NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2474 | 1byx | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 -7.522 -16.328 -8.855 2 2H5* G 1 2H5* G 1 -6.042 -15.742 -8.080 3 H4* G 1 H4* G 1 -8.772 -16.119 -6.789 4 H3* G 1 H3* G 1 -6.923 -13.731 -7.232 5 H2* G 1 H2* G 1 -7.826 -12.797 -5.244 6 2HO* G 1 2HO* G 1 -9.885 -13.079 -5.194 7 H1* G 1 H1* G 1 -7.779 -15.098 -3.771 8 H8 G 1 H8 G 1 -4.828 -14.455 -6.213 9 1H2 G 1 1H2 G 1 -5.838 -12.831 1.057 10 2H2 G 1 2H2 G 1 -7.207 -13.577 0.317 11 H5T G 1 H5T G 1 -5.968 -17.581 -6.805 12 1H G 1 1H G 1 -3.865 -12.511 -0.173 13 1H5* C 2 1H5* C 2 -11.188 -11.914 -6.611 14 2H5* C 2 2H5* C 2 -11.035 -10.276 -7.266 15 H4* C 2 H4* C 2 -11.539 -10.471 -4.750 16 H3* C 2 H3* C 2 -9.151 -8.862 -5.649 17 H2* C 2 H2* C 2 -8.776 -8.355 -3.343 18 2HO* C 2 2HO* C 2 -10.206 -8.436 -1.910 19 H1* C 2 H1* C 2 -9.208 -10.826 -2.362 20 1H4 C 2 1H4 C 2 -2.907 -9.860 -3.088 21 2H4 C 2 2H4 C 2 -3.051 -10.022 -4.812 22 H5 C 2 H5 C 2 -5.191 -10.503 -5.972 23 H6 C 2 H6 C 2 -7.552 -10.635 -5.657 24 1H5* A 3 1H5* A 3 -11.624 -6.593 -2.548 25 2H5* A 3 2H5* A 3 -11.101 -4.916 -2.479 26 H4* A 3 H4* A 3 -10.794 -6.549 -0.401 27 H3* A 3 H3* A 3 -8.798 -4.481 -1.378 28 H2* A 3 H2* A 3 -7.440 -5.062 0.563 29 2HO* A 3 2HO* A 3 -9.695 -5.344 1.531 30 H1* A 3 H1* A 3 -7.567 -7.704 0.215 31 H8 A 3 H8 A 3 -7.709 -6.484 -3.358 32 1H6 A 3 1H6 A 3 -1.732 -5.049 -2.862 33 2H6 A 3 2H6 A 3 -3.213 -4.935 -3.816 34 H2 A 3 2H A 3 -3.185 -6.370 1.194 35 1H5* G 4 1H5* G 4 -9.277 -3.789 3.119 36 2H5* G 4 2H5* G 4 -8.839 -2.079 3.327 37 H4* G 4 H4* G 4 -7.408 -4.087 4.385 38 H3* G 4 H3* G 4 -6.445 -1.389 3.433 39 H2* G 4 H2* G 4 -4.160 -2.105 3.763 40 2HO* G 4 2HO* G 4 -5.301 -3.398 5.680 41 H1* G 4 H1* G 4 -4.330 -4.574 2.751 42 H8 G 4 H8 G 4 -6.537 -2.665 0.498 43 H1 G 4 1H G 4 -0.283 -1.754 -0.650 44 1H2 G 4 1H2 G 4 0.883 -2.254 1.311 45 2H2 G 4 2H2 G 4 -0.040 -2.963 2.649 46 1H5* U 5 1H5* U 5 -3.955 -2.498 7.099 47 2H5* U 5 2H5* U 5 -3.887 -1.060 8.118 48 H4* U 5 H4* U 5 -1.635 -1.888 7.480 49 H3* U 5 H3* U 5 -2.420 0.863 6.422 50 H2* U 5 H2* U 5 -0.093 1.015 5.670 51 2HO* U 5 2HO* U 5 0.254 -0.282 7.765 52 H1* U 5 H1* U 5 -0.001 -1.477 4.626 53 H3 U 5 3H U 5 -0.102 1.047 0.868 54 H5 U 5 H5 U 5 -4.059 1.054 2.202 55 H6 U 5 H6 U 5 -3.365 -0.098 4.211 56 1H5* G 6 1H5* G 6 1.556 1.465 7.908 57 2H5* G 6 2H5* G 6 1.545 3.011 8.737 58 H4* G 6 H4* G 6 3.209 3.055 6.991 59 H3* G 6 H3* G 6 0.757 4.720 6.299 60 H2* G 6 H2* G 6 2.157 5.590 4.520 61 2HO* G 6 2HO* G 6 4.062 5.814 5.629 62 H1* G 6 H1* G 6 3.173 3.175 3.825 63 H8 G 6 H8 G 6 -0.596 3.039 4.529 64 H1 G 6 1H G 6 0.979 5.339 -1.260 65 1H2 G 6 1H2 G 6 3.245 5.632 -1.355 66 2H2 G 6 2H2 G 6 4.229 5.320 0.101 67 1H5* G 7 1H5* G 7 4.572 7.938 6.654 68 2H5* G 7 2H5* G 7 3.331 9.219 6.663 69 H4* G 7 H4* G 7 5.237 9.207 4.812 70 H3* G 7 H3* G 7 2.307 9.917 4.509 71 H2* G 7 H2* G 7 2.744 10.467 2.257 72 2HO* G 7 2HO* G 7 4.779 11.351 3.211 73 H1* G 7 H1* G 7 4.257 8.220 1.732 74 H8 G 7 H8 G 7 1.373 7.409 4.097 75 H1 G 7 1H G 7 -0.476 8.647 -1.970 76 1H2 G 7 1H2 G 7 1.329 9.437 -3.141 77 2H2 G 7 2H2 G 7 2.922 9.500 -2.416 78 1H5* C 8 1H5* C 8 1.289 12.704 5.260 79 2H5* C 8 2H5* C 8 1.220 13.354 6.889 80 H4* C 8 H4* C 8 -0.587 12.025 7.481 81 H3* C 8 H3* C 8 0.415 9.917 5.589 82 H2* C 8 H2* C 8 -1.810 9.184 5.135 83 2HO* C 8 2HO* C 8 -2.185 9.462 7.463 84 H1* C 8 H1* C 8 -2.968 11.665 4.986 85 1H4 C 8 1H4 C 8 -1.631 11.436 -1.141 86 2H4 C 8 2H4 C 8 0.061 11.806 -0.830 87 H5 C 8 H5 C 8 1.055 11.536 1.391 88 H6 C 8 H6 C 8 0.537 11.368 3.741 89 H3T C 8 H3T C 8 0.027 8.644 7.379 90 1H5* G 101 1H5* G 101 -8.726 12.664 -7.262 91 2H5* G 101 2H5* G 101 -7.727 12.303 -5.853 92 H4* G 101 H4* G 101 -6.964 13.672 -8.440 93 H3* G 101 H3* G 101 -6.155 11.242 -6.960 94 H2* G 101 H2* G 101 -3.929 11.712 -6.619 95 2HO* G 101 2HO* G 101 -3.099 11.943 -8.533 96 H1* G 101 H1* G 101 -3.823 14.463 -6.727 97 H8 G 101 H8 G 101 -6.471 12.988 -4.348 98 1H2 G 101 1H2 G 101 0.831 14.580 -3.503 99 2H2 G 101 2H2 G 101 0.226 14.668 -5.151 100 H5T G 101 H5T G 101 -7.571 14.866 -6.143 101 1H G 101 1H G 101 -0.700 14.032 -1.771 102 1H5* C 102 1H5* C 102 -3.178 10.953 -10.577 103 2H5* C 102 2H5* C 102 -2.961 9.192 -10.711 104 H4* C 102 H4* C 102 -0.895 10.609 -10.013 105 H3* C 102 H3* C 102 -2.004 8.167 -8.705 106 H2* C 102 H2* C 102 -0.240 8.161 -7.169 107 2HO* C 102 2HO* C 102 1.232 8.702 -8.987 108 H1* C 102 H1* C 102 -0.107 10.895 -6.854 109 1H4 C 102 1H4 C 102 -2.535 7.714 -1.788 110 2H4 C 102 2H4 C 102 -4.001 7.441 -2.678 111 H5 C 102 H5 C 102 -4.465 8.343 -4.923 112 H6 C 102 H6 C 102 -3.452 9.328 -6.839 113 1H5* C 103 1H5* C 103 2.522 7.538 -10.046 114 2H5* C 103 2H5* C 103 2.630 5.804 -10.367 115 H4* C 103 H4* C 103 4.423 6.588 -8.876 116 H3* C 103 H3* C 103 2.449 4.650 -7.634 117 H2* C 103 H2* C 103 4.060 4.542 -5.785 118 2HO* C 103 2HO* C 103 5.720 4.813 -7.515 119 H1* C 103 H1* C 103 4.222 7.220 -5.530 120 1H4 C 103 1H4 C 103 -0.884 5.368 -1.927 121 2H4 C 103 2H4 C 103 -1.822 5.727 -3.326 122 H5 C 103 H5 C 103 -1.015 6.249 -5.465 123 H6 C 103 H6 C 103 0.881 6.628 -6.851 124 1H5* A 104 1H5* A 104 6.589 3.100 -7.224 125 2H5* A 104 2H5* A 104 6.601 1.334 -7.299 126 H4* A 104 H4* A 104 7.542 2.349 -5.150 127 H3* A 104 H3* A 104 5.255 0.372 -5.053 128 H2* A 104 H2* A 104 5.387 0.520 -2.624 129 2HO* A 104 2HO* A 104 7.796 0.741 -3.001 130 H1* A 104 H1* A 104 5.449 3.157 -2.486 131 H8 A 104 H8 A 104 3.198 2.673 -5.459 132 1H6 A 104 1H6 A 104 -1.364 1.872 -1.379 133 2H6 A 104 2H6 A 104 -0.947 2.174 -3.067 134 H2 A 104 2H A 104 2.451 1.606 0.822 135 1H5* C 105 1H5* C 105 8.497 -1.370 -2.589 136 2H5* C 105 2H5* C 105 8.459 -3.141 -2.503 137 H4* C 105 H4* C 105 7.999 -1.933 -0.321 138 H3* C 105 H3* C 105 5.999 -3.904 -1.418 139 H2* C 105 H2* C 105 4.569 -3.373 0.485 140 H1* C 105 H1* C 105 4.898 -0.685 0.467 141 1H4 C 105 1H4 C 105 -0.499 -1.505 -2.802 142 2H4 C 105 2H4 C 105 0.407 -1.548 -4.289 143 H5 C 105 H5 C 105 2.882 -1.557 -4.362 144 H6 C 105 H6 C 105 4.857 -1.494 -3.005 145 2H2* C 105 2H2* C 105 5.903 -2.533 1.305 146 1H5* T 106 1H5* T 106 5.813 -4.208 2.655 147 2H5* T 106 2H5* T 106 6.121 -5.861 3.215 148 H4* T 106 H4* T 106 4.093 -5.004 4.230 149 H3* T 106 H3* T 106 3.878 -7.233 2.186 150 1H2* T 106 H2* T 106 1.567 -7.343 2.581 151 2H2* T 106 2H2* T 106 1.689 -6.404 4.098 152 H1* T 106 H1* T 106 1.103 -4.666 2.831 153 H3 T 106 3H T 106 -1.113 -6.018 -0.823 154 1H5M T 106 1H5M T 106 3.027 -4.222 -2.873 155 2H5M T 106 2H5M T 106 2.988 -5.949 -3.248 156 3H5M T 106 3H5M T 106 4.144 -5.339 -2.043 157 H6 T 106 H6 T 106 3.477 -5.149 0.212 158 1H5* G 107 1H5* G 107 2.142 -7.510 5.921 159 2H5* G 107 2H5* G 107 2.232 -9.009 6.844 160 H4* G 107 H4* G 107 -0.007 -7.820 6.807 161 H3* G 107 H3* G 107 0.453 -10.532 6.894 162 H2* G 107 H2* G 107 0.262 -10.867 4.537 163 H1* G 107 H1* G 107 -2.164 -9.027 4.532 164 H8 G 107 H8 G 107 1.129 -9.568 2.621 165 H1 G 107 1H G 107 -4.041 -9.567 -1.187 166 1H2 G 107 1H2 G 107 -5.895 -9.828 0.070 167 2H2 G 107 2H2 G 107 -5.815 -9.672 1.812 168 2H2* G 107 2H2* G 107 -1.409 -11.197 5.064 169 1H5* C 108 1H5* C 108 -1.999 -12.620 7.686 170 2H5* C 108 2H5* C 108 -3.010 -11.424 6.855 171 H4* C 108 H4* C 108 -4.824 -12.309 8.614 172 H3* C 108 H3* C 108 -3.022 -14.267 9.134 173 H2* C 108 H2* C 108 -2.516 -14.770 6.845 174 H1* C 108 H1* C 108 -5.479 -14.850 6.201 175 1H4 C 108 1H4 C 108 -3.077 -15.050 0.291 176 2H4 C 108 2H4 C 108 -1.757 -13.980 0.652 177 H5 C 108 H5 C 108 -1.598 -12.839 2.909 178 H6 C 108 H6 C 108 -2.531 -12.881 5.165 179 H3T C 108 H3T C 108 -4.796 -15.713 9.335 180 2H2* C 108 2H2* C 108 -3.716 -16.042 7.200 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -6.885 -13.612 -10.405 2 2H5* G 1 2H5* G 1 -5.784 -14.314 -9.188 3 H4* G 1 H4* G 1 -8.790 -14.319 -8.789 4 H3* G 1 H3* G 1 -6.997 -11.954 -8.594 5 H2* G 1 H2* G 1 -7.588 -11.504 -6.340 6 2HO* G 1 2HO* G 1 -9.658 -11.523 -6.089 7 H1* G 1 H1* G 1 -7.900 -13.988 -5.341 8 H8 G 1 H8 G 1 -5.092 -12.178 -7.368 9 1H2 G 1 1H2 G 1 -5.312 -15.884 -0.937 10 2H2 G 1 2H2 G 1 -6.769 -16.070 -1.848 11 H5T G 1 H5T G 1 -8.059 -15.624 -10.292 12 1H G 1 1H G 1 -3.398 -14.945 -1.823 13 1H5* C 2 1H5* C 2 -11.239 -10.195 -7.306 14 2H5* C 2 2H5* C 2 -10.974 -8.501 -7.743 15 H4* C 2 H4* C 2 -11.430 -9.061 -5.345 16 H3* C 2 H3* C 2 -9.028 -7.344 -5.975 17 H2* C 2 H2* C 2 -8.772 -7.232 -3.559 18 2HO* C 2 2HO* C 2 -11.168 -7.196 -3.504 19 H1* C 2 H1* C 2 -9.158 -9.777 -2.951 20 1H4 C 2 1H4 C 2 -2.857 -9.271 -3.619 21 2H4 C 2 2H4 C 2 -2.990 -9.207 -5.365 22 H5 C 2 H5 C 2 -5.154 -9.274 -6.536 23 H6 C 2 H6 C 2 -7.530 -9.230 -6.230 24 1H5* A 3 1H5* A 3 -11.575 -5.682 -2.532 25 2H5* A 3 2H5* A 3 -11.156 -3.994 -2.274 26 H4* A 3 H4* A 3 -10.640 -5.771 -0.418 27 H3* A 3 H3* A 3 -8.657 -3.673 -1.351 28 H2* A 3 H2* A 3 -7.210 -4.444 0.452 29 2HO* A 3 2HO* A 3 -9.357 -4.750 1.616 30 H1* A 3 H1* A 3 -7.486 -7.072 -0.102 31 H8 A 3 H8 A 3 -7.610 -5.346 -3.488 32 1H6 A 3 1H6 A 3 -1.416 -5.381 -3.108 33 2H6 A 3 2H6 A 3 -2.842 -4.907 -4.042 34 2H A 3 2H A 3 -3.060 -6.464 0.927 35 1H5* G 4 1H5* G 4 -8.868 -3.425 3.110 36 2H5* G 4 2H5* G 4 -8.351 -1.762 3.432 37 H4* G 4 H4* G 4 -6.991 -3.874 4.338 38 H3* G 4 H3* G 4 -6.068 -1.133 3.513 39 H2* G 4 H2* G 4 -3.788 -1.788 3.842 40 2HO* G 4 2HO* G 4 -3.468 -2.949 5.529 41 H1* G 4 H1* G 4 -3.882 -4.218 2.790 42 H8 G 4 H8 G 4 -6.072 -2.143 0.545 43 1H2 G 4 1H2 G 4 1.364 -2.294 1.484 44 2H2 G 4 2H2 G 4 0.404 -2.929 2.801 45 1H G 4 1H G 4 0.286 -1.790 -0.523 46 1H5* U 5 1H5* U 5 -3.897 -2.217 7.314 47 2H5* U 5 2H5* U 5 -3.778 -0.741 8.285 48 H4* U 5 H4* U 5 -1.519 -1.677 7.616 49 H3* U 5 H3* U 5 -2.313 1.045 6.518 50 H2* U 5 H2* U 5 -0.052 1.217 5.703 51 2HO* U 5 2HO* U 5 1.509 -0.375 6.208 52 H1* U 5 H1* U 5 -0.018 -1.346 4.735 53 H5 U 5 H5 U 5 -3.944 1.352 2.308 54 H6 U 5 H6 U 5 -3.297 0.274 4.365 55 3H U 5 3H U 5 0.038 1.095 1.004 56 1H5* G 6 1H5* G 6 1.636 1.804 7.911 57 2H5* G 6 2H5* G 6 1.536 3.337 8.779 58 H4* G 6 H4* G 6 3.231 3.589 7.122 59 H3* G 6 H3* G 6 0.670 4.968 6.221 60 H2* G 6 H2* G 6 2.111 5.962 4.517 61 2HO* G 6 2HO* G 6 3.853 6.057 6.151 62 H1* G 6 H1* G 6 3.267 3.640 3.843 63 H8 G 6 H8 G 6 -0.443 3.189 4.679 64 1H2 G 6 1H2 G 6 2.962 5.588 -1.573 65 2H2 G 6 2H2 G 6 4.067 5.212 -0.270 66 1H G 6 1H G 6 0.701 5.334 -1.268 67 1H5* G 7 1H5* G 7 4.102 8.224 6.630 68 2H5* G 7 2H5* G 7 3.028 9.628 6.608 69 H4* G 7 H4* G 7 4.911 9.363 4.796 70 H3* G 7 H3* G 7 2.111 10.252 4.182 71 H2* G 7 H2* G 7 2.859 10.584 1.915 72 2HO* G 7 2HO* G 7 4.812 11.379 2.901 73 H1* G 7 H1* G 7 3.949 8.136 1.660 74 H8 G 7 H8 G 7 1.094 7.705 4.124 75 1H2 G 7 1H2 G 7 0.726 8.749 -3.250 76 2H2 G 7 2H2 G 7 2.382 8.692 -2.700 77 1H G 7 1H G 7 -1.041 8.487 -1.844 78 1H5* C 8 1H5* C 8 1.158 13.045 4.660 79 2H5* C 8 2H5* C 8 0.873 13.666 6.277 80 H4* C 8 H4* C 8 -1.035 12.376 6.579 81 H3* C 8 H3* C 8 0.102 10.286 4.730 82 H2* C 8 H2* C 8 -2.092 9.777 3.899 83 2HO* C 8 2HO* C 8 -3.048 9.972 6.043 84 H1* C 8 H1* C 8 -3.008 12.323 3.722 85 1H4 C 8 1H4 C 8 -0.626 11.794 -2.240 86 2H4 C 8 2H4 C 8 0.918 11.398 -1.554 87 H5 C 8 H5 C 8 1.449 11.365 0.733 88 H6 C 8 H6 C 8 0.570 11.468 2.998 89 H3T C 8 H3T C 8 -0.624 8.952 6.377 90 1H5* G 101 1H5* G 101 -10.356 9.322 -7.909 91 2H5* G 101 2H5* G 101 -9.984 9.060 -6.198 92 H4* G 101 H4* G 101 -8.507 10.850 -8.190 93 H3* G 101 H3* G 101 -7.874 8.336 -6.647 94 H2* G 101 H2* G 101 -5.690 9.066 -6.210 95 2HO* G 101 2HO* G 101 -5.110 9.711 -8.255 96 H1* G 101 H1* G 101 -6.188 11.742 -5.840 97 H8 G 101 H8 G 101 -8.701 9.427 -4.181 98 1H2 G 101 1H2 G 101 -2.270 12.223 -1.808 99 2H2 G 101 2H2 G 101 -2.380 12.357 -3.568 100 H5T G 101 H5T G 101 -10.553 11.136 -5.719 101 1H G 101 1H G 101 -3.590 10.866 -0.577 102 1H5* C 102 1H5* C 102 -4.634 9.038 -10.158 103 2H5* C 102 2H5* C 102 -4.082 7.362 -10.459 104 H4* C 102 H4* C 102 -2.247 9.063 -9.842 105 H3* C 102 H3* C 102 -2.770 6.463 -8.408 106 H2* C 102 H2* C 102 -0.921 6.838 -7.076 107 2HO* C 102 2HO* C 102 0.445 7.345 -8.799 108 H1* C 102 H1* C 102 -1.240 9.580 -6.854 109 1H4 C 102 1H4 C 102 -3.356 7.719 -1.176 110 2H4 C 102 2H4 C 102 -4.797 7.021 -1.911 111 H5 C 102 H5 C 102 -5.105 6.808 -4.323 112 H6 C 102 H6 C 102 -4.158 7.319 -6.486 113 1H5* C 103 1H5* C 103 1.852 6.137 -10.383 114 2H5* C 103 2H5* C 103 1.915 4.373 -10.317 115 H4* C 103 H4* C 103 3.705 5.730 -9.025 116 H3* C 103 H3* C 103 2.239 3.442 -7.681 117 H2* C 103 H2* C 103 3.641 3.946 -5.730 118 2HO* C 103 2HO* C 103 5.252 4.532 -7.542 119 H1* C 103 H1* C 103 3.306 6.581 -5.722 120 1H4 C 103 1H4 C 103 -1.545 4.912 -1.951 121 2H4 C 103 2H4 C 103 -2.522 4.685 -3.382 122 H5 C 103 H5 C 103 -1.676 4.682 -5.636 123 H6 C 103 H6 C 103 0.199 5.016 -7.000 124 1H5* A 104 1H5* A 104 6.957 3.168 -6.758 125 2H5* A 104 2H5* A 104 7.256 1.419 -6.752 126 H4* A 104 H4* A 104 8.033 2.647 -4.684 127 H3* A 104 H3* A 104 6.086 0.345 -4.426 128 H2* A 104 H2* A 104 6.177 0.655 -2.014 129 2HO* A 104 2HO* A 104 8.548 1.240 -2.583 130 H1* A 104 H1* A 104 5.934 3.345 -2.015 131 H8 A 104 H8 A 104 3.831 2.214 -4.883 132 1H6 A 104 1H6 A 104 -0.813 1.678 -0.917 133 2H6 A 104 2H6 A 104 -0.303 1.787 -2.579 134 2H A 104 2H A 104 3.039 1.629 1.443 135 1H5* C 105 1H5* C 105 9.185 -1.449 -1.992 136 2H5* C 105 2H5* C 105 9.060 -3.193 -2.206 137 H4* C 105 H4* C 105 8.478 -2.350 0.066 138 H3* C 105 H3* C 105 6.317 -3.880 -1.396 139 H2* C 105 H2* C 105 4.952 -3.518 0.622 140 H1* C 105 H1* C 105 5.484 -0.911 0.935 141 1H4 C 105 1H4 C 105 0.202 -1.338 -2.660 142 2H4 C 105 2H4 C 105 1.184 -1.285 -4.105 143 H5 C 105 H5 C 105 3.661 -1.309 -4.055 144 H6 C 105 H6 C 105 5.568 -1.331 -2.615 145 2H2* C 105 2H2* C 105 6.370 -2.950 1.524 146 1H5* T 106 1H5* T 106 6.131 -4.789 2.660 147 2H5* T 106 2H5* T 106 6.292 -6.522 2.946 148 H4* T 106 H4* T 106 4.373 -5.606 4.166 149 H3* T 106 H3* T 106 3.982 -7.630 1.962 150 2H2* T 106 2H2* T 106 1.812 -6.821 3.912 151 H1* T 106 H1* T 106 1.359 -4.915 2.913 152 1H5M T 106 1H5M T 106 4.310 -5.079 -2.056 153 2H5M T 106 2H5M T 106 3.151 -4.016 -2.877 154 3H5M T 106 3H5M T 106 3.191 -5.723 -3.278 155 H6 T 106 H6 T 106 3.638 -5.136 0.213 156 H2* T 106 H2* T 106 1.659 -7.577 2.299 157 3H T 106 3H T 106 -0.939 -5.920 -0.910 158 1H5* G 107 1H5* G 107 2.025 -7.851 5.690 159 2H5* G 107 2H5* G 107 2.064 -9.367 6.588 160 H4* G 107 H4* G 107 -0.203 -8.294 6.483 161 H3* G 107 H3* G 107 0.480 -11.013 6.294 162 H2* G 107 H2* G 107 0.180 -11.184 3.978 163 H1* G 107 H1* G 107 -2.241 -9.344 4.145 164 H8 G 107 H8 G 107 1.020 -9.916 2.172 165 1H2 G 107 1H2 G 107 -6.095 -9.323 -0.164 166 2H2 G 107 2H2 G 107 -5.926 -9.315 1.578 167 2H2* G 107 2H2* G 107 -1.490 -11.557 4.513 168 1H G 107 1H G 107 -4.204 -9.197 -1.517 169 1H5* C 108 1H5* C 108 -1.830 -12.952 6.927 170 2H5* C 108 2H5* C 108 -3.317 -12.058 6.628 171 H4* C 108 H4* C 108 -4.363 -13.563 8.500 172 H3* C 108 H3* C 108 -1.850 -14.545 8.805 173 H2* C 108 H2* C 108 -1.374 -15.091 6.576 174 H1* C 108 H1* C 108 -4.077 -16.346 6.182 175 1H4 C 108 1H4 C 108 -1.588 -16.112 0.283 176 2H4 C 108 2H4 C 108 -1.336 -14.397 0.390 177 H5 C 108 H5 C 108 -1.799 -13.097 2.460 178 H6 C 108 H6 C 108 -2.673 -13.222 4.702 179 H3T C 108 H3T C 108 -2.682 -16.464 9.478 180 2H2* C 108 2H2* C 108 -1.990 -16.677 7.119 Start of MODEL 3 1 1H5* G 1 1H5* G 1 -5.566 -11.936 -11.136 2 2H5* G 1 2H5* G 1 -4.693 -11.640 -9.622 3 H4* G 1 H4* G 1 -7.407 -12.936 -10.021 4 H3* G 1 H3* G 1 -6.317 -10.485 -8.570 5 H2* G 1 H2* G 1 -7.991 -10.820 -6.874 6 2HO* G 1 2HO* G 1 -9.247 -11.497 -8.961 7 H1* G 1 H1* G 1 -7.876 -13.576 -6.763 8 H8 G 1 H8 G 1 -4.306 -12.463 -6.985 9 1H2 G 1 1H2 G 1 -9.028 -12.259 -1.238 10 2H2 G 1 2H2 G 1 -9.905 -12.568 -2.727 11 H5T G 1 H5T G 1 -3.713 -13.339 -10.469 12 1H G 1 1H G 1 -6.828 -12.142 -1.070 13 1H5* C 2 1H5* C 2 -10.542 -9.667 -7.936 14 2H5* C 2 2H5* C 2 -10.727 -7.923 -8.129 15 H4* C 2 H4* C 2 -11.249 -8.658 -5.839 16 H3* C 2 H3* C 2 -8.778 -6.921 -6.023 17 H2* C 2 H2* C 2 -8.776 -6.975 -3.602 18 2HO* C 2 2HO* C 2 -11.226 -7.010 -3.649 19 H1* C 2 H1* C 2 -9.085 -9.564 -3.345 20 1H4 C 2 1H4 C 2 -2.724 -8.660 -3.681 21 2H4 C 2 2H4 C 2 -2.805 -8.447 -5.392 22 H5 C 2 H5 C 2 -4.930 -8.543 -6.662 23 H6 C 2 H6 C 2 -7.286 -8.757 -6.483 24 1H5* A 3 1H5* A 3 -11.250 -5.430 -2.701 25 2H5* A 3 2H5* A 3 -10.892 -3.753 -2.339 26 H4* A 3 H4* A 3 -10.496 -5.676 -0.590 27 H3* A 3 H3* A 3 -8.635 -3.324 -1.065 28 H2* A 3 H2* A 3 -7.164 -4.205 0.613 29 2HO* A 3 2HO* A 3 -8.539 -4.684 2.215 30 H1* A 3 H1* A 3 -7.370 -6.839 -0.018 31 H8 A 3 H8 A 3 -7.302 -5.230 -3.373 32 1H6 A 3 1H6 A 3 -1.228 -6.027 -2.917 33 2H6 A 3 2H6 A 3 -2.645 -5.866 -3.945 34 2H A 3 2H A 3 -2.921 -6.090 1.245 35 1H5* G 4 1H5* G 4 -9.136 -3.131 3.723 36 2H5* G 4 2H5* G 4 -8.605 -1.457 3.914 37 H4* G 4 H4* G 4 -7.286 -3.491 4.945 38 H3* G 4 H3* G 4 -6.108 -0.929 3.901 39 H2* G 4 H2* G 4 -3.894 -1.869 4.224 40 2HO* G 4 2HO* G 4 -5.025 -2.787 6.215 41 H1* G 4 H1* G 4 -4.364 -4.354 3.282 42 H8 G 4 H8 G 4 -6.377 -2.124 1.042 43 1H2 G 4 1H2 G 4 1.004 -2.622 1.745 44 2H2 G 4 2H2 G 4 0.090 -3.241 3.118 45 1H G 4 1H G 4 -0.086 -2.121 -0.281 46 1H5* U 5 1H5* U 5 -3.611 -2.081 7.693 47 2H5* U 5 2H5* U 5 -3.539 -0.558 8.598 48 H4* U 5 H4* U 5 -1.248 -1.485 8.031 49 H3* U 5 H3* U 5 -2.117 1.219 6.952 50 H2* U 5 H2* U 5 0.022 1.448 5.942 51 2HO* U 5 2HO* U 5 1.757 0.111 6.401 52 H1* U 5 H1* U 5 0.305 -1.175 5.159 53 H5 U 5 H5 U 5 -3.835 0.767 2.451 54 H6 U 5 H6 U 5 -3.085 0.083 4.628 55 3H U 5 3H U 5 0.147 0.754 1.153 56 1H5* G 6 1H5* G 6 1.786 2.186 8.035 57 2H5* G 6 2H5* G 6 1.725 3.754 8.803 58 H4* G 6 H4* G 6 3.163 3.855 6.865 59 H3* G 6 H3* G 6 0.504 5.278 6.395 60 H2* G 6 H2* G 6 1.588 6.026 4.420 61 2HO* G 6 2HO* G 6 3.463 6.703 5.426 62 H1* G 6 H1* G 6 2.986 3.725 3.868 63 H8 G 6 H8 G 6 -0.648 3.254 4.677 64 1H2 G 6 1H2 G 6 2.631 5.236 -1.715 65 2H2 G 6 2H2 G 6 3.743 5.061 -0.364 66 1H G 6 1H G 6 0.382 4.742 -1.455 67 1H5* G 7 1H5* G 7 4.229 9.147 6.509 68 2H5* G 7 2H5* G 7 2.764 10.153 6.394 69 H4* G 7 H4* G 7 4.693 10.169 4.503 70 H3* G 7 H3* G 7 1.729 10.555 4.191 71 H2* G 7 H2* G 7 1.984 10.679 1.841 72 2HO* G 7 2HO* G 7 4.441 11.531 2.530 73 H1* G 7 H1* G 7 3.603 8.487 1.630 74 H8 G 7 H8 G 7 0.865 7.812 4.267 75 1H2 G 7 1H2 G 7 0.663 8.366 -3.200 76 2H2 G 7 2H2 G 7 2.153 8.998 -2.548 77 1H G 7 1H G 7 -0.984 7.469 -1.885 78 1H5* C 8 1H5* C 8 0.567 12.595 4.088 79 2H5* C 8 2H5* C 8 0.348 13.998 5.097 80 H4* C 8 H4* C 8 -1.143 12.791 6.585 81 H3* C 8 H3* C 8 -0.393 10.343 4.976 82 H2* C 8 H2* C 8 -2.680 9.634 4.965 83 2HO* C 8 2HO* C 8 -3.335 9.921 6.982 84 H1* C 8 H1* C 8 -3.815 12.091 4.556 85 1H4 C 8 1H4 C 8 -3.583 9.981 -1.312 86 2H4 C 8 2H4 C 8 -1.861 9.733 -1.370 87 H5 C 8 H5 C 8 -0.432 10.410 0.635 88 H6 C 8 H6 C 8 -0.562 11.105 2.932 89 H3T C 8 H3T C 8 -0.366 9.421 6.989 90 1H5* G 101 1H5* G 101 -9.365 10.500 -6.172 91 2H5* G 101 2H5* G 101 -8.526 10.424 -4.607 92 H4* G 101 H4* G 101 -7.446 11.699 -7.175 93 H3* G 101 H3* G 101 -7.129 8.998 -5.965 94 H2* G 