1.703 0.330 38 1HE MET 7 1HE MET 7 -1.621 -0.920 -3.359 39 2HE MET 7 2HE MET 7 -1.420 -0.251 -1.739 40 3HE MET 7 3HE MET 7 -2.597 -1.533 -2.023 41 H GLY 8 H GLY 8 2.272 -3.244 3.063 42 1HA GLY 8 2HA GLY 8 1.819 -0.458 3.346 43 2HA GLY 8 1HA GLY 8 1.424 -1.284 4.845 44 H PHE 9 H PHE 9 4.000 -0.631 2.534 45 HA PHE 9 HA PHE 9 5.919 -0.910 4.702 46 1HB PHE 9 2HB PHE 9 7.476 -1.890 2.833 47 2HB PHE 9 1HB PHE 9 6.380 -2.925 3.743 48 HD1 PHE 9 1HD PHE 9 5.952 -0.709 0.753 49 HD2 PHE 9 2HD PHE 9 5.559 -4.577 2.465 50 HE1 PHE 9 1HE PHE 9 4.925 -1.527 -1.332 51 HE2 PHE 9 2HE PHE 9 4.532 -5.406 0.386 52 HZ PHE 9 HZ PHE 9 4.215 -3.876 -1.517 53 H GLY 10 H GLY 10 8.222 -0.355 3.449 54 1HA GLY 10 2HA GLY 10 8.031 2.448 3.143 55 2HA GLY 10 1HA GLY 10 9.485 1.495 2.942 56 H LEU 11 H LEU 11 7.955 -0.088 0.800 57 HA LEU 11 HA LEU 11 9.010 1.174 -1.425 58 1HB LEU 11 2HB LEU 11 8.244 -1.185 -1.334 59 2HB LEU 11 1HB LEU 11 6.587 -0.616 -1.365 60 1HD1 LEU 11 1HD2 LEU 11 7.967 -2.028 -4.633 61 2HD1 LEU 11 2HD2 LEU 11 6.351 -2.045 -3.926 62 3HD1 LEU 11 3HD2 LEU 11 7.736 -2.571 -2.970 63 1HD2 LEU 11 1HD1 LEU 11 6.077 -0.005 -4.669 64 2HD2 LEU 11 2HD1 LEU 11 7.027 1.389 -4.159 65 3HD2 LEU 11 3HD1 LEU 11 5.809 0.711 -3.079 66 H PHE 12 H PHE 12 5.952 1.651 0.162 67 HA PHE 12 HA PHE 12 5.520 4.043 -1.449 68 1HB PHE 12 2HB PHE 12 3.125 3.497 -1.777 69 2HB PHE 12 1HB PHE 12 4.200 2.376 -2.609 70 HD1 PHE 12 1HD PHE 12 2.544 2.677 0.741 71 HD2 PHE 12 2HD PHE 12 3.622 0.172 -2.527 72 HE1 PHE 12 1HE PHE 12 1.425 0.781 1.830 73 HE2 PHE 12 2HE PHE 12 2.499 -1.728 -1.443 74 HZ PHE 12 HZ PHE 12 1.399 -1.423 0.737 75 H ASP 13 H ASP 13 6.134 3.122 1.446 76 HA ASP 13 HA ASP 13 4.109 3.658 3.205 77 1HB ASP 13 2HB ASP 13 5.825 4.376 4.802 78 2HB ASP 13 1HB ASP 13 6.360 2.958 3.902
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