NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586270 | 2mlj | 19823 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 H SER 1 2.121 -0.499 0.093 2 HA SER 1 HA SER 1 1.676 -0.332 -2.781 3 HB2 SER 1 HB2 SER 1 3.987 0.543 -3.320 4 HB3 SER 1 HB3 SER 1 2.939 1.768 -2.544 5 HG SER 1 HG SER 1 5.100 1.614 -1.508 6 H ILE 2 H ILE 2 4.674 -0.930 -0.772 7 HA ILE 2 HA ILE 2 4.400 -3.848 -1.400 8 HB ILE 2 HB ILE 2 6.885 -3.867 -1.943 9 HG12 ILE 2 HG12 ILE 2 7.973 -1.809 -2.777 10 HG13 ILE 2 HG13 ILE 2 6.564 -0.817 -2.350 11 HG21 ILE 2 HG21 ILE 2 5.117 -2.283 -3.894 12 HG22 ILE 2 HG22 ILE 2 6.591 -3.195 -4.314 13 HG23 ILE 2 HG23 ILE 2 5.152 -4.061 -3.727 14 HD11 ILE 2 HD11 ILE 2 8.461 -0.591 -0.714 15 HD12 ILE 2 HD12 ILE 2 7.013 -1.226 0.089 16 HD13 ILE 2 HD13 ILE 2 8.357 -2.331 -0.338 17 H GLY 3 H GLY 3 3.713 -2.364 1.029 18 HA2 GLY 3 HA3 GLY 3 5.923 -3.349 2.812 19 HA3 GLY 3 HA2 GLY 3 4.758 -2.065 3.185 20 H ASP 4 H ASP 4 5.061 -4.309 4.846 21 HA ASP 4 HA ASP 4 2.394 -5.527 4.542 22 HB2 ASP 4 HB2 ASP 4 4.909 -6.796 4.770 23 HB3 ASP 4 HB3 ASP 4 4.080 -7.049 6.303 24 H SER 5 H SER 5 3.601 -3.092 6.037 25 HA SER 5 HA SER 5 3.429 -3.539 8.794 26 HB2 SER 5 HB2 SER 5 4.294 -1.465 7.530 27 HB3 SER 5 HB3 SER 5 2.610 -0.943 7.500 28 HG SER 5 HG SER 5 3.412 -0.089 9.338 29 H GLY 6 H GLY 6 1.624 -1.894 9.927 30 HA2 GLY 6 HA3 GLY 6 -0.899 -3.281 9.348 31 HA3 GLY 6 HA2 GLY 6 -0.490 -2.478 10.857 32 H LEU 7 H LEU 7 0.392 -0.377 8.198 33 HA LEU 7 HA LEU 7 -2.193 1.123 8.578 34 HB2 LEU 7 HB2 LEU 7 0.562 2.087 7.641 35 HB3 LEU 7 HB3 LEU 7 -0.964 2.979 7.442 36 HG LEU 7 HG LEU 7 -1.316 2.938 9.955 37 HD11 LEU 7 HD11 LEU 7 0.150 1.004 10.591 38 HD12 LEU 7 HD12 LEU 7 0.687 2.482 11.418 39 HD13 LEU 7 HD13 LEU 7 1.587 1.885 9.995 40 HD21 LEU 7 HD21 LEU 7 0.335 4.762 10.409 41 HD22 LEU 7 HD22 LEU 7 -0.401 4.950 8.799 42 HD23 LEU 7 HD23 LEU 7 1.257 4.298 8.948 43 H ARG 8 H ARG 8 -3.642 0.711 6.774 44 HA ARG 8 HA ARG 8 -2.521 -0.706 4.531 45 HB2 ARG 8 HB2 ARG 8 -5.282 0.611 4.784 46 HB3 ARG 8 HB3 ARG 8 -4.693 -0.227 3.332 47 HG2 ARG 8 HG2 ARG 8 -6.059 -1.798 4.500 48 HG3 ARG 8 HG3 ARG 8 -4.389 -2.360 4.660 49 HD2 ARG 8 HD2 ARG 8 -4.267 -1.570 6.970 50 HD3 ARG 8 HD3 ARG 8 -5.822 -0.758 6.901 51 HE ARG 8 HE ARG 8 -5.252 -3.612 7.305 52 HH11 ARG 8 HH11 ARG 8 -7.807 -1.373 6.057 53 HH12 ARG 8 HH12 ARG 8 -9.065 -2.560 6.357 54 HH21 ARG 8 HH21 ARG 8 -6.939 -5.040 7.625 55 HH22 ARG 8 HH22 ARG 8 -8.595 -4.584 7.222 56 H GLU 9 H GLU 9 -2.235 0.243 2.260 57 HA GLU 9 HA GLU 9 -1.161 2.915 2.475 58 HB2 GLU 9 HB2 GLU 9 -1.821 1.389 -0.111 59 HB3 GLU 9 HB3 GLU 9 -0.940 2.933 0.015 60 HG2 GLU 9 HG2 GLU 9 0.879 1.765 1.348 61 HG3 GLU 9 HG3 GLU 9 -0.014 0.243 1.172 62 H SER 10 H SER 10 -4.143 1.393 1.025 63 HA SER 10 HA SER 10 -5.358 4.130 0.875 64 HB2 SER 10 HB2 SER 10 -6.383 3.442 -1.303 65 HB3 SER 10 HB3 SER 10 -4.607 3.502 -1.412 66 HG SER 10 HG SER 10 -4.659 1.154 -1.268 67 H MET 11 H MET 11 -7.819 3.933 0.607 68 HA MET 11 HA MET 11 -8.673 2.412 2.907 69 HB2 MET 11 HB2 MET 11 -10.304 3.847 0.748 70 HB3 MET 11 HB3 MET 11 -10.991 3.222 2.264 71 HG2 MET 11 HG2 MET 11 -8.744 5.364 2.280 72 HG3 MET 11 HG3 MET 11 -10.474 5.747 2.185 73 HE1 MET 11 HE1 MET 11 -8.453 3.200 5.139 74 HE2 MET 11 HE2 MET 11 -7.554 4.519 4.309 75 HE3 MET 11 HE3 MET 11 -8.203 4.764 5.960 76 H SER 12 H SER 12 -8.929 1.872 -0.693 77 HA SER 12 HA SER 12 -10.852 -0.284 -0.235 78 HB2 SER 12 HB2 SER 12 -10.965 1.201 -2.221 79 HB3 SER 12 HB3 SER 12 -9.436 0.520 -2.838 80 HG SER 12 HG SER 12 -10.606 -1.575 -2.864 81 H SER 13 H SER 13 -7.368 -0.173 -1.485 82 HA SER 13 HA SER 13 -7.421 -3.029 -1.874 83 HB2 SER 13 HB2 SER 13 -5.905 -1.480 -3.148 84 HB3 SER 13 HB3 SER 13 -4.967 -1.221 -1.642 85 HG SER 13 HG SER 13 -4.083 -3.002 -2.966 86 H GLN 14 H GLN 14 -5.416 -4.373 -0.860 87 HA GLN 14 HA GLN 14 -5.420 -3.903 2.112 88 HB2 GLN 14 HB2 GLN 14 -5.450 -6.309 2.442 89 HB3 GLN 14 HB3 GLN 14 -6.944 -5.780 1.638 90 HG2 GLN 14 HG2 GLN 14 -4.601 -6.977 0.020 91 HG3 GLN 14 HG3 GLN 14 -5.830 -7.978 0.826 92 HE21 GLN 14 HE21 GLN 14 -6.120 -8.755 -1.505 93 HE22 GLN 14 HE22 GLN 14 -7.245 -7.865 -2.460 94 H THR 15 H THR 15 -3.514 -2.626 0.667 95 HA THR 15 HA THR 15 -1.111 -4.365 1.199 96 HB THR 15 HB THR 15 -1.335 -3.992 -1.217 97 HG1 THR 15 HG1 THR 15 0.874 -3.134 -1.338 98 HG21 THR 15 HG21 THR 15 -2.524 -1.762 -1.299 99 HG22 THR 15 HG22 THR 15 -0.980 -1.665 -2.174 100 HG23 THR 15 HG23 THR 15 -1.120 -0.987 -0.536 101 H TYR 16 H TYR 16 0.897 -2.793 1.718 102 HA TYR 16 HA TYR 16 -0.154 -0.624 3.514 103 HB2 TYR 16 HB2 TYR 16 1.780 -2.832 4.379 104 HB3 TYR 16 HB3 TYR 16 1.108 -1.561 5.405 105 HD1 TYR 16 HD2 TYR 16 0.260 -4.617 3.353 106 HD2 TYR 16 HD1 TYR 16 -1.096 -1.957 6.445 107 HE1 TYR 16 HE2 TYR 16 -1.638 -6.118 3.827 108 HE2 TYR 16 HE1 TYR 16 -2.818 -3.574 7.084 109 HH TYR 16 HH TYR 16 -3.807 -5.713 6.618 110 H TRP 17 H TRP 17 1.636 0.847 4.319 111 HA TRP 17 HA TRP 17 3.604 1.207 2.161 112 HB2 TRP 17 HB2 TRP 17 3.108 2.757 4.771 113 HB3 TRP 17 HB3 TRP 17 4.355 3.214 3.603 114 HD1 TRP 17 HD1 TRP 17 0.875 4.027 4.341 115 HE1 TRP 17 HE1 TRP 17 -0.217 5.223 2.413 116 HE3 TRP 17 HE3 TRP 17 4.351 3.043 0.602 117 HZ2 TRP 17 HZ2 TRP 17 0.138 5.626 -0.263 118 HZ3 TRP 17 HZ3 TRP 17 3.875 3.971 -1.664 119 HH2 TRP 17 HH2 TRP 17 1.767 5.182 -2.112 120 HA PRO 18 HA PRO 18 6.634 -1.117 4.633 121 HB2 PRO 18 HB2 PRO 18 9.034 -0.264 3.601 122 HB3 PRO 18 HB3 PRO 18 7.835 -1.061 2.534 123 HG2 PRO 18 HG2 PRO 18 8.174 1.958 2.938 124 HG3 PRO 18 HG3 PRO 18 8.286 1.090 1.377 125 HD2 PRO 18 HD2 PRO 18 5.945 2.243 2.180 126 HD3 PRO 18 HD3 PRO 18 5.867 0.615 1.403 Start of MODEL 2 1 H1 SER 1 H SER 1 2.308 -0.322 0.124 2 HA SER 1 HA SER 1 1.793 -0.040 -2.754 3 HB2 SER 1 HB2 SER 1 4.049 0.940 -3.272 4 HB3 SER 1 HB3 SER 1 3.008 2.086 -2.373 5 HG SER 1 HG SER 1 5.196 1.887 -1.425 6 H ILE 2 H ILE 2 4.813 -0.695 -0.802 7 HA ILE 2 HA ILE 2 4.589 -3.569 -1.619 8 HB ILE 2 HB ILE 2 7.071 -3.508 -2.196 9 HG12 ILE 2 HG12 ILE 2 8.088 -1.376 -2.949 10 HG13 ILE 2 HG13 ILE 2 6.660 -0.449 -2.437 11 HG21 ILE 2 HG21 ILE 2 5.310 -3.658 -3.954 12 HG22 ILE 2 HG22 ILE 2 5.231 -1.874 -4.037 13 HG23 ILE 2 HG23 ILE 2 6.719 -2.731 -4.524 14 HD11 ILE 2 HD11 ILE 2 7.178 -0.981 -0.035 15 HD12 ILE 2 HD12 ILE 2 8.546 -2.017 -0.555 16 HD13 ILE 2 HD13 ILE 2 8.587 -0.255 -0.837 17 H GLY 3 H GLY 3 3.887 -2.308 0.893 18 HA2 GLY 3 HA3 GLY 3 6.137 -3.363 2.596 19 HA3 GLY 3 HA2 GLY 3 5.004 -2.073 3.047 20 H ASP 4 H ASP 4 5.314 -4.421 4.586 21 HA ASP 4 HA ASP 4 2.628 -5.593 4.267 22 HB2 ASP 4 HB2 ASP 4 5.096 -6.916 4.297 23 HB3 ASP 4 HB3 ASP 4 4.403 -7.205 5.891 24 H SER 5 H SER 5 3.885 -3.263 5.877 25 HA SER 5 HA SER 5 3.777 -3.870 8.605 26 HB2 SER 5 HB2 SER 5 4.556 -1.702 7.347 27 HB3 SER 5 HB3 SER 5 2.887 -1.190 7.595 28 HG SER 5 HG SER 5 4.932 -1.298 9.365 29 H GLY 6 H GLY 6 2.010 -2.304 9.886 30 HA2 GLY 6 HA3 GLY 6 -0.528 -3.653 9.299 31 HA3 GLY 6 HA2 GLY 6 -0.083 -2.917 10.832 32 H LEU 7 H LEU 7 0.733 -0.733 8.244 33 HA LEU 7 HA LEU 7 -1.791 0.819 8.765 34 HB2 LEU 7 HB2 LEU 7 1.035 1.644 7.917 35 HB3 LEU 7 HB3 LEU 7 -0.376 2.709 7.774 36 HG LEU 7 HG LEU 7 1.034 3.161 9.783 37 HD11 LEU 7 HD11 LEU 7 -1.828 2.327 10.568 38 HD12 LEU 7 HD12 LEU 7 -1.382 3.844 9.736 39 HD13 LEU 7 HD13 LEU 7 -0.781 3.513 11.381 40 HD21 LEU 7 HD21 LEU 7 1.056 1.694 11.737 41 HD22 LEU 7 HD22 LEU 7 1.643 0.755 10.335 42 HD23 LEU 7 HD23 LEU 7 -0.022 0.516 10.953 43 H ARG 8 H ARG 8 -3.223 0.044 7.051 44 HA ARG 8 HA ARG 8 -2.184 -0.887 4.618 45 HB2 ARG 8 HB2 ARG 8 -4.942 0.308 5.189 46 HB3 ARG 8 HB3 ARG 8 -4.483 -0.335 3.591 47 HG2 ARG 8 HG2 ARG 8 -4.031 -2.571 4.510 48 HG3 ARG 8 HG3 ARG 8 -4.344 -1.992 6.168 49 HD2 ARG 8 HD2 ARG 8 -6.422 -1.922 3.912 50 HD3 ARG 8 HD3 ARG 8 -6.324 -3.283 5.007 51 HE ARG 8 HE ARG 8 -7.445 -0.620 5.527 52 HH11 ARG 8 HH11 ARG 8 -5.904 -3.444 7.196 53 HH12 ARG 8 HH12 ARG 8 -6.669 -3.028 8.719 54 HH21 ARG 8 HH21 ARG 8 -8.351 -0.193 7.532 55 HH22 ARG 8 HH22 ARG 8 -8.019 -1.239 8.914 56 H GLU 9 H GLU 9 -2.069 0.190 2.409 57 HA GLU 9 HA GLU 9 -1.007 2.856 2.756 58 HB2 GLU 9 HB2 GLU 9 -1.711 1.512 0.084 59 HB3 GLU 9 HB3 GLU 9 -0.811 3.031 0.318 60 HG2 GLU 9 HG2 GLU 9 1.022 1.760 1.503 61 HG3 GLU 9 HG3 GLU 9 0.111 0.255 1.257 62 H SER 10 H SER 10 -3.961 1.396 1.135 63 HA SER 10 HA SER 10 -5.254 4.106 1.320 64 HB2 SER 10 HB2 SER 10 -6.358 3.497 -0.850 65 HB3 SER 10 HB3 SER 10 -4.571 3.559 -0.999 66 HG SER 10 HG SER 10 -5.456 1.568 -1.928 67 H MET 11 H MET 11 -7.670 3.963 1.369 68 HA MET 11 HA MET 11 -8.406 2.163 3.440 69 HB2 MET 11 HB2 MET 11 -10.665 3.054 3.268 70 HB3 MET 11 HB3 MET 11 -9.494 4.382 3.057 71 HG2 MET 11 HG2 MET 11 -9.877 4.197 0.504 72 HG3 MET 11 HG3 MET 11 -11.160 2.995 0.850 73 HE1 MET 11 HE1 MET 11 -13.096 6.372 -0.064 74 HE2 MET 11 HE2 MET 11 -11.616 5.675 -0.797 75 HE3 MET 11 HE3 MET 11 -13.011 4.613 -0.405 76 H SER 12 H SER 12 -8.765 1.897 -0.167 77 HA SER 12 HA SER 12 -10.718 -0.272 0.168 78 HB2 SER 12 HB2 SER 12 -10.919 1.380 -1.662 79 HB3 SER 12 HB3 SER 12 -9.390 0.782 -2.381 80 HG SER 12 HG SER 12 -11.307 -0.333 -3.262 81 H SER 13 H SER 13 -7.283 -0.020 -1.163 82 HA SER 13 HA SER 13 -7.319 -2.849 -1.780 83 HB2 SER 13 HB2 SER 13 -5.925 -1.183 -3.035 84 HB3 SER 13 HB3 SER 13 -4.892 -0.996 -1.580 85 HG SER 13 HG SER 13 -4.081 -2.683 -3.088 86 H GLN 14 H GLN 14 -5.241 -4.210 -0.967 87 HA GLN 14 HA GLN 14 -5.218 -4.034 2.049 88 HB2 GLN 14 HB2 GLN 14 -5.189 -6.534 0.260 89 HB3 GLN 14 HB3 GLN 14 -5.205 -6.492 2.048 90 HG2 GLN 14 HG2 GLN 14 -7.499 -5.471 1.991 91 HG3 GLN 14 HG3 GLN 14 -7.441 -5.413 0.208 92 HE21 GLN 14 HE21 GLN 14 -9.224 -6.944 -0.198 93 HE22 GLN 14 HE22 GLN 14 -9.097 -8.593 0.283 94 H THR 15 H THR 15 -3.304 -2.555 0.763 95 HA THR 15 HA THR 15 -0.869 -4.310 1.072 96 HB THR 15 HB THR 15 -1.027 -3.759 -1.305 97 HG1 THR 15 HG1 THR 15 1.069 -2.661 -1.318 98 HG21 THR 15 HG21 THR 15 -1.287 -0.839 -0.364 99 HG22 THR 15 HG22 THR 15 -2.457 -1.752 -1.347 100 HG23 THR 15 HG23 THR 15 -0.880 -1.299 -2.038 101 H TYR 16 H TYR 16 1.115 -2.784 1.701 102 HA TYR 16 HA TYR 16 0.080 -0.693 3.591 103 HB2 TYR 16 HB2 TYR 16 1.984 -2.968 4.338 104 HB3 TYR 16 HB3 TYR 16 1.369 -1.716 5.426 105 HD1 TYR 16 HD1 TYR 16 0.392 -4.672 3.291 106 HD2 TYR 16 HD2 TYR 16 -0.786 -2.109 6.527 107 HE1 TYR 16 HE1 TYR 16 -1.612 -6.047 3.647 108 HE2 TYR 16 HE2 TYR 16 -2.679 -3.605 7.021 109 HH TYR 16 HH TYR 16 -3.608 -6.350 4.930 110 H TRP 17 H TRP 17 1.889 0.720 4.455 111 HA TRP 17 HA TRP 17 3.794 1.218 2.262 112 HB2 TRP 17 HB2 TRP 17 3.323 2.629 4.950 113 HB3 TRP 17 HB3 TRP 17 4.546 3.162 3.787 114 HD1 TRP 17 HD1 TRP 17 1.053 3.862 4.607 115 HE1 TRP 17 HE1 TRP 17 -0.076 5.151 2.757 116 HE3 TRP 17 HE3 TRP 17 4.511 3.151 0.791 117 HZ2 TRP 17 HZ2 TRP 17 0.256 5.724 0.113 118 HZ3 TRP 17 HZ3 TRP 17 4.013 4.223 -1.407 119 HH2 TRP 17 HH2 TRP 17 1.886 5.429 -1.767 120 HA PRO 18 HA PRO 18 6.905 -1.205 4.493 121 HB2 PRO 18 HB2 PRO 18 9.273 -0.261 3.461 122 HB3 PRO 18 HB3 PRO 18 8.050 -0.995 2.374 123 HG2 PRO 18 HG2 PRO 18 8.384 1.988 2.981 124 HG3 PRO 18 HG3 PRO 18 8.449 1.227 1.357 125 HD2 PRO 18 HD2 PRO 18 6.125 2.309 2.304 126 HD3 PRO 18 HD3 PRO 18 6.045 0.737 1.414 Start of MODEL 3 1 H1 SER 1 H SER 1 2.144 -0.334 0.120 2 HA SER 1 HA SER 1 1.683 0.039 -2.738 3 HB2 SER 1 HB2 SER 1 3.994 0.946 -3.234 4 HB3 SER 1 HB3 SER 1 2.948 2.116 -2.384 5 HG SER 1 HG SER 1 4.100 1.493 -0.417 6 H ILE 2 H ILE 2 4.745 -0.744 -0.882 7 HA ILE 2 HA ILE 2 4.388 -3.599 -1.722 8 HB ILE 2 HB ILE 2 6.864 -3.624 -2.262 9 HG12 ILE 2 HG12 ILE 2 8.021 -1.538 -2.898 10 HG13 ILE 2 HG13 ILE 2 6.637 -0.542 -2.401 11 HG21 ILE 2 HG21 ILE 2 6.589 -2.713 -4.567 12 HG22 ILE 2 HG22 ILE 2 5.134 -3.606 -4.060 13 HG23 ILE 2 HG23 ILE 2 5.130 -1.819 -4.054 14 HD11 ILE 2 HD11 ILE 2 7.049 -1.166 -0.001 15 HD12 ILE 2 HD12 ILE 2 8.361 -2.278 -0.509 16 HD13 ILE 2 HD13 ILE 2 8.527 -0.517 -0.740 17 H GLY 3 H GLY 3 3.782 -2.242 0.856 18 HA2 GLY 3 HA3 GLY 3 5.981 -3.443 2.518 19 HA3 GLY 3 HA2 GLY 3 4.855 -2.161 3.010 20 H ASP 4 H ASP 4 5.128 -4.548 4.487 21 HA ASP 4 HA ASP 4 2.425 -5.667 4.121 22 HB2 ASP 4 HB2 ASP 4 5.026 -6.965 4.728 23 HB3 ASP 4 HB3 ASP 4 3.614 -7.586 5.579 24 H SER 5 H SER 5 3.707 -3.395 5.792 25 HA SER 5 HA SER 5 3.570 -4.063 8.505 26 HB2 SER 5 HB2 SER 5 4.300 -1.841 7.193 27 HB3 SER 5 HB3 SER 5 2.683 -1.343 7.692 28 HG SER 5 HG SER 5 3.487 -1.013 9.592 29 H GLY 6 H GLY 6 1.819 -2.502 9.811 30 HA2 GLY 6 HA3 GLY 6 -0.736 -3.794 9.175 31 HA3 GLY 6 HA2 GLY 6 -0.290 -3.101 10.727 32 H LEU 7 H LEU 7 0.558 -0.895 8.161 33 HA LEU 7 HA LEU 7 -1.934 0.699 8.701 34 HB2 LEU 7 HB2 LEU 7 0.936 1.451 7.925 35 HB3 LEU 7 HB3 LEU 7 -0.413 2.600 7.834 36 HG LEU 7 HG LEU 7 0.184 1.126 10.461 37 HD11 LEU 7 HD11 LEU 7 1.594 3.092 11.160 38 HD12 LEU 7 HD12 LEU 7 1.506 3.742 9.496 39 HD13 LEU 7 HD13 LEU 7 2.337 2.190 9.815 40 HD21 LEU 7 HD21 LEU 7 -1.081 3.886 9.860 41 HD22 LEU 7 HD22 LEU 7 -0.897 3.150 11.476 42 HD23 LEU 7 HD23 LEU 7 -2.008 2.423 10.293 43 H ARG 8 H ARG 8 -3.324 -0.121 6.962 44 HA ARG 8 HA ARG 8 -2.303 -0.892 4.479 45 HB2 ARG 8 HB2 ARG 8 -5.060 0.246 5.175 46 HB3 ARG 8 HB3 ARG 8 -4.625 -0.219 3.508 47 HG2 ARG 8 HG2 ARG 8 -4.154 -2.529 4.152 48 HG3 ARG 8 HG3 ARG 8 -4.397 -2.147 5.879 49 HD2 ARG 8 HD2 ARG 8 -6.668 -1.602 3.919 50 HD3 ARG 8 HD3 ARG 8 -6.412 -3.269 4.376 51 HE ARG 8 HE ARG 8 -7.531 -1.136 6.027 52 HH11 ARG 8 HH11 ARG 8 -5.619 -4.200 6.243 53 HH12 ARG 8 HH12 ARG 8 -6.183 -4.510 7.875 54 HH21 ARG 8 HH21 ARG 8 -8.177 -1.637 8.123 55 HH22 ARG 8 HH22 ARG 8 -7.593 -3.098 8.922 56 H GLU 9 H GLU 9 -2.196 0.268 2.336 57 HA GLU 9 HA GLU 9 -1.091 2.898 2.778 58 HB2 GLU 9 HB2 GLU 9 -1.773 1.578 0.085 59 HB3 GLU 9 HB3 GLU 9 -0.898 3.115 0.318 60 HG2 GLU 9 HG2 GLU 9 0.946 1.869 1.524 61 HG3 GLU 9 HG3 GLU 9 0.046 0.357 1.278 62 H SER 10 H SER 10 -4.069 1.535 1.107 63 HA SER 10 HA SER 10 -5.320 4.254 1.397 64 HB2 SER 10 HB2 SER 10 -6.377 3.807 -0.823 65 HB3 SER 10 HB3 SER 10 -4.585 3.838 -0.943 66 HG SER 10 HG SER 10 -5.492 1.929 -2.008 67 H MET 11 H MET 11 -7.707 4.176 1.454 68 HA MET 11 HA MET 11 -8.554 2.261 3.338 69 HB2 MET 11 HB2 MET 11 -10.851 3.097 3.035 70 HB3 MET 11 HB3 MET 11 -9.678 4.436 3.153 71 HG2 MET 11 HG2 MET 11 -9.807 4.772 0.649 72 HG3 MET 11 HG3 MET 11 -10.982 3.427 0.531 73 HE1 MET 11 HE1 MET 11 -11.121 7.000 0.040 74 HE2 MET 11 HE2 MET 11 -12.072 5.719 -0.788 75 HE3 MET 11 HE3 MET 11 -12.911 7.003 0.143 76 H SER 12 H SER 12 -8.870 2.181 -0.294 77 HA SER 12 HA SER 12 -10.787 -0.029 -0.076 78 HB2 SER 12 HB2 SER 12 -10.937 1.651 -1.890 79 HB3 SER 12 HB3 SER 12 -9.392 1.083 -2.577 80 HG SER 12 HG SER 12 -10.503 -1.027 -2.837 81 H SER 13 H SER 13 -7.331 0.301 -1.318 82 HA SER 13 HA SER 13 -7.284 -2.489 -2.010 83 HB2 SER 13 HB2 SER 13 -5.806 -0.711 -3.079 84 HB3 SER 13 HB3 SER 13 -4.898 -0.628 -1.545 85 HG SER 13 HG SER 13 -5.092 -2.950 -3.239 86 H GLN 14 H GLN 14 -5.474 -4.022 -1.105 87 HA GLN 14 HA GLN 14 -5.379 -3.800 1.902 88 HB2 GLN 14 HB2 GLN 14 -6.991 -5.508 0.928 89 HB3 GLN 14 HB3 GLN 14 -5.608 -6.300 0.126 90 HG2 GLN 14 HG2 GLN 14 -4.547 -6.623 2.446 91 HG3 GLN 14 HG3 GLN 14 -6.039 -5.964 3.168 92 HE21 GLN 14 HE21 GLN 14 -5.019 -8.701 3.649 93 HE22 GLN 14 HE22 GLN 14 -6.210 -9.768 3.002 94 H THR 15 H THR 15 -3.431 -2.424 0.985 95 HA THR 15 HA THR 15 -1.066 -4.256 0.981 96 HB THR 15 HB THR 15 -1.683 -3.692 -1.397 97 HG1 THR 15 HG1 THR 15 0.829 -2.576 -0.614 98 HG21 THR 15 HG21 THR 15 -0.989 -0.797 -0.612 99 HG22 THR 15 HG22 THR 15 -2.611 -1.375 -1.064 100 HG23 THR 15 HG23 THR 15 -1.290 -1.388 -2.265 101 H TYR 16 H TYR 16 0.989 -2.887 1.725 102 HA TYR 16 HA TYR 16 -0.032 -0.706 3.543 103 HB2 TYR 16 HB2 TYR 16 1.841 -3.004 4.273 104 HB3 TYR 16 HB3 TYR 16 1.206 -1.771 5.375 105 HD1 TYR 16 HD2 TYR 16 0.258 -4.691 3.158 106 HD2 TYR 16 HD1 TYR 16 -0.985 -2.173 6.410 107 HE1 TYR 16 HE2 TYR 16 -1.746 -6.086 3.485 108 HE2 TYR 16 HE1 TYR 16 -2.822 -3.725 6.913 109 HH TYR 16 HH TYR 16 -3.765 -5.908 6.358 110 H TRP 17 H TRP 17 1.758 0.702 4.433 111 HA TRP 17 HA TRP 17 3.717 1.216 2.298 112 HB2 TRP 17 HB2 TRP 17 3.256 2.543 5.037 113 HB3 TRP 17 HB3 TRP 17 4.503 3.082 3.898 114 HD1 TRP 17 HD1 TRP 17 0.967 3.770 4.686 115 HE1 TRP 17 HE1 TRP 17 -0.115 5.137 2.864 116 HE3 TRP 17 HE3 TRP 17 4.615 3.402 1.010 117 HZ2 TRP 17 HZ2 TRP 17 0.266 5.776 0.234 118 HZ3 TRP 17 HZ3 TRP 17 4.082 4.363 -1.231 119 HH2 TRP 17 HH2 TRP 17 1.929 5.520 -1.623 120 HA PRO 18 HA PRO 18 6.711 -1.400 4.508 121 HB2 PRO 18 HB2 PRO 18 9.129 -0.484 3.579 122 HB3 PRO 18 HB3 PRO 18 7.923 -1.165 2.440 123 HG2 PRO 18 HG2 PRO 18 8.312 1.797 3.124 124 HG3 PRO 18 HG3 PRO 18 8.400 1.068 1.487 125 HD2 PRO 18 HD2 PRO 18 6.076 2.189 2.394 126 HD3 PRO 18 HD3 PRO 18 5.983 0.635 1.476 Start of MODEL 4 1 H1 SER 1 H SER 1 2.105 -0.381 0.125 2 HA SER 1 HA SER 1 1.644 -0.027 -2.736 3 HB2 SER 1 HB2 SER 1 3.924 0.953 -3.218 4 HB3 SER 1 HB3 SER 1 2.844 2.098 -2.380 5 HG SER 1 HG SER 1 3.997 1.497 -0.398 6 H ILE 2 H ILE 2 4.704 -0.714 -0.838 7 HA ILE 2 HA ILE 2 4.432 -3.580 -1.655 8 HB ILE 2 HB ILE 2 6.911 -3.545 -2.219 9 HG12 ILE 2 HG12 ILE 2 7.979 -1.428 -2.922 10 HG13 ILE 2 HG13 ILE 2 6.566 -0.477 -2.417 11 HG21 ILE 2 HG21 ILE 2 6.585 -2.711 -4.538 12 HG22 ILE 2 HG22 ILE 2 5.162 -3.631 -3.993 13 HG23 ILE 2 HG23 ILE 2 5.106 -1.846 -4.039 14 HD11 ILE 2 HD11 ILE 2 8.392 -2.108 -0.531 15 HD12 ILE 2 HD12 ILE 2 8.479 -0.346 -0.791 16 HD13 ILE 2 HD13 ILE 2 7.044 -1.045 -0.016 17 H GLY 3 H GLY 3 3.780 -2.260 0.892 18 HA2 GLY 3 HA3 GLY 3 6.024 -3.358 2.571 19 HA3 GLY 3 HA2 GLY 3 4.883 -2.081 3.039 20 H ASP 4 H ASP 4 5.208 -4.445 4.562 21 HA ASP 4 HA ASP 4 2.516 -5.605 4.240 22 HB2 ASP 4 HB2 ASP 4 5.018 -6.920 4.321 23 HB3 ASP 4 HB3 ASP 4 4.217 -7.269 5.850 24 H SER 5 H SER 5 3.787 -3.292 5.864 25 HA SER 5 HA SER 5 3.683 -3.920 8.588 26 HB2 SER 5 HB2 SER 5 4.124 -1.620 7.056 27 HB3 SER 5 HB3 SER 5 2.729 -1.232 8.063 28 HG SER 5 HG SER 5 4.540 -0.737 9.238 29 H GLY 6 H GLY 6 1.926 -2.359 9.887 30 HA2 GLY 6 HA3 GLY 6 -0.620 -3.690 9.293 31 HA3 GLY 6 HA2 GLY 6 -0.167 -2.970 10.831 32 H LEU 7 H LEU 7 0.593 -0.817 8.171 33 HA LEU 7 HA LEU 7 -1.854 0.808 8.800 34 HB2 LEU 7 HB2 LEU 7 1.031 1.502 8.034 35 HB3 LEU 7 HB3 LEU 7 -0.286 2.657 7.792 36 HG LEU 7 HG LEU 7 0.080 1.383 10.548 37 HD11 LEU 7 HD11 LEU 7 1.566 3.313 11.201 38 HD12 LEU 7 HD12 LEU 7 1.650 3.814 9.485 39 HD13 LEU 7 HD13 LEU 7 2.337 2.244 10.001 40 HD21 LEU 7 HD21 LEU 7 -1.996 2.806 10.070 41 HD22 LEU 7 HD22 LEU 7 -0.928 4.171 9.651 42 HD23 LEU 7 HD23 LEU 7 -0.953 3.532 11.316 43 H ARG 8 H ARG 8 -3.287 -0.026 7.095 44 HA ARG 8 HA ARG 8 -2.283 -0.857 4.638 45 HB2 ARG 8 HB2 ARG 8 -5.041 0.303 5.274 46 HB3 ARG 8 HB3 ARG 8 -4.589 -0.238 3.635 47 HG2 ARG 8 HG2 ARG 8 -4.124 -2.512 4.391 48 HG3 ARG 8 HG3 ARG 8 -4.418 -2.060 6.089 49 HD2 ARG 8 HD2 ARG 8 -6.676 -1.487 4.154 50 HD3 ARG 8 HD3 ARG 8 -6.386 -3.187 4.420 51 HE ARG 8 HE ARG 8 -7.561 -1.295 6.289 52 HH11 ARG 8 HH11 ARG 8 -5.512 -4.268 6.181 53 HH12 ARG 8 HH12 ARG 8 -6.056 -4.779 7.770 54 HH21 ARG 8 HH21 ARG 8 -8.178 -2.043 8.322 55 HH22 ARG 8 HH22 ARG 8 -7.524 -3.553 8.962 56 H GLU 9 H GLU 9 -2.113 0.252 2.477 57 HA GLU 9 HA GLU 9 -1.042 2.898 2.857 58 HB2 GLU 9 HB2 GLU 9 -1.814 1.588 0.179 59 HB3 GLU 9 HB3 GLU 9 -0.890 3.097 0.395 60 HG2 GLU 9 HG2 GLU 9 0.953 1.806 1.532 61 HG3 GLU 9 HG3 GLU 9 0.017 0.312 1.308 62 H SER 10 H SER 10 -4.049 1.463 1.399 63 HA SER 10 HA SER 10 -5.312 4.200 1.418 64 HB2 SER 10 HB2 SER 10 -6.452 3.294 -0.717 65 HB3 SER 10 HB3 SER 10 -4.683 3.488 -0.870 66 HG SER 10 HG SER 10 -5.925 0.983 -0.230 67 H MET 11 H MET 11 -7.796 3.929 1.280 68 HA MET 11 HA MET 11 -8.560 2.211 3.484 69 HB2 MET 11 HB2 MET 11 -10.861 2.975 3.151 70 HB3 MET 11 HB3 MET 11 -9.736 4.339 3.327 71 HG2 MET 11 HG2 MET 11 -10.607 3.419 0.521 72 HG3 MET 11 HG3 MET 11 -11.657 4.463 1.503 73 HE1 MET 11 HE1 MET 11 -11.038 5.624 -1.164 74 HE2 MET 11 HE2 MET 11 -9.552 6.618 -1.336 75 HE3 MET 11 HE3 MET 11 -9.438 4.828 -1.372 76 H SER 12 H SER 12 -8.761 1.894 -0.142 77 HA SER 12 HA SER 12 -10.760 -0.255 0.218 78 HB2 SER 12 HB2 SER 12 -11.107 1.400 -1.568 79 HB3 SER 12 HB3 SER 12 -9.578 0.931 -2.344 80 HG SER 12 HG SER 12 -11.805 -0.845 -1.971 81 H SER 13 H SER 13 -7.540 -0.034 -1.583 82 HA SER 13 HA SER 13 -7.428 -2.837 -1.906 83 HB2 SER 13 HB2 SER 13 -6.056 -1.225 -3.247 84 HB3 SER 13 HB3 SER 13 -5.045 -0.910 -1.799 85 HG SER 13 HG SER 13 -4.148 -2.643 -3.180 86 H GLN 14 H GLN 14 -5.371 -4.153 -1.098 87 HA GLN 14 HA GLN 14 -5.375 -3.994 1.923 88 HB2 GLN 14 HB2 GLN 14 -5.398 -6.394 0.005 89 HB3 GLN 14 HB3 GLN 14 -5.278 -6.502 1.783 90 HG2 GLN 14 HG2 GLN 14 -7.562 -5.754 2.089 91 HG3 GLN 14 HG3 GLN 14 -7.652 -5.070 0.450 92 HE21 GLN 14 HE21 GLN 14 -6.803 -8.416 1.803 93 HE22 GLN 14 HE22 GLN 14 -7.834 -9.223 0.683 94 H THR 15 H THR 15 -3.423 -2.476 0.867 