101 H2* G 101 -4.753 9.063 -5.803 95 2HO* G 101 2HO* G 101 -4.571 9.977 -7.861 96 H1* G 101 H1* G 101 -4.476 11.481 -4.696 97 H8 G 101 H8 G 101 -5.971 8.181 -4.216 98 1H2 G 101 1H2 G 101 -6.115 13.804 0.678 99 2H2 G 101 2H2 G 101 -5.528 14.374 -0.874 100 H5T G 101 H5T G 101 -8.437 12.953 -5.279 101 1H G 101 1H G 101 -6.922 11.742 1.026 102 1H5* C 102 1H5* C 102 -4.445 9.078 -10.060 103 2H5* C 102 2H5* C 102 -4.224 7.352 -10.375 104 H4* C 102 H4* C 102 -2.132 8.934 -10.037 105 H3* C 102 H3* C 102 -2.281 6.198 -8.839 106 H2* C 102 H2* C 102 -0.228 6.642 -7.710 107 2HO* C 102 2HO* C 102 0.184 8.096 -9.799 108 H1* C 102 H1* C 102 -0.770 9.162 -6.967 109 1H4 C 102 1H4 C 102 -3.091 6.901 -1.522 110 2H4 C 102 2H4 C 102 -4.442 6.243 -2.342 111 H5 C 102 H5 C 102 -4.663 6.154 -4.825 112 H6 C 102 H6 C 102 -3.608 6.702 -6.885 113 1H5* C 103 1H5* C 103 1.984 6.675 -9.978 114 2H5* C 103 2H5* C 103 2.591 5.113 -10.546 115 H4* C 103 H4* C 103 3.741 5.874 -8.485 116 H3* C 103 H3* C 103 1.981 3.422 -8.124 117 H2* C 103 H2* C 103 2.753 3.378 -5.892 118 2HO* C 103 2HO* C 103 4.897 3.614 -6.275 119 H1* C 103 H1* C 103 2.872 6.132 -5.524 120 1H4 C 103 1H4 C 103 -2.009 3.934 -2.139 121 2H4 C 103 2H4 C 103 -2.950 3.529 -3.547 122 H5 C 103 H5 C 103 -2.049 3.898 -5.882 123 H6 C 103 H6 C 103 -0.099 4.624 -7.137 124 1H5* A 104 1H5* A 104 6.769 2.801 -7.030 125 2H5* A 104 2H5* A 104 6.894 1.036 -6.873 126 H4* A 104 H4* A 104 7.699 2.483 -4.905 127 H3* A 104 H3* A 104 5.840 0.127 -4.527 128 H2* A 104 H2* A 104 6.065 0.573 -2.133 129 2HO* A 104 2HO* A 104 7.554 2.234 -1.429 130 H1* A 104 H1* A 104 5.590 3.211 -2.284 131 H8 A 104 H8 A 104 3.508 1.723 -5.064 132 1H6 A 104 1H6 A 104 -0.996 1.304 -0.911 133 2H6 A 104 2H6 A 104 -0.585 1.269 -2.608 134 2H A 104 2H A 104 2.776 1.709 1.336 135 1H5* C 105 1H5* C 105 8.400 -0.610 -1.569 136 2H5* C 105 2H5* C 105 8.859 -2.327 -1.477 137 H4* C 105 H4* C 105 7.726 -1.569 0.561 138 H3* C 105 H3* C 105 6.204 -3.594 -1.103 139 H2* C 105 H2* C 105 4.532 -3.547 0.702 140 H1* C 105 H1* C 105 4.426 -0.893 0.970 141 1H4 C 105 1H4 C 105 -0.116 -1.641 -3.301 142 2H4 C 105 2H4 C 105 1.077 -1.369 -4.573 143 H5 C 105 H5 C 105 3.463 -1.669 -4.221 144 H6 C 105 H6 C 105 5.153 -1.487 -2.535 145 2H2* C 105 2H2* C 105 5.658 -2.675 1.773 146 1H5* T 106 1H5* T 106 6.433 -4.909 2.936 147 2H5* T 106 2H5* T 106 6.711 -6.666 3.101 148 H4* T 106 H4* T 106 4.686 -5.852 4.300 149 H3* T 106 H3* T 106 4.285 -7.830 2.056 150 2H2* T 106 2H2* T 106 2.196 -6.985 4.097 151 H1* T 106 H1* T 106 1.740 -5.077 3.030 152 1H5M T 106 1H5M T 106 3.481 -6.204 -3.090 153 2H5M T 106 2H5M T 106 4.564 -5.355 -1.971 154 3H5M T 106 3H5M T 106 3.344 -4.450 -2.884 155 H6 T 106 H6 T 106 3.983 -5.556 0.280 156 H2* T 106 H2* T 106 1.936 -7.767 2.511 157 3H T 106 3H T 106 -0.694 -6.034 -0.669 158 1H5* G 107 1H5* G 107 2.110 -8.479 5.637 159 2H5* G 107 2H5* G 107 2.084 -10.115 6.247 160 H4* G 107 H4* G 107 -0.088 -8.865 6.289 161 H3* G 107 H3* G 107 0.248 -11.562 5.910 162 H2* G 107 H2* G 107 0.141 -11.445 3.523 163 H1* G 107 H1* G 107 -2.192 -9.530 3.822 164 H8 G 107 H8 G 107 1.159 -9.788 1.946 165 1H2 G 107 1H2 G 107 -5.834 -9.148 -0.689 166 2H2 G 107 2H2 G 107 -5.780 -9.399 1.041 167 2H2* G 107 2H2* G 107 -1.569 -11.816 3.924 168 1H G 107 1H G 107 -3.926 -9.048 -1.907 169 1H5* C 108 1H5* C 108 -4.405 -11.932 4.862 170 2H5* C 108 2H5* C 108 -4.841 -12.192 6.539 171 H4* C 108 H4* C 108 -6.211 -13.682 5.640 172 H3* C 108 H3* C 108 -4.068 -14.813 7.032 173 H2* C 108 H2* C 108 -2.764 -15.341 5.149 174 H1* C 108 H1* C 108 -5.197 -16.190 3.559 175 1H4 C 108 1H4 C 108 -1.178 -15.760 -1.296 176 2H4 C 108 2H4 C 108 -0.600 -14.206 -0.784 177 H5 C 108 H5 C 108 -1.435 -13.083 1.254 178 H6 C 108 H6 C 108 -2.949 -13.322 3.132 179 H3T C 108 H3T C 108 -6.228 -15.383 7.190 180 2H2* C 108 2H2* C 108 -3.692 -16.865 5.249 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -5.249 -13.293 -10.239 2 2H5* G 1 2H5* G 1 -5.765 -11.691 -10.790 3 H4* G 1 H4* G 1 -7.724 -12.932 -10.268 4 H3* G 1 H3* G 1 -7.059 -10.662 -8.451 5 H2* G 1 H2* G 1 -8.582 -11.354 -6.740 6 2HO* G 1 2HO* G 1 -10.017 -11.789 -8.710 7 H1* G 1 H1* G 1 -8.373 -14.029 -6.817 8 H8 G 1 H8 G 1 -4.807 -13.403 -7.260 9 1H2 G 1 1H2 G 1 -9.226 -12.311 -1.296 10 2H2 G 1 2H2 G 1 -9.985 -12.642 -2.849 11 H5T G 1 H5T G 1 -3.942 -11.772 -9.260 12 1H G 1 1H G 1 -6.767 -12.040 -1.315 13 1H5* C 2 1H5* C 2 -11.246 -10.237 -7.542 14 2H5* C 2 2H5* C 2 -11.462 -8.490 -7.762 15 H4* C 2 H4* C 2 -11.759 -9.190 -5.415 16 H3* C 2 H3* C 2 -9.478 -7.296 -6.035 17 H2* C 2 H2* C 2 -9.100 -7.210 -3.680 18 2HO* C 2 2HO* C 2 -11.549 -7.335 -3.573 19 H1* C 2 H1* C 2 -9.415 -9.810 -3.098 20 1H4 C 2 1H4 C 2 -3.221 -8.107 -3.652 21 2H4 C 2 2H4 C 2 -3.397 -8.092 -5.384 22 H5 C 2 H5 C 2 -5.439 -8.703 -6.582 23 H6 C 2 H6 C 2 -7.765 -9.231 -6.318 24 1H5* A 3 1H5* A 3 -11.726 -5.575 -2.498 25 2H5* A 3 2H5* A 3 -11.205 -3.903 -2.335 26 H4* A 3 H4* A 3 -10.666 -5.764 -0.532 27 H3* A 3 H3* A 3 -8.757 -3.543 -1.320 28 H2* A 3 H2* A 3 -7.252 -4.453 0.364 29 2HO* A 3 2HO* A 3 -9.391 -4.941 1.544 30 H1* A 3 H1* A 3 -7.571 -7.075 -0.344 31 H8 A 3 H8 A 3 -7.609 -5.330 -3.608 32 1H6 A 3 1H6 A 3 -1.459 -4.817 -2.961 33 2H6 A 3 2H6 A 3 -2.861 -4.536 -3.997 34 2H A 3 2H A 3 -3.138 -6.380 0.886 35 1H5* G 4 1H5* G 4 -8.989 -3.729 3.344 36 2H5* G 4 2H5* G 4 -8.532 -2.055 3.739 37 H4* G 4 H4* G 4 -7.088 -4.103 4.589 38 H3* G 4 H3* G 4 -6.113 -1.397 3.623 39 H2* G 4 H2* G 4 -3.875 -2.139 4.162 40 2HO* G 4 2HO* G 4 -3.473 -3.926 5.369 41 H1* G 4 H1* G 4 -4.068 -4.478 2.896 42 H8 G 4 H8 G 4 -6.242 -2.276 0.843 43 1H2 G 4 1H2 G 4 1.189 -2.211 1.741 44 2H2 G 4 2H2 G 4 0.272 -2.948 3.053 45 1H G 4 1H G 4 0.077 -1.653 -0.233 46 1H5* U 5 1H5* U 5 -3.781 -2.200 7.384 47 2H5* U 5 2H5* U 5 -3.943 -0.736 8.363 48 H4* U 5 H4* U 5 -1.593 -1.357 8.142 49 H3* U 5 H3* U 5 -2.334 1.197 6.684 50 H2* U 5 H2* U 5 0.021 1.428 6.165 51 2HO* U 5 2HO* U 5 1.575 0.135 7.113 52 H1* U 5 H1* U 5 0.410 -1.134 5.412 53 H5 U 5 H5 U 5 -3.622 0.799 2.487 54 H6 U 5 H6 U 5 -3.010 -0.115 4.598 55 3H U 5 3H U 5 0.425 1.045 1.455 56 1H5* G 6 1H5* G 6 1.387 2.323 8.310 57 2H5* G 6 2H5* G 6 1.198 3.970 8.951 58 H4* G 6 H4* G 6 2.993 3.822 7.318 59 H3* G 6 H3* G 6 0.653 5.575 6.509 60 H2* G 6 H2* G 6 2.050 6.205 4.620 61 2HO* G 6 2HO* G 6 3.732 6.176 6.376 62 H1* G 6 H1* G 6 3.165 3.763 4.123 63 H8 G 6 H8 G 6 -0.444 3.288 4.734 64 1H2 G 6 1H2 G 6 2.867 5.590 -1.524 65 2H2 G 6 2H2 G 6 4.003 5.579 -0.187 66 1H G 6 1H G 6 0.709 5.024 -1.300 67 1H5* G 7 1H5* G 7 4.298 9.149 6.510 68 2H5* G 7 2H5* G 7 2.874 10.223 6.441 69 H4* G 7 H4* G 7 4.716 10.136 4.535 70 H3* G 7 H3* G 7 1.731 10.636 4.281 71 H2* G 7 H2* G 7 2.138 10.939 1.895 72 2HO* G 7 2HO* G 7 4.342 11.811 2.852 73 H1* G 7 H1* G 7 3.661 8.710 1.624 74 H8 G 7 H8 G 7 1.043 7.851 4.271 75 1H2 G 7 1H2 G 7 0.534 8.670 -3.177 76 2H2 G 7 2H2 G 7 2.096 9.116 -2.509 77 1H G 7 1H G 7 -1.106 7.830 -1.801 78 1H5* C 8 1H5* C 8 3.269 13.533 1.512 79 2H5* C 8 2H5* C 8 2.583 15.096 1.970 80 H4* C 8 H4* C 8 1.874 14.477 -0.306 81 H3* C 8 H3* C 8 -0.381 14.339 1.767 82 H2* C 8 H2* C 8 -1.835 13.930 -0.079 83 2HO* C 8 2HO* C 8 -0.171 15.510 -1.189 84 H1* C 8 H1* C 8 -0.154 12.170 -1.379 85 1H4 C 8 1H4 C 8 -4.013 8.437 1.676 86 2H4 C 8 2H4 C 8 -3.064 8.413 3.097 87 H5 C 8 H5 C 8 -1.260 10.154 3.449 88 H6 C 8 H6 C 8 0.093 11.730 2.232 89 H3T C 8 H3T C 8 -1.018 16.274 0.698 90 1H5* G 101 1H5* G 101 -10.564 8.775 -6.171 91 2H5* G 101 2H5* G 101 -9.833 7.251 -6.679 92 H4* G 101 H4* G 101 -8.962 9.212 -7.895 93 H3* G 101 H3* G 101 -7.229 7.317 -6.405 94 H2* G 101 H2* G 101 -5.244 8.672 -6.626 95 2HO* G 101 2HO* G 101 -6.477 9.204 -8.813 96 H1* G 101 H1* G 101 -6.322 11.062 -5.990 97 H8 G 101 H8 G 101 -5.712 7.681 -4.651 98 1H2 G 101 1H2 G 101 -9.197 13.251 -1.145 99 2H2 G 101 2H2 G 101 -9.027 13.558 -2.849 100 H5T G 101 H5T G 101 -9.876 7.124 -4.554 101 1H G 101 1H G 101 -8.120 11.512 -0.099 102 1H5* C 102 1H5* C 102 -4.778 8.179 -10.020 103 2H5* C 102 2H5* C 102 -4.064 6.643 -10.541 104 H4* C 102 H4* C 102 -2.422 8.493 -9.917 105 H3* C 102 H3* C 102 -2.283 5.777 -8.570 106 H2* C 102 H2* C 102 -0.258 6.615 -7.528 107 2HO* C 102 2HO* C 102 -0.004 7.794 -9.696 108 H1* C 102 H1* C 102 -1.259 9.059 -6.931 109 1H4 C 102 1H4 C 102 -2.890 6.608 -1.353 110 2H4 C 102 2H4 C 102 -4.217 5.793 -2.075 111 H5 C 102 H5 C 102 -4.554 5.570 -4.549 112 H6 C 102 H6 C 102 -3.725 6.317 -6.673 113 1H5* C 103 1H5* C 103 1.891 6.588 -10.053 114 2H5* C 103 2H5* C 103 2.522 4.973 -10.435 115 H4* C 103 H4* C 103 3.866 6.111 -8.702 116 H3* C 103 H3* C 103 2.300 3.709 -7.708 117 H2* C 103 H2* C 103 3.583 3.974 -5.664 118 2HO* C 103 2HO* C 103 5.417 4.495 -7.060 119 H1* C 103 H1* C 103 3.200 6.669 -5.534 120 1H4 C 103 1H4 C 103 -1.346 3.936 -2.022 121 2H4 C 103 2H4 C 103 -2.214 3.390 -3.432 122 H5 C 103 H5 C 103 -1.356 3.742 -5.725 123 H6 C 103 H6 C 103 0.418 4.701 -7.013 124 1H5* A 104 1H5* A 104 6.814 3.102 -6.957 125 2H5* A 104 2H5* A 104 7.062 1.341 -6.942 126 H4* A 104 H4* A 104 7.910 2.597 -4.907 127 H3* A 104 H3* A 104 6.003 0.271 -4.657 128 H2* A 104 H2* A 104 6.080 0.543 -2.255 129 2HO* A 104 2HO* A 104 8.383 0.940 -2.744 130 H1* A 104 H1* A 104 5.908 3.239 -2.140 131 H8 A 104 H8 A 104 3.682 2.083 -4.960 132 1H6 A 104 1H6 A 104 -0.781 1.375 -0.842 133 2H6 A 104 2H6 A 104 -0.325 1.562 -2.529 134 2H A 104 2H A 104 3.013 1.684 1.450 135 1H5* C 105 1H5* C 105 8.999 -0.905 -1.729 136 2H5* C 105 2H5* C 105 9.038 -2.686 -1.846 137 H4* C 105 H4* C 105 8.216 -1.763 0.360 138 H3* C 105 H3* C 105 6.508 -3.652 -1.260 139 H2* C 105 H2* C 105 4.848 -3.503 0.515 140 H1* C 105 H1* C 105 5.084 -0.849 1.022 141 1H4 C 105 1H4 C 105 -0.037 -1.283 -2.562 142 2H4 C 105 2H4 C 105 0.900 -1.261 -4.046 143 H5 C 105 H5 C 105 3.397 -1.413 -4.021 144 H6 C 105 H6 C 105 5.323 -1.437 -2.556 145 2H2* C 105 2H2* C 105 6.051 -2.836 1.637 146 1H5* T 106 1H5* T 106 6.619 -4.964 2.804 147 2H5* T 106 2H5* T 106 6.776 -6.727 2.985 148 H4* T 106 H4* T 106 4.748 -5.806 4.109 149 H3* T 106 H3* T 106 4.261 -7.673 1.758 150 2H2* T 106 2H2* T 106 2.361 -6.793 3.930 151 H1* T 106 H1* T 106 2.003 -4.794 2.984 152 1H5M T 106 1H5M T 106 3.378 -5.935 -2.999 153 2H5M T 106 2H5M T 106 4.239 -4.584 -2.241 154 3H5M T 106 3H5M T 106 2.843 -4.271 -3.297 155 H6 T 106 H6 T 106 3.899 -5.402 -0.004 156 H2* T 106 H2* T 106 1.929 -7.492 2.349 157 3H T 106 3H T 106 -0.866 -5.226 -0.559 158 1H5* G 107 1H5* G 107 1.909 -8.176 5.488 159 2H5* G 107 2H5* G 107 2.036 -9.832 6.039 160 H4* G 107 H4* G 107 -0.291 -8.852 6.191 161 H3* G 107 H3* G 107 0.443 -11.406 5.638 162 H2* G 107 H2* G 107 0.445 -11.261 3.295 163 H1* G 107 H1* G 107 -2.121 -9.779 3.469 164 H8 G 107 H8 G 107 1.263 -9.490 1.694 165 1H2 G 107 1H2 G 107 -5.831 -9.384 -0.724 166 2H2 G 107 2H2 G 107 -5.667 -9.548 1.012 167 2H2* G 107 2H2* G 107 -1.253 -11.799 3.572 168 1H G 107 1H G 107 -4.002 -9.151 -2.047 169 1H5* C 108 1H5* C 108 -3.217 -13.524 4.016 170 2H5* C 108 2H5* C 108 -3.541 -14.365 5.528 171 H4* C 108 H4* C 108 -3.224 -16.150 4.144 172 H3* C 108 H3* C 108 -1.079 -15.761 5.959 173 H2* C 108 H2* C 108 0.423 -14.936 4.342 174 H1* C 108 H1* C 108 -0.691 -16.911 2.333 175 1H4 C 108 1H4 C 108 3.790 -13.594 -0.772 176 2H4 C 108 2H4 C 108 3.119 -12.042 -0.318 177 H5 C 108 H5 C 108 1.109 -11.915 1.145 178 H6 C 108 H6 C 108 -0.554 -13.247 2.384 179 H3T C 108 H3T C 108 -0.624 -18.005 5.493 180 2H2* C 108 2H2* C 108 0.797 -16.673 4.210 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -5.575 -12.101 -10.239 2 2H5* G 1 2H5* G 1 -4.866 -12.182 -8.598 3 H4* G 1 H4* G 1 -7.672 -13.034 -9.448 4 H3* G 1 H3* G 1 -6.630 -10.761 -7.712 5 H2* G 1 H2* G 1 -8.607 -11.102 -6.328 6 2HO* G 1 2HO* G 1 -9.549 -11.574 -8.582 7 H1* G 1 H1* G 1 -8.549 -13.801 -6.248 8 H8 G 1 H8 G 1 -4.955 -12.444 -6.211 9 1H2 G 1 1H2 G 1 -9.969 -13.135 -0.686 10 2H2 G 1 2H2 G 1 -10.645 -13.108 -2.291 11 H5T G 1 H5T G 1 -5.533 -14.489 -8.722 12 1H G 1 1H G 1 -7.648 -13.127 -0.411 13 1H5* C 2 1H5* C 2 -10.782 -9.940 -7.497 14 2H5* C 2 2H5* C 2 -10.998 -8.198 -7.676 15 H4* C 2 H4* C 2 -11.667 -8.895 -5.440 16 H3* C 2 H3* C 2 -9.177 -7.195 -5.569 17 H2* C 2 H2* C 2 -9.194 -7.196 -3.200 18 2HO* C 2 2HO* C 2 -11.654 -7.163 -3.309 19 H1* C 2 H1* C 2 -9.652 -9.761 -2.770 20 1H4 C 2 1H4 C 2 -3.155 -8.890 -3.037 21 2H4 C 2 2H4 C 2 -3.355 -8.789 -4.752 22 H5 C 2 H5 C 2 -5.356 -8.937 -5.962 23 H6 C 2 H6 C 2 -7.707 -9.111 -5.827 24 1H5* A 3 1H5* A 3 -11.525 -5.484 -2.386 25 2H5* A 3 2H5* A 3 -11.060 -3.804 -2.155 26 H4* A 3 H4* A 3 -10.677 -5.564 -0.319 27 H3* A 3 H3* A 3 -8.568 -3.544 -1.139 28 H2* A 3 H2* A 3 -7.220 -4.384 0.692 29 2HO* A 3 2HO* A 3 -9.330 -4.542 1.856 30 H1* A 3 H1* A 3 -7.570 -6.998 0.159 31 H8 A 3 H8 A 3 -7.611 -5.390 -3.249 32 1H6 A 3 1H6 A 3 -1.413 -5.427 -2.878 33 2H6 A 3 2H6 A 3 -2.821 -5.114 -3.867 34 2H A 3 2H A 3 -3.081 -6.484 1.172 35 1H5* G 4 1H5* G 4 -9.149 -3.282 3.497 36 2H5* G 4 2H5* G 4 -8.388 -1.712 3.876 37 H4* G 4 H4* G 4 -7.368 -4.044 4.722 38 H3* G 4 H3* G 4 -5.990 -1.463 4.061 39 H2* G 4 H2* G 4 -3.829 -2.526 4.170 40 2HO* G 4 2HO* G 4 -4.935 -3.747 6.040 41 H1* G 4 H1* G 4 -4.403 -4.839 2.919 42 H8 G 4 H8 G 4 -6.261 -2.304 0.910 43 1H2 G 4 1H2 G 4 1.050 -2.846 1.772 44 2H2 G 4 2H2 G 4 0.138 -3.548 3.111 45 1H G 4 1H G 4 0.011 -2.341 -0.253 46 1H5* U 5 1H5* U 5 -3.104 -2.934 7.064 47 2H5* U 5 2H5* U 5 -3.013 -1.575 8.196 48 H4* U 5 H4* U 5 -0.819 -2.058 7.300 49 H3* U 5 H3* U 5 -2.062 0.550 6.383 50 H2* U 5 H2* U 5 0.026 1.038 5.331 51 2HO* U 5 2HO* U 5 1.860 0.222 5.920 52 H1* U 5 H1* U 5 0.471 -1.517 4.378 53 H5 U 5 H5 U 5 -3.987 0.627 2.264 54 H6 U 5 H6 U 5 -3.060 -0.415 4.243 55 3H U 5 3H U 5 -0.131 0.767 0.626 56 1H5* G 6 1H5* G 6 1.941 1.675 7.769 57 2H5* G 6 2H5* G 6 1.744 3.226 8.587 58 H4* G 6 H4* G 6 3.336 3.420 6.774 59 H3* G 6 H3* G 6 0.666 4.762 6.163 60 H2* G 6 H2* G 6 1.903 5.777 4.324 61 2HO* G 6 2HO* G 6 3.778 5.695 6.002 62 H1* G 6 H1* G 6 3.125 3.441 3.633 63 H8 G 6 H8 G 6 -0.614 2.885 4.471 64 1H2 G 6 1H2 G 6 2.757 5.636 -1.663 65 2H2 G 6 2H2 G 6 3.851 5.412 -0.309 66 1H G 6 1H G 6 0.559 5.003 -1.483 67 1H5* G 7 1H5* G 7 3.847 8.239 6.305 68 2H5* G 7 2H5* G 7 2.652 9.558 6.272 69 H4* G 7 H4* G 7 4.469 9.392 4.406 70 H3* G 7 H3* G 7 1.576 10.097 4.124 71 H2* G 7 H2* G 7 1.800 10.459 1.894 72 2HO* G 7 2HO* G 7 3.828 11.643 2.126 73 H1* G 7 H1* G 7 3.444 8.268 1.368 74 H8 G 7 H8 G 7 0.792 7.418 3.888 75 1H2 G 7 1H2 G 7 0.362 8.837 -3.440 76 2H2 G 7 2H2 G 7 1.969 8.956 -2.778 77 1H G 7 1H G 7 -1.331 7.882 -2.191 78 1H5* C 8 1H5* C 8 1.038 12.828 1.331 79 2H5* C 8 2H5* C 8 0.828 14.341 2.227 80 H4* C 8 H4* C 8 -1.251 13.842 1.194 81 H3* C 8 H3* C 8 -1.186 13.281 4.176 82 H2* C 8 H2* C 8 -3.464 12.765 4.144 83 2HO* C 8 2HO* C 8 -3.460 14.263 1.734 84 H1* C 8 H1* C 8 -3.453 11.396 1.755 85 1H4 C 8 1H4 C 8 -3.129 6.669 5.652 86 2H4 C 8 2H4 C 8 -1.452 6.976 6.139 87 H5 C 8 H5 C 8 -0.224 8.908 5.205 88 H6 C 8 H6 C 8 -0.408 10.722 3.627 89 H3T C 8 H3T C 8 -2.306 15.241 4.230 90 1H5* G 101 1H5* G 101 -9.342 11.019 -7.056 91 2H5* G 101 2H5* G 101 -8.933 10.728 -5.363 92 H4* G 101 H4* G 101 -7.275 12.408 -7.313 93 H3* G 101 H3* G 101 -7.144 9.513 -6.507 94 H2* G 101 H2* G 101 -4.874 9.608 -6.018 95 2HO* G 101 2HO* G 101 -4.354 10.499 -8.005 96 H1* G 101 H1* G 101 -4.658 12.220 -5.126 97 H8 G 101 H8 G 101 -7.491 10.071 -3.596 98 1H2 G 101 1H2 G 101 -0.321 11.114 -1.746 99 2H2 G 101 2H2 G 101 -0.799 11.130 -3.440 100 H5T G 101 H5T G 101 -9.342 13.329 -6.513 101 1H G 101 1H G 101 -2.079 10.580 -0.190 102 1H5* C 102 1H5* C 102 -4.040 9.584 -10.659 103 2H5* C 102 2H5* C 102 -3.891 7.831 -10.534 104 H4* C 102 H4* C 102 -1.803 9.461 -10.357 105 H3* C 102 H3* C 102 -2.116 6.941 -8.770 106 H2* C 102 H2* C 102 -0.006 7.523 -7.659 107 2HO* C 102 2HO* C 102 0.931 9.649 -8.274 108 H1* C 102 H1* C 102 -0.753 10.017 -7.035 109 1H4 C 102 1H4 C 102 -3.336 7.190 -1.980 110 2H4 C 102 2H4 C 102 -4.624 6.531 -2.920 111 H5 C 102 H5 C 102 -4.674 6.653 -5.435 112 H6 C 102 H6 C 102 -3.568 7.508 -7.347 113 1H5* C 103 1H5* C 103 2.292 6.862 -10.300 114 2H5* C 103 2H5* C 103 2.607 5.137 -10.496 115 H4* C 103 H4* C 103 4.144 6.384 -8.902 116 H3* C 103 H3* C 103 2.654 3.908 -7.979 117 H2* C 103 H2* C 103 3.666 4.249 -5.798 118 2HO* C 103 2HO* C 103 5.592 4.822 -7.137 119 H1* C 103 H1* C 103 3.495 6.987 -5.704 120 1H4 C 103 1H4 C 103 -1.347 4.793 -2.119 121 2H4 C 103 2H4 C 103 -2.222 4.413 -3.541 122 H5 C 103 H5 C 103 -1.446 4.875 -5.821 123 H6 C 103 H6 C 103 0.445 5.491 -7.151 124 1H5* A 104 1H5* A 104 7.096 3.478 -6.627 125 2H5* A 104 2H5* A 104 7.436 1.743 -6.764 126 H4* A 104 H4* A 104 7.819 2.756 -4.491 127 H3* A 104 H3* A 104 5.962 0.410 -4.816 128 H2* A 104 H2* A 104 5.578 0.521 -2.436 129 2HO* A 104 2HO* A 104 7.703 0.726 -1.860 130 H1* A 104 H1* A 104 5.458 3.204 -2.161 131 H8 A 104 H8 A 104 3.504 2.259 -5.302 132 1H6 A 104 1H6 A 104 -1.162 1.429 -1.264 133 2H6 A 104 2H6 A 104 -0.737 1.660 -2.952 134 2H A 104 2H A 104 2.667 1.478 1.012 135 1H5* C 105 1H5* C 105 8.734 -0.721 -1.315 136 2H5* C 105 2H5* C 105 8.808 -2.485 -1.473 137 H4* C 105 H4* C 105 7.697 -1.517 0.631 138 H3* C 105 H3* C 105 6.341 -3.633 -1.073 139 H2* C 105 H2* C 105 4.647 -3.617 0.686 140 H1* C 105 H1* C 105 4.492 -0.919 0.939 141 1H4 C 105 1H4 C 105 -0.248 -1.648 -2.932 142 2H4 C 105 2H4 C 105 0.769 -1.349 -4.351 143 H5 C 105 H5 C 105 3.259 -1.463 -4.176 144 H6 C 105 H6 C 105 5.103 -1.493 -2.574 145 2H2* C 105 2H2* C 105 5.705 -2.685 1.771 146 1H5* T 106 1H5* T 106 6.225 -4.600 3.115 147 2H5* T 106 2H5* T 106 6.562 -6.309 3.435 148 H4* T 106 H4* T 106 4.402 -5.486 4.425 149 H3* T 106 H3* T 106 4.394 -7.744 2.390 150 2H2* T 106 2H2* T 106 1.985 -6.963 4.072 151 H1* T 106 H1* T 106 1.570 -5.117 3.000 152 1H5M T 106 1H5M T 106 4.313 -4.769 -1.894 153 2H5M T 106 2H5M T 106 2.985 -4.414 -3.015 154 3H5M T 106 3H5M T 106 3.629 -6.059 -2.903 155 H6 T 106 H6 T 106 3.834 -5.512 0.292 156 H2* T 106 H2* T 106 2.038 -7.813 2.498 157 3H T 106 3H T 106 -0.845 -6.012 -0.699 158 1H5* G 107 1H5* G 107 1.837 -7.928 5.970 159 2H5* G 107 2H5* G 107 1.965 -9.453 6.835 160 H4* G 107 H4* G 107 -0.360 -8.605 6.633 161 H3* G 107 H3* G 107 0.497 -11.265 6.270 162 H2* G 107 H2* G 107 0.353 -11.213 3.948 163 H1* G 107 H1* G 107 -2.173 -9.532 4.191 164 H8 G 107 H8 G 107 1.133 -9.826 2.225 165 1H2 G 107 1H2 G 107 -5.955 -9.356 -0.157 166 2H2 G 107 2H2 G 107 -5.822 -9.276 1.587 167 2H2* G 107 2H2* G 107 -1.312 -11.737 4.322 168 1H G 107 1H G 107 -4.125 -9.422 -1.456 169 1H5* C 108 1H5* C 108 -0.836 -13.874 7.404 170 2H5* C 108 2H5* C 108 -1.987 -13.035 6.380 171 H4* C 108 H4* C 108 -3.373 -14.599 8.405 172 H3* C 108 H3* C 108 -1.186 -16.058 7.761 173 H2* C 108 H2* C 108 -1.310 -15.693 5.416 174 H1* C 108 H1* C 108 -4.258 -16.393 5.523 175 1H4 C 108 1H4 C 108 -2.641 -15.446 -0.513 176 2H4 C 108 2H4 C 108 -1.735 -14.028 -0.161 177 H5 C 108 H5 C 108 -1.806 -12.928 2.115 178 H6 C 108 H6 C 108 -2.420 -13.436 4.454 179 H3T C 108 H3T