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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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12575 |
1t4x ![]() ![]() |
cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5* C 1 20.017 -1.904 7.165 2 2H5* C 1 2H5* C 1 20.147 -3.258 8.300 3 H4* C 1 H4* C 1 18.059 -3.484 7.305 4 H3* C 1 H3* C 1 19.576 -5.630 7.156 5 H2* C 1 1H2* C 1 20.761 -5.184 5.114 6 2HO* C 1 2HO* C 1 18.427 -6.651 4.723 7 H1* C 1 H1* C 1 18.286 -4.176 3.665 8 1H4 C 1 1H4 C 1 23.575 -0.788 1.612 9 2H4 C 1 2H4 C 1 23.130 -1.843 0.287 10 H5 C 1 H5 C 1 22.470 -0.858 3.768 11 H6 C 1 H6 C 1 20.720 -1.945 5.075 12 H5T C 1 H5T C 1 22.024 -3.348 7.236 13 1H5* G 2 1H5* G 2 14.654 -4.077 6.767 14 2H5* G 2 2H5* G 2 16.203 -3.859 5.940 15 H4* G 2 H4* G 2 15.154 -2.060 8.123 16 H3* G 2 H3* G 2 14.875 -1.780 5.127 17 H2* G 2 1H2* G 2 15.352 0.528 5.342 18 2HO* G 2 2HO* G 2 13.799 0.272 7.419 19 H1* G 2 H1* G 2 16.920 0.211 7.796 20 H8 G 2 H8 G 2 18.880 1.624 7.177 21 H1 G 2 H1 G 2 19.080 -0.776 1.234 22 1H2 G 2 1H2 G 2 16.332 -2.628 2.232 23 2H2 G 2 2H2 G 2 17.462 -2.241 0.952 24 1H5* C 3 1H5* C 3 10.714 -1.199 3.546 25 2H5* C 3 2H5* C 3 11.098 -2.869 3.095 26 H4* C 3 H4* C 3 11.067 -1.263 1.210 27 H3* C 3 H3* C 3 12.885 -3.352 1.567 28 H2* C 3 1H2* C 3 14.799 -1.984 1.975 29 2HO* C 3 2HO* C 3 14.360 -2.481 -0.666 30 H1* C 3 H1* C 3 13.499 0.146 0.158 31 1H4 C 3 1H4 C 3 18.009 3.314 3.809 32 2H4 C 3 2H4 C 3 18.585 3.364 2.157 33 H5 C 3 H5 C 3 16.015 2.083 4.452 34 H6 C 3 H6 C 3 14.247 0.595 3.661 35 1H5* G 4 1H5* G 4 9.038 -1.641 -1.805 36 2H5* G 4 2H5* G 4 10.560 -0.901 -1.276 37 H4* G 4 H4* G 4 7.859 -0.698 0.035 38 H3* G 4 H3* G 4 9.579 1.269 -1.457 39 H2* G 4 1H2* G 4 8.935 2.967 0.046 40 2HO* G 4 2HO* G 4 6.628 1.630 -0.073 41 H1* G 4 H1* G 4 8.529 1.197 2.313 42 H8 G 4 H8 G 4 9.891 2.494 3.978 43 H1 G 4 H1 G 4 14.561 3.534 -0.290 44 1H2 G 4 1H2 G 4 12.543 1.798 -2.478 45 2H2 G 4 2H2 G 4 14.048 2.654 -2.216 46 1H5* C 5 1H5* C 5 7.157 3.625 -4.538 47 2H5* C 5 2H5* C 5 7.840 2.421 -5.648 48 H4* C 5 H4* C 5 8.783 4.537 -6.161 49 H3* C 5 H3* C 5 10.409 2.411 -5.822 50 H2* C 5 1H2* C 5 10.948 2.863 -3.493 51 2HO* C 5 2HO* C 5 12.768 4.304 -5.159 52 H1* C 5 H1* C 5 11.180 5.817 -4.341 53 1H4 C 5 1H4 C 5 10.632 5.864 2.244 54 2H4 C 5 2H4 C 5 12.004 6.864 1.809 55 H5 C 5 H5 C 5 9.350 4.635 0.589 56 H6 C 5 H6 C 5 9.184 4.053 -1.780 57 1H5* G 6 1H5* G 6 9.452 6.180 -9.148 58 2H5* G 6 2H5* G 6 9.543 6.083 -7.379 59 H4* G 6 H4* G 6 7.113 5.366 -9.011 60 H3* G 6 H3* G 6 7.838 8.005 -7.766 61 H2* G 6 1H2* G 6 5.571 8.274 -7.055 62 2HO* G 6 2HO* G 6 5.070 6.984 -9.275 63 H1* G 6 H1* G 6 5.159 5.545 -6.383 64 H8 G 6 H8 G 6 4.450 6.343 -4.077 65 H1 G 6 H1 G 6 10.228 