95 HA THR 15 HA THR 15 -1.006 -4.250 1.114 96 HB THR 15 HB THR 15 -1.198 -3.725 -1.276 97 HG1 THR 15 HG1 THR 15 0.919 -2.677 -1.339 98 HG21 THR 15 HG21 THR 15 -1.344 -0.783 -0.380 99 HG22 THR 15 HG22 THR 15 -2.593 -1.684 -1.280 100 HG23 THR 15 HG23 THR 15 -1.037 -1.299 -2.060 101 H TYR 16 H TYR 16 1.006 -2.726 1.698 102 HA TYR 16 HA TYR 16 -0.009 -0.646 3.618 103 HB2 TYR 16 HB2 TYR 16 1.913 -2.913 4.322 104 HB3 TYR 16 HB3 TYR 16 1.279 -1.689 5.432 105 HD1 TYR 16 HD2 TYR 16 0.353 -4.628 3.252 106 HD2 TYR 16 HD1 TYR 16 -0.912 -2.094 6.479 107 HE1 TYR 16 HE2 TYR 16 -1.581 -6.102 3.664 108 HE2 TYR 16 HE1 TYR 16 -2.729 -3.658 7.010 109 HH TYR 16 HH TYR 16 -3.591 -5.891 6.549 110 H TRP 17 H TRP 17 1.792 0.789 4.454 111 HA TRP 17 HA TRP 17 3.713 1.291 2.282 112 HB2 TRP 17 HB2 TRP 17 3.271 2.654 5.005 113 HB3 TRP 17 HB3 TRP 17 4.496 3.191 3.845 114 HD1 TRP 17 HD1 TRP 17 0.971 3.861 4.665 115 HE1 TRP 17 HE1 TRP 17 -0.154 5.174 2.828 116 HE3 TRP 17 HE3 TRP 17 4.567 3.449 0.945 117 HZ2 TRP 17 HZ2 TRP 17 0.179 5.753 0.178 118 HZ3 TRP 17 HZ3 TRP 17 3.990 4.352 -1.309 119 HH2 TRP 17 HH2 TRP 17 1.817 5.472 -1.696 120 HA PRO 18 HA PRO 18 6.767 -1.259 4.471 121 HB2 PRO 18 HB2 PRO 18 9.166 -0.317 3.517 122 HB3 PRO 18 HB3 PRO 18 7.959 -1.019 2.392 123 HG2 PRO 18 HG2 PRO 18 8.314 1.950 3.055 124 HG3 PRO 18 HG3 PRO 18 8.398 1.214 1.422 125 HD2 PRO 18 HD2 PRO 18 6.072 2.310 2.346 126 HD3 PRO 18 HD3 PRO 18 5.983 0.752 1.436 Start of MODEL 5 1 H1 SER 1 H SER 1 2.249 -0.344 0.221 2 HA SER 1 HA SER 1 1.733 -0.015 -2.647 3 HB2 SER 1 HB2 SER 1 4.015 0.910 -3.168 4 HB3 SER 1 HB3 SER 1 3.009 2.077 -2.259 5 HG SER 1 HG SER 1 5.191 1.818 -1.316 6 H ILE 2 H ILE 2 4.769 -0.758 -0.761 7 HA ILE 2 HA ILE 2 4.464 -3.621 -1.607 8 HB ILE 2 HB ILE 2 6.929 -3.625 -2.184 9 HG12 ILE 2 HG12 ILE 2 8.044 -1.519 -2.854 10 HG13 ILE 2 HG13 ILE 2 6.657 -0.544 -2.323 11 HG21 ILE 2 HG21 ILE 2 5.174 -3.636 -3.949 12 HG22 ILE 2 HG22 ILE 2 5.162 -1.848 -3.966 13 HG23 ILE 2 HG23 ILE 2 6.617 -2.742 -4.486 14 HD11 ILE 2 HD11 ILE 2 8.585 -0.493 -0.708 15 HD12 ILE 2 HD12 ILE 2 7.133 -1.164 0.064 16 HD13 ILE 2 HD13 ILE 2 8.448 -2.258 -0.477 17 H GLY 3 H GLY 3 3.852 -2.286 0.961 18 HA2 GLY 3 HA3 GLY 3 6.070 -3.466 2.615 19 HA3 GLY 3 HA2 GLY 3 4.951 -2.181 3.111 20 H ASP 4 H ASP 4 5.234 -4.587 4.568 21 HA ASP 4 HA ASP 4 2.528 -5.703 4.218 22 HB2 ASP 4 HB2 ASP 4 5.122 -7.007 4.656 23 HB3 ASP 4 HB3 ASP 4 3.849 -7.568 5.736 24 H SER 5 H SER 5 3.825 -3.434 5.884 25 HA SER 5 HA SER 5 3.701 -4.103 8.597 26 HB2 SER 5 HB2 SER 5 4.299 -1.830 7.173 27 HB3 SER 5 HB3 SER 5 2.788 -1.383 7.966 28 HG SER 5 HG SER 5 5.247 -1.589 9.018 29 H GLY 6 H GLY 6 1.961 -2.535 9.912 30 HA2 GLY 6 HA3 GLY 6 -0.601 -3.822 9.289 31 HA3 GLY 6 HA2 GLY 6 -0.145 -3.131 10.839 32 H LEU 7 H LEU 7 0.662 -0.925 8.226 33 HA LEU 7 HA LEU 7 -1.770 0.671 8.929 34 HB2 LEU 7 HB2 LEU 7 0.602 1.393 9.653 35 HB3 LEU 7 HB3 LEU 7 0.967 1.622 7.936 36 HG LEU 7 HG LEU 7 0.435 3.763 8.886 37 HD11 LEU 7 HD11 LEU 7 -0.586 3.337 6.607 38 HD12 LEU 7 HD12 LEU 7 -1.463 4.571 7.553 39 HD13 LEU 7 HD13 LEU 7 -2.135 2.926 7.414 40 HD21 LEU 7 HD21 LEU 7 -2.247 2.718 9.988 41 HD22 LEU 7 HD22 LEU 7 -1.570 4.356 10.143 42 HD23 LEU 7 HD23 LEU 7 -0.765 2.985 10.949 43 H ARG 8 H ARG 8 -3.202 -0.051 7.153 44 HA ARG 8 HA ARG 8 -2.185 -0.829 4.676 45 HB2 ARG 8 HB2 ARG 8 -4.953 0.273 5.368 46 HB3 ARG 8 HB3 ARG 8 -4.518 -0.198 3.706 47 HG2 ARG 8 HG2 ARG 8 -3.997 -2.493 4.371 48 HG3 ARG 8 HG3 ARG 8 -4.254 -2.097 6.092 49 HD2 ARG 8 HD2 ARG 8 -6.506 -1.671 4.075 50 HD3 ARG 8 HD3 ARG 8 -6.236 -3.296 4.661 51 HE ARG 8 HE ARG 8 -7.406 -1.054 6.127 52 HH11 ARG 8 HH11 ARG 8 -5.489 -4.090 6.611 53 HH12 ARG 8 HH12 ARG 8 -6.091 -4.274 8.250 54 HH21 ARG 8 HH21 ARG 8 -8.091 -1.397 8.239 55 HH22 ARG 8 HH22 ARG 8 -7.522 -2.793 9.157 56 H GLU 9 H GLU 9 -2.046 0.265 2.526 57 HA GLU 9 HA GLU 9 -0.976 2.917 2.900 58 HB2 GLU 9 HB2 GLU 9 -1.713 1.604 0.223 59 HB3 GLU 9 HB3 GLU 9 -0.773 3.099 0.456 60 HG2 GLU 9 HG2 GLU 9 1.036 1.782 1.628 61 HG3 GLU 9 HG3 GLU 9 0.096 0.298 1.377 62 H SER 10 H SER 10 -4.011 1.501 1.444 63 HA SER 10 HA SER 10 -5.250 4.218 1.653 64 HB2 SER 10 HB2 SER 10 -6.336 3.841 -0.559 65 HB3 SER 10 HB3 SER 10 -4.561 3.914 -0.730 66 HG SER 10 HG SER 10 -4.628 1.559 -0.878 67 H MET 11 H MET 11 -7.656 4.126 1.664 68 HA MET 11 HA MET 11 -8.451 2.208 3.561 69 HB2 MET 11 HB2 MET 11 -10.743 3.035 3.317 70 HB3 MET 11 HB3 MET 11 -9.594 4.399 3.297 71 HG2 MET 11 HG2 MET 11 -9.828 4.516 0.758 72 HG3 MET 11 HG3 MET 11 -11.023 3.182 0.836 73 HE1 MET 11 HE1 MET 11 -12.586 4.942 -0.525 74 HE2 MET 11 HE2 MET 11 -13.188 6.475 0.187 75 HE3 MET 11 HE3 MET 11 -11.473 6.337 -0.320 76 H SER 12 H SER 12 -8.765 2.124 -0.057 77 HA SER 12 HA SER 12 -10.626 -0.121 0.146 78 HB2 SER 12 HB2 SER 12 -10.682 -0.166 -2.261 79 HB3 SER 12 HB3 SER 12 -10.861 1.520 -1.707 80 HG SER 12 HG SER 12 -8.596 1.794 -2.388 81 H SER 13 H SER 13 -7.170 0.219 -1.108 82 HA SER 13 HA SER 13 -7.197 -2.564 -1.862 83 HB2 SER 13 HB2 SER 13 -5.734 -0.749 -2.939 84 HB3 SER 13 HB3 SER 13 -4.737 -0.800 -1.459 85 HG SER 13 HG SER 13 -5.144 -3.008 -3.263 86 H GLN 14 H GLN 14 -5.186 -4.029 -1.064 87 HA GLN 14 HA GLN 14 -5.227 -3.996 1.953 88 HB2 GLN 14 HB2 GLN 14 -5.173 -6.378 0.011 89 HB3 GLN 14 HB3 GLN 14 -5.215 -6.469 1.794 90 HG2 GLN 14 HG2 GLN 14 -7.495 -5.428 1.801 91 HG3 GLN 14 HG3 GLN 14 -7.434 -5.224 0.032 92 HE21 GLN 14 HE21 GLN 14 -7.178 -7.862 2.588 93 HE22 GLN 14 HE22 GLN 14 -7.900 -9.065 1.586 94 H THR 15 H THR 15 -3.270 -2.470 0.674 95 HA THR 15 HA THR 15 -0.843 -4.236 0.990 96 HB THR 15 HB THR 15 -1.006 -3.574 -1.389 97 HG1 THR 15 HG1 THR 15 1.144 -3.483 -0.458 98 HG21 THR 15 HG21 THR 15 -2.397 -1.601 -1.405 99 HG22 THR 15 HG22 THR 15 -0.787 -1.090 -1.973 100 HG23 THR 15 HG23 THR 15 -1.303 -0.725 -0.304 101 H TYR 16 H TYR 16 1.109 -2.816 1.815 102 HA TYR 16 HA TYR 16 0.051 -0.715 3.683 103 HB2 TYR 16 HB2 TYR 16 1.928 -3.025 4.393 104 HB3 TYR 16 HB3 TYR 16 1.326 -1.788 5.508 105 HD1 TYR 16 HD2 TYR 16 0.309 -4.692 3.312 106 HD2 TYR 16 HD1 TYR 16 -0.878 -2.125 6.542 107 HE1 TYR 16 HE2 TYR 16 -1.658 -6.106 3.713 108 HE2 TYR 16 HE1 TYR 16 -2.701 -3.683 7.109 109 HH TYR 16 HH TYR 16 -3.504 -6.568 5.167 110 H TRP 17 H TRP 17 1.878 0.693 4.548 111 HA TRP 17 HA TRP 17 3.799 1.161 2.364 112 HB2 TRP 17 HB2 TRP 17 3.380 2.552 5.071 113 HB3 TRP 17 HB3 TRP 17 4.610 3.066 3.904 114 HD1 TRP 17 HD1 TRP 17 1.147 3.850 4.762 115 HE1 TRP 17 HE1 TRP 17 0.032 5.184 2.936 116 HE3 TRP 17 HE3 TRP 17 4.549 3.088 0.908 117 HZ2 TRP 17 HZ2 TRP 17 0.357 5.779 0.296 118 HZ3 TRP 17 HZ3 TRP 17 4.058 4.192 -1.275 119 HH2 TRP 17 HH2 TRP 17 1.963 5.462 -1.601 120 HA PRO 18 HA PRO 18 6.850 -1.364 4.579 121 HB2 PRO 18 HB2 PRO 18 9.248 -0.450 3.586 122 HB3 PRO 18 HB3 PRO 18 8.024 -1.165 2.490 123 HG2 PRO 18 HG2 PRO 18 8.402 1.814 3.078 124 HG3 PRO 18 HG3 PRO 18 8.458 1.031 1.465 125 HD2 PRO 18 HD2 PRO 18 6.151 2.166 2.394 126 HD3 PRO 18 HD3 PRO 18 6.049 0.591 1.513 Start of MODEL 6 1 H1 SER 1 H SER 1 1.994 -0.489 0.135 2 HA SER 1 HA SER 1 1.551 -0.217 -2.723 3 HB2 SER 1 HB2 SER 1 3.847 0.708 -3.258 4 HB3 SER 1 HB3 SER 1 2.784 1.904 -2.473 5 HG SER 1 HG SER 1 3.927 1.382 -0.466 6 H ILE 2 H ILE 2 4.619 -0.852 -0.826 7 HA ILE 2 HA ILE 2 4.336 -3.744 -1.550 8 HB ILE 2 HB ILE 2 6.810 -3.737 -2.100 9 HG12 ILE 2 HG12 ILE 2 7.909 -1.646 -2.835 10 HG13 ILE 2 HG13 ILE 2 6.503 -0.669 -2.363 11 HG21 ILE 2 HG21 ILE 2 6.507 -2.937 -4.440 12 HG22 ILE 2 HG22 ILE 2 5.077 -3.839 -3.887 13 HG23 ILE 2 HG23 ILE 2 5.032 -2.055 -3.962 14 HD11 ILE 2 HD11 ILE 2 8.406 -0.529 -0.724 15 HD12 ILE 2 HD12 ILE 2 6.956 -1.191 0.056 16 HD13 ILE 2 HD13 ILE 2 8.290 -2.284 -0.426 17 H GLY 3 H GLY 3 3.702 -2.304 0.969 18 HA2 GLY 3 HA3 GLY 3 5.929 -3.382 2.677 19 HA3 GLY 3 HA2 GLY 3 4.778 -2.104 3.114 20 H ASP 4 H ASP 4 5.103 -4.435 4.684 21 HA ASP 4 HA ASP 4 2.418 -5.611 4.371 22 HB2 ASP 4 HB2 ASP 4 5.000 -6.849 5.299 23 HB3 ASP 4 HB3 ASP 4 3.442 -7.547 5.732 24 H SER 5 H SER 5 3.666 -3.253 5.946 25 HA SER 5 HA SER 5 3.545 -3.812 8.684 26 HB2 SER 5 HB2 SER 5 3.992 -1.552 7.100 27 HB3 SER 5 HB3 SER 5 2.581 -1.143 8.076 28 HG SER 5 HG SER 5 4.960 -2.235 9.161 29 H GLY 6 H GLY 6 1.771 -2.227 9.930 30 HA2 GLY 6 HA3 GLY 6 -0.764 -3.587 9.353 31 HA3 GLY 6 HA2 GLY 6 -0.327 -2.824 10.875 32 H LEU 7 H LEU 7 0.442 -0.701 8.165 33 HA LEU 7 HA LEU 7 -2.041 0.866 8.785 34 HB2 LEU 7 HB2 LEU 7 0.688 1.873 7.792 35 HB3 LEU 7 HB3 LEU 7 -0.804 2.802 8.036 36 HG LEU 7 HG LEU 7 -0.675 1.955 10.548 37 HD11 LEU 7 HD11 LEU 7 1.684 1.588 11.367 38 HD12 LEU 7 HD12 LEU 7 2.268 1.547 9.681 39 HD13 LEU 7 HD13 LEU 7 1.176 0.272 10.294 40 HD21 LEU 7 HD21 LEU 7 1.330 4.019 9.443 41 HD22 LEU 7 HD22 LEU 7 0.800 3.895 11.148 42 HD23 LEU 7 HD23 LEU 7 -0.376 4.328 9.885 43 H ARG 8 H ARG 8 -3.475 0.147 7.033 44 HA ARG 8 HA ARG 8 -2.395 -0.823 4.629 45 HB2 ARG 8 HB2 ARG 8 -5.155 0.395 5.097 46 HB3 ARG 8 HB3 ARG 8 -4.658 -0.345 3.552 47 HG2 ARG 8 HG2 ARG 8 -4.247 -2.529 4.622 48 HG3 ARG 8 HG3 ARG 8 -4.603 -1.848 6.227 49 HD2 ARG 8 HD2 ARG 8 -6.568 -2.033 3.872 50 HD3 ARG 8 HD3 ARG 8 -6.585 -3.159 5.217 51 HE ARG 8 HE ARG 8 -7.655 -0.426 5.114 52 HH11 ARG 8 HH11 ARG 8 -6.327 -2.878 7.430 53 HH12 ARG 8 HH12 ARG 8 -7.142 -2.115 8.785 54 HH21 ARG 8 HH21 ARG 8 -8.636 0.450 6.925 55 HH22 ARG 8 HH22 ARG 8 -8.422 -0.286 8.514 56 H GLU 9 H GLU 9 -2.203 0.231 2.430 57 HA GLU 9 HA GLU 9 -1.154 2.896 2.748 58 HB2 GLU 9 HB2 GLU 9 -1.879 1.485 0.107 59 HB3 GLU 9 HB3 GLU 9 -0.987 3.019 0.273 60 HG2 GLU 9 HG2 GLU 9 0.869 1.807 1.478 61 HG3 GLU 9 HG3 GLU 9 -0.043 0.294 1.308 62 H SER 10 H SER 10 -4.133 1.393 1.303 63 HA SER 10 HA SER 10 -5.421 4.116 1.243 64 HB2 SER 10 HB2 SER 10 -6.532 3.153 -0.881 65 HB3 SER 10 HB3 SER 10 -4.765 3.368 -1.026 66 HG SER 10 HG SER 10 -5.972 0.858 -0.347 67 H MET 11 H MET 11 -7.892 3.857 1.157 68 HA MET 11 HA MET 11 -8.630 2.123 3.351 69 HB2 MET 11 HB2 MET 11 -10.879 3.002 3.157 70 HB3 MET 11 HB3 MET 11 -9.684 4.320 3.067 71 HG2 MET 11 HG2 MET 11 -10.068 4.456 0.539 72 HG3 MET 11 HG3 MET 11 -11.190 3.075 0.668 73 HE1 MET 11 HE1 MET 11 -10.773 6.977 1.008 74 HE2 MET 11 HE2 MET 11 -12.045 7.401 2.195 75 HE3 MET 11 HE3 MET 11 -10.572 6.548 2.739 76 H SER 12 H SER 12 -8.799 1.738 -0.254 77 HA SER 12 HA SER 12 -10.719 -0.492 0.122 78 HB2 SER 12 HB2 SER 12 -11.156 1.104 -1.685 79 HB3 SER 12 HB3 SER 12 -9.596 0.731 -2.444 80 HG SER 12 