C 108 -2.676 -17.256 8.815 180 2H2* C 108 2H2* C 108 -2.080 -17.301 5.553 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -7.778 -14.023 -9.779 2 2H5* G 1 2H5* G 1 -6.730 -14.733 -8.529 3 H4* G 1 H4* G 1 -9.681 -14.251 -8.007 4 H3* G 1 H3* G 1 -7.454 -12.193 -7.823 5 H2* G 1 H2* G 1 -8.522 -11.450 -5.787 6 2HO* G 1 2HO* G 1 -10.607 -12.012 -7.004 7 H1* G 1 H1* G 1 -8.986 -13.903 -4.727 8 H8 G 1 H8 G 1 -5.634 -13.811 -6.568 9 1H2 G 1 1H2 G 1 -7.489 -12.075 0.449 10 2H2 G 1 2H2 G 1 -8.919 -12.083 -0.553 11 H5T G 1 H5T G 1 -8.587 -16.331 -8.352 12 1H G 1 1H G 1 -5.456 -12.422 -0.291 13 1H5* C 2 1H5* C 2 -11.456 -10.074 -7.164 14 2H5* C 2 2H5* C 2 -11.240 -8.378 -7.628 15 H4* C 2 H4* C 2 -11.752 -8.765 -5.185 16 H3* C 2 H3* C 2 -9.095 -7.424 -5.799 17 H2* C 2 H2* C 2 -8.924 -7.176 -3.404 18 2HO* C 2 2HO* C 2 -11.166 -6.746 -3.151 19 H1* C 2 H1* C 2 -9.565 -9.694 -2.781 20 1H4 C 2 1H4 C 2 -3.189 -9.337 -3.347 21 2H4 C 2 2H4 C 2 -3.306 -9.084 -5.063 22 H5 C 2 H5 C 2 -5.449 -9.279 -6.288 23 H6 C 2 H6 C 2 -7.830 -9.350 -6.008 24 1H5* A 3 1H5* A 3 -11.460 -5.159 -2.720 25 2H5* A 3 2H5* A 3 -10.781 -3.560 -2.446 26 H4* A 3 H4* A 3 -10.789 -5.450 -0.563 27 H3* A 3 H3* A 3 -8.661 -3.375 -1.040 28 H2* A 3 H2* A 3 -7.297 -4.413 0.665 29 2HO* A 3 2HO* A 3 -9.493 -4.738 1.766 30 H1* A 3 H1* A 3 -7.752 -7.020 0.052 31 H8 A 3 H8 A 3 -7.441 -5.441 -3.314 32 1H6 A 3 1H6 A 3 -1.355 -5.935 -2.628 33 2H6 A 3 2H6 A 3 -2.727 -5.704 -3.691 34 2H A 3 2H A 3 -3.245 -6.815 1.372 35 1H5* G 4 1H5* G 4 -8.880 -3.609 3.484 36 2H5* G 4 2H5* G 4 -8.377 -1.961 3.910 37 H4* G 4 H4* G 4 -6.910 -4.084 4.511 38 H3* G 4 H3* G 4 -6.005 -1.331 3.693 39 H2* G 4 H2* G 4 -3.740 -2.076 3.994 40 2HO* G 4 2HO* G 4 -3.200 -4.007 4.927 41 H1* G 4 H1* G 4 -4.028 -4.400 2.651 42 H8 G 4 H8 G 4 -6.316 -2.130 0.844 43 1H2 G 4 1H2 G 4 1.111 -1.964 1.440 44 2H2 G 4 2H2 G 4 0.253 -2.731 2.753 45 1H G 4 1H G 4 -0.046 -1.449 -0.559 46 1H5* U 5 1H5* U 5 -3.356 -2.410 7.032 47 2H5* U 5 2H5* U 5 -3.349 -1.005 8.108 48 H4* U 5 H4* U 5 -1.060 -1.616 7.411 49 H3* U 5 H3* U 5 -2.121 1.051 6.397 50 H2* U 5 H2* U 5 0.100 1.469 5.599 51 2HO* U 5 2HO* U 5 1.848 0.273 6.137 52 H1* U 5 H1* U 5 0.478 -1.072 4.603 53 H5 U 5 H5 U 5 -3.721 0.994 2.052 54 H6 U 5 H6 U 5 -2.986 0.042 4.150 55 3H U 5 3H U 5 0.279 1.383 0.885 56 1H5* G 6 1H5* G 6 1.713 2.099 7.876 57 2H5* G 6 2H5* G 6 1.558 3.618 8.755 58 H4* G 6 H4* G 6 3.214 3.806 6.969 59 H3* G 6 H3* G 6 0.663 5.382 6.466 60 H2* G 6 H2* G 6 1.899 6.363 4.653 61 2HO* G 6 2HO* G 6 3.740 6.752 5.900 62 H1* G 6 H1* G 6 3.229 4.101 3.936 63 H8 G 6 H8 G 6 -0.441 3.325 4.310 64 1H2 G 6 1H2 G 6 3.643 5.490 -1.503 65 2H2 G 6 2H2 G 6 4.456 5.483 0.024 66 1H G 6 1H G 6 1.220 5.317 -1.524 67 1H5* G 7 1H5* G 7 3.879 9.001 6.708 68 2H5* G 7 2H5* G 7 2.512 10.141 6.848 69 H4* G 7 H4* G 7 4.159 10.342 4.835 70 H3* G 7 H3* G 7 1.166 10.569 4.848 71 H2* G 7 H2* G 7 1.193 11.165 2.614 72 2HO* G 7 2HO* G 7 3.169 12.508 3.057 73 H1* G 7 H1* G 7 3.077 9.262 1.833 74 H8 G 7 H8 G 7 0.722 7.949 4.464 75 1H2 G 7 1H2 G 7 -0.247 8.911 -2.874 76 2H2 G 7 2H2 G 7 1.293 9.517 -2.319 77 1H G 7 1H G 7 -1.573 7.673 -1.546 78 1H5* C 8 1H5* C 8 0.366 14.010 2.279 79 2H5* C 8 2H5* C 8 -0.377 15.029 3.512 80 H4* C 8 H4* C 8 -1.998 14.064 1.877 81 H3* C 8 H3* C 8 -2.324 13.294 4.795 82 H2* C 8 H2* C 8 -4.399 12.244 4.109 83 2HO* C 8 2HO* C 8 -5.136 13.810 2.613 84 H1* C 8 H1* C 8 -3.354 11.048 1.904 85 1H4 C 8 1H4 C 8 -2.753 6.535 6.361 86 2H4 C 8 2H4 C 8 -1.251 7.240 6.891 87 H5 C 8 H5 C 8 -0.422 9.460 6.083 88 H6 C 8 H6 C 8 -0.851 11.236 4.531 89 H3T C 8 H3T C 8 -4.036 14.823 4.563 90 1H5* G 101 1H5* G 101 -9.050 6.968 -5.723 91 2H5* G 101 2H5* G 101 -8.502 7.574 -4.151 92 H4* G 101 H4* G 101 -8.587 9.348 -6.630 93 H3* G 101 H3* G 101 -6.506 7.318 -5.859 94 H2* G 101 H2* G 101 -4.752 8.886 -6.133 95 2HO* G 101 2HO* G 101 -6.256 9.509 -8.073 96 H1* G 101 H1* G 101 -6.017 11.155 -5.224 97 H8 G 101 H8 G 101 -6.552 8.045 -3.074 98 1H2 G 101 1H2 G 101 -1.461 13.551 -2.970 99 2H2 G 101 2H2 G 101 -2.596 13.593 -4.291 100 H5T G 101 H5T G 101 -10.737 8.234 -5.705 101 1H G 101 1H G 101 -1.666 11.812 -1.322 102 1H5* C 102 1H5* C 102 -4.772 8.544 -9.916 103 2H5* C 102 2H5* C 102 -3.988 7.048 -10.458 104 H4* C 102 H4* C 102 -2.448 8.963 -9.952 105 H3* C 102 H3* C 102 -1.981 6.333 -8.628 106 H2* C 102 H2* C 102 -0.188 7.287 -7.402 107 2HO* C 102 2HO* C 102 0.183 8.488 -9.525 108 H1* C 102 H1* C 102 -1.351 9.648 -6.837 109 1H4 C 102 1H4 C 102 -3.075 6.664 -1.418 110 2H4 C 102 2H4 C 102 -3.916 5.503 -2.381 111 H5 C 102 H5 C 102 -4.115 5.489 -4.764 112 H6 C 102 H6 C 102 -3.387 6.509 -6.794 113 1H5* C 103 1H5* C 103 2.758 7.168 -10.192 114 2H5* C 103 2H5* C 103 2.924 5.433 -10.478 115 H4* C 103 H4* C 103 4.488 6.419 -8.721 116 H3* C 103 H3* C 103 2.624 4.128 -8.048 117 H2* C 103 H2* C 103 3.505 4.137 -5.847 118 2HO* C 103 2HO* C 103 5.681 4.248 -6.529 119 H1* C 103 H1* C 103 3.774 6.863 -5.551 120 1H4 C 103 1H4 C 103 -1.162 4.376 -2.395 121 2H4 C 103 2H4 C 103 -1.911 3.875 -3.914 122 H5 C 103 H5 C 103 -1.039 4.431 -6.088 123 H6 C 103 H6 C 103 0.808 5.330 -7.271 124 1H5* A 104 1H5* A 104 7.310 3.002 -7.070 125 2H5* A 104 2H5* A 104 7.298 1.236 -7.134 126 H4* A 104 H4* A 104 8.187 2.351 -4.970 127 H3* A 104 H3* A 104 6.119 0.154 -4.935 128 H2* A 104 H2* A 104 6.174 0.291 -2.513 129 2HO* A 104 2HO* A 104 7.718 1.637 -1.471 130 H1* A 104 H1* A 104 6.083 2.977 -2.330 131 H8 A 104 H8 A 104 3.930 2.124 -5.277 132 1H6 A 104 1H6 A 104 -0.739 1.809 -1.274 133 2H6 A 104 2H6 A 104 -0.247 1.952 -2.947 134 2H A 104 2H A 104 3.008 1.599 1.082 135 1H5* C 105 1H5* C 105 8.748 -1.110 -1.927 136 2H5* C 105 2H5* C 105 8.928 -2.874 -1.945 137 H4* C 105 H4* C 105 7.989 -1.968 0.181 138 H3* C 105 H3* C 105 6.332 -3.921 -1.425 139 H2* C 105 H2* C 105 4.604 -3.685 0.290 140 H1* C 105 H1* C 105 4.805 -1.035 0.662 141 1H4 C 105 1H4 C 105 -0.056 -1.181 -3.271 142 2H4 C 105 2H4 C 105 0.994 -1.256 -4.679 143 H5 C 105 H5 C 105 3.437 -1.588 -4.469 144 H6 C 105 H6 C 105 5.257 -1.651 -2.891 145 2H2* C 105 2H2* C 105 5.765 -2.971 1.419 146 1H5* T 106 1H5* T 106 6.379 -5.208 2.885 147 2H5* T 106 2H5* T 106 6.550 -6.973 2.935 148 H4* T 106 H4* T 106 4.578 -6.159 4.243 149 H3* T 106 H3* T 106 4.174 -7.996 1.861 150 2H2* T 106 2H2* T 106 1.937 -7.354 3.812 151 H1* T 106 H1* T 106 1.764 -5.224 3.186 152 1H5M T 106 1H5M T 106 2.754 -4.451 -3.187 153 2H5M T 106 2H5M T 106 3.179 -6.148 -2.877 154 3H5M T 106 3H5M T 106 4.116 -4.830 -2.134 155 H6 T 106 H6 T 106 3.711 -5.731 0.118 156 H2* T 106 H2* T 106 1.836 -7.826 2.110 157 3H T 106 3H T 106 -0.981 -4.782 -0.347 158 1H5* G 107 1H5* G 107 2.013 -8.561 5.564 159 2H5* G 107 2H5* G 107 2.065 -10.155 6.268 160 H4* G 107 H4* G 107 -0.164 -8.877 6.336 161 H3* G 107 H3* G 107 0.193 -11.595 6.387 162 H2* G 107 H2* G 107 0.141 -11.796 4.007 163 H1* G 107 H1* G 107 -2.337 -10.025 4.148 164 H8 G 107 H8 G 107 0.820 -10.565 2.110 165 1H2 G 107 1H2 G 107 -6.213 -9.404 -0.173 166 2H2 G 107 2H2 G 107 -6.029 -9.382 1.559 167 2H2* G 107 2H2* G 107 -1.527 -12.229 4.460 168 1H G 107 1H G 107 -4.390 -9.758 -1.524 169 1H5* C 108 1H5* C 108 -2.469 -12.953 6.207 170 2H5* C 108 2H5* C 108 -4.005 -12.809 7.041 171 H4* C 108 H4* C 108 -3.268 -15.063 8.232 172 H3* C 108 H3* C 108 -1.249 -14.707 6.017 173 H2* C 108 H2* C 108 -1.639 -16.747 5.039 174 H1* C 108 H1* C 108 -4.339 -17.061 5.566 175 1H4 C 108 1H4 C 108 -3.342 -15.765 -0.577 176 2H4 C 108 2H4 C 108 -2.951 -14.108 -0.297 177 H5 C 108 H5 C 108 -2.453 -13.309 2.107 178 H6 C 108 H6 C 108 -2.787 -13.925 4.429 179 H3T C 108 H3T C 108 -0.025 -15.935 7.356 180 2H2* C 108 2H2* C 108 -2.329 -17.480 6.538 Start of MODEL 7 1 1H5* G 1 1H5* G 1 -7.018 -16.890 -8.019 2 2H5* G 1 2H5* G 1 -5.741 -16.185 -6.981 3 H4* G 1 H4* G 1 -8.763 -16.343 -6.447 4 H3* G 1 H3* G 1 -6.757 -14.193 -7.009 5 H2* G 1 H2* G 1 -7.327 -12.842 -5.155 6 2HO* G 1 2HO* G 1 -9.471 -12.885 -5.077 7 H1* G 1 H1* G 1 -7.300 -14.689 -3.251 8 H8 G 1 H8 G 1 -5.170 -13.203 -5.915 9 1H2 G 1 1H2 G 1 -3.276 -18.431 -0.914 10 2H2 G 1 2H2 G 1 -5.014 -18.295 -1.124 11 H5T G 1 H5T G 1 -7.143 -18.665 -6.671 12 1H G 1 1H G 1 -1.834 -17.114 -2.055 13 1H5* C 2 1H5* C 2 -11.145 -11.705 -6.795 14 2H5* C 2 2H5* C 2 -10.497 -10.136 -7.363 15 H4* C 2 H4* C 2 -11.706 -10.453 -5.010 16 H3* C 2 H3* C 2 -9.305 -8.639 -5.421 17 H2* C 2 H2* C 2 -9.299 -8.307 -3.020 18 2HO* C 2 2HO* C 2 -11.775 -8.587 -3.375 19 H1* C 2 H1* C 2 -9.646 -10.809 -2.230 20 1H4 C 2 1H4 C 2 -3.531 -11.662 -2.322 21 2H4 C 2 2H4 C 2 -3.488 -11.708 -4.044 22 H5 C 2 H5 C 2 -5.396 -10.902 -5.472 23 H6 C 2 H6 C 2 -7.708 -10.333 -5.396 24 1H5* A 3 1H5* A 3 -11.850 -6.707 -2.179 25 2H5* A 3 2H5* A 3 -11.490 -4.995 -2.184 26 H4* A 3 H4* A 3 -10.892 -6.504 -0.128 27 H3* A 3 H3* A 3 -8.980 -4.448 -1.263 28 H2* A 3 H2* A 3 -7.561 -4.956 0.652 29 2HO* A 3 2HO* A 3 -9.490 -5.189 1.998 30 H1* A 3 H1* A 3 -7.684 -7.619 0.353 31 H8 A 3 H8 A 3 -7.871 -6.453 -3.203 32 1H6 A 3 1H6 A 3 -1.761 -5.431 -2.855 33 2H6 A 3 2H6 A 3 -3.166 -5.499 -3.885 34 2H A 3 2H A 3 -3.267 -6.279 1.290 35 1H5* G 4 1H5* G 4 -9.244 -3.583 3.187 36 2H5* G 4 2H5* G 4 -8.743 -1.899 3.321 37 H4* G 4 H4* G 4 -7.367 -3.889 4.424 38 H3* G 4 H3* G 4 -6.291 -1.297 3.353 39 H2* G 4 H2* G 4 -4.061 -2.115 3.748 40 2HO* G 4 2HO* G 4 -5.104 -3.307 5.736 41 H1* G 4 H1* G 4 -4.357 -4.582 2.773 42 H8 G 4 H8 G 4 -6.474 -2.606 0.490 43 1H2 G 4 1H2 G 4 0.913 -2.281 1.450 44 2H2 G 4 2H2 G 4 0.049 -3.024 2.782 45 1H G 4 1H G 4 -0.207 -1.775 -0.525 46 1H5* U 5 1H5* U 5 -3.811 -2.351 6.786 47 2H5* U 5 2H5* U 5 -3.601 -0.901 7.743 48 H4* U 5 H4* U 5 -1.450 -1.942 7.011 49 H3* U 5 H3* U 5 -2.181 0.898 6.245 50 H2* U 5 H2* U 5 0.082 1.099 5.371 51 2HO* U 5 2HO* U 5 0.642 -0.361 7.328 52 H1* U 5 H1* U 5 0.173 -1.350 4.200 53 H5 U 5 H5 U 5 -3.935 1.065 1.852 54 H6 U 5 H6 U 5 -3.217 -0.030 3.841 55 3H U 5 3H U 5 0.060 1.221 0.544 56 1H5* G 6 1H5* G 6 1.751 1.548 7.521 57 2H5* G 6 2H5* G 6 1.634 2.996 8.523 58 H4* G 6 H4* G 6 3.171 3.414 6.824 59 H3* G 6 H3* G 6 0.605 4.896 6.216 60 H2* G 6 H2* G 6 2.004 5.977 4.520 61 2HO* G 6 2HO* G 6 3.714 5.826 6.256 62 H1* G 6 H1* G 6 3.221 3.717 3.689 63 H8 G 6 H8 G 6 -0.548 3.155 4.212 64 1H2 G 6 1H2 G 6 3.344 5.583 -1.669 65 2H2 G 6 2H2 G 6 4.320 5.127 -0.276 66 1H G 6 1H G 6 1.069 5.344 -1.583 67 1H5* G 7 1H5* G 7 4.174 8.248 6.924 68 2H5* G 7 2H5* G 7 3.002 9.617 6.930 69 H4* G 7 H4* G 7 4.952 9.514 5.137 70 H3* G 7 H3* G 7 2.091 10.357 4.752 71 H2* G 7 H2* G 7 2.482 10.755 2.475 72 2HO* G 7 2HO* G 7 4.565 11.730 2.783 73 H1* G 7 H1* G 7 3.867 8.460 2.007 74 H8 G 7 H8 G 7 1.024 7.702 4.455 75 1H2 G 7 1H2 G 7 1.211 8.776 -2.924 76 2H2 G 7 2H2 G 7 2.766 8.982 -2.186 77 1H G 7 1H G 7 -0.628 8.106 -1.731 78 1H5* C 8 1H5* C 8 2.104 13.358 1.719 79 2H5* C 8 2H5* C 8 1.831 14.787 2.718 80 H4* C 8 H4* C 8 -0.153 14.351 1.384 81 H3* C 8 H3* C 8 -0.471 13.815 4.342 82 H2* C 8 H2* C 8 -2.795 13.550 3.939 83 2HO* C 8 2HO* C 8 -3.621 13.892 1.747 84 H1* C 8 H1* C 8 -2.468 11.966 1.726 85 1H4 C 8 1H4 C 8 -3.079 7.806 6.387 86 2H4 C 8 2H4 C 8 -1.345 7.833 6.719 87 H5 C 8 H5 C 8 0.124 9.556 5.709 88 H6 C 8 H6 C 8 0.214 11.320 4.026 89 H3T C 8 H3T C 8 -1.296 15.840 4.338 90 1H5* G 101 1H5* G 101 -8.525 11.379 -6.434 91 2H5* G 101 2H5* G 101 -8.075 11.438 -4.708 92 H4* G 101 H4* G 101 -6.740 13.154 -6.843 93 H3* G 101 H3* G 101 -6.111 10.331 -6.061 94 H2* G 101 H2* G 101 -3.790 10.801 -6.065 95 2HO* G 101 2HO* G 101 -4.630 13.201 -7.417 96 H1* G 101 H1* G 101 -3.888 13.179 -4.771 97 H8 G 101 H8 G 101 -6.450 10.611 -3.574 98 1H2 G 101 1H2 G 101 0.648 11.681 -1.501 99 2H2 G 101 2H2 G 101 0.343 12.159 -3.136 100 H5T G 101 H5T G 101 -9.125 13.457 -6.412 101 1H G 101 1H G 101 -1.083 11.023 -0.095 102 1H5* C 102 1H5* C 102 -3.512 10.694 -9.782 103 2H5* C 102 2H5* C 102 -3.272 8.995 -10.215 104 H4* C 102 H4* C 102 -1.318 10.551 -9.339 105 H3* C 102 H3* C 102 -1.595 7.636 -8.676 106 H2* C 102 H2* C 102 0.333 7.898 -7.271 107 2HO* C 102 2HO* C 102 1.120 9.376 -9.059 108 H1* C 102 H1* C 102 -0.354 10.301 -6.244 109 1H4 C 102 1H4 C 102 -2.804 7.229 -1.432 110 2H4 C 102 2H4 C 102 -4.142 6.594 -2.294 111 H5 C 102 H5 C 102 -4.379 7.044 -4.838 112 H6 C 102 H6 C 102 -3.272 8.038 -6.738 113 1H5* C 103 1H5* C 103 2.979 8.169 -9.847 114 2H5* C 103 2H5* C 103 3.324 6.543 -10.473 115 H4* C 103 H4* C 103 4.668 7.270 -8.475 116 H3* C 103 H3* C 103 2.982 4.803 -8.072 117 H2* C 103 H2* C 103 4.169 4.657 -5.928 118 2HO* C 103 2HO* C 103 5.999 5.751 -5.526 119 H1* C 103 H1* C 103 3.837 7.319 -5.368 120 1H4 C 103 1H4 C 103 -1.121 4.676 -2.509 121 2H4 C 103 2H4 C 103 -2.066 4.612 -3.966 122 H5 C 103 H5 C 103 -1.011 5.158 -6.197 123 H6 C 103 H6 C 103 0.967 5.928 -7.281 124 1H5* A 104 1H5* A 104 7.411 3.580 -7.029 125 2H5* A 104 2H5* A 104 7.414 1.845 -7.373 126 H4* A 104 H4* A 104 8.017 2.519 -4.978 127 H3* A 104 H3* A 104 5.778 0.578 -5.489 128 H2* A 104 H2* A 104 5.410 0.456 -3.141 129 2HO* A 104 2HO* A 104 7.024 0.374 -1.956 130 H1* A 104 H1* A 104 5.778 3.085 -2.545 131 H8 A 104 H8 A 104 3.595 2.597 -5.675 132 1H6 A 104 1H6 A 104 -1.052 1.678 -1.659 133 2H6 A 104 2H6 A 104 -0.579 1.758 -3.349 134 2H A 104 2H A 104 2.729 1.772 0.672 135 1H5* C 105 1H5* C 105 8.646 -1.151 -2.380 136 2H5* C 105 2H5* C 105 8.546 -2.912 -2.393 137 H4* C 105 H4* C 105 7.945 -1.632 -0.184 138 H3* C 105 H3* C 105 6.260 -3.867 -1.359 139 H2* C 105 H2* C 105 4.594 -3.439 0.349 140 H1* C 105 H1* C 105 4.791 -0.724 0.473 141 1H4 C 105 1H4 C 105 -0.477 -1.164 -2.851 142 2H4 C 105 2H4 C 105 0.465 -1.126 -4.331 143 H5 C 105 H5 C 105 2.891 -1.330 -4.386 144 H6 C 105 H6 C 105 4.862 -1.536 -3.015 145 2H2* C 105 2H2* C 105 5.738 -2.592 1.369 146 1H5* T 106 1H5* T 106 6.036 -4.589 2.945 147 2H5* T 106 2H5* T 106 6.418 -6.277 3.320 148 H4* T 106 H4* T 106 4.205 -5.615 4.177 149 H3* T 106 H3* T 106 4.104 -7.689 1.954 150 2H2* T 106 2H2* T 106 1.828 -6.919 3.792 151 H1* T 106 H1* T 106 1.523 -4.957 2.914 152 1H5M T 106 1H5M T 106 3.242 -5.789 -2.995 153 2H5M T 106 2H5M T 106 3.888 -4.334 -2.226 154 3H5M T 106 3H5M T 106 2.518 -4.217 -3.351 155 H6 T 106 H6 T 106 3.563 -5.307 0.018 156 H2* T 106 H2* T 106 1.744 -7.660 2.173 157 3H T 106 3H T 106 -1.206 -5.310 -0.668 158 1H5* G 107 1H5* G 107 1.981 -7.818 5.751 159 2H5* G 107 2H5* G 107 1.965 -9.343 6.621 160 H4* G 107 H4* G 107 -0.210 -8.001 6.609 161 H3* G 107 H3* G 107 0.081 -10.735 6.746 162 H2* G 107 H2* G 107 -0.055 -11.084 4.411 163 H1* G 107 H1* G 107 -2.425 -9.209 4.421 164 H8 G 107 H8 G 107 0.778 -9.826 2.435 165 1H2 G 107 1H2 G 107 -6.414 -9.750 0.398 166 2H2 G 107 2H2 G 107 -6.135 -9.599 2.128 167 2H2* G 107 2H2* G 107 -1.737 -11.374 4.920 168 1H G 107 1H G 107 -4.604 -9.601 -1.050 169 1H5* C 108 1H5* C 108 -1.855 -12.713 7.795 170 2H5* C 108 2H5* C 108 -3.055 -11.823 6.861 171 H4* C 108 H4* C 108 -4.648 -12.769 8.835 172 H3* C 108 H3* C 108 -2.451 -14.301 9.366 173 H2* C 108 H2* C 108 -2.081 -15.104 7.200 174 H1* C 108 H1* C 108 -4.983 -15.643 6.652 175 1H4 C 108 1H4 C 108 -2.053 -16.255 0.953 176 2H4 C 108 2H4 C 108 -1.277 -14.711 1.214 177 H5 C 108 H5 C 108 -1.735 -13.220 3.058 178 H6 C 108 H6 C 108 -2.811 -13.053 5.193 179 H3T C 108 H3T C 108 -5.124 -15.401 9.100 180 2H2* C 108 2H2* C 108 -3.114 -16.436 7.784 Start of MODEL 8 1 1H5* G 1 1H5* G 1 -6.449 -11.334 -11.377 2 2H5* G 1 2H5* G 1 -5.520 -11.586 -9.896 3 H4* G 1 H4* G 1 -8.351 -12.572 -10.534 4 H3* G 1 H3* G 1 -7.125 -10.553 -8.615 5 H2* G 1 H2* G 1 -8.853 -11.088 -7.018 6 2HO* G 1 2HO* G 1 -10.166 -11.367 -9.150 7 H1* G 1 H1* G 1 -8.647 -13.762 -7.230 8 H8 G 1 H8 G 1 -5.144 -12.597 -7.917 9 1H2 G 1 1H2 G 1 -8.942 -12.564 -1.491 10 2H2 G 1 2H2 G 1 -9.983 -12.943 -2.856 11 H5T G 1 H5T G 1 -5.035 -13.566 -10.454 12 1H G 1 1H G 1 -6.797 -11.894 -1.735 13 1H5* C 2 1H5* C 2 -11.234 -9.590 -7.574 14 2H5* C 2 2H5* C 2 -11.264 -7.824 -7.637 15 H4* C 2 H4* C 2 -11.803 -8.712 -5.401 16 H3* C 2 H3* C 2 -9.325 -6.987 -5.618 17 H2* C 2 H2* C 2 -9.237 -7.132 -3.211 18 2HO* C 2 2HO* C 2 -11.665 -7.155 -3.058 19 H1* C 2 H1* C 2 -9.550 -9.731 -3.002 20 1H4 C 2 1H4 C 2 -3.380 -7.773 -3.502 21 2H4 C 2 2H4 C 2 -3.640 -7.540 -5.208 22 H5 C 2 H5 C 2 -5.553 -8.406 -6.407 23 H6 C 2 H6 C 2 -7.840 -9.084 -6.167 24 1H5* A 3 1H5* A 3 -11.356 -5.553 -2.214 25 2H5* A 3 2H5* A 3 -10.946 -3.871 -1.919 26 H4* A 3 H4* A 3 -10.401 -5.730 -0.183 27 H3* A 3 H3* A 3 -8.459 -3.556 -1.060 28 H2* A 3 H2* A 3 -7.027 -4.296 0.738 29 2HO* A 3 2HO* A 3 -8.860 -4.499 2.116 30 H1* A 3 H1* A 3 -7.278 -6.945 0.194 31 H8 A 3 H8 A 3 -7.402 -5.385 -3.208 32 1H6 A 3 1H6 A 3 -1.232 -5.008 -2.796 33 2H6 A 3 2H6 A 3 -2.668 -4.771 -3.792 34 2H A 3 2H A 3 -2.829 -6.023 1.280 35 1H5* G 4 1H5* G 4 -9.076 -3.269 3.590 36 2H5* G 4 2H5* G 4 -8.442 -1.639 3.933 37 H4* G 4 H4* G 4 -7.270 -3.861 4.905 38 H3* G 4 H3* G 4 -6.052 -1.225 4.122 39 H2* G 4 H2* G 4 -3.826 -2.174 4.403 40 2HO* G 4 2HO* G 4 -4.986 -3.371 6.259 41 H1* G 4 H1* G 4 -4.243 -4.563 3.224 42 H8 G 4 H8 G 4 -6.163 -2.164 1.078 43 1H2 G 4 1H2 G 4 1.186 -2.632 1.921 44 2H2 G 4 2H2 G 4 0.265 -3.261 3.278 45 1H G 4 1H G 4 0.130 -2.215 -0.109 46 1H5* U 5 1H5* U 5 -3.393 -2.516 7.396 47 2H5* U 5 2H5* U 5 -3.318 -1.086 8.437 48 H4* U 5 H4* U 5 -1.094 -1.710 7.626 49 H3* U 5 H3* U 5 -2.216 0.921 6.601 50 H2* U 5 H2* U 5 0.007 1.271 5.660 51 2HO* U 5 2HO* U 5 0.725 0.170 7.735 52 H1* U 5 H1* U 5 0.311 -1.283 4.711 53 H5 U 5 H5 U 5 -4.056 0.811 2.407 54 H6 U 5 H6 U 5 -3.171 -0.052 4.479 55 3H U 5 3H U 5 -0.173 0.807 0.825 56 1H5* G 6 1H5* G 6 1.745 2.009 8.020 57 2H5* G 6 2H5* G 6 1.552 3.583 8.794 58 H4* G 6 H4* G 6 3.151 3.719 6.986 59 H3* G 6 H3* G 6 0.537 5.160 6.356 60 H2* G 6 H2* G 6 1.803 6.045 4.473 61 2HO* G 6 2HO* G 6 3.650 6.067 6.155 62 H1* G 6 H1* G 6 3.073 3.682 3.896 63 H8 G 6 H8 G 6 -0.644 3.067 4.558 64 1H2 G 6 1H2 G 6 2.837 5.661 -1.553 65 2H2 G 6 2H2 G 6 3.924 5.433 -0.192 66 1H G 6 1H G 6 0.630 4.994 -1.410 67 1H5* G 7 1H5* G 7 3.668 8.777 6.324 68 2H5* G 7 2H5* G 7 2.394 9.991 6.240 69 H4* G 7 H4* G 7 4.247 9.740 4.408 70 H3* G 7 H3* G 7 1.399 10.409 3.873 71 H2* G 7 H2* G 7 1.832 10.506 1.571 72 2HO* G 7 2HO* G 7 4.427 10.914 2.500 73 H1* G 7 H1* G 7 3.305 8.198 1.438 74 H8 G 7 H8 G 7 0.670 7.624 4.004 75 1H2 G 7 1H2 G 7 -0.030 8.745 -3.350 76 2H2 G 7 2H2 G 7 1.573 9.036 -2.722 77 1H G 7 1H G 7 -1.596 7.628 -2.016 78 1H5* C 8 1H5* C 8 0.442 12.738 3.952 79 2H5* C 8 2H5* C 8 0.191 13.942 5.212 80 H4* C 8 H4* C 8 -1.348 12.444 6.380 81 H3* C 8 H3* C 8 -0.509 10.325 4.371 82 H2* C 8 H2* C 8 -2.724 9.490 4.400 83 2HO* C 8 2HO* C 8 -2.765 9.742 6.744 84 H1* C 8 H1* C 8 -3.910 11.981 4.427 85 1H4 C 8 1H4 C 8 -4.235 10.018 -1.460 86 2H4 C 8 2H4 C 8 -2.530 9.819 -1.763 87 H5 C 8 H5 C 8 -0.873 10.464 0.151 88 H6 C 8 H6 C 8 -0.767 11.156 2.434 89 H3T C 8 H3T C 8 -0.756 8.992 6.196 90 1H5* G 101 1H5* G 101 -9.163 7.045 -7.719 91 2H5* G 101 2H5* G 101 -9.884 8.414 -6.846 92 H4* G 101 H4* G 101 -8.833 9.296 -9.408 93 H3* G 101 H3* G 101 -7.038 7.568 -7.786 94 H2* G 101 H2* G 101 -5.298 9.092 -7.582 95 2HO* G 101 2HO* G 101 -5.735 9.522 -9.970 96 H1* G 101 H1* G 101 -6.759 11.412 -7.383 97 H8 G 101 H8 G 101 -6.784 7.926 -5.601 98 1H2 G 101 1H2 G 101 -6.447 14.996 -3.167 99 2H2 G 101 2H2 G 101 -6.475 14.834 -4.934 100 H5T G 101 H5T G 101 -10.496 7.291 -9.353 101 1H G 101 1H G 101 -6.351 13.108 -1.846 102 1H5* C 102 1H5* C 102 -4.111 8.668 -10.682 103 2H5* C 102 2H5* C 102 -3.272 7.151 -11.068 104 H4* C 102 H4* C 102 -1.813 8.971 -10.050 105 H3* C 102 H3* C 102 -2.145 6.220 -8.857 106 H2* C 102 H2* C 102 -0.520 6.782 -7.265 107 2HO* C 102 2HO* C 102 1.033 7.665 -8.506 108 H1* C 102 H1* C 102 -1.266 9.403 -6.958 109 1H4 C 102 1H4 C 102 -3.698 6.700 -1.696 110 2H4 C 102 2H4 C 102 -4.807 5.749 -2.648 111 H5 C 102 H5 C 102 -4.866 5.796 -5.125 112 H6 C 102 H6 C 102 -3.835 6.697 -7.101 113 1H5* C 103 1H5* C 103 2.354 7.032 -9.987 114 2H5* C 103 2H5* C 103 2.905 5.392 -10.392 115 H4* C 103 H4* C 103 4.257 6.424 -8.577 116 H3* C 103 H3* C 103 2.636 3.930 -7.981 117 H2* C 103 H2* C 103 3.574 4.003 -5.754 118 2HO* C 103 2HO* C 103 5.593 4.626 -6.871 119 H1* C 103 H1* C 103 3.447 6.740 -5.429 120 1H4 C 103 1H4 C 103 -1.464 4.348 -2.166 121 2H4 C 103 2H4 C 103 -2.222 3.773 -3.617 122 H5 C 103 H5 C 103 -1.271 4.100 -5.863 123 H6 C 103 H6 C 103 0.610 4.932 -7.093 124 1H5* A 104 1H5* A 104 7.048 3.192 -6.839 125 2H5* A 104 2H5* A 104 7.222 1.440 -6.790 126 H4* A 104 H4* A 104 7.675 2.816 -4.683 127 H3* A 104 H3* A 104 5.972 0.348 -4.592 128 H2* A 104 H2* A 104 5.886 0.710 -2.153 129 2HO* A 104 2HO* A 104 7.191 2.157 -1.139 130 H1* A 104 H1* A 104 5.263 3.324 -2.277 131 H8 A 104 H8 A 104 3.447 2.002 -5.303 132 1H6 A 104 1H6 A 104 -1.202 1.075 -1.273 133 2H6 A 104 2H6 A 104 -0.746 1.089 -2.973 134 2H A 104 2H A 104 2.547 1.431 1.053 135 1H5* C 105 1H5* C 105 9.391 -1.380 -1.097 136 2H5* C 105 2H5* C 105 8.672 -2.867 -1.719 137 H4* C 105 H4* C 105 8.169 -1.819 0.786 138 H3* C 105 H3* C 105 6.452 -3.587 -0.987 139 H2* C 105 H2* C 105 4.882 -3.627 0.866 140 H1* C 105 H1* C 105 4.980 -0.937 1.308 141 1H4 C 105 1H4 C 105 0.023 -1.785 -2.441 142 2H4 C 105 2H4 C 105 0.984 -1.548 -3.881 143 H5 C 105 H5 C 105 3.487 -1.456 -3.781 144 H6 C 105 H6 C 105 5.365 -1.395 -2.263 145 2H2* C 105 2H2* C 105 6.074 -2.917 1.968 146 1H5* T 106 1H5* T 106 6.782 -5.317 2.826 147 2H5* T 106 2H5* T 106 6.982 -7.071 2.860 148 H4* T 106 H4* T 106 5.033 -6.272 4.195 149 H3* T 106 H3* T 106 4.481 -8.058 1.813 150 2H2* T 106 2H2* T 106 2.441 -7.281 3.913 151 H1* T 106 H1* T 106 2.085 -5.263 3.096 152 1H5M T 106 1H5M T 106 3.691 -6.112 -2.956 153 2H5M T 106 2H5M T 106 4.575 -4.856 -2.060 154 3H5M T 106 3H5M T 106 3.220 -4.415 -3.110 155 H6 T 106 H6 T 106 4.161 -5.586 0.177 156 H2* T 106 H2* T 106 2.139 -7.902 2.274 157 3H T 106 3H T 106 -0.596 -5.560 -0.552 158 1H5* G 107 1H5* G 107 2.284 -8.765 5.461 159 2H5* G 107 2H5* G 107 2.211 -10.449 5.939 160 H4* G 107 H4* G 107 0.062 -9.168 6.180 161 H3* G 107 H3* G 107 0.400 -11.835 5.393 162 H2* G 107 H2* G 107 0.115 -11.392 3.090 163 H1* G 107 H1* G 107 -2.122 -9.445 3.853 164 H8 G 107 H8 G 107 0.965 -9.734 1.613 165 1H2 G 107 1H2 G 107 -6.146 -9.144 -0.452 166 2H2 G 107 2H2 G 107 -6.006 -9.313 1.283 167 2H2* G 107 2H2* G 107 -1.571 -11.752 3.556 168 1H G 107 1H G 107 -4.374 -8.824 -1.763 169 1H5* C 108 1H5* C 108 -2.479 -12.881 5.117 170 2H5* C 108 2H5* C 108 -3.779 -12.932 6.294 171 H4* C 108 H4* C 108 -3.167 -15.466 6.559 172 H3* C 108 H3* C 108 -1.517 -14.566 4.176 173 H2* C 108 H2* C 108 -2.317 -16.172 2.702 174 H1* C 108 H1* C 108 -4.933 -16.342 3.625 175 1H4 C 108 1H4 C 108 -3.844 -13.907 -2.063 176 2H4 C 108 2H4 C 108 -2.805 -12.677 -1.446 177 H5 C 108 H5 C 108 -2.418 -12.303 1.014 178 H6 C 108 H6 C 108 -3.026 -13.200 3.183 179 H3T C 108 H3T C 108 -0.189 -15.785 5.203 180 2H2* C 108 2H2* C 108 -2.885 -17.245 4.012 Start of MODEL 9 1 1H5* G 1 1H5* G 1 -4.730 -11.420 -7.729 2 2H5* G 1 2H5* G 1 -3.954 -12.558 -8.843 3 H4* G 1 H4* G 1 -6.247 -13.088 -9.793 4 H3* G 1 H3* G 1 -6.992 -11.029 -7.804 5 H2* G 1 H2* G 1 -8.540 -12.340 -6.561 6 2HO* G 1 2HO* G 1 -9.124 -13.061 -8.886 7 H1* G 1 H1* G 1 -7.341 -14.766 -6.604 8 H8 G 1 H8 G 1 -4.203 -13.102 -6.191 9 1H2 G 1 1H2 G 1 -9.992 -12.788 -1.460 10 2H2 G 1 2H2 G 1 -10.484 -13.154 -3.091 11 H5T G 1 H5T G 1 -4.750 -10.021 -9.304 12 1H G 1 1H G 1 -7.748 -12.842 -0.843 13 1H5* C 2 1H5* C 2 -11.299 -10.442 -7.356 14 2H5* C 2 2H5* C 2 -10.892 -8.748 -7.628 15 H4* C 2 H4* C 2 -11.504 -9.534 -5.279 16 H3* C 2 H3* C 2 -9.044 -7.846 -5.745 17 H2* C 2 H2* C 2 -8.939 -7.772 -3.333 18 2HO* C 2 2HO* C 2 -11.414 -7.830 -3.531 19 H1* C 2 H1* C 2 -9.370 -10.347 -2.850 20 1H4 C 2 1H4 C 2 -3.021 -9.079 -3.261 21 2H4 C 2 2H4 C 2 -3.131 -9.530 -4.942 22 H5 C 2 H5 C 2 -5.198 -9.647 -6.208 23 H6 C 2 H6 C 2 -7.574 -9.948 -6.002 24 1H5* A 3 1H5* A 3 -11.448 -6.155 -2.540 25 2H5* A 3 2H5* A 3 -11.036 -4.470 -2.282 26 H4* A 3 H4* A 3 -10.625 -6.218 -0.399 27 H3* A 3 H3* A 3 -8.585 -4.149 -1.275 28 H2* A 3 H2* A 3 -7.321 -4.831 0.703 29 2HO* A 3 2HO* A 3 -9.553 -5.096 1.682 30 H1* A 3 H1* A 3 -7.525 -7.468 0.218 31 H8 A 3 H8 A 3 -7.444 -6.077 -3.263 32 1H6 A 3 1H6 A 3 -1.375 -5.233 -2.473 33 2H6 A 3 2H6 A 3 -2.751 -5.256 -3.582 34 2H A 3 2H A 3 -3.168 -6.156 1.555 35 1H5* G 4 1H5* G 4 -9.115 -3.669 3.159 36 2H5* G 4 2H5* G 4 -8.695 -1.949 3.407 37 H4* G 4 H4* G 4 -7.209 -3.903 4.464 38 H3* G 4 H3* G 4 -6.390 -1.234 3.321 39 H2* G 4 H2* G 4 -4.088 -1.766 3.794 40 2HO* G 4 2HO* G 4 -4.686 -2.775 5.838 41 H1* G 4 H1* G 4 -4.135 -4.271 2.864 42 H8 G 4 H8 G 4 -6.413 -2.439 0.535 43 1H2 G 4 1H2 G 4 1.013 -2.214 1.259 44 2H2 G 4 2H2 G 4 0.114 -2.857 2.632 45 1H G 4 1H G 4 -0.122 -1.864 -0.746 46 1H5* U 5 1H5* U 5 -4.311 -1.832 7.358 47 2H5* U 5 2H5* U 5 -4.174 -0.249 8.122 48 H4* U 5 H4* U 5 -1.980 -1.506 7.747 49 H3* U 5 H3* U 5 -2.333 1.263 6.579 50 H2* U 5 H2* U 5 -0.008 1.099 5.862 51 2HO* U 5 2HO* U 5 1.139 -0.944 6.474 52 H1* U 5 H1* U 5 -0.207 -1.414 4.877 53 H5 U 5 H5 U 5 -4.000 1.071 2.180 54 H6 U 5 H6 U 5 -3.399 0.253 4.322 55 3H U 5 3H U 5 0.019 0.868 1.036 56 1H5* G 6 1H5* G 6 1.618 1.629 7.695 57 2H5* G 6 2H5* G 6 1.730 3.046 8.733 58 H4* G 6 H4* G 6 3.191 3.509 6.964 59 H3* G 6 H3* G 6 0.544 4.880 6.311 60 H2* G 6 H2* G 6 1.820 5.923 4.559 61 2HO* G 6 2HO* G 6 3.787 6.400 5.004 62 H1* G 6 H1* G 6 3.147 3.662 3.834 63 H8 G 6 H8 G 6 -0.586 3.102 4.536 64 1H2 G 6 1H2 G 6 2.966 5.226 -1.699 65 2H2 G 6 2H2 G 6 4.048 5.101 -0.323 66 1H G 6 1H G 6 0.718 4.896 -1.468 67 1H5* G 7 1H5* G 7 3.931 8.208 6.684 68 2H5* G 7 2H5* G 7 2.854 9.615 6.558 69 H4* G 7 H4* G 7 4.804 9.229 4.869 70 H3* G 7 H3* G 7 2.058 10.152 4.090 71 H2* G 7 H2* G 7 2.833 10.291 1.811 72 2HO* G 7 2HO* G 7 5.372 9.486 2.864 73 H1* G 7 H1* G 7 3.838 7.794 1.793 74 H8 G 7 H8 G 7 0.862 7.653 4.159 75 1H2 G 7 1H2 G 7 1.079 8.679 -3.244 76 2H2 G 7 2H2 G 7 2.548 9.114 -2.375 77 1H G 7 1H G 7 -0.744 7.821 -2.043 78 1H5* C 8 1H5* C 8 1.088 12.490 4.080 79 2H5* C 8 2H5* C 8 0.776 13.637 5.352 80 H4* C 8 H4* C 8 -0.985 12.313 6.251 81 H3* C 8 H3* C 8 0.066 10.015 4.642 82 H2* C 8 H2* C 8 -2.133 9.249 4.106 83 2HO* C 8 2HO* C 8 -3.427 9.447 5.853 84 H1* C 8 H1* C 8 -3.246 11.684 3.636 85 1H4 C 8 1H4 C 8 -1.581 10.414 -2.234 86 2H4 C 8 2H4 C 8 0.119 10.551 -1.932 87 H5 C 8 H5 C 8 0.971 10.908 0.341 88 H6 C 8 H6 C 8 0.297 11.082 2.652 89 H3T C 8 H3T C 8 -0.556 8.963 6.601 90 1H5* G 101 1H5* G 101 -8.011 11.355 -5.718 91 2H5* G 101 2H5* G 101 -8.537 13.026 -5.928 92 H4* G 101 H4* G 101 -7.774 12.558 -8.477 93 H3* G 101 H3* G 101 -6.543 10.333 -7.002 94 H2* G 101 H2* G 101 -4.254 11.020 -7.207 95 2HO* G 101 2HO* G 101 -5.244 11.789 -9.469 96 H1* G 101 H1* G 101 -4.444 13.656 -6.856 97 H8 G 101 H8 G 101 -5.515 10.444 -5.046 98 1H2 G 101 1H2 G 101 -4.491 17.459 -2.587 99 2H2 G 101 2H2 G 101 -4.425 17.267 -4.314 100 H5T G 101 H5T G 101 -9.791 10.793 -6.612 101 1H G 101 1H G 101 -4.700 15.515 -1.198 102 1H5* C 102 1H5* C 102 -3.759 10.406 -10.258 103 2H5* C 102 2H5* C 102 -3.394 8.742 -10.702 104 H4* C 102 H4* C 102 -1.427 10.101 -9.889 105 H3* C 102 H3* C 102 -2.271 7.484 -8.648 106 H2* C 102 H2* C 102 -0.297 7.572 -7.325 107 2HO* C 102 2HO* C 102 0.976 8.241 -9.102 108 H1* C 102 H1* C 102 -0.420 10.239 -6.777 109 1H4 C 102 1H4 C 102 -3.117 7.797 -1.542 110 2H4 C 102 2H4 C 102 -4.482 7.291 -2.492 111 H5 C 102 H5 C 102 -4.788 7.729 -4.849 112 H6 C 102 H6 C 102 -3.658 8.415 -6.858 113 1H5* C 103 1H5* C 103 2.198 6.845 -10.242 114 2H5* C 103 2H5* C 103 2.204 5.088 -10.444 115 H4* C 103 H4* C 103 3.898 6.101 -8.840 116 H3* C 103 H3* C 103 2.062 3.936 -7.743 117 H2* C 103 H2* C 103 3.479 4.121 -5.735 118 2HO* C 103 2HO* C 103 5.330 4.479 -7.143 119 H1* C 103 H1* C 103 3.328 6.794 -5.600 120 1H4 C 103 1H4 C 103 -1.638 5.040 -2.083 121 2H4 C 103 2H4 C 103 -2.690 5.207 -3.460 122 H5 C 103 H5 C 103 -1.777 5.244 -5.806 123 H6 C 103 H6 C 103 0.203 5.569 -7.110 124 1H5* A 104 1H5* A 104 6.605 3.107 -7.033 125 2H5* A 104 2H5* A 104 6.859 1.352 -7.079 126 H4* A 104 H4* A 104 7.752 2.544 -5.008 127 H3* A 104 H3* A 104 5.815 0.228 -4.808 128 H2* A 104 H2* A 104 5.913 0.426 -2.398 129 2HO* A 104 2HO* A 104 8.297 1.043 -2.956 130 H1* A 104 H1* A 104 5.753 3.107 -2.233 131 H8 A 104 H8 A 104 3.473 2.283 -5.075 132 1H6 A 104 1H6 A 104 -0.976 1.322 -1.036 133 2H6 A 104 2H6 A 104 -0.475 1.422 -2.709 134 2H A 104 2H A 104 2.880 1.498 1.284 135 1H5* C 105 1H5* C 105 8.829 -1.251 -2.115 136 2H5* C 105 2H5* C 105 8.897 -3.009 -2.250 137 H4* C 105 H4* C 105 8.167 -2.147 -0.029 138 H3* C 105 H3* C 105 6.213 -3.934 -1.489 139 H2* C 105 H2* C 105 4.772 -3.660 0.486 140 H1* C 105 H1* C 105 5.057 -0.994 0.738 141 1H4 C 105 1H4 C 105 -0.142 -1.576 -2.884 142 2H4 C 105 2H4 C 105 0.840 -1.500 -4.330 143 H5 C 105 H5 C 105 3.316 -1.688 -4.270 144 H6 C 105 H6 C 105 5.229 -1.568 -2.813 145 2H2* C 105 2H2* C 105 6.110 -2.937 1.400 146 1H5* T 106 1H5* T 106 6.747 -5.103 2.768 147 2H5* T 106 2H5* T 106 6.853 -6.856 2.981 148 H4* T 106 H4* T 106 5.088 -5.865 4.442 149 H3* T 106 H3* T 106 4.153 -7.706 2.224 150 2H2* T 106 2H2* T 106 2.536 -6.733 4.608 151 H1* T 106 H1* T 106 2.074 -4.794 3.596 152 1H5M T 106 1H5M T 106 4.207 -5.248 -1.714 153 2H5M T 106 2H5M T 106 2.975 -4.227 -2.488 154 3H5M T 106 3H5M T 106 2.895 -5.973 -2.683 155 H6 T 106 H6 T 106 3.869 -5.562 0.553 156 H2* T 106 H2* T 106 1.957 -7.455 3.077 157 3H T 106 3H T 106 -0.906 -5.392 0.132 158 1H5* G 107 1H5* G 107 2.489 -8.288 6.021 159 2H5* G 107 2H5* G 107 2.334 -9.926 6.631 160 H4* G 107 H4* G 107 0.179 -8.564 6.675 161 H3* G 107 H3* G 107 0.509 -11.280 6.091 162 H2* G 107 H2* G 107 0.430 -10.990 3.753 163 H1* G 107 H1* G 107 -1.855 -9.018 4.226 164 H8 G 107 H8 G 107 1.364 -9.298 2.196 165 1H2 G 107 1H2 G 107 -5.670 -9.637 -0.251 166 2H2 G 107 2H2 G 107 -5.609 -9.710 1.481 167 2H2* G 107 2H2* G 107 -1.274 -11.331 4.109 168 1H G 107 1H G 107 -3.900 -9.187 -1.495 169 1H5* C 108 1H5* C 108 -1.464 -13.823 6.958 170 2H5* C 108 2H5* C 108 -2.184 -12.619 5.895 171 H4* C 108 H4* C 108 -4.259 -13.856 7.534 172 H3* C 108 H3* C 108 -2.379 -15.747 7.051 173 H2* C 108 H2* C 108 -2.058 -15.170 4.770 174 H1* C 108 H1* C 108 -5.092 -15.276 4.487 175 1H4 C 108 1H4 C 108 -2.295 -14.398 -1.212 176 2H4 C 108 2H4 C 108 -1.285 -13.108 -0.601 177 H5 C 108 H5 C 108 -1.542 -12.239 1.715 178 H6 C 108 H6 C 108 -2.673 -12.700 3.883 179 H3T C 108 H3T C 108 -4.205 -17.213 6.417 180 2H2* C 108 2H2* C 108 -3.122 -16.606 4.628 Start of MODEL 10 1 1H5* G 1 1H5* G 1 -7.370 -14.213 -9.682 2 2H5* G 1 2H5* G 1 -6.389 -14.123 -8.212 3 H4* G 1 H4* G 1 -9.349 -14.791 -8.364 4 H3* G 1 H3* G 1 -7.913 -12.231 -8.133 5 H2* G 1 H2* G 1 -8.397 -11.671 -5.919 6 2HO* G 1 2HO* G 1 -10.348 -11.791 -5.350 7 H1* G 1 H1* G 1 -8.519 -14.024 -4.664 8 H8 G 1 H8 G 1 -6.050 -12.048 -6.896 9 1H2 G 1 1H2 G 1 -5.654 -15.819 -0.628 10 2H2 G 1 2H2 G 1 -7.098 -15.984 -1.523 11 H5T G 1 H5T G 1 -6.502 -16.209 -7.914 12 1H G 1 1H G 1 -3.818 -14.776 -1.576 13 1H5* C 2 1H5* C 2 -11.980 -10.712 -6.547 14 2H5* C 2 2H5* C 2 -12.024 -9.028 -7.080 15 H4* C 2 H4* C 2 -11.927 -9.381 -4.586 16 H3* C 2 H3* C 2 -9.624 -7.783 -5.780 17 H2* C 2 H2* C 2 -9.045 -7.421 -3.452 18 2HO* C 2 2HO* C 2 -10.456 -8.378 -1.818 19 H1* C 2 H1* C 2 -9.359 -9.980 -2.684 20 1H4 C 2 1H4 C 2 -3.157 -9.547 -3.877 21 2H4 C 2 2H4 C 2 -3.363 -9.574 -5.603 22 H5 C 2 H5 C 2 -5.694 -9.432 -6.638 23 H6 C 2 H6 C 2 -8.045 -9.425 -6.121 24 1H5* A 3 1H5* A 3 -11.432 -5.678 -2.342 25 2H5* A 3 2H5* A 3 -10.911 -4.008 -2.281 26 H4* A 3 H4* A 3 -10.454 -5.711 -0.415 27 H3* A 3 H3* A 3 -8.402 -3.668 -1.185 28 H2* A 3 H2* A 3 -6.987 -4.658 0.550 29 2HO* A 3 2HO* A 3 -8.647 -4.940 2.050 30 H1* A 3 H1* A 3 -7.421 -7.243 -0.055 31 H8 A 3 H8 A 3 -7.424 -5.718 -3.459 32 1H6 A 3 1H6 A 3 -1.257 -6.357 -3.096 33 2H6 A 3 2H6 A 3 -2.610 -6.097 -4.153 34 2H A 3 2H A 3 -2.896 -6.592 1.027 35 1H5* G 4 1H5* G 4 -8.893 -3.875 3.593 36 2H5* G 4 2H5* G 4 -8.372 -2.215 3.976 37 H4* G 4 H4* G 4 -6.944 -4.370 4.729 38 H3* G 4 H3* G 4 -6.052 -1.578 4.045 39 H2* G 4 H2* G 4 -3.741 -2.267 4.077 40 2HO* G 4 2HO* G 4 -4.564 -3.770 5.943 41 H1* G 4 H1* G 4 -3.944 -4.612 2.840 42 H8 G 4 H8 G 4 -6.312 -2.473 0.918 43 1H2 G 4 1H2 G 4 1.119 -2.134 1.411 44 2H2 G 4 2H2 G 4 0.260 -3.027 2.677 45 1H G 4 1H G 4 -0.138 -1.447 -0.484 46 1H5* U 5 1H5* U 5 -3.065 -2.805 7.282 47 2H5* U 5 2H5* U 5 -3.039 -1.398 8.364 48 H4* U 5 H4* U 5 -0.815 -1.881 7.368 49 H3* U 5 H3* U 5 -2.115 0.751 6.538 50 H2* U 5 H2* U 5 -0.010 1.271 5.476 51 2HO* U 5 2HO* U 5 0.868 -0.001 7.449 52 H1* U 5 H1* U 5 0.292 -1.256 4.383 53 H5 U 5 H5 U 5 -4.216 1.043 2.660 54 H6 U 5 H6 U 5 -3.188 -0.152 4.469 55 3H U 5 3H U 5 -0.481 1.285 0.746 56 1H5* G 6 1H5* G 6 1.916 1.842 7.800 57 2H5* G 6 2H5* G 6 1.754 3.362 8.679 58 H4* G 6 H4* G 6 3.347 3.598 6.863 59 H3* G 6 H3* G 6 0.739 5.113 6.478 60 H2* G 6 H2* G 6 1.904 6.152 4.629 61 2HO* G 6 2HO* G 6 3.804 6.142 6.149 62 H1* G 6 H1* G 6 3.164 3.898 3.763 63 H8 G 6 H8 G 6 -0.571 3.211 4.504 64 1H2 G 6 1H2 G 6 2.912 5.558 -1.711 65 2H2 G 6 2H2 G 6 3.995 5.611 -0.320 66 1H G 6 1H G 6 0.750 5.114 -1.484 67 1H5* G 7 1H5* G 7 3.770 8.969 6.907 68 2H5* G 7 2H5* G 7 2.355 10.040 6.858 69 H4* G 7 H4* G 7 4.243 10.060 5.009 70 H3* G 7 H3* G 7 1.281 10.513 4.621 71 H2* G 7 H2* G 7 1.700 10.799 2.268 72 2HO* G 7 2HO* G 7 3.750 11.779 3.307 73 H1* G 7 H1* G 7 3.366 8.704 1.991 74 H8 G 7 H8 G 7 0.689 7.737 4.495 75 1H2 G 7 1H2 G 7 0.475 8.714 -2.910 76 2H2 G 7 2H2 G 7 2.026 9.102 -2.156 77 1H G 7 1H G 7 -1.272 8.025 -1.653 78 1H5* C 8 1H5* C 8 2.392 13.080 1.554 79 2H5* C 8 2H5* C 8 1.937 14.703 2.088 80 H4* C 8 H4* C 8 0.840 14.284 -0.004 81 H3* C 8 H3* C 8 -1.007 14.263 2.419 82 H2* C 8 H2* C 8 -2.838 13.902 0.975 83 2HO* C 8 2HO* C 8 -1.448 15.454 -0.309 84 H1* C 8 H1* C 8 -1.652 12.127 -0.723 85 1H4 C 8 1H4 C 8 -4.890 8.466 3.247 86 2H4 C 8 2H4 C 8 -3.586 8.458 4.386 87 H5 C 8 H5 C 8 -1.608 9.952 4.149 88 H6 C 8 H6 C 8 -0.523 11.506 2.671 89 H3T C 8 H3T C 8 -0.884 16.354 1.981 90 1H5* G 101 1H5* G 101 -8.910 9.570 -7.399 91 2H5* G 101 2H5* G 101 -8.409 9.953 -5.737 92 H4* G 101 H4* G 101 -7.632 11.640 -8.157 93 H3* G 101 H3* G 101 -6.161 9.307 -6.870 94 H2* G 101 H2* G 101 -4.130 10.509 -7.376 95 2HO* G 101 2HO* G 101 -5.561 11.127 -9.413 96 H1* G 101 H1* G 101 -5.126 13.051 -6.807 97 H8 G 101 H8 G 101 -5.886 10.218 -4.277 98 1H2 G 101 1H2 G 101 0.330 14.201 -5.443 99 2H2 G 101 2H2 G 101 -0.911 14.528 -6.656 100 H5T G 101 H5T G 101 -10.345 11.076 -7.313 101 1H G 101 1H G 101 0.018 12.712 -3.824 102 1H5* C 102 1H5* C 102 -3.392 9.752 -10.552 103 2H5* C 102 2H5* C 102 -3.074 8.008 -10.786 104 H4* C 102 H4* C 102 -1.070 9.418 -10.032 105 H3* C 102 H3* C 102 -2.055 6.951 -8.595 106 H2* C 102 H2* C 102 -0.157 7.112 -7.195 107 2HO* C 102 2HO* C 102 1.571 7.658 -8.228 108 H1* C 102 H1* C 102 -0.292 9.812 -6.832 109 1H4 C 102 1H4 C 102 -2.974 7.187 -1.615 110 2H4 C 102 2H4 C 102 -4.430 6.967 -2.503 111 H5 C 102 H5 C 102 -4.636 7.215 -4.941 112 H6 C 102 H6 C 102 -3.569 8.076 -6.906 113 1H5* C 103 1H5* C 103 2.226 6.616 -10.412 114 2H5* C 103 2H5* C 103 2.644 4.908 -10.640 115 H4* C 103 H4* C 103 4.246 6.234 -9.140 116 H3* C 103 H3* C 103 2.843 3.801 -7.993 117 H2* C 103 H2* C 103 4.233 4.184 -6.020 118 2HO* C 103 2HO* C 103 6.028 4.950 -7.514 119 H1* C 103 H1* C 103 3.765 6.843 -5.885 120 1H4 C 103 1H4 C 103 -1.020 4.890 -2.135 121 2H4 C 103 2H4 C 103 -1.894 4.577 -3.604 122 H5 C 103 H5 C 103 -1.112 4.713 -5.787 123 H6 C 103 H6 C 103 0.743 5.169 -7.169 124 1H5* A 104 1H5* A 104 6.888 3.452 -6.805 125 2H5* A 104 2H5* A 104 7.386 1.768 -6.765 126 H4* A 104 H4* A 104 7.673 2.976 -4.633 127 H3* A 104 H3* A 104 5.891 0.544 -4.684 128 H2* A 104 H2* A 104 5.638 0.820 -2.281 129 2HO* A 104 2HO* A 104 7.999 1.571 -2.498 130 H1* A 104 H1* A 104 5.176 3.449 -2.291 131 H8 A 104 H8 A 104 3.460 2.288 -5.460 132 1H6 A 104 1H6 A 104 -1.328 0.974 -1.853 133 2H6 A 104 2H6 A 104 -0.762 1.357 -3.450 134 2H A 104 2H A 104 2.257 1.633 0.820 135 1H5* C 105 1H5* C 105 8.895 -0.861 -1.858 136 2H5* C 105 2H5* C 105 8.872 -2.622 -2.009 137 H4* C 105 H4* C 105 8.098 -1.623 0.180 138 H3* C 105 H3* C 105 6.343 -3.587 -1.304 139 H2* C 105 H2* C 105 4.767 -3.326 0.555 140 H1* C 105 H1* C 105 4.937 -0.645 0.796 141 1H4 C 105 1H4 C 105 -0.182 -1.722 -2.774 142 2H4 C 105 2H4 C 105 0.775 -1.814 -4.219 143 H5 C 105 H5 C 105 3.242 -1.463 -4.199 144 H6 C 105 H6 C 105 5.190 -1.268 -2.746 145 2H2* C 105 2H2* C 105 6.003 -2.524 1.545 146 1H5* T 106 1H5* T 106 6.135 -4.402 2.843 147 2H5* T 106 2H5* T 106 6.510 -6.084 3.217 148 H4* T 106 H4* T 106 4.408 -5.358 4.279 149 H3* T 106 H3* T 106 4.135 -7.429 2.097 150 2H2* T 106 2H2* T 106 1.912 -6.621 3.979 151 H1* T 106 H1* T 106 1.543 -4.699 2.968 152 1H5M T 106 1H5M T 106 2.840 -4.586 -3.314 153 2H5M T 106 2H5M T 106 3.755 -5.967 -2.668 154 3H5M T 106 3H5M T 106 4.107 -4.321 -2.105 155 H6 T 106 H6 T 106 3.757 -5.171 0.197 156 H2* T 106 H2* T 106 1.782 -7.414 2.395 157 3H T 106 3H T 106 -0.930 -5.632 -0.739 158 1H5* G 107 1H5* G 107 1.797 -7.823 5.702 159 2H5* G 107 2H5* G 107 1.827 -9.403 6.467 160 H4* G 107 H4* G 107 -0.412 -8.198 6.352 161 H3* G 107 H3* G 107 0.116 -10.909 6.317 162 H2* G 107 H2* G 107 0.027 -11.139 3.979 163 H1* G 107 H1* G 107 -2.404 -9.314 3.957 164 H8 G 107 H8 G 107 0.954 -9.751 2.099 165 1H2 G 107 1H2 G 107 -6.142 -9.636 -0.335 166 2H2 G 107 2H2 G 107 -5.974 -9.523 1.406 167 2H2* G 107 2H2* G 107 -1.662 -11.531 4.401 168 1H G 107 1H G 107 -4.266 -9.818 -1.699 169 1H5* C 108 1H5* C 108 -5.048 -10.401 5.802 170 2H5* C 108 2H5* C 108 -5.300 -11.393 7.233 171 H4* C 108 H4* C 108 -6.881 -12.263 5.732 172 H3* C 108 H3* C 108 -4.332 -13.950 5.649 173 H2* C 108 H2* C 108 -5.192 -15.301 4.042 174 H1* C 108 H1* C 108 -6.764 -13.374 2.725 175 1H4 C 108 1H4 C 108 -2.018 -13.291 -1.358 176 2H4 C 108 2H4 C 108 -0.871 -12.700 -0.205 177 H5 C 108 H5 C 108 -1.424 -12.657 2.273 178 H6 C 108 H6 C 108 -3.300 -12.855 3.855 179 H3T C 108 H3T C 108 -5.522 -13.968 7.541 180 