HG SER 12 -11.701 -1.187 -2.068 81 H SER 13 H SER 13 -7.538 -0.193 -1.739 82 HA SER 13 HA SER 13 -7.335 -2.975 -1.994 83 HB2 SER 13 HB2 SER 13 -6.064 -1.363 -3.383 84 HB3 SER 13 HB3 SER 13 -5.020 -0.949 -1.999 85 HG SER 13 HG SER 13 -4.242 -3.187 -2.143 86 H GLN 14 H GLN 14 -5.806 -4.545 -1.002 87 HA GLN 14 HA GLN 14 -5.570 -4.081 1.940 88 HB2 GLN 14 HB2 GLN 14 -5.307 -6.511 2.092 89 HB3 GLN 14 HB3 GLN 14 -6.820 -6.100 1.259 90 HG2 GLN 14 HG2 GLN 14 -6.070 -6.936 -0.840 91 HG3 GLN 14 HG3 GLN 14 -4.361 -6.637 -0.482 92 HE21 GLN 14 HE21 GLN 14 -3.618 -8.827 -0.975 93 HE22 GLN 14 HE22 GLN 14 -4.125 -10.165 -0.019 94 H THR 15 H THR 15 -3.583 -2.555 0.689 95 HA THR 15 HA THR 15 -1.141 -4.275 1.147 96 HB THR 15 HB THR 15 -1.405 -3.817 -1.258 97 HG1 THR 15 HG1 THR 15 0.807 -2.975 -1.361 98 HG21 THR 15 HG21 THR 15 -1.175 -0.856 -0.452 99 HG22 THR 15 HG22 THR 15 -2.588 -1.591 -1.238 100 HG23 THR 15 HG23 THR 15 -1.048 -1.464 -2.121 101 H TYR 16 H TYR 16 0.861 -2.781 1.719 102 HA TYR 16 HA TYR 16 -0.138 -0.664 3.605 103 HB2 TYR 16 HB2 TYR 16 1.780 -2.927 4.344 104 HB3 TYR 16 HB3 TYR 16 1.167 -1.670 5.426 105 HD1 TYR 16 HD2 TYR 16 0.200 -4.660 3.338 106 HD2 TYR 16 HD1 TYR 16 -1.002 -2.032 6.512 107 HE1 TYR 16 HE2 TYR 16 -1.792 -6.056 3.752 108 HE2 TYR 16 HE1 TYR 16 -2.887 -3.508 7.038 109 HH TYR 16 HH TYR 16 -4.218 -5.345 6.271 110 H TRP 17 H TRP 17 1.642 0.807 4.390 111 HA TRP 17 HA TRP 17 3.588 1.244 2.227 112 HB2 TRP 17 HB2 TRP 17 3.137 2.676 4.914 113 HB3 TRP 17 HB3 TRP 17 4.370 3.181 3.747 114 HD1 TRP 17 HD1 TRP 17 0.855 3.902 4.547 115 HE1 TRP 17 HE1 TRP 17 -0.261 5.176 2.679 116 HE3 TRP 17 HE3 TRP 17 4.445 3.369 0.834 117 HZ2 TRP 17 HZ2 TRP 17 0.072 5.679 0.013 118 HZ3 TRP 17 HZ3 TRP 17 3.867 4.205 -1.444 119 HH2 TRP 17 HH2 TRP 17 1.701 5.328 -1.858 120 HA PRO 18 HA PRO 18 6.639 -1.217 4.540 121 HB2 PRO 18 HB2 PRO 18 9.048 -0.236 3.620 122 HB3 PRO 18 HB3 PRO 18 7.895 -1.042 2.509 123 HG2 PRO 18 HG2 PRO 18 8.169 1.971 2.966 124 HG3 PRO 18 HG3 PRO 18 8.269 1.114 1.398 125 HD2 PRO 18 HD2 PRO 18 5.926 2.241 2.253 126 HD3 PRO 18 HD3 PRO 18 5.864 0.637 1.425 Start of MODEL 7 1 H1 SER 1 H SER 1 2.006 -0.512 0.181 2 HA SER 1 HA SER 1 1.570 -0.220 -2.688 3 HB2 SER 1 HB2 SER 1 3.865 0.706 -3.193 4 HB3 SER 1 HB3 SER 1 2.809 1.898 -2.391 5 HG SER 1 HG SER 1 3.938 1.329 -0.385 6 H ILE 2 H ILE 2 4.649 -0.883 -0.833 7 HA ILE 2 HA ILE 2 4.322 -3.776 -1.552 8 HB ILE 2 HB ILE 2 6.797 -3.806 -2.087 9 HG12 ILE 2 HG12 ILE 2 7.947 -1.742 -2.791 10 HG13 ILE 2 HG13 ILE 2 6.555 -0.732 -2.338 11 HG21 ILE 2 HG21 ILE 2 5.077 -3.867 -3.883 12 HG22 ILE 2 HG22 ILE 2 5.058 -2.080 -3.947 13 HG23 ILE 2 HG23 ILE 2 6.526 -2.982 -4.421 14 HD11 ILE 2 HD11 ILE 2 8.444 -0.641 -0.675 15 HD12 ILE 2 HD12 ILE 2 6.961 -1.257 0.083 16 HD13 ILE 2 HD13 ILE 2 8.273 -2.393 -0.375 17 H GLY 3 H GLY 3 3.754 -2.257 0.994 18 HA2 GLY 3 HA3 GLY 3 5.959 -3.414 2.678 19 HA3 GLY 3 HA2 GLY 3 4.830 -2.121 3.137 20 H ASP 4 H ASP 4 5.127 -4.475 4.675 21 HA ASP 4 HA ASP 4 2.421 -5.603 4.370 22 HB2 ASP 4 HB2 ASP 4 5.025 -6.881 5.029 23 HB3 ASP 4 HB3 ASP 4 3.599 -7.482 5.869 24 H SER 5 H SER 5 3.717 -3.276 5.951 25 HA SER 5 HA SER 5 3.601 -3.850 8.687 26 HB2 SER 5 HB2 SER 5 2.781 -1.174 7.590 27 HB3 SER 5 HB3 SER 5 3.706 -1.538 9.046 28 HG SER 5 HG SER 5 5.363 -2.340 7.545 29 H GLY 6 H GLY 6 1.862 -2.241 9.951 30 HA2 GLY 6 HA3 GLY 6 -0.699 -3.553 9.381 31 HA3 GLY 6 HA2 GLY 6 -0.240 -2.806 10.904 32 H LEU 7 H LEU 7 0.616 -0.733 8.256 33 HA LEU 7 HA LEU 7 -1.776 0.989 8.824 34 HB2 LEU 7 HB2 LEU 7 1.067 1.574 7.806 35 HB3 LEU 7 HB3 LEU 7 -0.208 2.795 7.970 36 HG LEU 7 HG LEU 7 0.676 1.091 10.381 37 HD11 LEU 7 HD11 LEU 7 1.998 3.700 9.423 38 HD12 LEU 7 HD12 LEU 7 2.761 2.083 9.493 39 HD13 LEU 7 HD13 LEU 7 2.291 2.907 11.001 40 HD21 LEU 7 HD21 LEU 7 -0.125 3.066 11.693 41 HD22 LEU 7 HD22 LEU 7 -1.433 2.485 10.636 42 HD23 LEU 7 HD23 LEU 7 -0.505 3.943 10.186 43 H ARG 8 H ARG 8 -3.252 0.070 7.152 44 HA ARG 8 HA ARG 8 -2.312 -0.791 4.673 45 HB2 ARG 8 HB2 ARG 8 -5.045 0.408 5.351 46 HB3 ARG 8 HB3 ARG 8 -4.628 -0.171 3.716 47 HG2 ARG 8 HG2 ARG 8 -4.154 -2.442 4.532 48 HG3 ARG 8 HG3 ARG 8 -4.444 -1.930 6.218 49 HD2 ARG 8 HD2 ARG 8 -6.584 -1.689 4.035 50 HD3 ARG 8 HD3 ARG 8 -6.428 -3.178 4.940 51 HE ARG 8 HE ARG 8 -7.561 -0.631 5.854 52 HH11 ARG 8 HH11 ARG 8 -5.898 -3.619 7.060 53 HH12 ARG 8 HH12 ARG 8 -6.619 -3.442 8.650 54 HH21 ARG 8 HH21 ARG 8 -8.403 -0.514 7.929 55 HH22 ARG 8 HH22 ARG 8 -7.997 -1.732 9.139 56 H GLU 9 H GLU 9 -2.169 0.275 2.502 57 HA GLU 9 HA GLU 9 -1.070 2.919 2.826 58 HB2 GLU 9 HB2 GLU 9 -1.845 1.573 0.174 59 HB3 GLU 9 HB3 GLU 9 -0.892 3.064 0.373 60 HG2 GLU 9 HG2 GLU 9 0.924 1.760 1.535 61 HG3 GLU 9 HG3 GLU 9 -0.042 0.281 1.350 62 H SER 10 H SER 10 -4.088 1.481 1.373 63 HA SER 10 HA SER 10 -5.328 4.231 1.362 64 HB2 SER 10 HB2 SER 10 -6.479 3.330 -0.753 65 HB3 SER 10 HB3 SER 10 -4.706 3.484 -0.925 66 HG SER 10 HG SER 10 -5.998 1.015 -0.259 67 H MET 11 H MET 11 -7.798 4.030 1.292 68 HA MET 11 HA MET 11 -8.581 2.330 3.487 69 HB2 MET 11 HB2 MET 11 -10.790 3.269 3.294 70 HB3 MET 11 HB3 MET 11 -9.597 4.570 3.033 71 HG2 MET 11 HG2 MET 11 -10.016 4.313 0.489 72 HG3 MET 11 HG3 MET 11 -11.312 3.142 0.889 73 HE1 MET 11 HE1 MET 11 -11.900 5.624 -0.848 74 HE2 MET 11 HE2 MET 11 -13.315 4.699 -0.236 75 HE3 MET 11 HE3 MET 11 -13.265 6.485 -0.065 76 H SER 12 H SER 12 -8.848 1.996 -0.130 77 HA SER 12 HA SER 12 -10.777 -0.214 0.205 78 HB2 SER 12 HB2 SER 12 -10.693 -0.298 -2.283 79 HB3 SER 12 HB3 SER 12 -11.073 1.340 -1.653 80 HG SER 12 HG SER 12 -9.352 1.403 -3.293 81 H SER 13 H SER 13 -7.614 -0.010 -1.627 82 HA SER 13 HA SER 13 -7.381 -2.774 -1.854 83 HB2 SER 13 HB2 SER 13 -5.986 -1.022 -3.129 84 HB3 SER 13 HB3 SER 13 -4.981 -0.885 -1.662 85 HG SER 13 HG SER 13 -5.311 -3.271 -3.241 86 H GLN 14 H GLN 14 -5.368 -4.094 -0.997 87 HA GLN 14 HA GLN 14 -5.414 -3.897 2.009 88 HB2 GLN 14 HB2 GLN 14 -5.616 -6.295 2.084 89 HB3 GLN 14 HB3 GLN 14 -6.797 -5.703 0.897 90 HG2 GLN 14 HG2 GLN 14 -4.576 -6.240 -0.775 91 HG3 GLN 14 HG3 GLN 14 -4.351 -7.448 0.483 92 HE21 GLN 14 HE21 GLN 14 -5.842 -9.323 0.446 93 HE22 GLN 14 HE22 GLN 14 -7.073 -9.445 -0.755 94 H THR 15 H THR 15 -3.410 -2.470 0.608 95 HA THR 15 HA THR 15 -0.997 -4.231 1.067 96 HB THR 15 HB THR 15 -1.157 -3.648 -1.326 97 HG1 THR 15 HG1 THR 15 0.992 -3.547 -0.400 98 HG21 THR 15 HG21 THR 15 -2.526 -1.662 -1.435 99 HG22 THR 15 HG22 THR 15 -0.906 -1.187 -1.997 100 HG23 THR 15 HG23 THR 15 -1.436 -0.762 -0.347 101 H TYR 16 H TYR 16 0.980 -2.783 1.836 102 HA TYR 16 HA TYR 16 -0.067 -0.641 3.664 103 HB2 TYR 16 HB2 TYR 16 1.823 -2.921 4.427 104 HB3 TYR 16 HB3 TYR 16 1.212 -1.656 5.506 105 HD1 TYR 16 HD2 TYR 16 0.208 -4.622 3.390 106 HD2 TYR 16 HD1 TYR 16 -0.958 -2.005 6.590 107 HE1 TYR 16 HE2 TYR 16 -1.767 -6.018 3.811 108 HE2 TYR 16 HE1 TYR 16 -2.826 -3.513 7.141 109 HH TYR 16 HH TYR 16 -3.742 -6.316 5.126 110 H TRP 17 H TRP 17 1.749 0.808 4.482 111 HA TRP 17 HA TRP 17 3.680 1.224 2.297 112 HB2 TRP 17 HB2 TRP 17 3.243 2.682 4.970 113 HB3 TRP 17 HB3 TRP 17 4.483 3.163 3.799 114 HD1 TRP 17 HD1 TRP 17 0.962 3.901 4.579 115 HE1 TRP 17 HE1 TRP 17 -0.136 5.175 2.698 116 HE3 TRP 17 HE3 TRP 17 4.565 3.323 0.884 117 HZ2 TRP 17 HZ2 TRP 17 0.220 5.680 0.039 118 HZ3 TRP 17 HZ3 TRP 17 4.012 4.174 -1.395 119 HH2 TRP 17 HH2 TRP 17 1.862 5.323 -1.820 120 HA PRO 18 HA PRO 18 6.714 -1.263 4.591 121 HB2 PRO 18 HB2 PRO 18 9.120 -0.379 3.587 122 HB3 PRO 18 HB3 PRO 18 7.899 -1.123 2.505 123 HG2 PRO 18 HG2 PRO 18 8.288 1.873 3.010 124 HG3 PRO 18 HG3 PRO 18 8.344 1.044 1.420 125 HD2 PRO 18 HD2 PRO 18 6.037 2.215 2.322 126 HD3 PRO 18 HD3 PRO 18 5.932 0.619 1.474 Start of MODEL 8 1 H1 SER 1 H SER 1 2.435 -0.190 0.130 2 HA SER 1 HA SER 1 1.925 -0.197 -2.786 3 HB2 SER 1 HB2 SER 1 4.183 0.725 -3.338 4 HB3 SER 1 HB3 SER 1 3.139 1.941 -2.538 5 HG SER 1 HG SER 1 5.313 1.799 -1.540 6 H ILE 2 H ILE 2 4.887 -0.748 -0.729 7 HA ILE 2 HA ILE 2 4.662 -3.664 -1.401 8 HB ILE 2 HB ILE 2 7.154 -3.650 -1.902 9 HG12 ILE 2 HG12 ILE 2 8.222 -1.567 -2.716 10 HG13 ILE 2 HG13 ILE 2 6.791 -0.600 -2.289 11 HG21 ILE 2 HG21 ILE 2 5.385 -2.076 -3.865 12 HG22 ILE 2 HG22 ILE 2 6.877 -2.964 -4.274 13 HG23 ILE 2 HG23 ILE 2 5.445 -3.854 -3.705 14 HD11 ILE 2 HD11 ILE 2 7.232 -1.034 0.145 15 HD12 ILE 2 HD12 ILE 2 8.604 -2.105 -0.290 16 HD13 ILE 2 HD13 ILE 2 8.672 -0.356 -0.644 17 H GLY 3 H GLY 3 3.891 -2.290 1.026 18 HA2 GLY 3 HA3 GLY 3 6.084 -3.259 2.850 19 HA3 GLY 3 HA2 GLY 3 4.914 -1.974 3.209 20 H ASP 4 H ASP 4 5.199 -4.242 4.859 21 HA ASP 4 HA ASP 4 2.540 -5.461 4.492 22 HB2 ASP 4 HB2 ASP 4 5.142 -6.661 5.052 23 HB3 ASP 4 HB3 ASP 4 3.910 -7.139 6.217 24 H SER 5 H SER 5 3.709 -3.038 6.031 25 HA SER 5 HA SER 5 3.495 -3.511 8.780 26 HB2 SER 5 HB2 SER 5 4.014 -1.308 7.162 27 HB3 SER 5 HB3 SER 5 2.530 -0.871 8.009 28 HG SER 5 HG SER 5 3.595 -0.768 9.833 29 H GLY 6 H GLY 6 1.664 -1.905 9.911 30 HA2 GLY 6 HA3 GLY 6 -0.837 -3.306 9.287 31 HA3 GLY 6 HA2 GLY 6 -0.461 -2.493 10.799 32 H LEU 7 H LEU 7 0.395 -0.439 8.075 33 HA LEU 7 HA LEU 7 -2.134 1.111 8.517 34 HB2 LEU 7 HB2 LEU 7 0.650 2.053 7.627 35 HB3 LEU 7 HB3 LEU 7 -0.843 3.018 7.659 36 HG LEU 7 HG LEU 7 -0.998 2.580 10.186 37 HD11 LEU 7 HD11 LEU 7 0.522 0.620 10.462 38 HD12 LEU 7 HD12 LEU 7 1.189 2.000 11.346 39 HD13 LEU 7 HD13 LEU 7 1.888 1.543 9.769 40 HD21 LEU 7 HD21 LEU 7 1.467 4.105 9.139 41 HD22 LEU 7 HD22 LEU 7 0.693 4.338 10.734 42 HD23 LEU 7 HD23 LEU 7 -0.200 4.743 9.249 43 H ARG 8 H ARG 8 -3.509 0.397 6.725 44 HA ARG 8 HA ARG 8 -2.309 -0.732 4.405 45 HB2 ARG 8 HB2 ARG 8 -5.107 0.471 4.638 46 HB3 ARG 8 HB3 ARG 8 -4.514 -0.457 3.231 47 HG2 ARG 8 HG2 ARG 8 -4.123 -2.458 4.668 48 HG3 ARG 8 HG3 ARG 8 -4.660 -1.542 6.087 49 HD2 ARG 8 HD2 ARG 8 -6.865 -1.242 4.398 50 HD3 ARG 8 HD3 ARG 8 -6.248 -2.839 3.886 51 HE ARG 8 HE ARG 8 -6.472 -2.684 6.780 52 HH11 ARG 8 HH11 ARG 8 -8.521 -2.952 3.827 53 HH12 ARG 8 HH12 ARG 8 -9.824 -3.713 4.729 54 HH21 ARG 8 HH21 ARG 8 -8.202 -3.618 7.843 55 HH22 ARG 8 HH22 ARG 8 -9.657 -4.078 6.956 56 H GLU 9 H GLU 9 -2.038 0.271 2.194 57 HA GLU 9 HA GLU 9 -1.081 2.973 2.466 58 HB2 GLU 9 HB2 GLU 9 -1.694 1.473 -0.147 59 HB3 GLU 9 HB3 GLU 9 -0.810 3.016 0.009 60 HG2 GLU 9 HG2 GLU 9 1.008 1.841 1.313 61 HG3 GLU 9 HG3 GLU 9 0.127 0.314 1.139 62 H SER 10 H SER 10 -3.994 1.339 1.014 63 HA SER 10 HA SER 10 -5.358 4.020 0.849 64 HB2 SER 10 HB2 SER 10 -6.372 2.991 -1.279 65 