2H2* C 108 2H2* C 108 -6.905 -14.884 4.426 Start of MODEL 11 1 1H5* G 1 1H5* G 1 -5.439 -14.889 -8.044 2 2H5* G 1 2H5* G 1 -6.519 -15.891 -8.993 3 H4* G 1 H4* G 1 -8.416 -14.805 -8.308 4 H3* G 1 H3* G 1 -6.763 -12.339 -8.133 5 H2* G 1 H2* G 1 -7.559 -11.607 -6.034 6 2HO* G 1 2HO* G 1 -9.624 -11.795 -5.886 7 H1* G 1 H1* G 1 -7.602 -13.885 -4.695 8 H8 G 1 H8 G 1 -5.294 -11.682 -6.671 9 1H2 G 1 1H2 G 1 -3.740 -16.778 -1.451 10 2H2 G 1 2H2 G 1 -5.325 -17.103 -2.147 11 H5T G 1 H5T G 1 -5.214 -13.568 -9.600 12 1H G 1 1H G 1 -2.432 -15.155 -2.086 13 1H5* C 2 1H5* C 2 -11.091 -10.804 -7.223 14 2H5* C 2 2H5* C 2 -11.006 -9.120 -7.787 15 H4* C 2 H4* C 2 -11.527 -9.450 -5.319 16 H3* C 2 H3* C 2 -9.109 -7.770 -6.051 17 H2* C 2 H2* C 2 -9.001 -7.331 -3.679 18 2HO* C 2 2HO* C 2 -10.685 -8.423 -2.322 19 H1* C 2 H1* C 2 -9.223 -9.868 -2.885 20 1H4 C 2 1H4 C 2 -2.943 -9.056 -3.518 21 2H4 C 2 2H4 C 2 -3.027 -9.208 -5.251 22 H5 C 2 H5 C 2 -5.236 -9.187 -6.471 23 H6 C 2 H6 C 2 -7.587 -9.281 -6.175 24 1H5* A 3 1H5* A 3 -11.379 -5.635 -3.032 25 2H5* A 3 2H5* A 3 -10.930 -3.956 -3.007 26 H4* A 3 H4* A 3 -10.621 -5.517 -0.980 27 H3* A 3 H3* A 3 -8.603 -3.388 -1.600 28 H2* A 3 H2* A 3 -7.282 -4.246 0.255 29 2HO* A 3 2HO* A 3 -8.933 -4.574 1.687 30 H1* A 3 H1* A 3 -7.506 -6.857 -0.275 31 H8 A 3 H8 A 3 -7.363 -5.482 -3.720 32 1H6 A 3 1H6 A 3 -1.219 -5.944 -2.950 33 2H6 A 3 2H6 A 3 -2.531 -5.749 -4.079 34 2H A 3 2H A 3 -3.129 -5.896 1.102 35 1H5* G 4 1H5* G 4 -9.338 -3.448 3.247 36 2H5* G 4 2H5* G 4 -8.851 -1.759 3.530 37 H4* G 4 H4* G 4 -7.484 -3.832 4.535 38 H3* G 4 H3* G 4 -6.465 -1.125 3.697 39 H2* G 4 H2* G 4 -4.185 -1.876 4.017 40 2HO* G 4 2HO* G 4 -5.398 -3.232 5.862 41 H1* G 4 H1* G 4 -4.397 -4.321 2.934 42 H8 G 4 H8 G 4 -6.518 -2.216 0.704 43 1H2 G 4 1H2 G 4 0.912 -2.341 1.641 44 2H2 G 4 2H2 G 4 -0.029 -3.247 2.837 45 1H G 4 1H G 4 -0.192 -1.545 -0.265 46 1H5* U 5 1H5* U 5 -3.872 -2.238 7.358 47 2H5* U 5 2H5* U 5 -3.743 -0.743 8.282 48 H4* U 5 H4* U 5 -1.558 -1.758 7.561 49 H3* U 5 H3* U 5 -2.201 1.086 6.763 50 H2* U 5 H2* U 5 -0.024 1.185 5.718 51 2HO* U 5 2HO* U 5 0.515 -0.169 7.740 52 H1* U 5 H1* U 5 -0.020 -1.369 4.698 53 H5 U 5 H5 U 5 -3.909 1.422 2.386 54 H6 U 5 H6 U 5 -3.286 0.144 4.341 55 3H U 5 3H U 5 0.053 1.209 1.032 56 1H5* G 6 1H5* G 6 2.103 1.662 7.859 57 2H5* G 6 2H5* G 6 2.012 3.145 8.809 58 H4* G 6 H4* G 6 3.482 3.541 6.965 59 H3* G 6 H3* G 6 0.804 4.894 6.472 60 H2* G 6 H2* G 6 1.973 5.946 4.653 61 2HO* G 6 2HO* G 6 3.802 6.485 5.756 62 H1* G 6 H1* G 6 3.410 3.740 3.909 63 H8 G 6 H8 G 6 -0.298 3.191 4.647 64 1H2 G 6 1H2 G 6 3.036 5.457 -1.643 65 2H2 G 6 2H2 G 6 4.186 5.293 -0.314 66 1H G 6 1H G 6 0.829 5.238 -1.312 67 1H5* G 7 1H5* G 7 4.270 8.316 6.609 68 2H5* G 7 2H5* G 7 3.105 9.664 6.705 69 H4* G 7 H4* G 7 4.781 9.578 4.715 70 H3* G 7 H3* G 7 1.806 10.187 4.602 71 H2* G 7 H2* G 7 2.048 10.729 2.391 72 2HO* G 7 2HO* G 7 4.177 11.600 3.347 73 H1* G 7 H1* G 7 3.758 8.666 1.699 74 H8 G 7 H8 G 7 1.158 7.765 4.199 75 1H2 G 7 1H2 G 7 0.448 8.743 -3.157 76 2H2 G 7 2H2 G 7 2.084 8.960 -2.597 77 1H G 7 1H G 7 -1.206 8.238 -1.745 78 1H5* C 8 1H5* C 8 2.784 15.028 3.063 79 2H5* C 8 2H5* C 8 1.540 15.255 4.273 80 H4* C 8 H4* C 8 0.353 16.087 2.583 81 H3* C 8 H3* C 8 -0.122 13.133 2.235 82 H2* C 8 H2* C 8 -1.131 13.494 0.108 83 2HO* C 8 2HO* C 8 -2.187 15.390 1.119 84 H1* C 8 H1* C 8 0.591 15.426 -0.776 85 1H4 C 8 1H4 C 8 3.583 10.618 -3.404 86 2H4 C 8 2H4 C 8 3.822 9.741 -1.908 87 H5 C 8 H5 C 8 2.757 10.607 0.324 88 H6 C 8 H6 C 8 1.681 12.470 1.255 89 H3T C 8 H3T C 8 -1.914 13.709 3.213 90 1H5* G 101 1H5* G 101 -9.620 8.914 -5.883 91 2H5* G 101 2H5* G 101 -8.585 8.862 -4.448 92 H4* G 101 H4* G 101 -8.186 10.470 -7.005 93 H3* G 101 H3* G 101 -6.678 8.238 -5.598 94 H2* G 101 H2* G 101 -4.655 9.085 -6.551 95 2HO* G 101 2HO* G 101 -6.474 10.195 -8.359 96 H1* G 101 H1* G 101 -5.206 11.720 -6.114 97 H8 G 101 H8 G 101 -6.144 9.014 -3.473 98 1H2 G 101 1H2 G 101 -0.374 13.798 -4.031 99 2H2 G 101 2H2 G 101 -1.401 13.735 -5.457 100 H5T G 101 H5T G 101 -9.224 10.801 -3.844 101 1H G 101 1H G 101 -0.898 12.465 -2.177 102 1H5* C 102 1H5* C 102 -4.938 8.263 -9.736 103 2H5* C 102 2H5* C 102 -4.345 6.621 -10.055 104 H4* C 102 H4* C 102 -2.580 8.455 -10.046 105 H3* C 102 H3* C 102 -2.249 6.048 -8.259 106 H2* C 102 H2* C 102 -0.115 7.029 -7.566 107 2HO* C 102 2HO* C 102 0.112 7.816 -9.808 108 H1* C 102 H1* C 102 -1.088 9.468 -7.066 109 1H4 C 102 1H4 C 102 -2.916 7.344 -1.363 110 2H4 C 102 2H4 C 102 -3.965 6.183 -2.084 111 H5 C 102 H5 C 102 -4.158 5.818 -4.506 112 H6 C 102 H6 C 102 -3.368 6.490 -6.612 113 1H5* C 103 1H5* C 103 1.878 6.617 -10.230 114 2H5* C 103 2H5* C 103 2.398 4.932 -10.447 115 H4* C 103 H4* C 103 3.926 6.293 -9.001 116 H3* C 103 H3* C 103 2.679 3.789 -7.873 117 H2* C 103 H2* C 103 4.021 4.240 -5.862 118 2HO* C 103 2HO* C 103 5.626 5.040 -7.548 119 H1* C 103 H1* C 103 3.493 6.913 -5.700 120 1H4 C 103 1H4 C 103 -1.131 4.517 -1.958 121 2H4 C 103 2H4 C 103 -2.010 4.104 -3.408 122 H5 C 103 H5 C 103 -1.212 4.345 -5.639 123 H6 C 103 H6 C 103 0.584 5.038 -6.999 124 1H5* A 104 1H5* A 104 6.997 3.534 -6.815 125 2H5* A 104 2H5* A 104 7.445 1.826 -7.024 126 H4* A 104 H4* A 104 7.877 2.680 -4.752 127 H3* A 104 H3* A 104 5.784 0.476 -4.987 128 H2* A 104 H2* A 104 5.781 0.500 -2.542 129 2HO* A 104 2HO* A 104 8.191 0.975 -2.994 130 H1* A 104 H1* A 104 5.797 3.211 -2.282 131 H8 A 104 H8 A 104 3.539 2.295 -5.212 132 1H6 A 104 1H6 A 104 -0.942 1.671 -0.964 133 2H6 A 104 2H6 A 104 -0.528 1.685 -2.660 134 2H A 104 2H A 104 2.989 1.679 1.176 135 1H5* C 105 1H5* C 105 8.638 -0.880 -1.994 136 2H5* C 105 2H5* C 105 8.781 -2.633 -2.048 137 H4* C 105 H4* C 105 8.024 -1.706 0.157 138 H3* C 105 H3* C 105 6.313 -3.705 -1.342 139 H2* C 105 H2* C 105 4.720 -3.568 0.474 140 H1* C 105 H1* C 105 4.869 -0.931 0.963 141 1H4 C 105 1H4 C 105 -0.359 -1.383 -2.530 142 2H4 C 105 2H4 C 105 0.552 -1.468 -4.015 143 H5 C 105 H5 C 105 3.045 -1.392 -4.036 144 H6 C 105 H6 C 105 5.011 -1.443 -2.623 145 2H2* C 105 2H2* C 105 5.924 -2.849 1.559 146 1H5* T 106 1H5* T 106 6.510 -5.099 2.652 147 2H5* T 106 2H5* T 106 6.662 -6.861 2.757 148 H4* T 106 H4* T 106 4.686 -5.914 3.943 149 H3* T 106 H3* T 106 4.184 -7.874 1.695 150 2H2* T 106 2H2* T 106 2.143 -6.939 3.724 151 H1* T 106 H1* T 106 1.885 -4.936 2.822 152 1H5M T 106 1H5M T 106 3.629 -5.938 -2.979 153 2H5M T 106 2H5M T 106 4.124 -4.336 -2.400 154 3H5M T 106 3H5M T 106 2.768 -4.492 -3.536 155 H6 T 106 H6 T 106 3.859 -5.473 -0.114 156 H2* T 106 H2* T 106 1.859 -7.632 2.110 157 3H T 106 3H T 106 -0.897 -5.272 -0.724 158 1H5* G 107 1H5* G 107 2.416 -8.088 5.550 159 2H5* G 107 2H5* G 107 2.251 -9.647 6.352 160 H4* G 107 H4* G 107 0.299 -8.055 6.568 161 H3* G 107 H3* G 107 0.215 -10.812 6.390 162 H2* G 107 H2* G 107 -0.221 -10.916 4.076 163 H1* G 107 H1* G 107 -2.170 -8.643 4.372 164 H8 G 107 H8 G 107 0.854 -9.605 2.221 165 1H2 G 107 1H2 G 107 -6.318 -8.890 0.230 166 2H2 G 107 2H2 G 107 -6.077 -8.644 1.948 167 2H2* G 107 2H2* G 107 -1.905 -10.827 4.719 168 1H G 107 1H G 107 -4.535 -9.049 -1.207 169 1H5* C 108 1H5* C 108 -1.284 -12.988 7.711 170 2H5* C 108 2H5* C 108 -2.270 -11.938 6.692 171 H4* C 108 H4* C 108 -3.918 -13.063 8.806 172 H3* C 108 H3* C 108 -2.074 -14.986 8.149 173 H2* C 108 H2* C 108 -2.262 -14.598 5.794 174 H1* C 108 H1* C 108 -5.288 -14.741 6.205 175 1H4 C 108 1H4 C 108 -4.941 -13.865 -0.108 176 2H4 C 108 2H4 C 108 -3.506 -12.881 0.007 177 H5 C 108 H5 C 108 -2.584 -12.149 2.231 178 H6 C 108 H6 C 108 -2.827 -12.517 4.633 179 H3T C 108 H3T C 108 -4.073 -16.460 7.998 180 2H2* C 108 2H2* C 108 -3.268 -16.049 5.983 Start of MODEL 12 1 1H5* G 1 1H5* G 1 -6.074 -13.265 -10.123 2 2H5* G 1 2H5* G 1 -6.574 -14.949 -9.893 3 H4* G 1 H4* G 1 -8.882 -13.884 -9.137 4 H3* G 1 H3* G 1 -6.879 -11.615 -8.614 5 H2* G 1 H2* G 1 -8.216 -11.158 -6.672 6 2HO* G 1 2HO* G 1 -10.135 -11.842 -8.175 7 H1* G 1 H1* G 1 -8.642 -13.820 -6.053 8 H8 G 1 H8 G 1 -5.605 -11.451 -6.667 9 1H2 G 1 1H2 G 1 -7.033 -16.717 -1.572 10 2H2 G 1 2H2 G 1 -8.463 -16.118 -2.433 11 H5T G 1 H5T G 1 -6.976 -14.232 -12.018 12 1H G 1 1H G 1 -5.037 -15.671 -1.862 13 1H5* C 2 1H5* C 2 -10.861 -9.804 -7.847 14 2H5* C 2 2H5* C 2 -10.704 -8.066 -8.128 15 H4* C 2 H4* C 2 -11.343 -8.727 -5.759 16 H3* C 2 H3* C 2 -8.754 -7.179 -6.082 17 H2* C 2 H2* C 2 -8.718 -7.126 -3.667 18 2HO* C 2 2HO* C 2 -11.161 -6.995 -3.680 19 H1* C 2 H1* C 2 -9.217 -9.719 -3.308 20 1H4 C 2 1H4 C 2 -2.832 -8.873 -3.581 21 2H4 C 2 2H4 C 2 -2.918 -8.583 -5.308 22 H5 C 2 H5 C 2 -4.992 -8.904 -6.605 23 H6 C 2 H6 C 2 -7.381 -9.134 -6.411 24 1H5* A 3 1H5* A 3 -11.144 -5.326 -2.928 25 2H5* A 3 2H5* A 3 -10.608 -3.706 -2.554 26 H4* A 3 H4* A 3 -10.542 -5.664 -0.798 27 H3* A 3 H3* A 3 -8.501 -3.481 -1.058 28 H2* A 3 H2* A 3 -7.182 -4.537 0.706 29 2HO* A 3 2HO* A 3 -9.427 -5.089 1.603 30 H1* A 3 H1* A 3 -7.367 -7.074 -0.150 31 H8 A 3 H8 A 3 -7.251 -5.416 -3.445 32 1H6 A 3 1H6 A 3 -1.137 -6.023 -2.901 33 2H6 A 3 2H6 A 3 -2.526 -5.852 -3.955 34 2H A 3 2H A 3 -2.942 -6.175 1.236 35 1H5* G 4 1H5* G 4 -9.085 -3.560 3.705 36 2H5* G 4 2H5* G 4 -8.651 -1.862 3.975 37 H4* G 4 H4* G 4 -7.209 -3.879 4.867 38 H3* G 4 H3* G 4 -6.107 -1.221 4.006 39 H2* G 4 H2* G 4 -3.869 -2.171 4.223 40 2HO* G 4 2HO* G 4 -5.116 -3.407 6.078 41 H1* G 4 H1* G 4 -4.307 -4.565 3.085 42 H8 G 4 H8 G 4 -6.436 -2.320 1.056 43 1H2 G 4 1H2 G 4 0.985 -2.407 1.636 44 2H2 G 4 2H2 G 4 0.068 -3.101 2.976 45 1H G 4 1H G 4 -0.167 -1.872 -0.383 46 1H5* U 5 1H5* U 5 -3.359 -2.535 7.208 47 2H5* U 5 2H5* U 5 -3.144 -1.197 8.326 48 H4* U 5 H4* U 5 -1.021 -2.037 7.449 49 H3* U 5 H3* U 5 -1.784 0.833 6.825 50 H2* U 5 H2* U 5 0.364 1.067 5.732 51 2HO* U 5 2HO* U 5 1.000 -0.506 7.630 52 H1* U 5 H1* U 5 0.430 -1.364 4.544 53 H5 U 5 H5 U 5 -3.851 0.871 2.388 54 H6 U 5 H6 U 5 -3.001 -0.135 4.402 55 3H U 5 3H U 5 0.073 1.126 0.937 56 1H5* G 6 1H5* G 6 2.270 1.649 7.632 57 2H5* G 6 2H5* G 6 2.183 3.150 8.555 58 H4* G 6 H4* G 6 3.476 3.452 6.641 59 H3* G 6 H3* G 6 0.865 4.938 6.251 60 H2* G 6 H2* G 6 2.159 5.921 4.372 61 2HO* G 6 2HO* G 6 4.374 4.334 5.251 62 H1* G 6 H1* G 6 3.069 3.510 3.503 63 H8 G 6 H8 G 6 -0.491 3.104 4.627 64 1H2 G 6 1H2 G 6 2.455 5.204 -1.883 65 2H2 G 6 2H2 G 6 3.597 4.650 -0.679 66 1H G 6 1H G 6 0.211 4.964 -1.468 67 1H5* G 7 1H5* G 7 4.367 8.314 6.285 68 2H5* G 7 2H5* G 7 3.233 9.697 6.296 69 H4* G 7 H4* G 7 4.987 9.425 4.382 70 H3* G 7 H3* G 7 2.158 10.337 4.157 71 H2* G 7 H2* G 7 2.385 10.601 1.829 72 2HO* G 7 2HO* G 7 4.535 11.480 1.896 73 H1* G 7 H1* G 7 3.652 8.246 1.414 74 H8 G 7 H8 G 7 1.065 7.627 4.121 75 1H2 G 7 1H2 G 7 0.489 8.458 -3.313 76 2H2 G 7 2H2 G 7 2.093 8.701 -2.693 77 1H G 7 1H G 7 -1.213 7.821 -1.910 78 1H5* C 8 1H5* C 8 2.262 12.615 0.937 79 2H5* C 8 2H5* C 8 1.997 14.285 1.443 80 H4* C 8 H4* C 8 0.046 13.560 0.286 81 H3* C 8 H3* C 8 -0.264 13.917 3.288 82 H2* C 8 H2* C 8 -2.566 13.468 3.084 83 2HO* C 8 2HO* C 8 -3.570 13.382 1.010 84 H1* C 8 H1* C 8 -2.366 11.415 1.301 85 1H4 C 8 1H4 C 8 -2.697 8.005 6.434 86 2H4 C 8 2H4 C 8 -0.959 8.009 6.573 87 H5 C 8 H5 C 8 0.445 9.811 5.447 88 H6 C 8 H6 C 8 0.417 11.289 3.568 89 H3T C 8 H3T C 8 -1.512 15.741 2.389 90 1H5* G 101 1H5* G 101 -8.881 11.936 -7.113 91 2H5* G 101 2H5* G 101 -8.381 11.440 -5.477 92 H4* G 101 H4* G 101 -6.708 12.870 -7.596 93 H3* G 101 H3* G 101 -6.680 10.058 -6.474 94 H2* G 101 H2* G 101 -4.275 10.084 -6.590 95 2HO* G 101 2HO* G 101 -4.832 11.346 -8.619 96 H1* G 101 H1* G 101 -3.871 12.586 -5.584 97 H8 G 101 H8 G 101 -6.849 10.639 -4.089 98 1H2 G 101 1H2 G 101 0.321 11.245 -1.891 99 2H2 G 101 2H2 G 101 0.085 11.652 -3.533 100 H5T G 101 H5T G 101 -8.201 14.136 -6.327 101 1H G 101 1H G 101 -1.493 10.572 -0.559 102 1H5* C 102 1H5* C 102 -4.112 9.646 -10.541 103 2H5* C 102 2H5* C 102 -4.049 7.871 -10.640 104 H4* C 102 H4* C 102 -1.884 9.299 -10.172 105 H3* C 102 H3* C 102 -2.507 6.691 -8.827 106 H2* C 102 H2* C 102 -0.400 6.967 -7.651 107 2HO* C 102 2HO* C 102 0.200 8.136 -9.820 108 H1* C 102 H1* C 102 -0.767 9.551 -7.012 109 1H4 C 102 1H4 C 102 -3.262 7.260 -1.671 110 2H4 C 102 2H4 C 102 -4.648 6.683 -2.515 111 H5 C 102 H5 C 102 -4.959 6.864 -4.980 112 H6 C 102 H6 C 102 -3.904 7.521 -7.035 113 1H5* C 103 1H5* C 103 1.785 6.639 -10.195 114 2H5* C 103 2H5* C 103 2.254 4.985 -10.619 115 H4* C 103 H4* C 103 3.619 5.999 -8.768 116 H3* C 103 H3* C 103 1.956 3.556 -8.076 117 H2* C 103 H2* C 103 2.826 3.698 -5.895 118 2HO* C 103 2HO* C 103 4.951 3.930 -6.426 119 H1* C 103 H1* C 103 2.847 6.455 -5.678 120 1H4 C 103 1H4 C 103 -1.988 4.349 -2.173 121 2H4 C 103 2H4 C 103 -3.009 4.115 -3.562 122 H5 C 103 H5 C 103 -2.096 4.284 -5.904 123 H6 C 103 H6 C 103 -0.145 4.908 -7.211 124 1H5* A 104 1H5* A 104 7.120 2.561 -7.088 125 2H5* A 104 2H5* A 104 6.706 0.860 -6.800 126 H4* A 104 H4* A 104 7.827 2.451 -4.930 127 H3* A 104 H3* A 104 5.961 0.123 -4.560 128 H2* A 104 H2* A 104 5.962 0.616 -2.173 129 2HO* A 104 2HO* A 104 7.432 2.083 -1.263 130 H1* A 104 H1* A 104 5.563 3.241 -2.369 131 H8 A 104 H8 A 104 3.472 1.910 -5.267 132 1H6 A 104 1H6 A 104 -0.997 1.497 -1.040 133 2H6 A 104 2H6 A 104 -0.617 1.452 -2.742 134 2H A 104 2H A 104 2.865 1.798 1.136 135 1H5* C 105 1H5* C 105 8.625 -0.559 -1.307 136 2H5* C 105 2H5* C 105 9.021 -2.281 -1.218 137 H4* C 105 H4* C 105 7.792 -1.416 0.762 138 H3* C 105 H3* C 105 6.416 -3.585 -0.846 139 H2* C 105 H2* C 105 4.614 -3.436 0.795 140 H1* C 105 H1* C 105 4.508 -0.742 0.967 141 1H4 C 105 1H4 C 105 0.063 -1.673 -3.409 142 2H4 C 105 2H4 C 105 1.296 -1.343 -4.623 143 H5 C 105 H5 C 105 3.679 -1.667 -4.202 144 H6 C 105 H6 C 105 5.329 -1.488 -2.475 145 2H2* C 105 2H2* C 105 5.635 -2.504 1.904 146 1H5* T 106 1H5* T 106 6.126 -4.545 3.440 147 2H5* T 106 2H5* T 106 6.400 -6.276 3.709 148 H4* T 106 H4* T 106 4.247 -5.506 4.676 149 H3* T 106 H3* T 106 4.094 -7.487 2.377 150 2H2* T 106 2H2* T 106 1.859 -6.677 4.273 151 H1* T 106 H1* T 106 1.449 -4.813 3.102 152 1H5M T 106 1H5M T 106 3.852 -6.158 -2.707 153 2H5M T 106 2H5M T 106 4.661 -5.026 -1.617 154 3H5M T 106 3H5M T 106 3.458 -4.427 -2.769 155 H6 T 106 H6 T 106 3.931 -5.369 0.562 156 H2* T 106 H2* T 106 1.723 -7.506 2.694 157 3H T 106 3H T 106 -0.648 -5.979 -0.723 158 1H5* G 107 1H5* G 107 1.701 -7.971 5.983 159 2H5* G 107 2H5* G 107 1.754 -9.601 6.643 160 H4* G 107 H4* G 107 -0.520 -8.468 6.714 161 H3* G 107 H3* G 107 -0.013 -11.154 6.386 162 H2* G 107 H2* G 107 -0.003 -11.067 3.991 163 H1* G 107 H1* G 107 -2.518 -9.353 4.216 164 H8 G 107 H8 G 107 0.807 -9.630 2.292 165 1H2 G 107 1H2 G 107 -6.238 -9.341 -0.249 166 2H2 G 107 2H2 G 107 -6.142 -9.319 1.505 167 2H2* G 107 2H2* G 107 -1.685 -11.556 4.333 168 1H G 107 1H G 107 -4.340 -9.262 -1.532 169 1H5* C 108 1H5* C 108 -1.231 -13.220 7.305 170 2H5* C 108 2H5* C 108 -2.552 -12.765 6.249 171 H4* C 108 H4* C 108 -3.497 -14.629 8.299 172 H3* C 108 H3* C 108 -0.908 -15.276 7.701 173 H2* C 108 H2* C 108 -1.132 -14.943 5.392 174 H1* C 108 H1* C 108 -3.657 -16.648 5.488 175 1H4 C 108 1H4 C 108 -1.882 -15.495 -0.524 176 2H4 C 108 2H4 C 108 -1.798 -13.777 -0.266 177 H5 C 108 H5 C 108 -2.085 -12.767 2.006 178 H6 C 108 H6 C 108 -2.827 -13.271 4.294 179 H3T C 108 H3T C 108 -1.566 -17.552 7.479 180 2H2* C 108 2H2* C 108 -1.274 -16.713 5.465 Start of MODEL 13 1 1H5* G 1 1H5* G 1 -5.996 -12.712 -11.077 2 2H5* G 1 2H5* G 1 -4.889 -12.365 -9.754 3 H4* G 1 H4* G 1 -7.604 -13.700 -9.590 4 H3* G 1 H3* G 1 -6.438 -11.060 -8.706 5 H2* G 1 H2* G 1 -7.617 -11.193 -6.604 6 2HO* G 1 2HO* G 1 -9.310 -12.343 -8.177 7 H1* G 1 H1* G 1 -7.247 -13.833 -6.091 8 H8 G 1 H8 G 1 -4.034 -12.582 -7.717 9 1H2 G 1 1H2 G 1 -6.434 -13.077 -0.656 10 2H2 G 1 2H2 G 1 -7.694 -12.537 -1.741 11 H5T G 1 H5T G 1 -4.016 -14.144 -10.370 12 1H G 1 1H G 1 -4.236 -13.224 -1.348 13 1H5* C 2 1H5* C 2 -10.762 -10.195 -7.452 14 2H5* C 2 2H5* C 2 -10.806 -8.480 -7.856 15 H4* C 2 H4* C 2 -11.208 -8.966 -5.484 16 H3* C 2 H3* C 2 -8.725 -7.306 -5.936 17 H2* C 2 H2* C 2 -8.685 -7.187 -3.503 18 2HO* C 2 2HO* C 2 -11.165 -7.219 -3.625 19 H1* C 2 H1* C 2 -9.056 -9.779 -3.045 20 1H4 C 2 1H4 C 2 -2.723 -9.565 -3.453 21 2H4 C 2 2H4 C 2 -2.754 -9.184 -5.158 22 H5 C 2 H5 C 2 -4.878 -9.008 -6.424 23 H6 C 2 H6 C 2 -7.271 -8.997 -6.209 24 1H5* A 3 1H5* A 3 -11.346 -5.629 -2.633 25 2H5* A 3 2H5* A 3 -11.000 -3.943 -2.283 26 H4* A 3 H4* A 3 -10.587 -5.823 -0.476 27 H3* A 3 H3* A 3 -8.670 -3.550 -1.069 28 H2* A 3 H2* A 3 -7.189 -4.428 0.637 29 2HO* A 3 2HO* A 3 -9.257 -4.855 1.808 30 H1* A 3 H1* A 3 -7.399 -7.054 -0.026 31 H8 A 3 H8 A 3 -7.453 -5.273 -3.342 32 1H6 A 3 1H6 A 3 -1.399 -6.348 -3.383 33 2H6 A 3 2H6 A 3 -2.840 -5.884 -4.276 34 2H A 3 2H A 3 -2.861 -6.694 0.886 35 1H5* G 4 1H5* G 4 -9.163 -3.317 3.706 36 2H5* G 4 2H5* G 4 -8.557 -1.658 3.904 37 H4* G 4 H4* G 4 -7.299 -3.780 4.901 38 H3* G 4 H3* G 4 -6.055 -1.225 3.921 39 H2* G 4 H2* G 4 -3.865 -2.279 4.119 40 2HO* G 4 2HO* G 4 -5.035 -3.389 6.053 41 H1* G 4 H1* G 4 -4.419 -4.617 2.989 42 H8 G 4 H8 G 4 -6.431 -2.245 0.943 43 1H2 G 4 1H2 G 4 0.929 -2.581 1.786 44 2H2 G 4 2H2 G 4 -0.018 -3.233 3.122 45 1H G 4 1H G 4 -0.123 -2.030 -0.265 46 1H5* U 5 1H5* U 5 -3.295 -2.642 7.021 47 2H5* U 5 2H5* U 5 -3.155 -1.344 8.203 48 H4* U 5 H4* U 5 -0.958 -2.070 7.468 49 H3* U 5 H3* U 5 -1.794 0.730 6.673 50 H2* U 5 H2* U 5 0.404 1.032 5.720 51 2HO* U 5 2HO* U 5 1.004 -0.445 7.712 52 H1* U 5 H1* U 5 0.634 -1.419 4.613 53 H5 U 5 H5 U 5 -3.669 0.715 2.327 54 H6 U 5 H6 U 5 -2.843 -0.283 4.343 55 3H U 5 3H U 5 0.273 0.966 0.907 56 1H5* G 6 1H5* G 6 2.218 1.817 7.855 57 2H5* G 6 2H5* G 6 1.931 3.340 8.701 58 H4* G 6 H4* G 6 3.407 3.686 6.861 59 H3* G 6 H3* G 6 0.684 4.907 6.275 60 H2* G 6 H2* G 6 1.878 5.901 4.404 61 2HO* G 6 2HO* G 6 3.736 6.138 5.932 62 H1* G 6 H1* G 6 3.244 3.594 3.721 63 H8 G 6 H8 G 6 -0.402 3.028 4.627 64 1H2 G 6 1H2 G 6 2.574 5.805 -1.638 65 2H2 G 6 2H2 G 6 3.779 5.505 -0.408 66 1H G 6 1H G 6 0.388 5.262 -1.327 67 1H5* G 7 1H5* G 7 4.106 8.416 6.409 68 2H5* G 7 2H5* G 7 2.884 9.718 6.323 69 H4* G 7 H4* G 7 4.811 9.597 4.530 70 H3* G 7 H3* G 7 1.912 10.373 4.344 71 H2* G 7 H2* G 7 2.112 10.716 2.061 72 2HO* G 7 2HO* G 7 4.381 11.647 2.709 73 H1* G 7 H1* G 7 3.715 8.577 1.506 74 H8 G 7 H8 G 7 0.999 7.591 3.938 75 1H2 G 7 1H2 G 7 0.688 9.384 -3.356 76 2H2 G 7 2H2 G 7 2.233 9.742 -2.621 77 1H G 7 1H G 7 -1.023 8.496 -2.120 78 1H5* C 8 1H5* C 8 2.421 12.809 1.539 79 2H5* C 8 2H5* C 8 1.744 14.391 1.976 80 H4* C 8 H4* C 8 0.340 13.271 0.257 81 H3* C 8 H3* C 8 -0.831 13.591 3.047 82 H2* C 8 H2* C 8 -2.885 12.781 2.281 83 2HO* C 8 2HO* C 8 -1.956 12.792 -0.420 84 H1* C 8 H1* C 8 -1.812 10.806 0.610 85 1H4 C 8 1H4 C 8 -2.526 6.728 5.111 86 2H4 C 8 2H4 C 8 -1.191 7.389 5.993 87 H5 C 8 H5 C 8 -0.118 9.589 5.417 88 H6 C 8 H6 C 8 -0.031 11.255 3.772 89 H3T C 8 H3T C 8 -1.859 15.328 1.971 90 1H5* G 101 1H5* G 101 -8.720 9.751 -5.777 91 2H5* G 101 2H5* G 101 -7.312 9.901 -4.722 92 H4* G 101 H4* G 101 -7.970 11.519 -7.222 93 H3* G 101 H3* G 101 -6.186 9.256 -6.596 94 H2* G 101 H2* G 101 -4.153 10.278 -6.827 95 2HO* G 101 2HO* G 101 -5.450 11.097 -8.986 96 H1* G 101 H1* G 101 -4.692 12.983 -6.633 97 H8 G 101 H8 G 101 -5.896 11.114 -3.708 98 1H2 G 101 1H2 G 101 1.112 12.486 -5.654 99 2H2 G 101 2H2 G 101 -0.004 12.524 -6.978 100 H5T G 101 H5T G 101 -9.123 10.919 -3.809 101 1H G 101 1H G 101 0.378 12.401 -3.441 102 1H5* C 102 1H5* C 102 -4.001 9.629 -10.581 103 2H5* C 102 2H5* C 102 -3.760 7.880 -10.806 104 H4* C 102 H4* C 102 -1.674 9.268 -10.333 105 H3* C 102 H3* C 102 -2.421 6.838 -8.719 106 H2* C 102 H2* C 102 -0.298 7.136 -7.585 107 2HO* C 102 2HO* C 102 0.411 7.951 -9.824 108 H1* C 102 H1* C 102 -0.587 9.803 -7.197 109 1H4 C 102 1H4 C 102 -3.149 7.980 -1.728 110 2H4 C 102 2H4 C 102 -4.524 7.270 -2.473 111 H5 C 102 H5 C 102 -4.741 7.154 -4.987 112 H6 C 102 H6 C 102 -3.652 7.630 -7.067 113 1H5* C 103 1H5* C 103 1.756 6.544 -10.197 114 2H5* C 103 2H5* C 103 2.191 4.849 -10.454 115 H4* C 103 H4* C 103 3.683 6.016 -8.799 116 H3* C 103 H3* C 103 1.979 3.701 -7.854 117 H2* C 103 H2* C 103 2.871 3.943 -5.720 118 2HO* C 103 2HO* C 103 5.044 4.044 -6.401 119 H1* C 103 H1* C 103 3.073 6.725 -5.718 120 1H4 C 103 1H4 C 103 -1.839 5.268 -1.934 121 2H4 C 103 2H4 C 103 -2.800 4.775 -3.288 122 H5 C 103 H5 C 103 -1.952 4.749 -5.613 123 H6 C 103 H6 C 103 -0.019 5.128 -7.000 124 1H5* A 104 1H5* A 104 7.248 2.367 -7.155 125 2H5* A 104 2H5* A 104 6.576 0.760 -6.816 126 H4* A 104 H4* A 104 7.970 2.274 -4.994 127 H3* A 104 H3* A 104 5.950 0.087 -4.538 128 H2* A 104 H2* A 104 6.041 0.589 -2.150 129 2HO* A 104 2HO* A 104 7.600 1.985 -1.302 130 H1* A 104 H1* A 104 5.802 3.247 -2.351 131 H8 A 104 H8 A 104 3.623 2.065 -5.243 132 1H6 A 104 1H6 A 104 -0.858 1.547 -1.096 133 2H6 A 104 2H6 A 104 -0.471 1.667 -2.796 134 2H A 104 2H A 104 2.961 1.819 1.130 135 1H5* C 105 1H5* C 105 8.420 -0.590 -1.163 136 2H5* C 105 2H5* C 105 8.850 -2.308 -1.099 137 H4* C 105 H4* C 105 7.594 -1.594 0.889 138 H3* C 105 H3* C 105 6.162 -3.557 -0.944 139 H2* C 105 H2* C 105 4.390 -3.543 0.738 140 H1* C 105 H1* C 105 4.364 -0.862 1.119 141 1H4 C 105 1H4 C 105 -0.107 -1.150 -3.178 142 2H4 C 105 2H4 C 105 1.072 -0.839 -4.451 143 H5 C 105 H5 C 105 3.488 -1.247 -4.093 144 H6 C 105 H6 C 105 5.161 -1.425 -2.362 145 2H2* C 105 2H2* C 105 5.448 -2.739 1.920 146 1H5* T 106 1H5* T 106 5.972 -4.838 3.189 147 2H5* T 106 2H5* T 106 6.301 -6.579 3.383 148 H4* T 106 H4* T 106 4.112 -5.914 4.391 149 H3* T 106 H3* T 106 4.095 -7.808 2.013 150 2H2* T 106 2H2* T 106 1.698 -7.235 3.771 151 H1* T 106 H1* T 106 1.347 -5.227 2.928 152 1H5M T 106 1H5M T 106 4.477 -5.173 -1.956 153 2H5M T 106 2H5M T 106 3.443 -4.016 -2.811 154 3H5M T 106 3H5M T 106 3.345 -5.734 -3.201 155 H6 T 106 H6 T 106 3.768 -5.586 0.219 156 H2* T 106 H2* T 106 1.748 -7.848 2.089 157 3H T 106 3H T 106 -0.880 -5.419 -0.977 158 1H5* G 107 1H5* G 107 1.964 -8.142 5.754 159 2H5* G 107 2H5* G 107 1.969 -9.701 6.571 160 H4* G 107 H4* G 107 -0.238 -8.469 6.679 161 H3* G 107 H3* G 107 0.195 -11.202 6.296 162 H2* G 107 H2* G 107 -0.116 -11.203 4.010 163 H1* G 107 H1* G 107 -2.403 -9.232 4.238 164 H8 G 107 H8 G 107 0.914 -9.793 2.269 165 1H2 G 107 1H2 G 107 -6.160 -9.375 -0.125 166 2H2 G 107 2H2 G 107 -5.976 -9.038 1.601 167 2H2* G 107 2H2* G 107 -1.789 -11.478 4.474 168 1H G 107 1H G 107 -4.337 -9.918 -1.407 169 1H5* C 108 1H5* C 108 -4.290 -10.203 5.561 170 2H5* C 108 2H5* C 108 -4.958 -10.880 7.055 171 H4* C 108 H4* C 108 -6.650 -11.072 5.392 172 H3* C 108 H3* C 108 -5.712 -13.302 6.785 173 H2* C 108 H2* C 108 -4.421 -14.232 5.102 174 H1* C 108 H1* C 108 -6.424 -13.365 2.982 175 1H4 C 108 1H4 C 108 -1.645 -13.623 -1.191 176 2H4 C 108 2H4 C 108 -0.413 -13.440 0.019 177 H5 C 108 H5 C 108 -1.000 -13.188 2.459 178 H6 C 108 H6 C 108 -2.875 -13.108 4.026 179 H3T C 108 H3T C 108 -7.887 -13.011 4.949 180 2H2* C 108 2H2* C 108 -5.955 -14.993 4.620 Start of MODEL 14 1 1H5* G 1 1H5* G 1 -7.701 -13.393 -10.813 2 2H5* G 1 2H5* G 1 -6.072 -13.493 -10.111 3 H4* G 1 H4* G 1 -8.671 -13.900 -8.560 4 H3* G 1 H3* G 1 -6.761 -11.540 -8.758 5 H2* G 1 H2* G 1 -7.528 -10.984 -6.581 6 2HO* G 1 2HO* G 1 -9.527 -11.248 -6.205 7 H1* G 1 H1* G 1 -7.582 -13.609 -5.691 8 H8 G 1 H8 G 1 -4.391 -12.790 -7.616 9 1H2 G 1 1H2 G 1 -6.657 -10.877 -0.766 10 2H2 G 1 2H2 G 1 -7.852 -11.642 -1.752 11 H5T G 1 H5T G 1 -7.610 -15.635 -9.449 12 1H G 1 1H G 1 -4.336 -11.214 -1.389 13 1H5* C 2 1H5* C 2 -10.854 -9.772 -7.605 14 2H5* C 2 2H5* C 2 -10.680 -8.054 -7.987 15 H4* C 2 H4* C 2 -11.111 -8.687 -5.588 16 H3* C 2 H3* C 2 -8.778 -6.865 -6.222 17 H2* C 2 H2* C 2 -8.479 -6.772 -3.806 18 2HO* C 2 2HO* C 2 -10.872 -6.844 -3.892 19 H1* C 2 H1* C 2 -8.718 -9.366 -3.272 20 1H4 C 2 1H4 C 2 -2.499 -8.182 -4.006 21 2H4 C 2 2H4 C 2 -2.622 -8.414 -5.736 22 H5 C 2 H5 C 2 -4.805 -8.765 -6.902 23 H6 C 2 H6 C 2 -7.171 -8.843 -6.553 24 1H5* A 3 1H5* A 3 -11.241 -5.191 -2.718 25 2H5* A 3 2H5* A 3 -10.723 -3.541 -2.424 26 H4* A 3 H4* A 3 -10.354 -5.481 -0.660 27 H3* A 3 H3* A 3 -8.402 -3.235 -1.212 28 H2* A 3 H2* A 3 -7.032 -4.176 0.554 29 2HO* A 3 2HO* A 3 -9.147 -4.606 1.648 30 H1* A 3 H1* A 3 -7.257 -6.784 -0.226 31 H8 A 3 H8 A 3 -7.148 -5.157 -3.521 32 1H6 A 3 1H6 A 3 -1.009 -4.729 -2.695 33 2H6 A 3 2H6 A 3 -2.366 -4.501 -3.800 34 2H A 3 2H A 3 -2.864 -5.713 1.257 35 1H5* G 4 1H5* G 4 -9.052 -3.363 3.476 36 2H5* G 4 2H5* G 4 -8.510 -1.705 3.850 37 H4* G 4 H4* G 4 -7.192 -3.853 4.737 38 H3* G 4 H3* G 4 -6.109 -1.154 3.892 39 H2* G 4 H2* G 4 -3.874 -2.018 4.348 40 2HO* G 4 2HO* G 4 -4.803 -3.261 6.234 41 H1* G 4 H1* G 4 -4.168 -4.378 3.119 42 H8 G 4 H8 G 4 -6.187 -2.045 0.994 43 1H2 G 4 1H2 G 4 1.231 -2.461 1.846 44 2H2 G 4 2H2 G 4 0.350 -3.096 3.224 45 1H G 4 1H G 4 0.142 -1.962 -0.129 46 1H5* U 5 1H5* U 5 -3.776 -2.247 7.504 47 2H5* U 5 2H5* U 5 -3.693 -0.831 8.560 48 H4* U 5 H4* U 5 -1.426 -1.612 7.915 49 H3* U 5 H3* U 5 -2.242 1.041 6.646 50 H2* U 5 H2* U 5 0.048 1.168 5.845 51 2HO* U 5 2HO* U 5 0.599 0.005 8.000 52 H1* U 5 H1* U 5 0.076 -1.398 4.951 53 H5 U 5 H5 U 5 -4.092 1.080 2.656 54 H6 U 5 H6 U 5 -3.292 0.071 4.678 55 3H U 5 3H U 5 -0.174 0.940 1.149 56 1H5* G 6 1H5* G 6 1.797 1.894 7.945 57 2H5* G 6 2H5* G 6 1.659 3.466 8.754 58 H4* G 6 H4* G 6 3.325 3.640 6.997 59 H3* G 6 H3* G 6 0.706 5.010 6.303 60 H2* G 6 H2* G 6 1.924 5.990 4.487 61 2HO* G 6 2HO* G 6 3.906 6.469 4.804 62 H1* G 6 H1* G 6 3.203 3.693 3.805 63 H8 G 6 H8 G 6 -0.489 3.102 4.715 64 1H2 G 6 1H2 G 6 2.722 5.433 -1.646 65 2H2 G 6 2H2 G 6 3.871 5.286 -0.330 66 1H G 6 1H G 6 0.499 4.977 -1.348 67 1H5* G 7 1H5* G 7 3.828 8.437 6.570 68 2H5* G 7 2H5* G 7 2.698 9.796 6.454 69 H4* G 7 H4* G 7 4.606 9.473 4.698 70 H3* G 7 H3* G 7 1.794 10.281 3.998 71 H2* G 7 H2* G 7 2.492 10.453 1.743 72 2HO* G 7 2HO* G 7 4.455 11.374 2.533 73 H1* G 7 H1* G 7 3.707 8.029 1.645 74 H8 G 7 H8 G 7 0.840 7.652 4.096 75 1H2 G 7 1H2 G 7 0.665 8.572 -3.326 76 2H2 G 7 2H2 G 7 2.262 8.773 -2.618 77 1H G 7 1H G 7 -1.136 8.021 -1.993 78 1H5* C 8 1H5* C 8 1.116 14.186 6.348 79 2H5* C 8 2H5* C 8 0.759 12.744 7.329 80 H4* C 8 H4* C 8 -1.348 13.683 6.483 81 H3* C 8 H3* C 8 -0.542 11.133 5.018 82 H2* C 8 H2* C 8 -2.538 11.373 3.720 83 2HO* C 8 2HO* C 8 -3.384 12.049 5.937 84 H1* C 8 H1* C 8 -2.442 14.173 3.594 85 1H4 C 8 1H4 C 8 -0.315 12.764 -2.202 86 2H4 C 8 2H4 C 8 0.647 11.421 -1.623 87 H5 C 8 H5 C 8 0.850 10.899 0.732 88 H6 C 8 H6 C 8 0.242 11.583 3.006 89 H3T C 8 H3T C 8 -1.838 10.224 6.415 90 1H5* G 101 1H5* G 101 -8.237 7.667 -5.669 91 2H5* G 101 2H5* G 101 -7.677 8.884 -4.511 92 H4* G 101 H4* G 101 -8.917 9.654 -7.187 93 H3* G 101 H3* G 101 -6.271 8.469 -6.631 94 H2* G 101 H2* G 101 -4.939 10.244 -7.380 95 2HO* G 101 2HO* G 101 -6.787 10.317 -9.090 96 H1* G 101 H1* G 101 -6.375 12.374 -6.457 97 H8 G 101 H8 G 101 -3.771 10.360 -5.650 98 1H2 G 101 1H2 G 101 -8.272 13.701 -0.715 99 2H2 G 101 2H2 G 101 -8.845 13.787 -2.370 100 H5T G 101 H5T G 101 -9.780 8.239 -4.090 101 1H G 101 1H G 101 -6.366 12.490 -0.187 102 1H5* C 102 1H5* C 102 -4.667 9.181 -10.053 103 2H5* C 102 2H5* C 102 -4.145 7.617 -10.729 104 H4* C 102 H4* C 102 -2.247 9.120 -10.058 105 H3* C 102 H3* C 102 -2.584 6.439 -8.713 106 H2* C 102 H2* C 102 -0.652 6.842 -7.465 107 2HO* C 102 2HO* C 102 0.482 7.583 -9.300 108 H1* C 102 H1* C 102 -1.100 9.490 -6.972 109 1H4 C 102 1H4 C 102 -3.362 7.471 -1.494 110 2H4 C 102 2H4 C 102 -4.905 7.163 -2.257 111 H5 C 102 H5 C 102 -5.226 7.108 -4.687 112 H6 C 102 H6 C 102 -4.178 7.524 -6.785 113 1H5* C 103 1H5* C 103 2.038 6.288 -10.320 114 2H5* C 103 2H5* C 103 2.099 4.517 -10.438 115 H4* C 103 H4* C 103 3.720 5.628 -8.797 116 H3* C 103 H3* C 103 1.853 3.432 -7.888 117 H2* C 103 H2* C 103 2.857 3.599 -5.736 118 2HO* C 103 2HO* C 103 4.977 3.685 -6.327 119 H1* C 103 H1* C 103 3.071 6.332 -5.667 120 1H4 C 103 1H4 C 103 -1.802 4.561 -2.009 121 2H4 C 103 2H4 C 103 -2.844 4.349 -3.411 122 H5 C 103 H5 C 103 -2.003 4.513 -5.729 123 H6 C 103 H6 C 103 -0.088 4.950 -7.082 124 1H5* A 104 1H5* A 104 6.657 2.678 -6.894 125 2H5* A 104 2H5* A 104 6.711 0.896 -6.856 126 H4* A 104 H4* A 104 7.643 2.090 -4.768 127 H3* A 104 H3* A 104 5.458 0.001 -4.569 128 H2* A 104 H2* A 104 5.698 0.222 -2.149 129 2HO* A 104 2HO* A 104 7.878 0.488 -1.872 130 H1* A 104 H1* A 104 5.577 2.864 -2.124 131 H8 A 104 H8 A 104 3.302 1.846 -4.968 132 1H6 A 104 1H6 A 104 -1.153 1.350 -0.791 133 2H6 A 104 2H6 A 104 -0.707 1.458 -2.473 134 2H A 104 2H A 104 2.814 1.351 1.397 135 1H5* C 105 1H5* C 105 8.732 -1.702 -2.455 136 2H5* C 105 2H5* C 105 8.812 -3.463 -2.350 137 H4* C 105 H4* C 105 8.387 -2.264 -0.181 138 H3* C 105 H3* C 105 6.382 -4.301 -1.124 139 H2* C 105 H2* C 105 4.966 -3.745 0.777 140 H1* C 105 H1* C 105 5.297 -1.045 0.755 141 1H4 C 105 1H4 C 105 -0.119 -1.859 -2.456 142 2H4 C 105 2H4 C 105 0.781 -1.883 -3.956 143 H5 C 105 H5 C 105 3.243 -2.000 -4.034 144 H6 C 105 H6 C 105 5.204 -1.819 -2.697 145 2H2* C 105 2H2* C 105 6.299 -2.927 1.597 146 1H5* T 106 1H5* T 106 6.558 -4.982 3.183 147 2H5* T 106 2H5* T 106 6.670 -6.739 3.417 148 H4* T 106 H4* T 106 4.704 -5.780 4.574 149 H3* T 106 H3* T 106 4.162 -7.685 2.269 150 2H2* T 106 2H2* T 106 2.252 -6.715 4.447 151 H1* T 106 H1* T 106 1.838 -4.822 3.256 152 1H5M T 106 1H5M T 106 3.515 -6.477 -2.716 153 2H5M T 106 2H5M T 106 4.688 -5.631 -1.694 154 3H5M T 106 3H5M T 106 3.578 -4.704 -2.736 155 H6 T 106 H6 T 106 4.072 -5.709 0.539 156 H2* T 106 H2* T 106 1.834 -7.519 2.911 157 3H T 106 3H T 106 -0.612 -5.420 -0.466 158 1H5* G 107 1H5* G 107 2.012 -8.406 5.792 159 2H5* G 107 2H5* G 107 1.984 -10.096 6.300 160 H4* G 107 H4* G 107 -0.248 -9.027 6.357 161 H3* G 107 H3* G 107 0.459 -11.562 5.452 162 H2* G 107 H2* G 107 0.212 -11.155 3.195 163 H1* G 107 H1* G 107 -2.149 -9.291 3.675 164 H8 G 107 H8 G 107 1.275 -9.356 1.914 165 1H2 G 107 1H2 G 107 -5.656 -8.606 -0.787 166 2H2 G 107 2H2 G 107 -5.571 -8.870 0.937 167 2H2* G 107 2H2* G 107 -1.493 -11.551 3.539 168 1H G 107 1H G 107 -3.700 -8.321 -2.018 169 1H5* C 108 1H5* C 108 -4.499 -11.462 5.088 170 2H5* C 108 2H5* C 108 -4.605 -12.334 6.628 171 H4* C 108 H4* C 108 -6.411 -13.068 5.204 172 H3* C 108 H3* C 108 -4.667 -14.836 6.453 173 H2* C 108 H2* C 108 -3.314 -15.357 4.621 174 H1* C 108 H1* C 108 -5.622 -15.313 2.681 175 1H4 C 108 1H4 C 108 -0.323 -15.318 -1.047 176 2H4 C 108 2H4 C 108 0.165 -13.829 -0.306 177 H5 C 108 H5 C 108 -0.959 -12.781 1.555 178 H6 C 108 H6 C 108 -2.934 -12.862 2.981 179 H3T C 108 H3T C 108 -6.249 -16.441 5.961 180 2H2* C 108 2H2* C 108 -4.575 -16.586 4.342 Start of MODEL 15 1 1H5* G 1 1H5* G 1 -6.335 -14.218 -9.488 2 2H5* G 1 2H5* G 1 -7.206 -15.752 -9.580 3 H4* G 1 H4* G 1 -9.224 -14.593 -8.560 4 H3* G 1 H3* G 1 -7.239 -12.309 -8.267 5 H2* G 1 H2* G 1 -8.250 -11.894 -6.085 6 2HO* G 1 2HO* G 1 -10.326 -12.595 -7.197 7 H1* G 1 H1* G 1 -8.163 -14.455 -5.264 8 H8 G 1 H8 G 1 -5.275 -13.577 -7.712 9 1H2 G 1 1H2 G 1 -5.846 -13.730 -0.248 10 2H2 G 1 2H2 G 1 -7.396 -13.716 -1.037 11 H5T G 1 H5T G 1 -7.742 -13.314 -10.927 12 1H G 1 1H G 1 -3.881 -13.469 -1.465 13 1H5* C 2 1H5* C 2 -11.230 -10.528 -6.981 14 2H5* C 2 2H5* C 2 -11.071 -8.814 -7.419 15 H4* C 2 H4* C 2 -11.500 -9.229 -5.015 16 H3* C 2 H3* C 2 -8.895 -7.810 -5.674 17 H2* C 2 H2* C 2 -8.722 -7.582 -3.246 18 2HO* C 2 2HO* C 2 -10.992 -7.195 -3.075 19 H1* C 2 H1* C 2 -9.398 -10.073 -2.603 20 1H4 C 2 1H4 C 2 -2.967 -9.640 -3.158 21 2H4 C 2 2H4 C 2 -3.136 -9.755 -4.886 22 H5 C 2 H5 C 2 -5.232 -9.874 -6.052 23 H6 C 2 H6 C 2 -7.599 -9.733 -5.829 24 1H5* A 3 1H5* A 3 -11.486 -5.657 -2.540 25 2H5* A 3 2H5* A 3 -10.857 -4.018 -2.344 26 H4* A 3 H4* A 3 -10.768 -5.837 -0.408 27 H3* A 3 H3* A 3 -8.649 -3.770 -1.090 28 H2* A 3 H2* A 3 -7.448 -4.503 0.879 29 2HO* A 3 2HO* A 3 -9.642 -4.728 1.872 30 H1* A 3 H1* A 3 -7.635 -7.132 0.358 31 H8 A 3 H8 A 3 -7.527 -5.837 -3.114 32 1H6 A 3 1H6 A 3 -1.436 -5.415 -2.613 33 2H6 A 3 2H6 A 3 -2.884 -5.237 -3.580 34 2H A 3 2H A 3 -3.123 -6.210 1.558 35 1H5* G 4 1H5* G 4 -9.472 -3.291 3.437 36 2H5* G 4 2H5* G 4 -8.920 -1.618 3.719 37 H4* G 4 H4* G 4 -7.660 -3.727 4.793 38 H3* G 4 H3* G 4 -6.520 -1.106 3.873 39 H2* G 4 H2* G 4 -4.280 -1.926 4.231 40 2HO* G 4 2HO* G 4 -5.197 -4.476 5.067 41 H1* G 4 H1* G 4 -4.551 -4.313 3.096 42 H8 G 4 H8 G 4 -6.605 -2.108 0.883 43 1H2 G 4 1H2 G 4 0.758 -2.591 1.601 44 2H2 G 4 2H2 G 4 -0.150 -3.086 3.022 45 1H G 4 1H G 4 -0.343 -2.282 -0.438 46 1H5* U 5 1H5* U 5 -3.952 -2.152 7.105 47 2H5* U 5 2H5* U 5 -3.777 -0.747 8.149 48 H4* U 5 H4* U 5 -1.638 -1.603 7.380 49 H3* U 5 H3* U 5 -2.341 1.191 6.447 50 H2* U 5 H2* U 5 -0.084 1.215 5.492 51 2HO* U 5 2HO* U 5 0.324 -0.080 7.595 52 H1* U 5 H1* U 5 -0.079 -1.357 4.562 53 H5 U 5 H5 U 5 -4.122 1.091 2.089 54 H6 U 5 H6 U 5 -3.382 0.217 4.192 55 3H U 5 3H U 5 -0.220 0.738 0.608 56 1H5* G 6 1H5* G 6 1.767 1.608 7.718 57 2H5* G 6 2H5* G 6 1.783 3.088 8.693 58 H4* G 6 H4* G 6 3.279 3.384 6.854 59 H3* G 6 H3* G 6 0.629 4.845 6.353 60 H2* G 6 H2* G 6 1.889 5.902 4.563 61 2HO* G 6 2HO* G 6 3.735 5.804 6.203 62 H1* G 6 H1* G 6 3.127 3.598 3.818 63 H8 G 6 H8 G 6 -0.661 3.073 4.426 64 1H2 G 6 1H2 G 6 2.987 5.708 -1.588 65 2H2 G 6 2H2 G 6 3.945 5.744 -0.117 66 1H G 6 1H G 6 0.812 4.945 -1.522 67 1H5* G 7 1H5* G 7 3.953 8.356 6.815 68 2H5* G 7 2H5* G 7 2.765 9.670 6.764 69 H4* G 7 H4* G 7 4.651 9.477 4.953 70 H3* G 7 H3* G 7 1.796 10.136 4.295 71 H2* G 7 H2* G 7 2.365 10.338 2.021 72 2HO* G 7 2HO* G 7 5.099 9.935 2.826 73 H1* G 7 H1* G 7 3.728 7.978 1.898 74 H8 G 7 H8 G 7 0.874 7.599 4.361 75 1H2 G 7 1H2 G 7 0.733 8.631 -3.037 76 2H2 G 7 2H2 G 7 2.319 8.866 -2.376 77 1H G 7 1H G 7 -0.959 7.727 -1.807 78 1H5* C 8 1H5* C 8 0.394 13.256 5.317 79 2H5* C 8 2H5* C 8 0.349 13.150 7.082 80 H4* C 8 H4* C 8 -1.568 11.951 6.937 81 H3* C 8 H3* C 8 0.008 9.974 5.225 82 H2* C 8 H2* C 8 -2.026 8.953 4.650 83 2HO* C 8 2HO* C 8 -2.849 8.743 6.671 84 H1* C 8 H1* C 8 -3.506 11.328 4.641 85 1H4 C 8 1H4 C 8 -3.022 10.240 -1.504 86 2H4 C 8 2H4 C 8 -1.289 10.247 -1.558 87 H5 C 8 H5 C 8 0.048 10.782 0.598 88 H6 C 8 H6 C 8 -0.186 11.007 2.975 89 H3T C 8 H3T C 8 -0.370 8.676 7.082 90 1H5* G 101 1H5* G 101 -7.533 8.223 -5.714 91 2H5* G 101 2H5* G 101 -9.161 8.848 -6.031 92 H4* G 101 H4* G 101 -8.163 9.970 -8.124 93 H3* G 101 H3* G 101 -5.698 8.815 -6.954 94 H2* G 101 H2* G 101 -4.538 10.757 -6.547 95 2HO* G 101 2HO* G 101 -5.561 11.099 -8.957 96 H1* G 101 H1* G 101 -6.556 12.659 -6.434 97 H8 G 101 H8 G 101 -7.013 9.677 -4.087 98 1H2 G 101 1H2 G 101 -3.654 16.259 -3.027 99 2H2 G 101 2H2 G 101 -3.795 15.864 -4.737 100 H5T G 101 H5T G 101 -7.575 7.272 -7.846 101 1H G 101 1H G 101 -4.530 14.934 -1.418 102 1H5* C 102 1H5* C 102 -3.709 9.930 -10.209 103 2H5* C 102 2H5* C 102 -3.004 8.474 -10.958 104 H4* C 102 H4* C 102 -1.270 9.870 -9.882 105 H3* C 102 H3* C 102 -1.922 7.174 -8.663 106 H2* C 102 H2* C 102 -0.067 7.472 -7.262 107 2HO* C 102 2HO* C 102 1.579 8.179 -8.300 108 H1* C 102 H1* C 102 -0.452 10.161 -6.820 109 1H4 C 102 1H4 C 102 -2.897 7.222 -1.584 110 2H4 C 102 2H4 C 102 -4.144 6.592 -2.588 111 H5 C 102 H5 C 102 -4.449 7.042 -4.946 112 H6 C 102 H6 C 102 -3.475 8.043 -6.897 113 1H5* C 103 1H5* C 103 2.459 7.200 -10.288 114 2H5* C 103 2H5* C 103 2.842 5.492 -10.593 115 H4* C 103 H4* C 103 4.330 6.635 -8.874 116 H3* C 103 H3* C 103 2.697 4.184 -8.133 117 H2* C 103 H2* C 103 3.748 4.289 -5.953 118 2HO* C 103 2HO* C 103 5.717 4.892 -7.188 119 H1* C 103 H1* C 103 3.625 7.016 -5.681 120 1H4 C 103 1H4 C 103 -1.206 4.579 -2.244 121 2H4 C 103 2H4 C 103 -2.046 4.170 -3.686 122 H5 C 103 H5 C 103 -1.213 4.641 -5.935 123 H6 C 103 H6 C 103 0.631 5.412 -7.221 124 1H5* A 104 1H5* A 104 7.000 3.492 -6.901 125 2H5* A 104 2H5* A 104 7.228 1.736 -6.938 126 H4* A 104 H4* A 104 7.641 2.880 -4.726 127 H3* A 104 H3* A 104 5.851 0.485 -5.031 128 H2* A 104 H2* A 104 5.470 0.579 -2.635 129 2HO* A 104 2HO* A 104 7.809 1.147 -2.535 130 H1* A 104 H1* A 104 5.198 3.235 -2.387 131 H8 A 104 H8 A 104 3.335 2.284 -5.566 132 1H6 A 104 1H6 A 104 -1.350 1.160 -1.610 133 2H6 A 104 2H6 A 104 -0.938 1.390 -3.315 134 2H A 104 2H A 104 2.325 1.484 0.741 135 1H5* C 105 1H5* C 105 8.486 -0.553 -1.712 136 2H5* C 105 2H5* C 105 8.663 -2.306 -1.797 137 H4* C 105 H4* C 105 7.610 -1.376 0.287 138 H3* C 105 H3* C 105 6.111 -3.455 -1.321 139 H2* C 105 H2* C 105 4.619 -3.482 0.625 140 H1* C 105 H1* C 105 4.434 -0.787 0.821 141 1H4 C 105 1H4 C 105 -0.506 -2.032 -2.833 142 2H4 C 105 2H4 C 105 0.472 -1.885 -4.282 143 H5 C 105 H5 C 105 2.948 -1.733 -4.194 144 H6 C 105 H6 C 105 4.855 -1.478 -2.691 145 2H2* C 105 2H2* C 105 5.773 -2.524 1.576 146 1H5* T 106 1H5* T 106 6.430 -4.631 2.645 147 2H5* T 106 2H5* T 106 6.717 -6.358 2.907 148 H4* T 106 H4* T 106 4.822 -5.554 4.175 149 H3* T 106 H3* T 106 4.127 -7.438 1.931 150 2H2* T 106 2H2* T 106 2.305 -6.658 4.225 151 H1* T 106 H1* T 106 1.683 -4.781 3.055 152 1H5M T 106 1H5M T 106 3.713 -6.326 -2.643 153 2H5M T 106 2H5M T 106 4.141 -4.702 -2.068 154 3H5M T 106 3H5M T 106 2.817 -4.914 -3.236 155 H6 T 106 H6 T 106 3.835 -5.373 0.253 156 H2* T 106 H2* T 106 1.892 -7.485 2.690 157 3H T 106 3H T 106 -0.870 -5.931 -0.507 158 1H5* G 107 1H5* G 107 2.329 -8.368 5.705 159 2H5* G 107 2H5* G 107 2.742 -10.036 6.133 160 H4* G 107 H4* G 107 0.370 -9.628 6.603 161 H3* G 107 H3* G 107 1.186 -11.525 4.403 162 H2* G 107 H2* G 107 -0.900 -11.792 3.645 163 H1* G 107 H1* G 107 -2.121 -9.386 4.430 164 H8 G 107 H8 G 107 1.117 -9.705 2.358 165 1H2 G 107 1H2 G 107 -5.962 -9.302 -0.006 166 2H2 G 107 2H2 G 107 -5.872 -9.274 1.738 167 2H2* G 107 2H2* G 107 -1.673 -11.407 5.228 168 1H G 107 1H G 107 -4.114 -9.165 -1.293 169 1H5* C 108 1H5* C 108 -2.265 -12.466 6.995 170 2H5* C 108 2H5* C 108 -1.465 -13.539 8.104 171 H4* C 108 H4* C 108 -3.594 -14.390 8.220 172 H3* C 108 H3* C 108 -1.923 -16.097 6.847 173 H2* C 108 H2* C 108 -2.448 -15.507 4.674 174 H1* C 108 H1* C 108 -5.390 -15.202 5.325 175 1H4 C 108 1H4 C 108 -5.125 -11.990 -0.230 176 2H4 C 108 2H4 C 108 -3.378 -11.864 -0.015 177 H5 C 108 H5 C 108 -2.269 -12.246 2.000 178 H6 C 108 H6 C 108 -2.422 -13.295 4.197 179 H3T C 108 H3T C 108 -3.476 -17.659 6.981 180 2H2* C 108 2H2* C 108 -3.707 -16.745 4.870 Start