HB3 SER 10 HB3 SER 10 -4.606 3.229 -1.385 66 HG SER 10 HG SER 10 -5.800 0.714 -0.701 67 H MET 11 H MET 11 -7.825 3.645 0.666 68 HA MET 11 HA MET 11 -8.614 1.928 2.885 69 HB2 MET 11 HB2 MET 11 -10.242 3.549 0.846 70 HB3 MET 11 HB3 MET 11 -10.998 2.588 2.139 71 HG2 MET 11 HG2 MET 11 -8.949 4.817 2.729 72 HG3 MET 11 HG3 MET 11 -10.725 5.045 2.733 73 HE1 MET 11 HE1 MET 11 -10.933 5.798 5.251 74 HE2 MET 11 HE2 MET 11 -10.142 4.935 6.610 75 HE3 MET 11 HE3 MET 11 -9.139 5.765 5.374 76 H SER 12 H SER 12 -8.713 1.590 -0.753 77 HA SER 12 HA SER 12 -10.499 -0.738 -0.434 78 HB2 SER 12 HB2 SER 12 -10.912 0.818 -2.249 79 HB3 SER 12 HB3 SER 12 -9.318 0.469 -2.973 80 HG SER 12 HG SER 12 -11.033 -0.925 -3.859 81 H SER 13 H SER 13 -7.266 -0.405 -2.202 82 HA SER 13 HA SER 13 -6.989 -3.212 -2.305 83 HB2 SER 13 HB2 SER 13 -5.740 -1.645 -3.779 84 HB3 SER 13 HB3 SER 13 -4.740 -1.119 -2.400 85 HG SER 13 HG SER 13 -3.930 -3.365 -2.378 86 H GLN 14 H GLN 14 -5.487 -4.687 -1.105 87 HA GLN 14 HA GLN 14 -5.218 -3.833 1.764 88 HB2 GLN 14 HB2 GLN 14 -5.219 -6.628 0.506 89 HB3 GLN 14 HB3 GLN 14 -5.194 -6.240 2.252 90 HG2 GLN 14 HG2 GLN 14 -7.434 -5.097 2.002 91 HG3 GLN 14 HG3 GLN 14 -7.490 -5.592 0.290 92 HE21 GLN 14 HE21 GLN 14 -8.980 -6.543 3.066 93 HE22 GLN 14 HE22 GLN 14 -8.986 -8.245 2.804 94 H THR 15 H THR 15 -3.287 -2.532 0.619 95 HA THR 15 HA THR 15 -0.855 -4.277 0.979 96 HB THR 15 HB THR 15 -1.188 -3.806 -1.432 97 HG1 THR 15 HG1 THR 15 1.051 -2.342 -0.415 98 HG21 THR 15 HG21 THR 15 -1.049 -0.849 -0.629 99 HG22 THR 15 HG22 THR 15 -2.414 -1.654 -1.437 100 HG23 THR 15 HG23 THR 15 -0.864 -1.452 -2.298 101 H TYR 16 H TYR 16 1.073 -2.913 1.863 102 HA TYR 16 HA TYR 16 -0.036 -0.644 3.499 103 HB2 TYR 16 HB2 TYR 16 1.851 -2.853 4.429 104 HB3 TYR 16 HB3 TYR 16 1.184 -1.555 5.427 105 HD1 TYR 16 HD1 TYR 16 0.317 -4.639 3.418 106 HD2 TYR 16 HD2 TYR 16 -1.026 -1.899 6.437 107 HE1 TYR 16 HE1 TYR 16 -1.712 -5.992 3.753 108 HE2 TYR 16 HE2 TYR 16 -2.926 -3.366 6.934 109 HH TYR 16 HH TYR 16 -4.294 -5.141 6.054 110 H TRP 17 H TRP 17 1.707 0.869 4.310 111 HA TRP 17 HA TRP 17 3.699 1.263 2.176 112 HB2 TRP 17 HB2 TRP 17 3.135 2.792 4.781 113 HB3 TRP 17 HB3 TRP 17 4.408 3.263 3.647 114 HD1 TRP 17 HD1 TRP 17 0.910 4.052 4.313 115 HE1 TRP 17 HE1 TRP 17 -0.138 5.276 2.373 116 HE3 TRP 17 HE3 TRP 17 4.474 3.116 0.643 117 HZ2 TRP 17 HZ2 TRP 17 0.284 5.725 -0.278 118 HZ3 TRP 17 HZ3 TRP 17 4.067 4.107 -1.609 119 HH2 TRP 17 HH2 TRP 17 1.968 5.323 -2.091 120 HA PRO 18 HA PRO 18 6.724 -1.040 4.652 121 HB2 PRO 18 HB2 PRO 18 9.136 -0.112 3.721 122 HB3 PRO 18 HB3 PRO 18 7.988 -0.920 2.605 123 HG2 PRO 18 HG2 PRO 18 8.251 2.088 3.072 124 HG3 PRO 18 HG3 PRO 18 8.406 1.240 1.496 125 HD2 PRO 18 HD2 PRO 18 6.019 2.345 2.251 126 HD3 PRO 18 HD3 PRO 18 6.008 0.725 1.449 Start of MODEL 9 1 H1 SER 1 H SER 1 2.195 -0.420 0.016 2 HA SER 1 HA SER 1 1.815 -0.157 -2.863 3 HB2 SER 1 HB2 SER 1 4.127 0.747 -3.345 4 HB3 SER 1 HB3 SER 1 3.066 1.947 -2.561 5 HG SER 1 HG SER 1 4.160 1.399 -0.545 6 H ILE 2 H ILE 2 4.819 -0.848 -0.892 7 HA ILE 2 HA ILE 2 4.486 -3.736 -1.621 8 HB ILE 2 HB ILE 2 6.950 -3.802 -2.150 9 HG12 ILE 2 HG12 ILE 2 8.127 -1.735 -2.856 10 HG13 ILE 2 HG13 ILE 2 6.749 -0.715 -2.387 11 HG21 ILE 2 HG21 ILE 2 5.234 -3.827 -3.943 12 HG22 ILE 2 HG22 ILE 2 5.259 -2.040 -4.017 13 HG23 ILE 2 HG23 ILE 2 6.706 -2.979 -4.481 14 HD11 ILE 2 HD11 ILE 2 8.458 -2.403 -0.447 15 HD12 ILE 2 HD12 ILE 2 8.639 -0.649 -0.738 16 HD13 ILE 2 HD13 ILE 2 7.158 -1.261 0.029 17 H GLY 3 H GLY 3 3.861 -2.272 0.896 18 HA2 GLY 3 HA3 GLY 3 6.039 -3.414 2.633 19 HA3 GLY 3 HA2 GLY 3 4.910 -2.110 3.060 20 H ASP 4 H ASP 4 5.150 -4.426 4.645 21 HA ASP 4 HA ASP 4 2.455 -5.563 4.276 22 HB2 ASP 4 HB2 ASP 4 4.641 -7.053 4.116 23 HB3 ASP 4 HB3 ASP 4 4.519 -7.012 5.873 24 H SER 5 H SER 5 3.703 -3.216 5.868 25 HA SER 5 HA SER 5 3.510 -3.761 8.605 26 HB2 SER 5 HB2 SER 5 4.019 -1.511 7.017 27 HB3 SER 5 HB3 SER 5 2.603 -1.080 7.975 28 HG SER 5 HG SER 5 3.764 -1.571 9.840 29 H GLY 6 H GLY 6 1.733 -2.141 9.802 30 HA2 GLY 6 HA3 GLY 6 -0.809 -3.464 9.173 31 HA3 GLY 6 HA2 GLY 6 -0.394 -2.702 10.701 32 H LEU 7 H LEU 7 0.471 -0.593 8.029 33 HA LEU 7 HA LEU 7 -2.047 0.991 8.485 34 HB2 LEU 7 HB2 LEU 7 0.841 1.760 7.833 35 HB3 LEU 7 HB3 LEU 7 -0.507 2.828 7.417 36 HG LEU 7 HG LEU 7 0.679 3.375 9.590 37 HD11 LEU 7 HD11 LEU 7 -1.353 3.998 10.830 38 HD12 LEU 7 HD12 LEU 7 -2.350 2.870 9.880 39 HD13 LEU 7 HD13 LEU 7 -1.589 4.276 9.086 40 HD21 LEU 7 HD21 LEU 7 0.953 0.990 10.423 41 HD22 LEU 7 HD22 LEU 7 -0.806 0.942 10.754 42 HD23 LEU 7 HD23 LEU 7 0.230 2.096 11.627 43 H ARG 8 H ARG 8 -3.403 0.113 6.745 44 HA ARG 8 HA ARG 8 -2.232 -0.760 4.358 45 HB2 ARG 8 HB2 ARG 8 -5.087 0.212 4.869 46 HB3 ARG 8 HB3 ARG 8 -4.545 -0.301 3.250 47 HG2 ARG 8 HG2 ARG 8 -3.917 -2.517 4.014 48 HG3 ARG 8 HG3 ARG 8 -4.259 -2.103 5.716 49 HD2 ARG 8 HD2 ARG 8 -6.430 -2.041 3.549 50 HD3 ARG 8 HD3 ARG 8 -5.995 -3.509 4.490 51 HE ARG 8 HE ARG 8 -6.489 -1.387 6.339 52 HH11 ARG 8 HH11 ARG 8 -8.264 -3.520 4.042 53 HH12 ARG 8 HH12 ARG 8 -9.698 -3.535 5.059 54 HH21 ARG 8 HH21 ARG 8 -8.370 -1.464 7.567 55 HH22 ARG 8 HH22 ARG 8 -9.769 -2.386 7.010 56 H GLU 9 H GLU 9 -2.063 0.296 2.173 57 HA GLU 9 HA GLU 9 -1.012 2.947 2.548 58 HB2 GLU 9 HB2 GLU 9 -1.681 1.566 -0.129 59 HB3 GLU 9 HB3 GLU 9 -0.781 3.091 0.086 60 HG2 GLU 9 HG2 GLU 9 1.034 1.835 1.317 61 HG3 GLU 9 HG3 GLU 9 0.103 0.334 1.111 62 H SER 10 H SER 10 -3.954 1.508 0.973 63 HA SER 10 HA SER 10 -5.239 4.237 0.986 64 HB2 SER 10 HB2 SER 10 -6.333 3.344 -1.175 65 HB3 SER 10 HB3 SER 10 -4.561 3.531 -1.295 66 HG SER 10 HG SER 10 -5.835 1.031 -0.700 67 H MET 11 H MET 11 -7.763 3.892 0.784 68 HA MET 11 HA MET 11 -8.511 2.152 3.000 69 HB2 MET 11 HB2 MET 11 -10.247 3.705 0.987 70 HB3 MET 11 HB3 MET 11 -10.878 2.824 2.401 71 HG2 MET 11 HG2 MET 11 -8.894 5.196 2.596 72 HG3 MET 11 HG3 MET 11 -10.662 5.292 2.832 73 HE1 MET 11 HE1 MET 11 -11.030 5.944 5.349 74 HE2 MET 11 HE2 MET 11 -9.776 5.575 6.575 75 HE3 MET 11 HE3 MET 11 -9.339 6.502 5.102 76 H SER 12 H SER 12 -8.987 2.053 -0.653 77 HA SER 12 HA SER 12 -10.689 -0.258 -0.374 78 HB2 SER 12 HB2 SER 12 -11.017 1.255 -2.247 79 HB3 SER 12 HB3 SER 12 -9.397 0.906 -2.890 80 HG SER 12 HG SER 12 -11.481 -1.059 -2.633 81 H SER 13 H SER 13 -7.399 -0.071 -2.075 82 HA SER 13 HA SER 13 -7.261 -2.877 -2.255 83 HB2 SER 13 HB2 SER 13 -5.835 -1.357 -3.612 84 HB3 SER 13 HB3 SER 13 -4.890 -0.937 -2.145 85 HG SER 13 HG SER 13 -3.910 -2.747 -3.356 86 H GLN 14 H GLN 14 -5.432 -4.277 -1.277 87 HA GLN 14 HA GLN 14 -5.308 -3.787 1.700 88 HB2 GLN 14 HB2 GLN 14 -6.844 -5.640 0.919 89 HB3 GLN 14 HB3 GLN 14 -5.439 -6.432 0.154 90 HG2 GLN 14 HG2 GLN 14 -4.326 -6.509 2.477 91 HG3 GLN 14 HG3 GLN 14 -5.825 -5.832 3.163 92 HE21 GLN 14 HE21 GLN 14 -5.082 -8.201 4.264 93 HE22 GLN 14 HE22 GLN 14 -6.033 -9.504 3.647 94 H THR 15 H THR 15 -3.351 -2.449 0.836 95 HA THR 15 HA THR 15 -0.994 -4.272 1.046 96 HB THR 15 HB THR 15 -1.198 -3.865 -1.376 97 HG1 THR 15 HG1 THR 15 0.973 -2.916 -1.510 98 HG21 THR 15 HG21 THR 15 -2.493 -1.716 -1.370 99 HG22 THR 15 HG22 THR 15 -0.986 -1.529 -2.309 100 HG23 THR 15 HG23 THR 15 -1.095 -0.865 -0.657 101 H TYR 16 H TYR 16 1.064 -2.758 1.599 102 HA TYR 16 HA TYR 16 0.020 -0.591 3.414 103 HB2 TYR 16 HB2 TYR 16 1.909 -2.841 4.243 104 HB3 TYR 16 HB3 TYR 16 1.235 -1.589 5.297 105 HD1 TYR 16 HD2 TYR 16 0.379 -4.584 3.161 106 HD2 TYR 16 HD1 TYR 16 -0.956 -2.001 6.323 107 HE1 TYR 16 HE2 TYR 16 -1.625 -5.987 3.474 108 HE2 TYR 16 HE1 TYR 16 -2.744 -3.594 6.867 109 HH TYR 16 HH TYR 16 -4.079 -5.396 5.996 110 H TRP 17 H TRP 17 1.773 0.876 4.245 111 HA TRP 17 HA TRP 17 3.791 1.274 2.146 112 HB2 TRP 17 HB2 TRP 17 3.303 2.723 4.820 113 HB3 TRP 17 HB3 TRP 17 4.558 3.208 3.665 114 HD1 TRP 17 HD1 TRP 17 1.011 3.934 4.399 115 HE1 TRP 17 HE1 TRP 17 -0.060 5.205 2.502 116 HE3 TRP 17 HE3 TRP 17 4.690 3.389 0.779 117 HZ2 TRP 17 HZ2 TRP 17 0.346 5.717 -0.154 118 HZ3 TRP 17 HZ3 TRP 17 4.174 4.236 -1.513 119 HH2 TRP 17 HH2 TRP 17 2.024 5.368 -1.980 120 HA PRO 18 HA PRO 18 6.685 -1.255 4.607 121 HB2 PRO 18 HB2 PRO 18 9.134 -0.479 3.642 122 HB3 PRO 18 HB3 PRO 18 7.924 -1.200 2.533 123 HG2 PRO 18 HG2 PRO 18 8.373 1.792 3.027 124 HG3 PRO 18 HG3 PRO 18 8.476 0.949 1.444 125 HD2 PRO 18 HD2 PRO 18 6.159 2.186 2.220 126 HD3 PRO 18 HD3 PRO 18 6.055 0.574 1.408 Start of MODEL 10 1 H1 SER 1 H SER 1 2.011 -0.582 0.067 2 HA SER 1 HA SER 1 1.656 -0.391 -2.807 3 HB2 SER 1 HB2 SER 1 3.995 0.473 -3.287 4 HB3 SER 1 HB3 SER 1 2.919 1.707 -2.585 5 HG SER 1 HG SER 1 3.987 1.244 -0.522 6 H ILE 2 H ILE 2 4.687 -1.013 -0.836 7 HA ILE 2 HA ILE 2 4.337 -3.929 -1.419 8 HB ILE 2 HB ILE 2 6.825 -4.002 -1.924 9 HG12 ILE 2 HG12 ILE 2 7.996 -1.987 -2.715 10 HG13 ILE 2 HG13 ILE 2 6.611 -0.945 -2.334 11 HG21 ILE 2 HG21 ILE 2 6.588 -3.300 -4.295 12 HG22 ILE 2 HG22 ILE 2 5.121 -4.137 -3.737 13 HG23 ILE 2 HG23 ILE 2 5.128 -2.358 -3.890 14 HD11 ILE 2 HD11 ILE 2 6.974 -1.347 0.117 15 HD12 ILE 2 HD12 ILE 2 8.283 -2.510 -0.257 16 HD13 ILE 2 HD13 ILE 2 8.472 -0.781 -0.645 17 H GLY 3 H GLY 3 3.731 -2.301 1.030 18 HA2 GLY 3 HA3 GLY 3 5.899 -3.365 2.810 19 HA3 GLY 3 HA2 GLY 3 4.756 -2.062 3.184 20 H ASP 4 H ASP 4 5.027 -4.327 4.846 21 HA ASP 4 HA ASP 4 2.331 -5.480 4.542 22 HB2 ASP 4 HB2 ASP 4 3.274 -7.388 5.960 23 HB3 ASP 4 HB3 ASP 4 3.827 -7.291 4.291 24 H SER 5 H SER 5 3.589 -3.073 6.033 25 HA SER 5 HA SER 5 3.418 -3.511 8.790 26 HB2 SER 5 HB2 SER 5 4.138 -1.397 7.281 27 HB3 SER 5 HB3 SER 5 2.530 -0.867 7.775 28 HG SER 5 HG SER 5 4.806 -0.934 9.206 29 H GLY 6 H GLY 6 1.649 -1.848 9.938 30 HA2 GLY 6 HA3 GLY 6 -0.897 -3.196 9.380 31 HA3 GLY 6 HA2 GLY 6 -0.471 -2.375 10.875 32 H LEU 7 H LEU 7 0.408 -0.357 8.154 33 HA LEU 7 HA LEU 7 -2.069 1.274 8.609 34 HB2 LEU 7 HB2 LEU 7 0.728 2.090 7.628 35 HB3 LEU 7 HB3 LEU 7 -0.731 3.105 7.660 36 HG LEU 7 HG LEU 7 -0.843 2.788 10.195 37 HD11 LEU 7 HD11 LEU 7 0.499 0.726 10.554 38 HD12 LEU 7 HD12 LEU 7 1.322 2.071 11.351 39 HD13 LEU 7 HD13 LEU 7 1.925 1.477 9.780 40 HD21 LEU 7 HD21 LEU 7 0.132 4.851 9.164 41 HD22 LEU 7 HD22 LEU 7 1.733 4.059 9.077 42 HD23 LEU 7 HD23 LEU 7 0.993 4.427 10.663 43 H ARG 8 H ARG 8 -3.525 0.670 6.842 44 HA ARG 8 HA ARG 8 -2.427 -0.608 4.544 45 HB2 ARG 8 HB2 ARG 8 -5.169 0.741 4.729 46 HB3 ARG 8 HB3 ARG 8 -4.624 -0.336 3.416 47 HG2 ARG 8 HG2 ARG 8 -4.312 -2.211 5.088 48 HG3 ARG 8 HG3 ARG 8 -4.935 -1.140 6.373 49 HD2 ARG 8 HD2 ARG 8 -7.086 -0.918 4.995 50 HD3 ARG 8 HD3 ARG 8 -6.426 -2.196 3.915 51 HE ARG 8 HE ARG 8 -6.312 -3.095 6.654 52 HH11 ARG 8 HH11 ARG 8 -8.751 -2.385 4.100 53 HH12 ARG 8 HH12 ARG 8 -9.915 -3.496 4.810 54 HH21 ARG 8 HH21 ARG 8 -7.877 -4.472 7.496 55 HH22 ARG 8 HH22 ARG 8 -9.437 -4.655 6.691 56 H GLU 9 H GLU 9 -2.234 0.299 2.254 57 HA GLU 9 HA GLU 9 -1.168 2.979 2.400 58 HB2 GLU 9 HB2 GLU 9 -1.845 1.401 -0.143 59 HB3 GLU 9 HB3 GLU 9 -0.963 2.945 -0.059 60 HG2 GLU 9 HG2 GLU 9 0.873 1.821 1.277 61 HG3 GLU 9 HG3 GLU 9 -0.020 0.293 1.172 62 H SER 10 H SER 10 -4.187 1.408 1.076 63 HA SER 10 HA SER 10 -5.453 4.117 1.038 64 HB2 SER 10 HB2 SER 10 -6.522 3.502 -1.153 65 HB3 SER 10 HB3 SER 10 -4.753 3.654 -1.299 66 HG SER 10 HG SER 10 -4.688 1.304 -1.271 67 H MET 11 H MET 11 -7.897 3.913 0.868 68 HA MET 11 HA MET 11 -8.698 2.243 3.056 69 HB2 MET 11 HB2 MET 11 -10.371 3.730 0.942 70 HB3 MET 11 HB3 MET 11 -11.072 2.929 2.369 71 HG2 MET 11 HG2 MET 11 -8.982 5.204 2.592 72 HG3 MET 11 HG3 MET 11 -10.752 5.432 2.666 73 HE1 MET 11 HE1 MET 11 -8.775 6.373 5.061 74 HE2 MET 11 HE2 MET 11 -10.555 6.610 4.997 75 HE3 MET 11 HE3 MET 11 -9.801 5.866 6.443 76 H SER 12 H SER 12 -9.082 1.905 -0.570 77 HA SER 12 HA SER 12 -10.841 -0.367 -0.214 78 HB2 SER 12 HB2 SER 12 -9.373 0.565 -2.744 79 HB3 SER 12 HB3 SER 12 -10.758 -0.558 -2.674 80 HG SER 12 HG SER 12 -11.967 1.305 -1.762 81 H SER 13 H SER 13 -7.331 -0.085 -1.331 82 HA SER 13 HA SER 13 -7.302 -2.907 -1.915 83 HB2 SER 13 HB2 SER 13 -5.794 -1.138 -3.024 84 HB3 SER 13 HB3 SER 13 -4.882 -1.098 -1.491 85 HG SER 13 HG SER 13 -5.171 -3.407 -3.189 86 H GLN 14 H GLN 14 -5.340 -4.307 -0.949 87 HA GLN 14 HA GLN 14 -5.464 -4.088 2.056 88 HB2 GLN 14 HB2 GLN 14 -5.292 -6.516 2.109 89 HB3 GLN 14 HB3 GLN 14 -6.735 -6.056 1.185 90 HG2 GLN 14 HG2 GLN 14 -5.882 -6.900 -0.850 91 HG3 GLN 14 HG3 GLN 14 -4.208 -6.487 -0.481 92 HE21 GLN 14 HE21 GLN 14 -6.776 -8.942 0.320 93 HE22 GLN 14 HE22 GLN 14 -5.628 -10.150 0.773 94 H THR 15 H THR 15 -3.469 -2.591 0.631 95 HA THR 15 HA THR 15 -1.041 -4.284 1.213 96 HB THR 15 HB THR 15 -1.288 -3.922 -1.235 97 HG1 THR 15 HG1 THR 15 0.888 -3.926 -0.338 98 HG21 THR 15 HG21 THR 15 -1.173 -0.940 -0.533 99 HG22 THR 15 HG22 THR 15 -2.498 -1.775 -1.379 100 HG23 THR 15 HG23 THR 15 -0.911 -1.604 -2.165 101 H TYR 16 H TYR 16 0.942 -2.753 1.797 102 HA TYR 16 HA TYR 16 -0.120 -0.534 3.521 103 HB2 TYR 16 HB2 TYR 16 1.766 -2.778 4.410 104 HB3 TYR 16 HB3 TYR 16 1.154 -1.466 5.426 105 HD1 TYR 16 HD1 TYR 16 0.174 -4.541 3.462 106 HD2 TYR 16 HD2 TYR 16 -1.043 -1.747 6.483 107 HE1 TYR 16 HE1 TYR 16 -1.797 -5.934 3.971 108 HE2 TYR 16 HE2 TYR 16 -2.928 -3.190 7.085 109 HH TYR 16 HH TYR 16 -4.184 -5.143 6.507 110 H TRP 17 H TRP 17 1.697 0.921 4.328 111 HA TRP 17 HA TRP 17 3.664 1.261 2.162 112 HB2 TRP 17 HB2 TRP 17 3.178 2.822 4.766 113 HB3 TRP 17 HB3 TRP 17 4.431 3.263 3.595 114 HD1 TRP 17 HD1 TRP 17 0.891 4.012 4.288 115 HE1 TRP 17 HE1 TRP 17 -0.181 5.197 2.339 116 HE3 TRP 17 HE3 TRP 17 4.558 3.298 0.680 117 HZ2 TRP 17 HZ2 TRP 17 0.210 5.574 -0.342 118 HZ3 TRP 17 HZ3 TRP 17 4.035 4.040 -1.644 119 HH2 TRP 17 HH2 TRP 17 1.882 5.145 -2.156 120 HA PRO 18 HA PRO 18 6.645 -1.148 4.596 121 HB2 PRO 18 HB2 PRO 18 9.068 -0.326 3.581 122 HB3 PRO 18 HB3 PRO 18 7.857 -1.095 2.509 123 HG2 PRO 18 HG2 PRO 18 8.255 1.916 2.935 124 HG3 PRO 18 HG3 PRO 18 8.344 1.054 1.367 125 HD2 PRO 18 HD2 PRO 18 6.027 2.250 2.188 126 HD3 PRO 18 HD3 PRO 18 5.922 0.628 1.397 Start of MODEL 11 1 H1 SER 1 H SER 1 2.159 -0.310 0.108 2 HA SER 1 HA SER 1 1.603 0.028 -2.749 3 HB2 SER 1 HB2 SER 1 3.891 0.978 -3.280 4 HB3 SER 1 HB3 SER 1 2.884 2.135 -2.359 5 HG SER 1 HG SER 1 5.068 1.880 -1.420 6 H ILE 2 H ILE 2 4.643 -0.710 -0.870 7 HA ILE 2 HA ILE 2 4.367 -3.568 -1.741 8 HB ILE 2 HB ILE 2 6.814 -3.545 -2.353 9 HG12 ILE 2 HG12 ILE 2 7.898 -1.414 -3.027 10 HG13 ILE 2 HG13 ILE 2 6.508 -0.461 -2.461 11 HG21 ILE 2 HG21 ILE 2 5.035 -3.554 -4.088 12 HG22 ILE 2 HG22 ILE 2 5.016 -1.765 -4.100 13 HG23 ILE 2 HG23 ILE 2 6.465 -2.652 -4.647 14 HD11 ILE 2 HD11 ILE 2 8.462 -0.397 -0.882 15 HD12 ILE 2 HD12 ILE 2 7.037 -1.098 -0.086 16 HD13 ILE 2 HD13 ILE 2 8.355 -2.166 -0.668 17 H GLY 3 H GLY 3 3.746 -2.292 0.833 18 HA2 GLY 3 HA3 GLY 3 5.998 -3.445 2.465 19 HA3 GLY 3 HA2 GLY 3 4.881 -2.161 2.970 20 H ASP 4 H ASP 4 5.187 -4.561 4.436 21 HA ASP 4 HA ASP 4 2.481 -5.685 4.112 22 HB2 ASP 4 HB2 ASP 4 5.092 -6.982 4.744 23 HB3 ASP 4 HB3 ASP 4 3.639 -7.636 5.495 24 H SER 5 H SER 5 3.790 -3.421 5.774 25 HA SER 5 HA SER 5 3.701 -4.106 8.485 26 HB2 SER 5 HB2 SER 5 2.932 -1.400 7.386 27 HB3 SER 5 HB3 SER 5 3.677 -1.767 8.941 28 HG SER 5 HG SER 5 5.154 -0.964 7.327 29 H GLY 6 H GLY 6 1.972 -2.552 9.830 30 HA2 GLY 6 HA3 GLY 6 -0.594 -3.842 9.230 31 HA3 GLY 6 HA2 GLY 6 -0.121 -3.160 10.779 32 H LEU 7 H LEU 7 0.716 -0.949 8.232 33 HA LEU 7 HA LEU 7 -1.742 0.686 8.818 34 HB2 LEU 7 HB2 LEU 7 1.105 1.390 7.928 35 HB3 LEU 7 HB3 LEU 7 -0.238 2.533 7.906 36 HG LEU 7 HG LEU 7 0.005 1.121 10.552 37 HD11 LEU 7 HD11 LEU 7 2.419 1.145 10.041 38 HD12 LEU 7 HD12 LEU 7 2.040 2.316 11.333 39 HD13 LEU 7 HD13 LEU 7 2.352 2.896 9.670 40 HD21 LEU 7 HD21 LEU 7 -1.445 3.151 10.130 41 HD22 LEU 7 HD22 LEU 7 0.027 4.118 9.818 42 HD23 LEU 7 HD23 LEU 7 -0.260 3.426 11.438 43 H ARG 8 H ARG 8 -3.228 0.018 7.090 44 HA ARG 8 HA ARG 8 -2.242 -0.895 4.605 45 HB2 ARG 8 HB2 ARG 8 -4.963 0.362 5.218 46 HB3 ARG 8 HB3 ARG 8 -4.537 -0.360 3.647 47 HG2 ARG 8 HG2 ARG 8 -4.111 -2.556 4.644 48 HG3 ARG 8 HG3 ARG 8 -4.415 -1.946 6.292 49 HD2 ARG 8 HD2 ARG 8 -6.511 -1.973 4.052 50 HD3 ARG 8 HD3 ARG 8 -6.317 -3.238 5.315 51 HE ARG 8 HE ARG 8 -6.581 -0.731 6.643 52 HH11 ARG 8 HH11 ARG 8 -8.558 -3.006 4.670 53 HH12 ARG 8 HH12 ARG 8 -10.043 -2.519 5.476 54 HH21 ARG 8 HH21 ARG 8 -8.535 -0.165 7.599 55 HH22 ARG 8 HH22 ARG 8 -10.038 -0.943 7.097 56 H GLU 9 H GLU 9 -2.134 0.251 2.447 57 HA GLU 9 HA GLU 9 -1.028 2.888 2.854 58 HB2 GLU 9 HB2 GLU 9 -1.812 1.620 0.170 59 HB3 GLU 9 HB3 GLU 9 -0.871 3.114 0.405 60 HG2 GLU 9 HG2 GLU 9 0.958 1.791 1.539 61 HG3 GLU 9 HG3 GLU 9 0.015 0.308 1.294 62 H SER 10 H SER 10 -4.099 1.517 1.437 63 HA SER 10 HA SER 10 -5.325 4.231 1.733 64 HB2 SER 10 HB2 SER 10 -6.421 3.947 -0.466 65 HB3 SER 10 HB3 SER 10 -4.649 3.943 -0.680 66 HG SER 10 HG SER 10 -4.837 1.582 -0.854 67 H MET 11 H MET 11 -7.748 4.138 1.749 68 HA MET 11 HA MET 11 -8.550 2.226 3.624 69 HB2 MET 11 HB2 MET 11 -10.876 2.965 3.249 70 HB3 MET 11 HB3 MET 11 -9.795 4.382 3.256 71 HG2 MET 11 HG2 MET 11 -9.914 4.479 0.724 72 HG3 MET 11 HG3 MET 11 -10.940 3.010 0.731 73 HE1 MET 11 HE1 MET 11 -12.978 3.837 -0.489 74 HE2 MET 11 HE2 MET 11 -13.720 5.445 -0.222 75 HE3 MET 11 HE3 MET 11 -12.043 5.327 -0.852 76 H SER 12 H SER 12 -8.716 2.037 -0.007 77 HA SER 12 HA SER 12 -10.687 -0.137 0.205 78 HB2 SER 12 HB2 SER 12 -10.905 1.580 -1.546 79 HB3 SER 12 HB3 SER 12 -9.348 1.069 -2.268 80 HG SER 12 HG SER 12 -11.210 -0.058 -3.245 81 H SER 13 H SER 13 -7.269 0.180 -1.164 82 HA SER 13 HA SER 13 -7.296 -2.629 -1.861 83 HB2 SER 13 HB2 SER 13 -5.873 -0.859 -3.023 84 HB3 SER 13 HB3 SER 13 -4.870 -0.794 -1.548 85 HG SER 13 HG SER 13 -5.224 -3.115 -3.220 86 H GLN 14 H GLN 14 -5.391 -4.134 -1.000 87 HA GLN 14 HA GLN 14 -5.244 -3.827 1.997 88 HB2 GLN 14 HB2 GLN 14 -6.762 -5.697 0.979 89 HB3 GLN 14 HB3 GLN 14 -5.254 -6.434 0.392 90 HG2 GLN 14 HG2 GLN 14 -4.467 -6.254 2.945 91 HG3 GLN 14 HG3 GLN 14 -6.173 -5.933 3.300 92 HE21 GLN 14 HE21 GLN 14 -3.877 -8.338 1.790 93 HE22 GLN 14 HE22 GLN 14 -4.904 -9.701 2.032 94 H THR 15 H THR 15 -3.357 -2.441 0.625 95 HA THR 15 HA THR 15 -0.939 -4.226 0.880 96 HB THR 15 HB THR 15 -1.133 -3.536 -1.499 97 HG1 THR 15 HG1 THR 15 1.040 -3.455 -0.579 98 HG21 THR 15 HG21 THR 15 -2.520 -1.567 -1.462 99 HG22 THR 15 HG22 THR 15 -0.921 -1.064 -2.067 100 HG23 THR 15 HG23 THR 15 -1.400 -0.694 -0.388 101 H TYR 16 H TYR 16 1.030 -2.820 1.707 102 HA TYR 16 HA TYR 16 -0.020 -0.735 3.595 103 HB2 TYR 16 HB2 TYR 16 1.869 -3.042 4.290 104 HB3 TYR 16 HB3 TYR 16 1.259 -1.819 5.411 105 HD1 TYR 16 HD1 TYR 16 0.234 -4.701 3.186 106 HD2 TYR 16 HD2 TYR 16 -0.905 -2.209 6.492 107 HE1 TYR 16 HE1 TYR 16 -1.729 -6.123 3.583 108 HE2 TYR 16 HE2 TYR 16 -2.778 -3.725 6.993 109 HH TYR 16 HH TYR 16 -3.414 -6.716 5.214 110 H TRP 17 H TRP 17 1.781 0.673 4.483 111 HA TRP 17 HA TRP 17 3.707 1.167 2.315 112 HB2 TRP 17 HB2 TRP 17 3.298 2.520 5.044 113 HB3 TRP 17 HB3 TRP 17 4.518 3.055 3.875 114 HD1 TRP 17 HD1 TRP 17 1.063 3.834 4.776 115 HE1 TRP 17 HE1 TRP 17 -0.065 5.190 2.978 116 HE3 TRP 17 HE3 TRP 17 4.424 3.105 0.873 117 HZ2 TRP 17 HZ2 TRP 17 0.232 5.813 0.340 118 HZ3 TRP 17 HZ3 TRP 17 3.902 4.224 -1.297 119 HH2 TRP 17 HH2 TRP 17 1.808 5.504 -1.583 120 HA PRO 18 HA PRO 18 6.734 -1.422 4.485 121 HB2 PRO 18 HB2 PRO 18 9.133 -0.512 3.503 122 HB3 PRO 18 HB3 PRO 18 7.910 -1.195 2.382 123 HG2 PRO 18 HG2 PRO 18 8.302 1.759 3.049 124 HG3 PRO 18 HG3 PRO 18 8.358 1.020 1.413 125 HD2 PRO 18 HD2 PRO 18 6.049 2.148 2.340 126 HD3 PRO 18 HD3 PRO 18 5.947 0.582 1.445 Start of MODEL 12 1 H1 SER 1 H SER 1 2.245 -0.484 0.103 2 HA SER 1 HA SER 1 1.942 -0.274 -2.797 3 HB2 SER 1 HB2 SER 1 4.214 0.753 -3.193 4 HB3 SER 1 HB3 SER 1 3.065 1.898 -2.458 5 HG SER 1 HG SER 1 4.116 1.402 -0.396 6 H ILE 2 H ILE 2 4.915 -0.792 -0.733 7 HA ILE 2 HA ILE 2 4.745 -3.701 -1.415 8 HB ILE 2 HB ILE 2 7.240 -3.643 -1.862 9 HG12 ILE 2 HG12 ILE 2 8.308 -1.539 -2.609 10 HG13 ILE 2 HG13 ILE 2 6.856 -0.593 -2.216 11 HG21 ILE 2 HG21 ILE 2 5.498 -2.063 -3.841 12 HG22 ILE 2 HG22 ILE 2 7.015 -2.919 -4.230 13 HG23 ILE 2 HG23 ILE 2 5.585 -3.843 -3.712 14 HD11 ILE 2 HD11 ILE 2 8.685 -0.353 -0.511 15 HD12 ILE 2 HD12 ILE 2 7.225 -1.039 0.229 16 HD13 ILE 2 HD13 ILE 2 8.610 -2.104 -0.172 17 H GLY 3 H GLY 3 3.949 -2.260 1.034 18 HA2 GLY 3 HA3 GLY 3 6.123 -3.244 2.865 19 HA3 GLY 3 HA2 GLY 3 4.939 -1.973 3.223 20 H ASP 4 H ASP 4 5.236 -4.271 4.850 21 HA ASP 4 HA ASP 4 2.585 -5.499 4.457 22 HB2 ASP 4 HB2 ASP 4 5.182 -6.669 5.381 23 HB3 ASP 4 HB3 ASP 4 3.671 -7.345 5.983 24 H SER 5 H SER 5 3.733 -3.091 6.033 25 HA SER 5 HA SER 5 3.515 -3.602 8.774 26 HB2 SER 5 HB2 SER 5 2.797 -1.019 7.371 27 HB3 SER 5 HB3 SER 5 3.289 -1.209 9.054 28 HG SER 5 HG SER 5 4.834 -1.448 6.711 29 H GLY 6 H GLY 6 1.669 -2.023 9.920 30 HA2 GLY 6 HA3 GLY 6 -0.820 -3.436 9.273 31 HA3 GLY 6 HA2 GLY 6 -0.454 -2.637 10.795 32 H LEU 7 H LEU 7 0.454 -0.547 8.147 33 HA LEU 7 HA LEU 7 -2.096 0.993 