of MODEL 16 1 1H5* G 1 1H5* G 1 -4.746 -10.824 -10.247 2 2H5* G 1 2H5* G 1 -4.215 -11.265 -8.608 3 H4* G 1 H4* G 1 -6.720 -12.290 -10.029 4 H3* G 1 H3* G 1 -6.383 -10.091 -7.966 5 H2* G 1 H2* G 1 -8.437 -10.872 -6.934 6 2HO* G 1 2HO* G 1 -9.077 -11.442 -9.336 7 H1* G 1 H1* G 1 -7.840 -13.491 -6.885 8 H8 G 1 H8 G 1 -4.551 -11.712 -6.461 9 1H2 G 1 1H2 G 1 -10.384 -11.940 -1.865 10 2H2 G 1 2H2 G 1 -10.746 -12.315 -3.529 11 H5T G 1 H5T G 1 -3.774 -12.556 -10.889 12 1H G 1 1H G 1 -8.170 -11.778 -1.156 13 1H5* C 2 1H5* C 2 -10.444 -9.801 -7.782 14 2H5* C 2 2H5* C 2 -10.878 -8.088 -7.903 15 H4* C 2 H4* C 2 -11.353 -9.029 -5.638 16 H3* C 2 H3* C 2 -9.322 -6.813 -5.901 17 H2* C 2 H2* C 2 -9.008 -6.878 -3.585 18 2HO* C 2 2HO* C 2 -11.410 -7.232 -3.403 19 H1* C 2 H1* C 2 -9.100 -9.514 -3.155 20 1H4 C 2 1H4 C 2 -2.842 -8.110 -3.331 21 2H4 C 2 2H4 C 2 -2.913 -7.972 -5.059 22 H5 C 2 H5 C 2 -4.944 -8.398 -6.357 23 H6 C 2 H6 C 2 -7.302 -8.720 -6.230 24 1H5* A 3 1H5* A 3 -11.669 -5.494 -2.399 25 2H5* A 3 2H5* A 3 -11.294 -3.792 -2.217 26 H4* A 3 H4* A 3 -10.600 -5.630 -0.462 27 H3* A 3 H3* A 3 -8.783 -3.312 -1.210 28 H2* A 3 H2* A 3 -7.294 -4.169 0.509 29 2HO* A 3 2HO* A 3 -7.878 -5.948 1.770 30 H1* A 3 H1* A 3 -7.436 -6.734 -0.296 31 H8 A 3 H8 A 3 -7.635 -4.936 -3.558 32 1H6 A 3 1H6 A 3 -1.399 -5.009 -3.213 33 2H6 A 3 2H6 A 3 -2.790 -4.725 -4.245 34 2H A 3 2H A 3 -3.037 -6.066 0.819 35 1H5* G 4 1H5* G 4 -9.034 -3.736 3.309 36 2H5* G 4 2H5* G 4 -8.583 -2.150 3.968 37 H4* G 4 H4* G 4 -7.159 -4.276 4.548 38 H3* G 4 H3* G 4 -6.168 -1.489 4.005 39 H2* G 4 H2* G 4 -3.877 -2.284 4.166 40 2HO* G 4 2HO* G 4 -4.754 -3.780 5.932 41 H1* G 4 H1* G 4 -4.146 -4.543 2.729 42 H8 G 4 H8 G 4 -6.390 -2.084 0.992 43 1H2 G 4 1H2 G 4 1.036 -2.291 1.406 44 2H2 G 4 2H2 G 4 0.160 -3.062 2.726 45 1H G 4 1H G 4 -0.160 -1.632 -0.501 46 1H5* U 5 1H5* U 5 -3.343 -2.800 7.240 47 2H5* U 5 2H5* U 5 -3.339 -1.415 8.345 48 H4* U 5 H4* U 5 -1.094 -1.924 7.530 49 H3* U 5 H3* U 5 -2.222 0.714 6.514 50 H2* U 5 H2* U 5 0.053 1.130 5.735 51 2HO* U 5 2HO* U 5 0.575 -0.076 7.838 52 H1* U 5 H1* U 5 0.386 -1.397 4.733 53 H5 U 5 H5 U 5 -3.827 0.919 2.344 54 H6 U 5 H6 U 5 -3.066 -0.167 4.365 55 3H U 5 3H U 5 0.151 1.148 1.029 56 1H5* G 6 1H5* G 6 1.725 2.014 8.223 57 2H5* G 6 2H5* G 6 1.358 3.626 8.841 58 H4* G 6 H4* G 6 3.170 3.624 7.177 59 H3* G 6 H3* G 6 0.717 5.140 6.261 60 H2* G 6 H2* G 6 2.253 5.896 4.469 61 2HO* G 6 2HO* G 6 4.453 4.975 4.553 62 H1* G 6 H1* G 6 3.149 3.417 3.926 63 H8 G 6 H8 G 6 -0.507 3.059 4.734 64 1H2 G 6 1H2 G 6 2.875 5.596 -1.454 65 2H2 G 6 2H2 G 6 3.963 5.321 -0.110 66 1H G 6 1H G 6 0.620 5.117 -1.212 67 1H5* G 7 1H5* G 7 4.293 8.666 6.289 68 2H5* G 7 2H5* G 7 3.029 9.895 6.164 69 H4* G 7 H4* G 7 4.883 9.576 4.274 70 H3* G 7 H3* G 7 1.963 10.224 3.827 71 H2* G 7 H2* G 7 2.438 10.357 1.470 72 2HO* G 7 2HO* G 7 4.372 11.393 1.529 73 H1* G 7 H1* G 7 3.703 7.959 1.387 74 H8 G 7 H8 G 7 1.087 7.545 4.091 75 1H2 G 7 1H2 G 7 0.238 8.494 -3.283 76 2H2 G 7 2H2 G 7 1.879 8.722 -2.723 77 1H G 7 1H G 7 -1.416 7.838 -1.801 78 1H5* C 8 1H5* C 8 0.953 12.614 3.858 79 2H5* C 8 2H5* C 8 0.743 13.826 5.100 80 H4* C 8 H4* C 8 -0.911 12.487 6.236 81 H3* C 8 H3* C 8 -0.017 10.200 4.479 82 H2* C 8 H2* C 8 -2.247 9.483 4.135 83 2HO* C 8 2HO* C 8 -2.365 10.297 6.568 84 H1* C 8 H1* C 8 -3.412 11.957 3.909 85 1H4 C 8 1H4 C 8 -2.448 10.727 -2.178 86 2H4 C 8 2H4 C 8 -0.703 10.639 -2.064 87 H5 C 8 H5 C 8 0.408 10.714 0.230 88 H6 C 8 H6 C 8 -0.008 11.080 2.552 89 H3T C 8 H3T C 8 -0.294 9.099 6.444 90 1H5* G 101 1H5* G 101 -9.413 5.609 -7.311 91 2H5* G 101 2H5* G 101 -9.251 5.958 -5.588 92 H4* G 101 H4* G 101 -9.170 8.087 -7.779 93 H3* G 101 H3* G 101 -6.905 6.636 -6.362 94 H2* G 101 H2* G 101 -5.628 8.615 -6.649 95 2HO* G 101 2HO* G 101 -6.328 10.347 -7.942 96 H1* G 101 H1* G 101 -7.820 10.331 -6.183 97 H8 G 101 H8 G 101 -6.817 7.368 -3.850 98 1H2 G 101 1H2 G 101 -6.248 14.826 -3.339 99 2H2 G 101 2H2 G 101 -6.622 14.231 -4.948 100 H5T G 101 H5T G 101 -11.244 6.626 -5.545 101 1H G 101 1H G 101 -5.932 13.279 -1.548 102 1H5* C 102 1H5* C 102 -4.945 7.453 -9.920 103 2H5* C 102 2H5* C 102 -4.047 6.045 -10.564 104 H4* C 102 H4* C 102 -2.574 7.922 -9.968 105 H3* C 102 H3* C 102 -2.274 5.408 -8.356 106 H2* C 102 H2* C 102 -0.476 6.470 -7.199 107 2HO* C 102 2HO* C 102 -0.085 7.413 -9.484 108 H1* C 102 H1* C 102 -1.623 8.924 -7.017 109 1H4 C 102 1H4 C 102 -3.300 7.007 -1.255 110 2H4 C 102 2H4 C 102 -4.548 6.013 -1.892 111 H5 C 102 H5 C 102 -4.906 5.660 -4.327 112 H6 C 102 H6 C 102 -4.097 6.232 -6.516 113 1H5* C 103 1H5* C 103 1.909 6.650 -10.006 114 2H5* C 103 2H5* C 103 2.684 5.090 -10.351 115 H4* C 103 H4* C 103 3.823 6.484 -8.555 116 H3* C 103 H3* C 103 2.776 3.737 -7.778 117 H2* C 103 H2* C 103 3.921 4.128 -5.666 118 2HO* C 103 2HO* C 103 5.691 5.252 -6.963 119 H1* C 103 H1* C 103 3.072 6.735 -5.452 120 1H4 C 103 1H4 C 103 -1.460 4.385 -1.884 121 2H4 C 103 2H4 C 103 -2.308 3.736 -3.233 122 H5 C 103 H5 C 103 -1.380 3.826 -5.562 123 H6 C 103 H6 C 103 0.510 4.504 -6.889 124 1H5* A 104 1H5* A 104 7.340 3.687 -6.623 125 2H5* A 104 2H5* A 104 7.721 1.968 -6.825 126 H4* A 104 H4* A 104 8.109 2.908 -4.494 127 H3* A 104 H3* A 104 6.226 0.568 -4.897 128 H2* A 104 H2* A 104 5.908 0.560 -2.499 129 2HO* A 104 2HO* A 104 8.359 1.113 -2.610 130 H1* A 104 H1* A 104 5.870 3.271 -2.115 131 H8 A 104 H8 A 104 3.790 2.150 -5.125 132 1H6 A 104 1H6 A 104 -0.853 1.491 -1.088 133 2H6 A 104 2H6 A 104 -0.365 1.576 -2.773 134 2H A 104 2H A 104 2.914 1.844 1.261 135 1H5* C 105 1H5* C 105 8.966 -1.210 -1.815 136 2H5* C 105 2H5* C 105 8.675 -2.941 -2.064 137 H4* C 105 H4* C 105 7.971 -1.807 0.137 138 H3* C 105 H3* C 105 6.169 -3.725 -1.341 139 H2* C 105 H2* C 105 4.638 -3.391 0.554 140 H1* C 105 H1* C 105 4.937 -0.687 0.705 141 1H4 C 105 1H4 C 105 -0.335 -1.621 -2.657 142 2H4 C 105 2H4 C 105 0.537 -1.693 -4.149 143 H5 C 105 H5 C 105 3.050 -1.435 -4.196 144 H6 C 105 H6 C 105 5.073 -1.352 -2.794 145 2H2* C 105 2H2* C 105 5.914 -2.620 1.497 146 1H5* T 106 1H5* T 106 6.053 -4.526 2.961 147 2H5* T 106 2H5* T 106 6.375 -6.240 3.264 148 H4* T 106 H4* T 106 4.294 -5.575 4.380 149 H3* T 106 H3* T 106 3.955 -7.421 1.997 150 2H2* T 106 2H2* T 106 1.912 -6.723 4.136 151 H1* T 106 H1* T 106 1.377 -4.813 3.042 152 1H5M T 106 1H5M T 106 3.422 -6.014 -2.903 153 2H5M T 106 2H5M T 106 4.355 -4.900 -1.883 154 3H5M T 106 3H5M T 106 3.112 -4.270 -2.983 155 H6 T 106 H6 T 106 3.715 -5.281 0.334 156 H2* T 106 H2* T 106 1.630 -7.476 2.532 157 3H T 106 3H T 106 -0.928 -5.565 -0.798 158 1H5* G 107 1H5* G 107 2.207 -8.346 5.729 159 2H5* G 107 2H5* G 107 2.192 -10.013 6.296 160 H4* G 107 H4* G 107 0.040 -8.733 6.583 161 H3* G 107 H3* G 107 0.295 -11.410 5.903 162 H2* G 107 H2* G 107 -0.168 -11.230 3.647 163 H1* G 107 H1* G 107 -2.190 -9.000 3.988 164 H8 G 107 H8 G 107 1.136 -9.533 2.062 165 1H2 G 107 1H2 G 107 -5.866 -8.545 -0.314 166 2H2 G 107 2H2 G 107 -5.728 -8.175 1.377 167 2H2* G 107 2H2* G 107 -1.865 -11.302 4.209 168 1H G 107 1H G 107 -4.119 -9.016 -1.596 169 1H5* C 108 1H5* C 108 -4.182 -11.005 5.614 170 2H5* C 108 2H5* C 108 -4.883 -12.180 6.719 171 H4* C 108 H4* C 108 -6.001 -12.480 4.603 172 H3* C 108 H3* C 108 -4.034 -14.632 5.361 173 H2* C 108 H2* C 108 -3.451 -15.122 3.252 174 H1* C 108 H1* C 108 -5.550 -13.302 2.085 175 1H4 C 108 1H4 C 108 -1.507 -12.449 -2.648 176 2H4 C 108 2H4 C 108 -0.237 -11.933 -1.595 177 H5 C 108 H5 C 108 -0.417 -12.198 0.876 178 H6 C 108 H6 C 108 -1.974 -12.686 2.660 179 H3T C 108 H3T C 108 -6.315 -14.432 5.935 180 2H2* C 108 2H2* C 108 -5.169 -15.450 2.848 Start of MODEL 17 1 1H5* G 1 1H5* G 1 -6.558 -13.674 -8.357 2 2H5* G 1 2H5* G 1 -7.329 -15.172 -8.895 3 H4* G 1 H4* G 1 -9.543 -13.933 -8.864 4 H3* G 1 H3* G 1 -7.794 -11.725 -7.803 5 H2* G 1 H2* G 1 -9.334 -11.310 -6.033 6 2HO* G 1 2HO* G 1 -11.001 -11.763 -7.785 7 H1* G 1 H1* G 1 -9.968 -13.808 -5.320 8 H8 G 1 H8 G 1 -6.269 -13.540 -6.262 9 1H2 G 1 1H2 G 1 -10.002 -11.442 -0.101 10 2H2 G 1 2H2 G 1 -11.023 -11.960 -1.415 11 H5T G 1 H5T G 1 -6.569 -12.998 -10.270 12 1H G 1 1H G 1 -7.627 -11.521 -0.339 13 1H5* C 2 1H5* C 2 -11.690 -9.817 -7.237 14 2H5* C 2 2H5* C 2 -11.425 -8.105 -7.603 15 H4* C 2 H4* C 2 -12.019 -8.625 -5.206 16 H3* C 2 H3* C 2 -9.438 -7.153 -5.802 17 H2* C 2 H2* C 2 -9.182 -6.983 -3.432 18 2HO* C 2 2HO* C 2 -11.702 -6.911 -3.510 19 H1* C 2 H1* C 2 -9.804 -9.523 -2.782 20 1H4 C 2 1H4 C 2 -3.434 -8.524 -3.395 21 2H4 C 2 2H4 C 2 -3.595 -8.616 -5.112 22 H5 C 2 H5 C 2 -5.698 -9.102 -6.275 23 H6 C 2 H6 C 2 -8.071 -9.371 -5.981 24 1H5* A 3 1H5* A 3 -11.599 -5.001 -2.505 25 2H5* A 3 2H5* A 3 -10.910 -3.394 -2.327 26 H4* A 3 H4* A 3 -10.712 -5.250 -0.456 27 H3* A 3 H3* A 3 -8.513 -3.293 -1.124 28 H2* A 3 H2* A 3 -7.166 -4.393 0.588 29 2HO* A 3 2HO* A 3 -9.358 -4.613 1.711 30 H1* A 3 H1* A 3 -7.719 -6.947 -0.135 31 H8 A 3 H8 A 3 -7.579 -5.352 -3.478 32 1H6 A 3 1H6 A 3 -1.427 -5.337 -2.924 33 2H6 A 3 2H6 A 3 -2.841 -5.072 -3.925 34 2H A 3 2H A 3 -3.162 -6.487 1.087 35 1H5* G 4 1H5* G 4 -8.767 -3.605 3.514 36 2H5* G 4 2H5* G 4 -8.182 -1.958 3.895 37 H4* G 4 H4* G 4 -6.838 -4.105 4.696 38 H3* G 4 H3* G 4 -5.876 -1.398 3.755 39 H2* G 4 H2* G 4 -3.612 -2.134 4.185 40 2HO* G 4 2HO* G 4 -3.173 -3.710 5.567 41 H1* G 4 H1* G 4 -3.854 -4.544 3.017 42 H8 G 4 H8 G 4 -6.014 -2.330 0.917 43 1H2 G 4 1H2 G 4 1.427 -2.445 1.536 44 2H2 G 4 2H2 G 4 0.613 -3.046 2.950 45 1H G 4 1H G 4 0.261 -2.005 -0.424 46 1H5* U 5 1H5* U 5 -3.544 -2.359 7.370 47 2H5* U 5 2H5* U 5 -3.558 -0.904 8.406 48 H4* U 5 H4* U 5 -1.244 -1.546 7.833 49 H3* U 5 H3* U 5 -2.294 1.053 6.637 50 H2* U 5 H2* U 5 -0.045 1.399 5.794 51 2HO* U 5 2HO* U 5 0.465 0.281 7.985 52 H1* U 5 H1* U 5 0.390 -1.195 5.009 53 H5 U 5 H5 U 5 -3.830 0.917 2.403 54 H6 U 5 H6 U 5 -3.075 -0.028 4.475 55 3H U 5 3H U 5 0.114 0.881 1.024 56 1H5* G 6 1H5* G 6 1.658 2.336 8.332 57 2H5* G 6 2H5* G 6 1.251 3.904 9.030 58 H4* G 6 H4* G 6 2.988 4.171 7.345 59 H3* G 6 H3* G 6 0.295 5.273 6.471 60 H2* G 6 H2* G 6 1.439 6.163 4.611 61 2HO* G 6 2HO* G 6 3.157 7.112 5.277 62 H1* G 6 H1* G 6 3.112 4.014 4.211 63 H8 G 6 H8 G 6 -0.564 3.200 4.742 64 1H2 G 6 1H2 G 6 2.934 5.598 -1.426 65 2H2 G 6 2H2 G 6 4.041 5.430 -0.087 66 1H G 6 1H G 6 0.746 5.064 -1.247 67 1H5* G 7 1H5* G 7 3.504 9.177 6.637 68 2H5* G 7 2H5* G 7 2.183 10.326 6.345 69 H4* G 7 H4* G 7 4.231 10.063 4.625 70 H3* G 7 H3* G 7 1.339 10.576 3.917 71 H2* G 7 H2* G 7 1.999 10.626 1.603 72 2HO* G 7 2HO* G 7 4.051 11.650 2.328 73 H1* G 7 H1* G 7 3.390 8.311 1.711 74 H8 G 7 H8 G 7 0.528 7.847 4.165 75 1H2 G 7 1H2 G 7 0.299 8.720 -3.273 76 2H2 G 7 2H2 G 7 1.763 9.260 -2.474 77 1H G 7 1H G 7 -1.345 7.633 -1.969 78 1H5* C 8 1H5* C 8 0.196 12.790 3.782 79 2H5* C 8 2H5* C 8 -0.205 14.009 4.996 80 H4* C 8 H4* C 8 -1.849 12.630 6.010 81 H3* C 8 H3* C 8 -0.614 10.277 4.529 82 H2* C 8 H2* C 8 -2.803 9.384 4.165 83 2HO* C 8 2HO* C 8 -3.597 9.722 6.248 84 H1* C 8 H1* C 8 -4.084 11.783 3.731 85 1H4 C 8 1H4 C 8 -3.112 10.254 -2.284 86 2H4 C 8 2H4 C 8 -1.398 10.079 -2.120 87 H5 C 8 H5 C 8 -0.250 10.650 0.060 88 H6 C 8 H6 C 8 -0.659 11.024 2.380 89 H3T C 8 H3T C 8 -1.094 9.283 6.546 90 1H5* G 101 1H5* G 101 -9.463 8.928 -7.222 91 2H5* G 101 2H5* G 101 -8.483 9.493 -5.868 92 H4* G 101 H4* G 101 -8.373 10.509 -8.729 93 H3* G 101 H3* G 101 -6.925 8.487 -7.186 94 H2* G 101 H2* G 101 -4.830 9.488 -6.904 95 2HO* G 101 2HO* G 101 -4.991 9.858 -9.265 96 H1* G 101 H1* G 101 -5.419 12.140 -6.758 97 H8 G 101 H8 G 101 -5.514 9.015 -4.860 98 1H2 G 101 1H2 G 101 -8.562 15.555 -2.855 99 2H2 G 101 2H2 G 101 -8.113 15.494 -4.547 100 H5T G 101 H5T G 101 -10.272 10.517 -5.553 101 1H G 101 1H G 101 -7.888 13.851 -1.380 102 1H5* C 102 1H5* C 102 -3.887 8.696 -10.709 103 2H5* C 102 2H5* C 102 -3.448 6.963 -10.783 104 H4* C 102 H4* C 102 -1.599 8.644 -10.119 105 H3* C 102 H3* C 102 -2.369 6.146 -8.590 106 H2* C 102 H2* C 102 -0.506 6.582 -7.182 107 2HO* C 102 2HO* C 102 0.858 7.165 -8.916 108 H1* C 102 H1* C 102 -0.925 9.280 -6.999 109 1H4 C 102 1H4 C 102 -3.477 7.082 -1.601 110 2H4 C 102 2H4 C 102 -4.608 6.083 -2.432 111 H5 C 102 H5 C 102 -4.811 6.075 -4.954 112 H6 C 102 H6 C 102 -3.773 6.840 -6.991 113 1H5* C 103 1H5* C 103 1.946 6.137 -10.248 114 2H5* C 103 2H5* C 103 2.499 4.457 -10.366 115 H4* C 103 H4* C 103 3.999 5.897 -9.021 116 H3* C 103 H3* C 103 2.703 3.559 -7.588 117 H2* C 103 H2* C 103 4.122 4.200 -5.664 118 2HO* C 103 2HO* C 103 5.642 4.838 -7.508 119 H1* C 103 H1* C 103 3.534 6.826 -5.734 120 1H4 C 103 1H4 C 103 -1.190 4.742 -1.928 121 2H4 C 103 2H4 C 103 -2.069 4.339 -3.366 122 H5 C 103 H5 C 103 -1.196 4.311 -5.584 123 H6 C 103 H6 C 103 0.640 4.856 -6.950 124 1H5* A 104 1H5* A 104 7.019 3.535 -6.586 125 2H5* A 104 2H5* A 104 7.538 1.844 -6.603 126 H4* A 104 H4* A 104 7.964 2.986 -4.420 127 H3* A 104 H3* A 104 6.085 0.608 -4.519 128 H2* A 104 H2* A 104 5.960 0.731 -2.123 129 2HO* A 104 2HO* A 104 8.330 1.271 -2.358 130 H1* A 104 H1* A 104 5.696 3.403 -1.931 131 H8 A 104 H8 A 104 3.735 2.345 -4.992 132 1H6 A 104 1H6 A 104 -1.000 1.590 -1.084 133 2H6 A 104 2H6 A 104 -0.532 1.792 -2.767 134 2H A 104 2H A 104 2.718 1.541 1.320 135 1H5* C 105 1H5* C 105 9.195 -1.065 -1.945 136 2H5* C 105 2H5* C 105 9.074 -2.820 -2.181 137 H4* C 105 H4* C 105 8.389 -1.879 0.105 138 H3* C 105 H3* C 105 6.564 -3.718 -1.448 139 H2* C 105 H2* C 105 4.967 -3.482 0.392 140 H1* C 105 H1* C 105 5.333 -0.849 0.831 141 1H4 C 105 1H4 C 105 0.049 -1.303 -2.588 142 2H4 C 105 2H4 C 105 0.919 -1.093 -4.077 143 H5 C 105 H5 C 105 3.447 -1.170 -4.135 144 H6 C 105 H6 C 105 5.435 -1.259 -2.727 145 2H2* C 105 2H2* C 105 6.231 -2.835 1.447 146 1H5* T 106 1H5* T 106 6.355 -4.870 2.801 147 2H5* T 106 2H5* T 106 6.580 -6.623 2.901 148 H4* T 106 H4* T 106 4.563 -5.870 4.123 149 H3* T 106 H3* T 106 4.326 -7.762 1.770 150 2H2* T 106 2H2* T 106 2.128 -7.232 3.773 151 H1* T 106 H1* T 106 1.629 -5.220 2.931 152 1H5M T 106 1H5M T 106 2.893 -4.035 -3.160 153 2H5M T 106 2H5M T 106 3.537 -5.673 -3.036 154 3H5M T 106 3H5M T 106 4.242 -4.380 -2.055 155 H6 T 106 H6 T 106 3.823 -5.352 0.101 156 H2* T 106 H2* T 106 1.989 -7.860 2.104 157 3H T 106 3H T 106 -0.892 -5.649 -0.800 158 1H5* G 107 1H5* G 107 2.131 -8.918 5.600 159 2H5* G 107 2H5* G 107 2.482 -10.631 5.894 160 H4* G 107 H4* G 107 0.066 -10.147 6.203 161 H3* G 107 H3* G 107 0.985 -11.986 3.982 162 H2* G 107 H2* G 107 -1.099 -12.132 3.078 163 H1* G 107 H1* G 107 -2.201 -9.664 3.942 164 H8 G 107 H8 G 107 1.009 -10.099 1.860 165 1H2 G 107 1H2 G 107 -6.085 -9.298 -0.322 166 2H2 G 107 2H2 G 107 -5.953 -9.411 1.419 167 2H2* G 107 2H2* G 107 -1.940 -11.743 4.627 168 1H G 107 1H G 107 -4.312 -9.291 -1.663 169 1H5* C 108 1H5* C 108 -2.537 -12.529 6.528 170 2H5* C 108 2H5* C 108 -2.249 -13.951 7.498 171 H4* C 108 H4* C 108 -4.643 -13.554 7.166 172 H3* C 108 H3* C 108 -3.395 -16.031 6.859 173 H2* C 108 H2* C 108 -3.289 -15.994 4.501 174 H1* C 108 H1* C 108 -6.066 -14.760 4.376 175 1H4 C 108 1H4 C 108 -4.249 -13.737 -1.675 176 2H4 C 108 2H4 C 108 -2.687 -13.208 -1.167 177 H5 C 108 H5 C 108 -2.102 -12.936 1.179 178 H6 C 108 H6 C 108 -2.784 -13.457 3.455 179 H3T C 108 H3T C 108 -5.765 -15.222 7.580 180 2H2* C 108 2H2* C 108 -4.880 -16.786 4.690 Start of MODEL 18 1 1H5* G 1 1H5* G 1 -5.665 -12.683 -11.233 2 2H5* G 1 2H5* G 1 -5.502 -10.924 -11.063 3 H4* G 1 H4* G 1 -7.858 -11.818 -10.901 4 H3* G 1 H3* G 1 -6.646 -10.078 -8.768 5 H2* G 1 H2* G 1 -8.553 -10.469 -7.319 6 2HO* G 1 2HO* G 1 -9.839 -10.422 -9.363 7 H1* G 1 H1* G 1 -8.696 -13.093 -7.539 8 H8 G 1 H8 G 1 -7.643 -11.062 -5.454 9 1H2 G 1 1H2 G 1 -3.282 -16.726 -7.453 10 2H2 G 1 2H2 G 1 -4.540 -16.386 -8.619 11 H5T G 1 H5T G 1 -5.146 -12.851 -8.965 12 1H G 1 1H G 1 -2.820 -15.250 -5.722 13 1H5* C 2 1H5* C 2 -10.640 -8.960 -7.921 14 2H5* C 2 2H5* C 2 -10.635 -7.201 -7.820 15 H4* C 2 H4* C 2 -11.246 -8.350 -5.698 16 H3* C 2 H3* C 2 -8.857 -6.501 -5.744 17 H2* C 2 H2* C 2 -8.762 -6.829 -3.365 18 2HO* C 2 2HO* C 2 -11.238 -6.987 -3.386 19 H1* C 2 H1* C 2 -9.041 -9.431 -3.311 20 1H4 C 2 1H4 C 2 -2.638 -8.939 -3.729 21 2H4 C 2 2H4 C 2 -2.832 -8.842 -5.450 22 H5 C 2 H5 C 2 -4.907 -8.560 -6.621 23 H6 C 2 H6 C 2 -7.285 -8.574 -6.393 24 1H5* A 3 1H5* A 3 -11.395 -5.554 -2.295 25 2H5* A 3 2H5* A 3 -11.105 -3.879 -1.827 26 H4* A 3 H4* A 3 -10.475 -5.832 -0.195 27 H3* A 3 H3* A 3 -8.736 -3.428 -0.890 28 H2* A 3 H2* A 3 -7.169 -4.179 0.749 29 2HO* A 3 2HO* A 3 -8.106 -4.820 2.503 30 H1* A 3 H1* A 3 -7.402 -6.866 0.193 31 H8 A 3 H8 A 3 -7.436 -5.129 -3.126 32 1H6 A 3 1H6 A 3 -1.286 -6.088 -2.896 33 2H6 A 3 2H6 A 3 -2.663 -5.970 -3.937 34 2H A 3 2H A 3 -2.876 -6.213 1.275 35 1H5* G 4 1H5* G 4 -9.298 -3.287 3.744 36 2H5* G 4 2H5* G 4 -8.790 -1.606 4.047 37 H4* G 4 H4* G 4 -7.446 -3.628 5.039 38 H3* G 4 H3* G 4 -6.362 -1.028 3.957 39 H2* G 4 H2* G 4 -4.130 -1.882 4.427 40 2HO* G 4 2HO* G 4 -5.231 -2.825 6.392 41 H1* G 4 H1* G 4 -4.488 -4.387 3.463 42 H8 G 4 H8 G 4 -6.477 -2.101 1.205 43 1H2 G 4 1H2 G 4 0.907 -2.548 1.917 44 2H2 G 4 2H2 G 4 0.001 -3.132 3.300 45 1H G 4 1H G 4 -0.206 -2.247 -0.126 46 1H5* U 5 1H5* U 5 -4.012 -1.942 7.575 47 2H5* U 5 2H5* U 5 -3.756 -0.429 8.439 48 H4* U 5 H4* U 5 -1.639 -1.584 7.667 49 H3* U 5 H3* U 5 -2.290 1.218 6.710 50 H2* U 5 H2* U 5 -0.114 1.263 5.711 51 2HO* U 5 2HO* U 5 1.460 -0.228 6.094 52 H1* U 5 H1* U 5 -0.185 -1.343 4.792 53 H5 U 5 H5 U 5 -4.027 0.843 2.015 54 H6 U 5 H6 U 5 -3.414 0.198 4.273 55 3H U 5 3H U 5 0.021 0.796 0.945 56 1H5* G 6 1H5* G 6 1.583 1.727 7.652 57 2H5* G 6 2H5* G 6 1.748 3.197 8.588 58 H4* G 6 H4* G 6 3.162 3.348 6.714 59 H3* G 6 H3* G 6 0.686 5.073 6.250 60 H2* G 6 H2* G 6 2.082 5.965 4.424 61 2HO* G 6 2HO* G 6 4.219 4.240 5.158 62 H1* G 6 H1* G 6 2.917 3.528 3.610 63 H8 G 6 H8 G 6 -0.763 3.146 4.331 64 1H2 G 6 1H2 G 6 2.936 5.353 -1.767 65 2H2 G 6 2H2 G 6 3.982 5.211 -0.368 66 1H G 6 1H G 6 0.699 4.879 -1.652 67 1H5* G 7 1H5* G 7 4.304 8.840 6.626 68 2H5* G 7 2H5* G 7 2.833 9.827 6.790 69 H4* G 7 H4* G 7 4.501 10.239 4.762 70 H3* G 7 H3* G 7 1.501 10.258 4.687 71 H2* G 7 H2* G 7 1.497 10.599 2.404 72 2HO* G 7 2HO* G 7 4.255 11.225 2.682 73 H1* G 7 H1* G 7 3.416 8.758 1.767 74 H8 G 7 H8 G 7 0.949 7.617 4.518 75 1H2 G 7 1H2 G 7 0.057 8.348 -2.859 76 2H2 G 7 2H2 G 7 1.651 8.850 -2.365 77 1H G 7 1H G 7 -1.516 7.614 -1.415 78 1H5* C 8 1H5* C 8 -0.070 13.115 5.676 79 2H5* C 8 2H5* C 8 0.046 13.437 7.397 80 H4* C 8 H4* C 8 -1.494 11.865 7.912 81 H3* C 8 H3* C 8 -0.229 10.011 5.937 82 H2* C 8 H2* C 8 -2.304 8.879 5.590 83 2HO* C 8 2HO* C 8 -3.194 8.683 7.586 84 H1* C 8 H1* C 8 -3.904 11.060 5.454 85 1H4 C 8 1H4 C 8 -2.387 10.676 -0.711 86 2H4 C 8 2H4 C 8 -0.769 11.265 -0.371 87 H5 C 8 H5 C 8 0.000 11.761 1.839 88 H6 C 8 H6 C 8 -0.446 11.615 4.169 89 H3T C 8 H3T C 8 -0.259 8.696 7.698 90 1H5* G 101 1H5* G 101 -9.666 8.543 -6.854 91 2H5* G 101 2H5* G 101 -9.016 9.106 -5.310 92 H4* G 101 H4* G 101 -8.537 10.459 -8.006 93 H3* G 101 H3* G 101 -7.143 8.159 -6.700 94 H2* G 101 H2* G 101 -5.007 9.141 -6.610 95 2HO* G 101 2HO* G 101 -5.816 10.081 -8.791 96 H1* G 