8.559 34 HB2 LEU 7 HB2 LEU 7 0.680 1.955 7.669 35 HB3 LEU 7 HB3 LEU 7 -0.825 2.900 7.719 36 HG LEU 7 HG LEU 7 -0.950 2.388 10.257 37 HD11 LEU 7 HD11 LEU 7 0.664 0.492 10.454 38 HD12 LEU 7 HD12 LEU 7 1.275 1.876 11.372 39 HD13 LEU 7 HD13 LEU 7 1.974 1.501 9.774 40 HD21 LEU 7 HD21 LEU 7 -0.274 4.611 9.368 41 HD22 LEU 7 HD22 LEU 7 1.417 4.053 9.198 42 HD23 LEU 7 HD23 LEU 7 0.675 4.209 10.819 43 H ARG 8 H ARG 8 -3.462 0.151 6.804 44 HA ARG 8 HA ARG 8 -2.297 -0.834 4.449 45 HB2 ARG 8 HB2 ARG 8 -5.123 0.252 4.869 46 HB3 ARG 8 HB3 ARG 8 -4.580 -0.448 3.324 47 HG2 ARG 8 HG2 ARG 8 -4.032 -2.593 4.345 48 HG3 ARG 8 HG3 ARG 8 -4.425 -1.991 5.979 49 HD2 ARG 8 HD2 ARG 8 -6.474 -2.175 3.697 50 HD3 ARG 8 HD3 ARG 8 -6.167 -3.459 4.917 51 HE ARG 8 HE ARG 8 -6.683 -1.018 6.312 52 HH11 ARG 8 HH11 ARG 8 -8.406 -3.461 4.301 53 HH12 ARG 8 HH12 ARG 8 -9.920 -3.197 5.156 54 HH21 ARG 8 HH21 ARG 8 -8.666 -0.741 7.333 55 HH22 ARG 8 HH22 ARG 8 -10.073 -1.682 6.833 56 H GLU 9 H GLU 9 -2.120 0.129 2.216 57 HA GLU 9 HA GLU 9 -1.144 2.830 2.464 58 HB2 GLU 9 HB2 GLU 9 -1.742 1.325 -0.148 59 HB3 GLU 9 HB3 GLU 9 -0.879 2.877 0.011 60 HG2 GLU 9 HG2 GLU 9 0.945 1.738 1.323 61 HG3 GLU 9 HG3 GLU 9 0.082 0.195 1.145 62 H SER 10 H SER 10 -4.096 1.222 1.055 63 HA SER 10 HA SER 10 -5.429 3.900 1.069 64 HB2 SER 10 HB2 SER 10 -6.432 3.361 -1.156 65 HB3 SER 10 HB3 SER 10 -4.656 3.471 -1.272 66 HG SER 10 HG SER 10 -4.676 1.106 -1.278 67 H MET 11 H MET 11 -7.849 3.684 0.944 68 HA MET 11 HA MET 11 -8.712 1.846 2.950 69 HB2 MET 11 HB2 MET 11 -10.283 3.428 0.824 70 HB3 MET 11 HB3 MET 11 -11.085 2.454 2.078 71 HG2 MET 11 HG2 MET 11 -9.126 4.741 2.782 72 HG3 MET 11 HG3 MET 11 -10.896 4.939 2.626 73 HE1 MET 11 HE1 MET 11 -10.744 4.952 6.506 74 HE2 MET 11 HE2 MET 11 -9.581 5.745 5.393 75 HE3 MET 11 HE3 MET 11 -11.339 5.763 5.023 76 H SER 12 H SER 12 -8.912 1.714 -0.705 77 HA SER 12 HA SER 12 -10.675 -0.559 -0.576 78 HB2 SER 12 HB2 SER 12 -10.674 1.020 -2.507 79 HB3 SER 12 HB3 SER 12 -9.037 0.470 -2.953 80 HG SER 12 HG SER 12 -11.365 -1.229 -2.895 81 H SER 13 H SER 13 -7.105 -0.307 -1.486 82 HA SER 13 HA SER 13 -7.128 -3.151 -2.088 83 HB2 SER 13 HB2 SER 13 -5.695 -1.495 -3.310 84 HB3 SER 13 HB3 SER 13 -4.714 -1.299 -1.821 85 HG SER 13 HG SER 13 -3.851 -2.993 -3.281 86 H GLN 14 H GLN 14 -5.088 -4.484 -1.198 87 HA GLN 14 HA GLN 14 -5.153 -4.313 1.816 88 HB2 GLN 14 HB2 GLN 14 -5.023 -6.735 -0.070 89 HB3 GLN 14 HB3 GLN 14 -4.923 -6.842 1.707 90 HG2 GLN 14 HG2 GLN 14 -7.384 -5.684 0.254 91 HG3 GLN 14 HG3 GLN 14 -7.180 -7.415 0.625 92 HE21 GLN 14 HE21 GLN 14 -9.269 -7.080 1.882 93 HE22 GLN 14 HE22 GLN 14 -9.113 -6.522 3.506 94 H THR 15 H THR 15 -3.254 -2.732 0.703 95 HA THR 15 HA THR 15 -0.782 -4.393 1.130 96 HB THR 15 HB THR 15 -0.877 -3.991 -1.285 97 HG1 THR 15 HG1 THR 15 1.206 -2.876 -1.294 98 HG21 THR 15 HG21 THR 15 -2.331 -2.001 -1.449 99 HG22 THR 15 HG22 THR 15 -0.751 -1.595 -2.168 100 HG23 THR 15 HG23 THR 15 -1.162 -1.019 -0.531 101 H TYR 16 H TYR 16 1.140 -2.775 1.725 102 HA TYR 16 HA TYR 16 -0.019 -0.643 3.494 103 HB2 TYR 16 HB2 TYR 16 1.906 -2.837 4.405 104 HB3 TYR 16 HB3 TYR 16 1.202 -1.568 5.417 105 HD1 TYR 16 HD1 TYR 16 0.411 -4.623 3.349 106 HD2 TYR 16 HD2 TYR 16 -0.986 -1.990 6.437 107 HE1 TYR 16 HE1 TYR 16 -1.580 -6.032 3.646 108 HE2 TYR 16 HE2 TYR 16 -2.816 -3.561 6.940 109 HH TYR 16 HH TYR 16 -3.621 -6.349 4.858 110 H TRP 17 H TRP 17 1.711 0.851 4.379 111 HA TRP 17 HA TRP 17 3.730 1.303 2.286 112 HB2 TRP 17 HB2 TRP 17 3.113 2.784 4.907 113 HB3 TRP 17 HB3 TRP 17 4.385 3.295 3.784 114 HD1 TRP 17 HD1 TRP 17 0.797 3.892 4.382 115 HE1 TRP 17 HE1 TRP 17 -0.259 5.089 2.428 116 HE3 TRP 17 HE3 TRP 17 4.608 3.428 0.889 117 HZ2 TRP 17 HZ2 TRP 17 0.205 5.557 -0.222 118 HZ3 TRP 17 HZ3 TRP 17 4.135 4.218 -1.431 119 HH2 TRP 17 HH2 TRP 17 1.956 5.250 -1.987 120 HA PRO 18 HA PRO 18 6.721 -1.056 4.779 121 HB2 PRO 18 HB2 PRO 18 9.133 -0.147 3.844 122 HB3 PRO 18 HB3 PRO 18 7.973 -0.927 2.721 123 HG2 PRO 18 HG2 PRO 18 8.273 2.080 3.225 124 HG3 PRO 18 HG3 PRO 18 8.430 1.251 1.642 125 HD2 PRO 18 HD2 PRO 18 6.056 2.367 2.410 126 HD3 PRO 18 HD3 PRO 18 6.028 0.760 1.582 Start of MODEL 13 1 H1 SER 1 H SER 1 2.221 -0.367 0.160 2 HA SER 1 HA SER 1 1.565 -0.305 -2.713 3 HB2 SER 1 HB2 SER 1 3.821 0.571 -3.386 4 HB3 SER 1 HB3 SER 1 2.837 1.802 -2.550 5 HG SER 1 HG SER 1 4.114 1.300 -0.624 6 H ILE 2 H ILE 2 4.656 -0.984 -0.874 7 HA ILE 2 HA ILE 2 4.266 -3.877 -1.546 8 HB ILE 2 HB ILE 2 6.726 -3.949 -2.175 9 HG12 ILE 2 HG12 ILE 2 7.849 -1.902 -2.990 10 HG13 ILE 2 HG13 ILE 2 6.482 -0.881 -2.496 11 HG21 ILE 2 HG21 ILE 2 6.363 -3.194 -4.518 12 HG22 ILE 2 HG22 ILE 2 4.929 -4.045 -3.898 13 HG23 ILE 2 HG23 ILE 2 4.928 -2.262 -4.013 14 HD11 ILE 2 HD11 ILE 2 8.437 -0.746 -0.922 15 HD12 ILE 2 HD12 ILE 2 6.999 -1.362 -0.082 16 HD13 ILE 2 HD13 ILE 2 8.297 -2.493 -0.583 17 H GLY 3 H GLY 3 3.721 -2.427 0.953 18 HA2 GLY 3 HA3 GLY 3 5.964 -3.534 2.626 19 HA3 GLY 3 HA2 GLY 3 4.884 -2.197 3.065 20 H ASP 4 H ASP 4 5.168 -4.513 4.668 21 HA ASP 4 HA ASP 4 2.433 -5.596 4.464 22 HB2 ASP 4 HB2 ASP 4 3.321 -7.601 5.682 23 HB3 ASP 4 HB3 ASP 4 3.990 -7.383 4.066 24 H SER 5 H SER 5 3.818 -3.262 5.959 25 HA SER 5 HA SER 5 3.769 -3.777 8.708 26 HB2 SER 5 HB2 SER 5 4.245 -1.557 7.074 27 HB3 SER 5 HB3 SER 5 2.884 -1.082 8.091 28 HG SER 5 HG SER 5 4.111 -1.512 9.901 29 H GLY 6 H GLY 6 2.098 -2.107 9.985 30 HA2 GLY 6 HA3 GLY 6 -0.503 -3.380 9.515 31 HA3 GLY 6 HA2 GLY 6 0.013 -2.612 11.009 32 H LEU 7 H LEU 7 0.785 -0.500 8.298 33 HA LEU 7 HA LEU 7 -1.725 1.064 8.823 34 HB2 LEU 7 HB2 LEU 7 1.013 2.003 7.809 35 HB3 LEU 7 HB3 LEU 7 -0.491 2.933 7.826 36 HG LEU 7 HG LEU 7 -0.359 2.074 10.511 37 HD11 LEU 7 HD11 LEU 7 1.941 1.098 10.163 38 HD12 LEU 7 HD12 LEU 7 1.947 2.451 11.329 39 HD13 LEU 7 HD13 LEU 7 2.532 2.711 9.664 40 HD21 LEU 7 HD21 LEU 7 0.338 4.412 11.046 41 HD22 LEU 7 HD22 LEU 7 -0.903 4.380 9.769 42 HD23 LEU 7 HD23 LEU 7 0.809 4.669 9.340 43 H ARG 8 H ARG 8 -3.200 0.401 7.123 44 HA ARG 8 HA ARG 8 -2.195 -0.702 4.717 45 HB2 ARG 8 HB2 ARG 8 -4.913 0.629 5.195 46 HB3 ARG 8 HB3 ARG 8 -4.458 -0.219 3.693 47 HG2 ARG 8 HG2 ARG 8 -4.047 -2.332 4.963 48 HG3 ARG 8 HG3 ARG 8 -4.524 -1.526 6.485 49 HD2 ARG 8 HD2 ARG 8 -6.810 -1.117 5.535 50 HD3 ARG 8 HD3 ARG 8 -6.292 -1.930 4.017 51 HE ARG 8 HE ARG 8 -5.807 -3.677 6.257 52 HH11 ARG 8 HH11 ARG 8 -8.554 -2.312 4.370 53 HH12 ARG 8 HH12 ARG 8 -9.568 -3.708 4.708 54 HH21 ARG 8 HH21 ARG 8 -7.184 -5.411 6.644 55 HH22 ARG 8 HH22 ARG 8 -8.817 -5.426 5.974 56 H GLU 9 H GLU 9 -2.128 0.307 2.481 57 HA GLU 9 HA GLU 9 -0.982 2.954 2.686 58 HB2 GLU 9 HB2 GLU 9 -1.821 1.455 0.139 59 HB3 GLU 9 HB3 GLU 9 -0.893 2.979 0.210 60 HG2 GLU 9 HG2 GLU 9 0.978 1.793 1.409 61 HG3 GLU 9 HG3 GLU 9 0.052 0.278 1.331 62 H SER 10 H SER 10 -4.106 1.512 1.453 63 HA SER 10 HA SER 10 -5.290 4.254 1.581 64 HB2 SER 10 HB2 SER 10 -6.460 3.796 -0.591 65 HB3 SER 10 HB3 SER 10 -4.691 3.875 -0.803 66 HG SER 10 HG SER 10 -4.755 1.518 -0.876 67 H MET 11 H MET 11 -7.714 4.187 1.620 68 HA MET 11 HA MET 11 -8.432 2.360 3.663 69 HB2 MET 11 HB2 MET 11 -10.658 3.336 3.622 70 HB3 MET 11 HB3 MET 11 -9.446 4.613 3.382 71 HG2 MET 11 HG2 MET 11 -11.233 5.118 1.865 72 HG3 MET 11 HG3 MET 11 -9.974 4.427 0.809 73 HE1 MET 11 HE1 MET 11 -13.080 4.771 0.029 74 HE2 MET 11 HE2 MET 11 -11.875 4.030 -1.077 75 HE3 MET 11 HE3 MET 11 -13.425 3.190 -0.743 76 H SER 12 H SER 12 -8.933 2.185 0.066 77 HA SER 12 HA SER 12 -10.879 0.028 0.381 78 HB2 SER 12 HB2 SER 12 -11.017 1.553 -1.549 79 HB3 SER 12 HB3 SER 12 -9.411 1.010 -2.125 80 HG SER 12 HG SER 12 -11.179 -0.237 -3.114 81 H SER 13 H SER 13 -7.386 0.207 -0.780 82 HA SER 13 HA SER 13 -7.485 -2.593 -1.481 83 HB2 SER 13 HB2 SER 13 -5.964 -0.803 -2.558 84 HB3 SER 13 HB3 SER 13 -4.977 -0.901 -1.074 85 HG SER 13 HG SER 13 -5.470 -3.085 -2.888 86 H GLN 14 H GLN 14 -5.225 -3.857 -0.599 87 HA GLN 14 HA GLN 14 -5.307 -3.762 2.395 88 HB2 GLN 14 HB2 GLN 14 -5.645 -6.161 2.519 89 HB3 GLN 14 HB3 GLN 14 -6.958 -5.444 1.567 90 HG2 GLN 14 HG2 GLN 14 -4.950 -6.181 -0.399 91 HG3 GLN 14 HG3 GLN 14 -4.955 -7.509 0.762 92 HE21 GLN 14 HE21 GLN 14 -7.331 -5.353 -1.044 93 HE22 GLN 14 HE22 GLN 14 -8.403 -6.648 -1.427 94 H THR 15 H THR 15 -3.383 -2.472 1.039 95 HA THR 15 HA THR 15 -1.024 -4.316 1.324 96 HB THR 15 HB THR 15 -1.470 -3.925 -1.073 97 HG1 THR 15 HG1 THR 15 0.854 -2.480 -0.262 98 HG21 THR 15 HG21 THR 15 -1.258 -0.932 -0.388 99 HG22 THR 15 HG22 THR 15 -2.644 -1.769 -1.135 100 HG23 THR 15 HG23 THR 15 -1.121 -1.588 -2.040 101 H TYR 16 H TYR 16 1.009 -2.961 2.022 102 HA TYR 16 HA TYR 16 0.045 -0.646 3.692 103 HB2 TYR 16 HB2 TYR 16 1.906 -2.920 4.521 104 HB3 TYR 16 HB3 TYR 16 1.339 -1.606 5.562 105 HD1 TYR 16 HD1 TYR 16 0.249 -4.648 3.590 106 HD2 TYR 16 HD2 TYR 16 -0.816 -1.890 6.699 107 HE1 TYR 16 HE1 TYR 16 -1.757 -5.980 4.094 108 HE2 TYR 16 HE2 TYR 16 -2.738 -3.285 7.298 109 HH TYR 16 HH TYR 16 -3.896 -5.347 6.863 110 H TRP 17 H TRP 17 1.882 0.806 4.424 111 HA TRP 17 HA TRP 17 3.761 1.156 2.189 112 HB2 TRP 17 HB2 TRP 17 3.424 2.649 4.860 113 HB3 TRP 17 HB3 TRP 17 4.633 3.105 3.649 114 HD1 TRP 17 HD1 TRP 17 1.141 3.895 4.521 115 HE1 TRP 17 HE1 TRP 17 0.015 5.173 2.661 116 HE3 TRP 17 HE3 TRP 17 4.642 3.242 0.746 117 HZ2 TRP 17 HZ2 TRP 17 0.307 5.646 -0.015 118 HZ3 TRP 17 HZ3 TRP 17 4.045 4.083 -1.527 119 HH2 TRP 17 HH2 TRP 17 1.899 5.255 -1.910 120 HA PRO 18 HA PRO 18 6.808 -1.369 4.427 121 HB2 PRO 18 HB2 PRO 18 9.205 -0.529 3.384 122 HB3 PRO 18 HB3 PRO 18 7.960 -1.256 2.316 123 HG2 PRO 18 HG2 PRO 18 8.397 1.730 2.831 124 HG3 PRO 18 HG3 PRO 18 8.426 0.915 1.233 125 HD2 PRO 18 HD2 PRO 18 6.147 2.113 2.148 126 HD3 PRO 18 HD3 PRO 18 6.003 0.515 1.319 Start of MODEL 14 1 H1 SER 1 H SER 1 2.144 -0.524 0.153 2 HA SER 1 HA SER 1 1.608 -0.314 -2.719 3 HB2 SER 1 HB2 SER 1 3.887 0.602 -3.295 4 HB3 SER 1 HB3 SER 1 2.867 1.805 -2.448 5 HG SER 1 HG SER 1 5.050 1.622 -1.485 6 H ILE 2 H ILE 2 4.645 -0.933 -0.798 7 HA ILE 2 HA ILE 2 4.391 -3.835 -1.504 8 HB ILE 2 HB ILE 2 6.857 -3.811 -2.117 9 HG12 ILE 2 HG12 ILE 2 7.893 -1.712 -2.935 10 HG13 ILE 2 HG13 ILE 2 6.483 -0.752 -2.436 11 HG21 ILE 2 HG21 ILE 2 5.012 -2.200 -3.974 12 HG22 ILE 2 HG22 ILE 2 6.483 -3.087 -4.458 13 HG23 ILE 2 HG23 ILE 2 5.070 -3.982 -3.850 14 HD11 ILE 2 HD11 ILE 2 7.020 -1.220 -0.026 15 HD12 ILE 2 HD12 ILE 2 8.365 -2.293 -0.529 16 HD13 ILE 2 HD13 ILE 2 8.429 -0.540 -0.867 17 H GLY 3 H GLY 3 3.749 -2.435 0.982 18 HA2 GLY 3 HA3 GLY 3 6.015 -3.455 2.684 19 HA3 GLY 3 HA2 GLY 3 4.877 -2.160 3.112 20 H ASP 4 H ASP 4 5.208 -4.461 4.713 21 HA ASP 4 HA ASP 4 2.523 -5.649 4.449 22 HB2 ASP 4 HB2 ASP 4 5.154 -6.867 4.983 23 HB3 ASP 4 HB3 ASP 4 3.855 -7.422 6.034 24 H SER 5 H SER 5 3.792 -3.269 5.981 25 HA SER 5 HA SER 5 3.695 -3.798 8.727 26 HB2 SER 5 HB2 SER 5 4.515 -1.684 7.457 27 HB3 SER 5 HB3 SER 5 2.838 -1.152 7.582 28 HG SER 5 HG SER 5 4.182 -0.450 9.339 29 H GLY 6 H GLY 6 1.936 -2.172 9.958 30 HA2 GLY 6 HA3 GLY 6 -0.613 -3.524 9.413 31 HA3 GLY 6 HA2 GLY 6 -0.155 -2.767 10.932 32 H LEU 7 H LEU 7 0.671 -0.665 8.286 33 HA LEU 7 HA LEU 7 -1.809 0.952 8.795 34 HB2 LEU 7 HB2 LEU 7 1.081 1.632 8.070 35 HB3 LEU 7 HB3 LEU 7 -0.208 2.705 7.516 36 HG LEU 7 HG LEU 7 -0.070 1.932 10.471 37 HD11 LEU 7 HD11 LEU 7 2.187 2.813 9.945 38 HD12 LEU 7 HD12 LEU 7 1.269 4.028 10.873 39 HD13 LEU 7 HD13 LEU 7 1.478 4.226 9.107 40 HD21 LEU 7 HD21 LEU 7 -1.247 4.125 10.756 41 HD22 LEU 7 HD22 LEU 7 -2.158 3.137 9.590 42 HD23 LEU 7 HD23 LEU 7 -1.112 4.459 9.009 43 H ARG 8 H ARG 8 -3.335 0.509 7.069 44 HA ARG 8 HA ARG 8 -2.327 -0.817 4.724 45 HB2 ARG 8 HB2 ARG 8 -5.057 0.533 5.147 46 HB3 ARG 8 HB3 ARG 8 -4.541 -0.259 3.638 47 HG2 ARG 8 HG2 ARG 8 -5.876 -1.856 4.772 48 HG3 ARG 8 HG3 ARG 8 -4.205 -2.442 4.879 49 HD2 ARG 8 HD2 ARG 8 -4.043 -1.721 7.215 50 HD3 ARG 8 HD3 ARG 8 -5.603 -0.911 7.201 51 HE ARG 8 HE ARG 8 -5.022 -3.786 7.481 52 HH11 ARG 8 HH11 ARG 8 -7.599 -1.496 6.372 53 HH12 ARG 8 HH12 ARG 8 -8.852 -2.694 6.649 54 HH21 ARG 8 HH21 ARG 8 -6.709 -5.223 7.779 55 HH22 ARG 8 HH22 ARG 8 -8.370 -4.748 7.423 56 H GLU 9 H GLU 9 -2.157 0.181 2.463 57 HA GLU 9 HA GLU 9 -1.035 2.834 2.718 58 HB2 GLU 9 HB2 GLU 9 -1.784 1.427 0.095 59 HB3 GLU 9 HB3 GLU 9 -0.860 2.938 0.273 60 HG2 GLU 9 HG2 GLU 9 0.965 1.681 1.484 61 HG3 GLU 9 HG3 GLU 9 0.022 0.188 1.313 62 H SER 10 H SER 10 -4.022 1.405 1.127 63 HA SER 10 HA SER 10 -5.262 4.145 1.254 64 HB2 SER 10 HB2 SER 10 -6.343 3.543 -0.912 65 HB3 SER 10 HB3 SER 10 -4.553 3.550 -1.056 66 HG SER 10 HG SER 10 -5.482 1.575 -1.969 67 H MET 11 H MET 11 -7.677 4.044 1.264 68 HA MET 11 HA MET 11 -8.441 2.249 3.357 69 HB2 MET 11 HB2 MET 11 -10.626 3.280 3.299 70 HB3 MET 11 HB3 MET 11 -9.386 4.537 3.050 71 HG2 MET 11 HG2 MET 11 -9.908 4.369 0.496 72 HG3 MET 11 HG3 MET 11 -11.280 3.305 0.938 73 HE1 MET 11 HE1 MET 11 -13.257 5.097 0.016 74 HE2 MET 11 HE2 MET 11 -12.948 6.859 0.160 75 HE3 MET 11 HE3 MET 11 -11.782 5.816 -0.717 76 H SER 12 H SER 12 -8.821 2.043 -0.237 77 HA SER 12 HA SER 12 -10.832 -0.076 0.041 78 HB2 SER 12 HB2 SER 12 -9.296 0.848 -2.449 79 HB3 SER 12 HB3 SER 12 -10.778 -0.147 -2.418 80 HG SER 12 HG SER 12 -11.818 1.774 -1.423 81 H SER 13 H SER 13 -7.302 0.076 -0.982 82 HA SER 13 HA SER 13 -7.385 -2.736 -1.715 83 HB2 SER 13 HB2 SER 13 -5.872 -0.954 -2.785 84 HB3 SER 13 HB3 SER 13 -4.912 -0.989 -1.277 85 HG SER 13 HG SER 13 -5.315 -3.224 -3.057 86 H GLN 14 H GLN 14 -5.140 -3.982 -0.778 87 HA GLN 14 HA GLN 14 -5.305 -3.871 2.215 88 HB2 GLN 14 HB2 GLN 14 -5.643 -6.263 2.334 89 HB3 GLN 14 HB3 GLN 14 -6.881 -5.590 1.255 90 HG2 GLN 14 HG2 GLN 14 -4.745 -6.296 -0.542 91 HG3 GLN 14 HG3 GLN 14 -4.708 -7.583 0.665 92 HE21 GLN 14 HE21 GLN 14 -7.054 -5.692 -1.431 93 HE22 GLN 14 HE22 GLN 14 -8.054 -7.056 -1.770 94 H THR 15 H THR 15 -3.341 -2.572 0.790 95 HA THR 15 HA THR 15 -0.967 -4.391 1.196 96 HB THR 15 HB THR 15 -1.167 -3.840 -1.210 97 HG1 THR 15 HG1 THR 15 1.003 -3.759 -0.338 98 HG21 THR 15 HG21 THR 15 -2.507 -1.836 -1.321 99 HG22 THR 15 HG22 THR 15 -0.892 -1.380 -1.918 100 HG23 THR 15 HG23 THR 15 -1.387 -0.939 -0.261 101 H TYR 16 H TYR 16 1.049 -2.852 1.844 102 HA TYR 16 HA TYR 16 0.001 -0.709 3.666 103 HB2 TYR 16 HB2 TYR 16 1.933 -2.956 4.440 104 HB3 TYR 16 HB3 TYR 16 1.309 -1.697 5.517 105 HD1 TYR 16 HD2 TYR 16 0.349 -4.697 3.425 106 HD2 TYR 16 HD1 TYR 16 -0.872 -2.066 6.599 107 HE1 TYR 16 HE2 TYR 16 -1.568 -6.157 3.900 108 HE2 TYR 16 HE1 TYR 16 -2.603 -3.681 7.260 109 HH TYR 16 HH TYR 16 -3.383 -6.621 5.387 110 H TRP 17 H TRP 17 1.834 0.729 4.483 111 HA TRP 17 HA TRP 17 3.722 1.141 2.259 112 HB2 TRP 17 HB2 TRP 17 3.315 2.632 4.916 113 HB3 TRP 17 HB3 TRP 17 4.523 3.114 3.716 114 HD1 TRP 17 HD1 TRP 17 1.065 3.904 4.584 115 HE1 TRP 17 HE1 TRP 17 -0.087 5.142 2.718 116 HE3 TRP 17 HE3 TRP 17 4.414 2.992 0.712 117 HZ2 TRP 17 HZ2 TRP 17 0.189 5.616 0.047 118 HZ3 TRP 17 HZ3 TRP 17 3.868 3.971 -1.515 119 HH2 TRP 17 HH2 TRP 17 1.757 5.209 -1.864 120 HA PRO 18 HA PRO 18 6.812 -1.290 4.501 121 HB2 PRO 18 HB2 PRO 18 9.188 -0.403 3.437 122 HB3 PRO 18 HB3 PRO 18 7.949 -1.150 2.378 123 HG2 PRO 18 HG2 PRO 18 8.326 1.840 2.901 124 HG3 PRO 18 HG3 PRO 18 8.363 1.033 1.299 125 HD2 PRO 18 HD2 PRO 18 6.057 2.173 2.227 126 HD3 PRO 18 HD3 PRO 18 5.956 0.575 1.392 Start of MODEL 15 1 H1 SER 1 H SER 1 2.183 -0.377 0.113 2 HA SER 1 HA SER 1 1.675 -0.065 -2.749 3 HB2 SER 1 HB2 SER 1 3.959 0.876 -3.265 4 HB3 SER 1 HB3 SER 1 2.914 2.034 -2.389 5 HG SER 1 HG SER 1 5.095 1.839 -1.408 6 H ILE 2 H ILE 2 4.712 -0.745 -0.832 7 HA ILE 2 HA ILE 2 4.455 -3.625 -1.624 8 HB ILE 2 HB ILE 2 6.931 -3.589 -2.191 9 HG12 ILE 2 HG12 ILE 2 8.000 -1.478 -2.905 10 HG13 ILE 2 HG13 ILE 2 6.590 -0.522 -2.406 11 HG21 ILE 2 HG21 ILE 2 6.608 -2.771 -4.513 12 HG22 ILE 2 HG22 ILE 2 5.181 -3.682 -3.966 13 HG23 ILE 2 HG23 ILE 2 5.132 -1.897 -4.021 14 HD11 ILE 2 HD11 ILE 2 8.407 -2.147 -0.505 15 HD12 ILE 2 HD12 ILE 2 8.502 -0.387 -0.776 16 HD13 ILE 2 HD13 ILE 2 7.063 -1.076 -0.002 17 H GLY 3 H GLY 3 3.799 -2.261 0.907 18 HA2 GLY 3 HA3 GLY 3 6.038 -3.334 2.597 19 HA3 GLY 3 HA2 GLY 3 4.874 -2.077 3.055 20 H ASP 4 H ASP 4 5.224 -4.435 4.574 21 HA ASP 4 HA ASP 4 2.556 -5.641 4.237 22 HB2 ASP 4 HB2 ASP 4 5.110 -6.878 5.272 23 HB3 ASP 4 HB3 ASP 4 3.528 -7.627 5.459 24 H SER 5 H SER 5 3.781 -3.299 5.862 25 HA SER 5 HA SER 5 3.653 -3.918 8.588 26 HB2 SER 5 HB2 SER 5 4.228 -1.667 7.137 27 HB3 SER 5 HB3 SER 5 2.684 -1.233 7.870 28 HG SER 5 HG SER 5 5.001 -1.106 9.010 29 H GLY 6 H GLY 6 1.862 -2.350 9.848 30 HA2 GLY 6 HA3 GLY 6 -0.666 -3.708 9.224 31 HA3 GLY 6 HA2 GLY 6 -0.236 -2.997 10.773 32 H LEU 7 H LEU 7 0.560 -0.724 8.210 33 HA LEU 7 HA LEU 7 -2.012 0.743 8.754 34 HB2 LEU 7 HB2 LEU 7 0.754 1.720 7.862 35 HB3 LEU 7 HB3 LEU 7 -0.748 2.649 7.649 36 HG LEU 7 HG LEU 7 -1.175 2.639 10.105 37 HD11 LEU 7 HD11 LEU 7 0.006 0.561 10.811 38 HD12 LEU 7 HD12 LEU 7 0.680 1.956 11.680 39 HD13 LEU 7 HD13 LEU 7 1.576 1.252 10.302 40 HD21 LEU 7 HD21 LEU 7 0.612 4.278 10.697 41 HD22 LEU 7 HD22 LEU 7 0.043 4.548 9.031 42 HD23 LEU 7 HD23 LEU 7 1.601 3.721 9.316 43 H ARG 8 H ARG 8 -3.499 0.379 6.956 44 HA ARG 8 HA ARG 8 -2.406 -0.888 4.619 45 HB2 ARG 8 HB2 ARG 8 -5.167 0.405 4.981 46 HB3 ARG 8 HB3 ARG 8 -4.595 -0.331 3.467 47 HG2 ARG 8 HG2 ARG 8 -5.938 -1.988 4.535 48 HG3 ARG 8 HG3 ARG 8 -4.263 -2.548 4.647 49 HD2 ARG 8 HD2 ARG 8 -4.133 -1.899 7.006 50 HD3 ARG 8 HD3 ARG 8 -5.700 -1.112 6.997 51 HE ARG 8 HE ARG 8 -5.079 -3.981 7.196 52 HH11 ARG 8 HH11 ARG 8 -7.680 -1.699 6.134 53 HH12 ARG 8 HH12 ARG 8 -8.918 -2.922 6.367 54 HH21 ARG 8 HH21 ARG 8 -6.743 -5.450 7.440 55 HH22 ARG 8 HH22 ARG 8 -8.409 -4.993 7.086 56 H GLU 9 H GLU 9 -2.173 0.192 2.385 57 HA GLU 9 HA GLU 9 -1.076 2.835 2.758 58 HB2 GLU 9 HB2 GLU 9 -1.784 1.528 0.074 59 HB3 GLU 9 HB3 GLU 9 -0.879 3.041 0.315 60 HG2 GLU 9 HG2 GLU 9 0.946 1.768 1.506 61 HG3 GLU 9 HG3 GLU 9 0.037 0.265 1.269 62 H SER 10 H SER 10 -4.055 1.460 1.100 63 HA SER 10 HA SER 10 -5.289 4.192 1.315 64 HB2 SER 10 HB2 SER 10 -6.325 3.687 -0.915 65 HB3 SER 10 HB3 SER 10 -4.532 3.718 -0.998 66 HG SER 10 HG SER 10 -5.422 1.779 -2.032 67 H MET 11 H MET 11 -7.698 4.109 1.295 68 HA MET 11 HA MET 11 -8.565 2.269 3.255 69 HB2 MET 11 HB2 MET 11 -10.833 3.127 2.939 70 HB3 MET 11 HB3 MET 11 -9.656 4.465 2.926 71 HG2 MET 11 HG2 MET 11 -9.824 4.539 0.376 72 HG3 MET 11 HG3 MET 11 -11.062 3.248 0.447 73 HE1 MET 11 HE1 MET 11 -12.972 6.721 -0.298 74 HE2 MET 11 HE2 MET 11 -11.226 6.526 -0.655 75 HE3 MET 11 HE3 MET 11 -12.374 5.196 -1.032 76 H SER 12 H SER 12 -8.850 2.090 -0.377 77 HA SER 12 HA SER 12 -10.758 -0.122 -0.118 78 HB2 SER 12 HB2 SER 12 -10.949 1.500 -1.968 79 HB3 SER 12 HB3 SER 12 -9.363 0.977 -2.615 80 HG SER 12 HG SER 12 -11.173 -0.238 -3.587 81 H SER 13 H SER 13 -7.294 0.203 -1.352 82 HA SER 13 HA SER 13 -7.238 -2.604 -1.999 83 HB2 SER 13 HB2 SER 13 -5.743 -0.811 -3.069 84 HB3 SER 13 HB3 SER 13 -4.825 -0.774 -1.538 85 HG SER 13 HG SER 13 -5.105 -3.071 -3.255 86 H GLN 14 H GLN 14 -5.241 -3.996 -1.012 87 HA GLN 14 HA GLN 14 -5.355 -3.734 1.986 88 HB2 GLN 14 HB2 GLN 14 -6.950 -5.421 0.779 89 HB3 GLN 14 HB3 GLN 14 -5.486 -6.344 0.367 90 HG2 GLN 14 HG2 GLN 14 -4.964 -6.505 2.868 91 HG3 GLN 14 HG3 GLN 14 -6.472 -5.625 3.221 92 HE21 GLN 14 HE21 GLN 14 -8.587 -6.648 2.120 93 HE22 GLN 14 HE22 GLN 14 -8.645 -8.369 2.155 94 H THR 15 H THR 15 -3.354 -2.478 0.648 95 HA THR 15 HA THR 15 -1.017 -4.343 1.026 96 HB THR 15 HB THR 15 -1.174 -3.704 -1.375 97 HG1 THR 15 HG1 THR 15 0.987 -3.710 -0.473 98 HG21 THR 15 HG21 THR 15 -1.344 -0.834 -0.316 99 HG22 THR 15 HG22 THR 15 -2.463 -1.659 -1.424 100 HG23 THR 15 HG23 THR 15 -0.829 -1.224 -1.977 101 H TYR 16 H TYR 16 1.032 -2.788 1.703 102 HA TYR 16 HA TYR 16 -0.036 -0.718 3.591 103 HB2 TYR 16 HB2 TYR 16 1.910 -2.969 4.316 104 HB3 TYR 16 HB3 TYR 16 1.267 -1.749 5.422 105 HD1 TYR 16 HD1 TYR 16 0.354 -4.692 3.229 106 HD2 TYR 16 HD2 TYR 16 -0.918 -2.185 6.478 107 HE1 TYR 16 HE1 TYR 16 -1.568 -6.170 3.618 108 HE2 TYR 16 HE2 TYR 16 -2.652 -3.826 7.054 109 HH TYR 16 HH TYR 16 -3.368 -6.723 5.100 110 H TRP 17 H TRP 17 1.773 0.720 4.448 111 HA TRP 17 HA TRP 17 3.683 1.212 2.258 112 HB2 TRP 17 HB2 TRP 17 3.230 2.618 4.957 113 HB3 TRP 17 HB3 TRP 17 4.449 3.148 3.790 114 HD1 TRP 17 HD1 TRP 17 0.968 3.871 4.633 115 HE1 TRP 17 HE1 TRP 17 -0.165 5.167 2.795 116 HE3 TRP 17 HE3 TRP 17 4.392 3.140 0.790 117 HZ2 TRP 17 HZ2 TRP 17 0.158 5.753 0.149 118 HZ3 TRP 17 HZ3 TRP 17 3.880 4.204 -1.407 119 HH2 TRP 17 HH2 TRP 17 1.766 5.440 -1.745 120 HA PRO 18 HA PRO 18 6.777 -1.244 4.479 121 HB2 PRO 18 HB2 PRO 18 9.163 -0.267 3.515 122 HB3 PRO 18 HB3 PRO 18 7.972 -1.012 2.403 123 HG2 PRO 18 HG2 PRO 18 8.260 1.976 3.011 124 HG3 PRO 18 HG3 PRO 18 8.365 1.218 1.393 125 HD2 PRO 18 HD2 PRO 18 6.018 2.275 2.293 126 HD3 PRO 18 HD3 PRO 18 5.955 0.698 1.419
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