101 H1* G 101 -5.683 11.625 -5.746 97 H8 G 101 H8 G 101 -4.617 8.809 -4.570 98 1H2 G 101 1H2 G 101 -11.039 11.077 -1.857 99 2H2 G 101 2H2 G 101 -10.573 12.072 -3.218 100 H5T G 101 H5T G 101 -11.155 9.848 -5.775 101 1H G 101 1H G 101 -9.396 10.051 -0.504 102 1H5* C 102 1H5* C 102 -4.492 8.800 -10.203 103 2H5* C 102 2H5* C 102 -3.922 7.208 -10.718 104 H4* C 102 H4* C 102 -2.208 8.944 -9.881 105 H3* C 102 H3* C 102 -2.227 6.107 -8.859 106 H2* C 102 H2* C 102 -0.245 6.692 -7.625 107 2HO* C 102 2HO* C 102 0.075 8.202 -9.688 108 H1* C 102 H1* C 102 -1.100 9.170 -6.886 109 1H4 C 102 1H4 C 102 -2.847 6.007 -1.580 110 2H4 C 102 2H4 C 102 -4.248 5.447 -2.428 111 H5 C 102 H5 C 102 -4.652 5.756 -4.824 112 H6 C 102 H6 C 102 -3.771 6.647 -6.857 113 1H5* C 103 1H5* C 103 2.223 6.688 -10.326 114 2H5* C 103 2H5* C 103 2.677 5.027 -10.738 115 H4* C 103 H4* C 103 4.027 6.053 -8.894 116 H3* C 103 H3* C 103 2.508 3.549 -8.193 117 H2* C 103 H2* C 103 3.566 3.749 -6.017 118 2HO* C 103 2HO* C 103 5.495 4.539 -7.279 119 H1* C 103 H1* C 103 3.241 6.462 -5.790 120 1H4 C 103 1H4 C 103 -1.440 3.764 -2.411 121 2H4 C 103 2H4 C 103 -2.300 3.274 -3.840 122 H5 C 103 H5 C 103 -1.470 3.812 -6.129 123 H6 C 103 H6 C 103 0.389 4.701 -7.382 124 1H5* A 104 1H5* A 104 6.964 3.153 -6.947 125 2H5* A 104 2H5* A 104 7.255 1.400 -6.970 126 H4* A 104 H4* A 104 7.762 2.559 -4.797 127 H3* A 104 H3* A 104 5.776 0.268 -4.795 128 H2* A 104 H2* A 104 5.923 0.470 -2.345 129 2HO* A 104 2HO* A 104 7.411 1.931 -1.424 130 H1* A 104 H1* A 104 5.564 3.128 -2.307 131 H8 A 104 H8 A 104 3.589 1.834 -5.299 132 1H6 A 104 1H6 A 104 -1.023 1.153 -1.217 133 2H6 A 104 2H6 A 104 -0.619 1.184 -2.899 134 2H A 104 2H A 104 2.717 1.590 1.083 135 1H5* C 105 1H5* C 105 8.447 -0.601 -1.714 136 2H5* C 105 2H5* C 105 8.837 -2.334 -1.686 137 H4* C 105 H4* C 105 7.906 -1.504 0.462 138 H3* C 105 H3* C 105 6.340 -3.590 -1.069 139 H2* C 105 H2* C 105 4.769 -3.576 0.767 140 H1* C 105 H1* C 105 4.704 -0.910 1.177 141 1H4 C 105 1H4 C 105 -0.365 -1.872 -2.392 142 2H4 C 105 2H4 C 105 0.586 -2.022 -3.855 143 H5 C 105 H5 C 105 3.067 -1.791 -3.843 144 H6 C 105 H6 C 105 4.989 -1.565 -2.389 145 2H2* C 105 2H2* C 105 5.916 -2.732 1.829 146 1H5* T 106 1H5* T 106 6.457 -4.737 2.951 147 2H5* T 106 2H5* T 106 6.695 -6.469 3.199 148 H4* T 106 H4* T 106 4.664 -5.608 4.300 149 H3* T 106 H3* T 106 4.250 -7.613 2.058 150 2H2* T 106 2H2* T 106 2.254 -6.710 4.181 151 H1* T 106 H1* T 106 1.751 -4.854 2.983 152 1H5M T 106 1H5M T 106 3.786 -6.507 -2.789 153 2H5M T 106 2H5M T 106 4.587 -5.147 -1.966 154 3H5M T 106 3H5M T 106 3.313 -4.833 -3.158 155 H6 T 106 H6 T 106 4.018 -5.538 0.277 156 H2* T 106 H2* T 106 1.917 -7.559 2.642 157 3H T 106 3H T 106 -0.676 -5.837 -0.727 158 1H5* G 107 1H5* G 107 2.233 -8.343 5.612 159 2H5* G 107 2H5* G 107 2.249 -10.000 6.173 160 H4* G 107 H4* G 107 0.019 -8.841 6.276 161 H3* G 107 H3* G 107 0.464 -11.503 5.682 162 H2* G 107 H2* G 107 0.437 -11.220 3.340 163 H1* G 107 H1* G 107 -1.977 -9.448 3.708 164 H8 G 107 H8 G 107 1.400 -9.474 1.836 165 1H2 G 107 1H2 G 107 -5.663 -9.252 -0.690 166 2H2 G 107 2H2 G 107 -5.513 -9.088 1.043 167 2H2* G 107 2H2* G 107 -1.299 -11.580 3.627 168 1H G 107 1H G 107 -3.770 -9.266 -1.984 169 1H5* C 108 1H5* C 108 -1.213 -13.209 4.873 170 2H5* C 108 2H5* C 108 -2.861 -13.286 5.503 171 H4* C 108 H4* C 108 -2.117 -15.663 6.365 172 H3* C 108 H3* C 108 0.211 -14.793 4.823 173 H2* C 108 H2* C 108 -0.102 -15.739 2.802 174 H1* C 108 H1* C 108 -2.680 -16.981 3.086 175 1H4 C 108 1H4 C 108 -2.447 -13.672 -2.385 176 2H4 C 108 2H4 C 108 -1.929 -12.242 -1.565 177 H5 C 108 H5 C 108 -1.797 -12.080 0.916 178 H6 C 108 H6 C 108 -2.009 -13.320 2.950 179 H3T C 108 H3T C 108 1.079 -16.582 5.667 180 2H2* C 108 2H2* C 108 -0.513 -17.309 3.535 Start of MODEL 19 1 1H5* G 1 1H5* G 1 -6.086 -14.839 -9.897 2 2H5* G 1 2H5* G 1 -6.121 -13.129 -10.326 3 H4* G 1 H4* G 1 -7.896 -14.112 -8.658 4 H3* G 1 H3* G 1 -6.461 -11.496 -8.285 5 H2* G 1 H2* G 1 -7.540 -11.223 -6.211 6 2HO* G 1 2HO* G 1 -9.524 -11.645 -6.220 7 H1* G 1 H1* G 1 -7.530 -13.821 -5.400 8 H8 G 1 H8 G 1 -4.152 -12.491 -6.710 9 1H2 G 1 1H2 G 1 -7.362 -12.441 0.076 10 2H2 G 1 2H2 G 1 -8.509 -12.822 -1.175 11 H5T G 1 H5T G 1 -4.376 -12.752 -9.010 12 1H G 1 1H G 1 -5.184 -12.017 -0.373 13 1H5* C 2 1H5* C 2 -11.046 -10.432 -7.475 14 2H5* C 2 2H5* C 2 -11.000 -8.670 -7.726 15 H4* C 2 H4* C 2 -11.540 -9.493 -5.368 16 H3* C 2 H3* C 2 -9.313 -7.506 -5.769 17 H2* C 2 H2* C 2 -9.088 -7.532 -3.376 18 2HO* C 2 2HO* C 2 -11.530 -7.886 -3.383 19 H1* C 2 H1* C 2 -9.086 -10.170 -3.038 20 1H4 C 2 1H4 C 2 -2.947 -8.491 -3.532 21 2H4 C 2 2H4 C 2 -3.120 -8.310 -5.249 22 H5 C 2 H5 C 2 -5.240 -8.500 -6.443 23 H6 C 2 H6 C 2 -7.553 -9.023 -6.216 24 1H5* A 3 1H5* A 3 -11.537 -6.149 -2.317 25 2H5* A 3 2H5* A 3 -11.226 -4.441 -2.062 26 H4* A 3 H4* A 3 -10.517 -6.283 -0.325 27 H3* A 3 H3* A 3 -8.884 -3.856 -1.060 28 H2* A 3 H2* A 3 -7.258 -4.531 0.573 29 2HO* A 3 2HO* A 3 -7.943 -5.443 2.305 30 H1* A 3 H1* A 3 -7.287 -7.181 -0.047 31 H8 A 3 H8 A 3 -7.552 -5.581 -3.398 32 1H6 A 3 1H6 A 3 -1.358 -4.858 -2.989 33 2H6 A 3 2H6 A 3 -2.759 -4.749 -4.027 34 2H A 3 2H A 3 -2.957 -5.888 1.084 35 1H5* G 4 1H5* G 4 -9.130 -3.820 3.550 36 2H5* G 4 2H5* G 4 -8.713 -2.143 3.944 37 H4* G 4 H4* G 4 -7.218 -4.201 4.732 38 H3* G 4 H3* G 4 -6.291 -1.445 3.913 39 H2* G 4 H2* G 4 -4.009 -2.185 4.230 40 2HO* G 4 2HO* G 4 -5.055 -3.586 6.097 41 H1* G 4 H1* G 4 -4.242 -4.571 3.011 42 H8 G 4 H8 G 4 -6.478 -2.358 1.008 43 1H2 G 4 1H2 G 4 0.952 -2.391 1.508 44 2H2 G 4 2H2 G 4 0.123 -3.048 2.917 45 1H G 4 1H G 4 -0.210 -1.901 -0.428 46 1H5* U 5 1H5* U 5 -3.610 -2.436 7.349 47 2H5* U 5 2H5* U 5 -3.563 -0.957 8.309 48 H4* U 5 H4* U 5 -1.348 -1.675 7.645 49 H3* U 5 H3* U 5 -2.244 0.997 6.541 50 H2* U 5 H2* U 5 0.078 1.171 5.702 51 2HO* U 5 2HO* U 5 0.438 -0.138 7.828 52 H1* U 5 H1* U 5 0.240 -1.296 4.742 53 H5 U 5 H5 U 5 -3.968 0.965 2.371 54 H6 U 5 H6 U 5 -3.203 -0.084 4.384 55 3H U 5 3H U 5 -0.021 1.033 0.947 56 1H5* G 6 1H5* G 6 1.815 1.666 7.639 57 2H5* G 6 2H5* G 6 1.835 3.161 8.551 58 H4* G 6 H4* G 6 3.354 3.433 6.722 59 H3* G 6 H3* G 6 0.697 4.878 6.282 60 H2* G 6 H2* G 6 1.929 6.006 4.528 61 2HO* G 6 2HO* G 6 3.793 5.969 6.080 62 H1* G 6 H1* G 6 3.189 3.761 3.639 63 H8 G 6 H8 G 6 -0.503 3.203 4.460 64 1H2 G 6 1H2 G 6 2.865 5.417 -1.868 65 2H2 G 6 2H2 G 6 3.970 5.306 -0.524 66 1H G 6 1H G 6 0.655 4.970 -1.601 67 1H5* G 7 1H5* G 7 3.913 8.236 6.881 68 2H5* G 7 2H5* G 7 2.807 9.612 6.883 69 H4* G 7 H4* G 7 4.608 9.415 5.055 70 H3* G 7 H3* G 7 1.716 10.152 4.478 71 H2* G 7 H2* G 7 2.338 10.570 2.319 72 2HO* G 7 2HO* G 7 4.434 11.417 3.446 73 H1* G 7 H1* G 7 3.900 8.324 1.959 74 H8 G 7 H8 G 7 0.986 7.784 4.235 75 1H2 G 7 1H2 G 7 0.978 8.487 -3.206 76 2H2 G 7 2H2 G 7 2.585 8.532 -2.525 77 1H G 7 1H G 7 -0.790 7.906 -1.934 78 1H5* C 8 1H5* C 8 3.466 15.230 3.289 79 2H5* C 8 2H5* C 8 1.807 15.239 3.783 80 H4* C 8 H4* C 8 1.908 16.158 1.574 81 H3* C 8 H3* C 8 0.788 13.326 1.607 82 H2* C 8 H2* C 8 0.416 13.520 -0.713 83 2HO* C 8 2HO* C 8 -0.490 15.380 -1.097 84 H1* C 8 H1* C 8 2.749 15.018 -1.249 85 1H4 C 8 1H4 C 8 4.622 9.347 -3.076 86 2H4 C 8 2H4 C 8 4.383 8.592 -1.488 87 H5 C 8 H5 C 8 3.505 9.970 0.454 88 H6 C 8 H6 C 8 2.623 12.083 1.061 89 H3T C 8 H3T C 8 -0.466 14.800 2.681 90 1H5* G 101 1H5* G 101 -8.602 9.178 -4.497 91 2H5* G 101 2H5* G 101 -9.471 10.706 -4.746 92 H4* G 101 H4* G 101 -8.074 11.057 -6.844 93 H3* G 101 H3* G 101 -7.031 8.419 -6.027 94 H2* G 101 H2* G 101 -4.722 9.043 -5.826 95 2HO* G 101 2HO* G 101 -5.282 10.308 -7.829 96 H1* G 101 H1* G 101 -4.989 11.385 -4.557 97 H8 G 101 H8 G 101 -6.081 7.752 -4.271 98 1H2 G 101 1H2 G 101 -5.562 13.049 0.968 99 2H2 G 101 2H2 G 101 -5.406 13.692 -0.649 100 H5T G 101 H5T G 101 -10.285 8.529 -5.640 101 1H G 101 1H G 101 -5.914 10.823 1.358 102 1H5* C 102 1H5* C 102 -4.249 9.443 -9.981 103 2H5* C 102 2H5* C 102 -3.883 7.756 -10.395 104 H4* C 102 H4* C 102 -1.903 9.311 -9.964 105 H3* C 102 H3* C 102 -2.222 6.663 -8.569 106 H2* C 102 H2* C 102 -0.092 7.086 -7.502 107 2HO* C 102 2HO* C 102 0.458 8.019 -9.644 108 H1* C 102 H1* C 102 -0.592 9.647 -6.853 109 1H4 C 102 1H4 C 102 -2.840 7.067 -1.477 110 2H4 C 102 2H4 C 102 -4.040 6.175 -2.330 111 H5 C 102 H5 C 102 -4.186 6.102 -4.826 112 H6 C 102 H6 C 102 -3.306 7.003 -6.845 113 1H5* C 103 1H5* C 103 2.086 6.752 -10.432 114 2H5* C 103 2H5* C 103 2.465 5.052 -10.725 115 H4* C 103 H4* C 103 4.024 6.232 -9.110 116 H3* C 103 H3* C 103 2.541 3.818 -8.055 117 H2* C 103 H2* C 103 3.931 4.115 -6.048 118 2HO* C 103 2HO* C 103 5.749 4.823 -7.483 119 H1* C 103 H1* C 103 3.482 6.786 -5.851 120 1H4 C 103 1H4 C 103 -1.247 4.435 -2.278 121 2H4 C 103 2H4 C 103 -2.181 4.200 -3.724 122 H5 C 103 H5 C 103 -1.358 4.491 -5.960 123 H6 C 103 H6 C 103 0.524 5.112 -7.290 124 1H5* A 104 1H5* A 104 6.842 3.208 -7.047 125 2H5* A 104 2H5* A 104 7.171 1.475 -7.071 126 H4* A 104 H4* A 104 7.715 2.716 -4.943 127 H3* A 104 H3* A 104 5.933 0.289 -4.879 128 H2* A 104 H2* A 104 5.791 0.553 -2.487 129 2HO* A 104 2HO* A 104 8.156 1.198 -2.713 130 H1* A 104 H1* A 104 5.477 3.249 -2.435 131 H8 A 104 H8 A 104 3.434 2.144 -5.376 132 1H6 A 104 1H6 A 104 -1.123 1.345 -1.225 133 2H6 A 104 2H6 A 104 -0.682 1.426 -2.922 134 2H A 104 2H A 104 2.745 1.619 0.998 135 1H5* C 105 1H5* C 105 8.775 -0.753 -1.683 136 2H5* C 105 2H5* C 105 8.834 -2.523 -1.794 137 H4* C 105 H4* C 105 7.922 -1.574 0.346 138 H3* C 105 H3* C 105 6.305 -3.551 -1.282 139 H2* C 105 H2* C 105 4.740 -3.500 0.566 140 H1* C 105 H1* C 105 4.788 -0.793 0.914 141 1H4 C 105 1H4 C 105 -0.326 -1.833 -2.670 142 2H4 C 105 2H4 C 105 0.635 -1.944 -4.123 143 H5 C 105 H5 C 105 3.120 -1.645 -4.095 144 H6 C 105 H6 C 105 5.070 -1.464 -2.637 145 2H2* C 105 2H2* C 105 5.919 -2.667 1.608 146 1H5* T 106 1H5* T 106 6.256 -4.511 2.834 147 2H5* T 106 2H5* T 106 6.534 -6.208 3.208 148 H4* T 106 H4* T 106 4.510 -5.299 4.253 149 H3* T 106 H3* T 106 4.164 -7.556 2.279 150 2H2* T 106 2H2* T 106 1.945 -6.523 4.077 151 H1* T 106 H1* T 106 1.572 -4.696 2.881 152 1H5M T 106 1H5M T 106 3.077 -4.818 -3.321 153 2H5M T 106 2H5M T 106 3.809 -6.315 -2.705 154 3H5M T 106 3H5M T 106 4.349 -4.733 -2.094 155 H6 T 106 H6 T 106 3.870 -5.434 0.213 156 H2* T 106 H2* T 106 1.808 -7.427 2.543 157 3H T 106 3H T 106 -0.817 -5.566 -0.818 158 1H5* G 107 1H5* G 107 1.684 -7.819 5.912 159 2H5* G 107 2H5* G 107 1.752 -9.416 6.667 160 H4* G 107 H4* G 107 -0.537 -8.388 6.497 161 H3* G 107 H3* G 107 0.117 -11.083 6.158 162 H2* G 107 H2* G 107 0.104 -11.033 3.814 163 H1* G 107 H1* G 107 -2.338 -9.202 3.905 164 H8 G 107 H8 G 107 1.071 -9.487 2.112 165 1H2 G 107 1H2 G 107 -5.975 -9.053 -0.389 166 2H2 G 107 2H2 G 107 -5.875 -9.070 1.343 167 2H2* G 107 2H2* G 107 -1.603 -11.461 4.104 168 1H G 107 1H G 107 -4.088 -8.774 -1.688 169 1H5* C 108 1H5* C 108 -4.458 -11.305 4.699 170 2H5* C 108 2H5* C 108 -5.079 -11.771 6.269 171 H4* C 108 H4* C 108 -6.358 -13.018 4.801 172 H3* C 108 H3* C 108 -4.770 -14.420 6.571 173 H2* C 108 H2* C 108 -3.051 -14.968 5.078 174 H1* C 108 H1* C 108 -5.136 -15.549 2.963 175 1H4 C 108 1H4 C 108 -0.584 -15.606 -1.280 176 2H4 C 108 2H4 C 108 -0.169 -13.953 -0.892 177 H5 C 108 H5 C 108 -0.834 -12.877 1.273 178 H6 C 108 H6 C 108 -2.535 -13.029 3.051 179 H3T C 108 H3T C 108 -6.560 -15.548 4.646 180 2H2* C 108 2H2* C 108 -4.091 -16.410 4.883 Start of MODEL 20 1 1H5* G 1 1H5* G 1 -5.080 -13.875 -8.808 2 2H5* G 1 2H5* G 1 -5.596 -15.476 -9.312 3 H4* G 1 H4* G 1 -7.838 -15.146 -8.433 4 H3* G 1 H3* G 1 -6.965 -12.277 -8.048 5 H2* G 1 H2* G 1 -8.141 -12.199 -5.954 6 2HO* G 1 2HO* G 1 -9.740 -13.636 -7.237 7 H1* G 1 H1* G 1 -7.418 -14.583 -4.960 8 H8 G 1 H8 G 1 -4.649 -12.888 -7.056 9 1H2 G 1 1H2 G 1 -6.352 -12.373 0.205 10 2H2 G 1 2H2 G 1 -7.690 -12.839 -0.802 11 H5T G 1 H5T G 1 -6.186 -12.956 -10.412 12 1H G 1 1H G 1 -4.208 -12.126 -0.709 13 1H5* C 2 1H5* C 2 -11.402 -10.949 -7.031 14 2H5* C 2 2H5* C 2 -11.004 -9.311 -7.503 15 H4* C 2 H4* C 2 -11.461 -10.002 -5.007 16 H3* C 2 H3* C 2 -9.286 -8.033 -5.746 17 H2* C 2 H2* C 2 -8.919 -7.876 -3.374 18 2HO* C 2 2HO* C 2 -11.376 -8.192 -3.223 19 H1* C 2 H1* C 2 -9.004 -10.509 -2.784 20 1H4 C 2 1H4 C 2 -2.853 -8.924 -3.537 21 2H4 C 2 2H4 C 2 -2.996 -9.189 -5.247 22 H5 C 2 H5 C 2 -5.160 -9.417 -6.380 23 H6 C 2 H6 C 2 -7.515 -9.853 -6.062 24 1H5* A 3 1H5* A 3 -11.552 -6.435 -2.319 25 2H5* A 3 2H5* A 3 -11.224 -4.719 -2.142 26 H4* A 3 H4* A 3 -10.528 -6.499 -0.323 27 H3* A 3 H3* A 3 -8.963 -4.047 -1.116 28 H2* A 3 H2* A 3 -7.281 -4.670 0.472 29 2HO* A 3 2HO* A 3 -8.004 -5.392 2.270 30 H1* A 3 H1* A 3 -7.310 -7.378 0.010 31 H8 A 3 H8 A 3 -7.534 -5.918 -3.385 32 1H6 A 3 1H6 A 3 -1.333 -5.389 -3.018 33 2H6 A 3 2H6 A 3 -2.731 -5.242 -4.056 34 2H A 3 2H A 3 -2.940 -6.203 1.110 35 1H5* G 4 1H5* G 4 -9.099 -3.954 3.566 36 2H5* G 4 2H5* G 4 -8.848 -2.218 3.812 37 H4* G 4 H4* G 4 -7.154 -4.058 4.674 38 H3* G 4 H3* G 4 -6.536 -1.280 3.658 39 H2* G 4 H2* G 4 -4.169 -1.782 3.973 40 2HO* G 4 2HO* G 4 -5.072 -3.047 5.937 41 H1* G 4 H1* G 4 -4.180 -4.243 2.924 42 H8 G 4 H8 G 4 -6.669 -2.370 0.829 43 1H2 G 4 1H2 G 4 0.824 -2.115 1.154 44 2H2 G 4 2H2 G 4 -0.021 -2.782 2.549 45 1H G 4 1H G 4 -0.434 -1.616 -0.745 46 1H5* U 5 1H5* U 5 -4.031 -1.956 7.386 47 2H5* U 5 2H5* U 5 -3.939 -0.388 8.195 48 H4* U 5 H4* U 5 -1.740 -1.347 7.600 49 H3* U 5 H3* U 5 -2.434 1.309 6.285 50 H2* U 5 H2* U 5 -0.050 1.287 5.636 51 2HO* U 5 2HO* U 5 0.079 0.088 7.856 52 H1* U 5 H1* U 5 -0.085 -1.254 4.748 53 H5 U 5 H5 U 5 -4.013 1.427 2.293 54 H6 U 5 H6 U 5 -3.383 0.291 4.309 55 3H U 5 3H U 5 -0.047 1.122 0.944 56 1H5* G 6 1H5* G 6 1.545 1.799 7.830 57 2H5* G 6 2H5* G 6 1.503 3.336 8.706 58 H4* G 6 H4* G 6 3.242 3.514 7.080 59 H3* G 6 H3* G 6 0.732 5.054 6.328 60 H2* G 6 H2* G 6 2.171 6.085 4.682 61 2HO* G 6 2HO* G 6 3.881 5.854 6.455 62 H1* G 6 H1* G 6 3.361 3.813 3.873 63 H8 G 6 H8 G 6 -0.403 3.287 4.509 64 1H2 G 6 1H2 G 6 3.179 5.428 -1.715 65 2H2 G 6 2H2 G 6 4.274 5.387 -0.353 66 1H G 6 1H G 6 0.971 4.974 -1.490 67 1H5* G 7 1H5* G 7 4.089 8.154 7.045 68 2H5* G 7 2H5* G 7 3.057 9.603 7.038 69 H4* G 7 H4* G 7 4.845 9.329 5.199 70 H3* G 7 H3* G 7 1.949 10.110 4.721 71 H2* G 7 H2* G 7 2.557 10.611 2.563 72 2HO* G 7 2HO* G 7 4.670 11.369 3.681 73 H1* G 7 H1* G 7 4.044 8.343 2.090 74 H8 G 7 H8 G 7 1.149 7.842 4.409 75 1H2 G 7 1H2 G 7 1.160 8.530 -3.016 76 2H2 G 7 2H2 G 7 2.735 8.721 -2.298 77 1H G 7 1H G 7 -0.658 7.906 -1.756 78 1H5* C 8 1H5* C 8 2.674 15.214 3.932 79 2H5* C 8 2H5* C 8 0.996 14.665 3.965 80 H4* C 8 H4* C 8 1.616 15.997 1.992 81 H3* C 8 H3* C 8 0.824 13.132 1.311 82 H2* C 8 H2* C 8 0.882 13.943 -0.990 83 2HO* C 8 2HO* C 8 1.126 16.161 -1.407 84 H1* C 8 H1* C 8 3.268 15.298 -0.661 85 1H4 C 8 1H4 C 8 4.824 9.594 -2.878 86 2H4 C 8 2H4 C 8 4.481 8.794 -1.329 87 H5 C 8 H5 C 8 3.624 10.093 0.643 88 H6 C 8 H6 C 8 2.867 12.200 1.363 89 H3T C 8 H3T C 8 -1.024 14.023 1.950 90 1H5* G 101 1H5* G 101 -8.490 11.269 -7.374 91 2H5* G 101 2H5* G 101 -8.211 10.580 -5.786 92 H4* G 101 H4* G 101 -6.698 12.926 -7.039 93 H3* G 101 H3* G 101 -6.136 9.993 -6.616 94 H2* G 101 H2* G 101 -3.861 10.439 -6.128 95 2HO* G 101 2HO* G 101 -3.532 12.058 -7.705 96 H1* G 101 H1* G 101 -4.300 12.474 -4.427 97 H8 G 101 H8 G 101 -7.015 9.671 -4.478 98 1H2 G 101 1H2 G 101 -1.150 11.014 -0.042 99 2H2 G 101 2H2 G 101 -0.942 11.629 -1.683 100 H5T G 101 H5T G 101 -9.952 11.951 -5.772 101 1H G 101 1H G 101 -2.933 9.633 0.462 102 1H5* C 102 1H5* C 102 -3.100 10.451 -10.158 103 2H5* C 102 2H5* C 102 -3.067 8.718 -10.562 104 H4* C 102 H4* C 102 -0.967 9.804 -9.596 105 H3* C 102 H3* C 102 -2.184 7.308 -8.372 106 H2* C 102 H2* C 102 -0.065 7.245 -7.112 107 2HO* C 102 2HO* C 102 0.888 8.070 -9.150 108 H1* C 102 H1* C 102 -0.170 9.877 -6.448 109 1H4 C 102 1H4 C 102 -2.903 6.904 -1.528 110 2H4 C 102 2H4 C 102 -4.303 6.439 -2.452 111 H5 C 102 H5 C 102 -4.519 6.994 -4.889 112 H6 C 102 H6 C 102 -3.426 8.060 -6.765 113 1H5* C 103 1H5* C 103 1.907 6.774 -10.260 114 2H5* C 103 2H5* C 103 2.309 5.082 -10.615 115 H4* C 103 H4* C 103 3.891 6.300 -9.012 116 H3* C 103 H3* C 103 2.625 3.701 -8.158 117 H2* C 103 H2* C 103 3.857 3.972 -6.052 118 2HO* C 103 2HO* C 103 5.578 4.853 -7.513 119 H1* C 103 H1* C 103 3.375 6.631 -5.692 120 1H4 C 103 1H4 C 103 -1.280 4.224 -2.172 121 2H4 C 103 2H4 C 103 -2.289 3.929 -3.547 122 H5 C 103 H5 C 103 -1.484 4.396 -5.871 123 H6 C 103 H6 C 103 0.348 5.135 -7.167 124 1H5* A 104 1H5* A 104 7.000 3.360 -6.991 125 2H5* A 104 2H5* A 104 7.371 1.643 -7.200 126 H4* A 104 H4* A 104 7.697 2.492 -4.887 127 H3* A 104 H3* A 104 5.590 0.338 -5.244 128 H2* A 104 H2* A 104 5.489 0.324 -2.819 129 2HO* A 104 2HO* A 104 7.785 0.444 -2.723 130 H1* A 104 H1* A 104 5.587 3.034 -2.512 131 H8 A 104 H8 A 104 3.306 2.109 -5.393 132 1H6 A 104 1H6 A 104 -1.031 1.422 -1.026 133 2H6 A 104 2H6 A 104 -0.671 1.391 -2.748 134 2H A 104 2H A 104 2.858 1.684 1.049 135 1H5* C 105 1H5* C 105 8.752 -1.236 -2.306 136 2H5* C 105 2H5* C 105 8.622 -3.007 -2.306 137 H4* C 105 H4* C 105 8.058 -1.752 -0.114 138 H3* C 105 H3* C 105 6.286 -3.887 -1.292 139 H2* C 105 H2* C 105 4.702 -3.450 0.491 140 H1* C 105 H1* C 105 4.862 -0.736 0.532 141 1H4 C 105 1H4 C 105 -0.452 -1.996 -2.734 142 2H4 C 105 2H4 C 105 0.443 -2.210 -4.200 143 H5 C 105 H5 C 105 2.942 -1.907 -4.298 144 H6 C 105 H6 C 105 4.925 -1.641 -2.947 145 2H2* C 105 2H2* C 105 5.904 -2.539 1.423 146 1H5* T 106 1H5* T 106 6.156 -4.200 2.951 147 2H5* T 106 2H5* T 106 6.427 -5.865 3.507 148 H4* T 106 H4* T 106 4.299 -4.978 4.363 149 H3* T 106 H3* T 106 4.049 -7.109 2.235 150 2H2* T 106 2H2* T 106 1.896 -6.248 4.171 151 H1* T 106 H1* T 106 1.498 -4.426 2.858 152 1H5M T 106 1H5M T 106 3.275 -6.188 -3.132 153 2H5M T 106 2H5M T 106 4.511 -5.726 -1.948 154 3H5M T 106 3H5M T 106 3.612 -4.480 -2.842 155 H6 T 106 H6 T 106 3.854 -5.401 0.283 156 H2* T 106 H2* T 106 1.729 -7.181 2.674 157 3H T 106 3H T 106 -0.812 -5.537 -0.833 158 1H5* G 107 1H5* G 107 1.965 -7.753 5.721 159 2H5* G 107 2H5* G 107 2.279 -9.342 6.419 160 H4* G 107 H4* G 107 -0.079 -8.597 6.610 161 H3* G 107 H3* G 107 0.882 -11.094 5.922 162 H2* G 107 H2* G 107 0.470 -11.039 3.652 163 H1* G 107 H1* G 107 -2.066 -9.436 3.973 164 H8 G 107 H8 G 107 1.299 -9.371 2.081 165 1H2 G 107 1H2 G 107 -5.844 -9.382 -0.229 166 2H2 G 107 2H2 G 107 -5.694 -9.318 1.510 167 2H2* G 107 2H2* G 107 -1.164 -11.542 4.140 168 1H G 107 1H G 107 -3.991 -9.141 -1.567 169 1H5* C 108 1H5* C 108 -3.433 -11.192 5.698 170 2H5* C 108 2H5* C 108 -4.001 -11.957 7.179 171 H4* C 108 H4* C 108 -5.617 -12.187 5.401 172 H3* C 108 H3* C 108 -4.786 -14.343 6.935 173 H2* C 108 H2* C 108 -3.283 -15.254 5.368 174 H1* C 108 H1* C 108 -5.248 -14.621 3.151 175 1H4 C 108 1H4 C 108 -0.499 -15.657 -0.876 176 2H4 C 108 2H4 C 108 0.356 -14.290 -0.216 177 H5 C 108 H5 C 108 -0.132 -13.403 2.096 178 H6 C 108 H6 C 108 -1.906 -13.355 3.808 179 H3T C 108 H3T C 108 -6.996 -13.686 5.863 180 2H2* C 108 2H2* C 108 -4.789 -16.113 4.882
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