8.915 -3.021 66 1H2 G 6 1H2 G 6 10.828 8.181 -6.346 67 2H2 G 6 2H2 G 6 11.436 8.861 -4.852 68 H3T G 6 H3T G 6 7.849 7.733 -10.004 69 1H5* C 7 1H5* C 7 16.135 12.626 0.378 70 2H5* C 7 2H5* C 7 16.334 14.285 -0.209 71 H4* C 7 H4* C 7 17.187 12.898 -1.880 72 H3* C 7 H3* C 7 15.398 14.659 -2.686 73 H2* C 7 1H2* C 7 13.377 13.394 -2.378 74 2HO* C 7 2HO* C 7 14.483 12.943 -4.930 75 H1* C 7 H1* C 7 14.586 10.837 -3.498 76 1H4 C 7 1H4 C 7 10.294 9.321 1.292 77 2H4 C 7 2H4 C 7 9.584 8.747 -0.202 78 H5 C 7 H5 C 7 12.361 10.574 1.362 79 H6 C 7 H6 C 7 14.164 11.519 0.023 80 H5T C 7 H5T C 7 14.160 14.343 -0.731 81 1H5* G 8 1H5* G 8 19.271 11.659 -4.404 82 2H5* G 8 2H5* G 8 17.672 11.457 -3.672 83 H4* G 8 H4* G 8 20.304 11.535 -2.195 84 H3* G 8 H3* G 8 18.577 9.176 -2.979 85 H2* G 8 1H2* G 8 19.167 8.178 -0.903 86 2HO* G 8 2HO* G 8 21.482 9.298 -1.452 87 H1* G 8 H1* G 8 19.467 10.731 0.475 88 H8 G 8 H8 G 8 18.059 10.204 2.469 89 H1 G 8 H1 G 8 13.508 7.489 -1.134 90 1H2 G 8 1H2 G 8 15.575 8.291 -3.790 91 2H2 G 8 2H2 G 8 14.069 7.573 -3.254 92 1H5* C 9 1H5* C 9 20.584 6.119 -5.549 93 2H5* C 9 2H5* C 9 19.318 6.750 -6.615 94 H4* C 9 H4* C 9 18.911 4.464 -5.761 95 H3* C 9 H3* C 9 16.989 6.509 -6.004 96 H2* C 9 1H2* C 9 16.497 6.675 -3.682 97 2HO* C 9 2HO* C 9 15.257 4.389 -3.302 98 H1* C 9 H1* C 9 17.362 3.726 -3.425 99 1H4 C 9 1H4 C 9 17.720 6.213 2.683 100 2H4 C 9 2H4 C 9 16.352 5.116 2.671 101 H5 C 9 H5 C 9 18.958 6.763 0.650 102 H6 C 9 H6 C 9 19.083 6.403 -1.765 103 1H5* G 10 1H5* G 10 18.440 1.822 -8.255 104 2H5* G 10 2H5* G 10 18.030 2.224 -6.577 105 H4* G 10 H4* G 10 20.724 2.426 -7.913 106 H3* G 10 H3* G 10 19.602 0.536 -5.871 107 H2* G 10 1H2* G 10 21.570 0.662 -4.585 108 2HO* G 10 2HO* G 10 22.637 0.674 -7.039 109 H1* G 10 H1* G 10 22.387 3.305 -5.506 110 H8 G 10 H8 G 10 22.959 4.229 -3.242 111 H1 G 10 H1 G 10 17.645 1.777 -0.628 112 1H2 G 10 1H2 G 10 17.067 0.468 -3.779 113 2H2 G 10 2H2 G 10 16.515 0.633 -2.125 114 1H5* C 11 1H5* C 11 20.577 -3.739 -6.410 115 2H5* C 11 2H5* C 11 19.094 -3.768 -7.382 116 H4* C 11 H4* C 11 18.654 -4.993 -5.428 117 H3* C 11 H3* C 11 16.950 -3.013 -6.051 118 H2* C 11 1H2* C 11 18.011 -1.313 -4.663 119 2HO* C 11 2HO* C 11 15.784 -2.515 -3.655 120 H1* C 11 H1* C 11 18.218 -3.506 -2.506 121 1H4 C 11 1H4 C 11 22.511 1.175 -0.692 122 2H4 C 11 2H4 C 11 21.495 0.826 0.691 123 H5 C 11 H5 C 11 22.155 0.150 -2.861 124 H6 C 11 H6 C 11 20.737 -1.373 -4.140 125 1H5* G 12 1H5* G 12 17.140 -7.911 -4.490 126 2H5* G 12 2H5* G 12 17.948 -6.405 -4.011 127 H4* G 12 H4* G 12 18.835 -8.166 -6.289 128 H3* G 12 H3* G 12 19.710 -8.229 -3.410 129 H2* G 12 1H2* G 12 21.965 -8.556 -4.130 130 2HO* G 12 2HO* G 12 20.754 -9.828 -6.118 131 H1* G 12 H1* G 12 21.780 -6.838 -6.398 132 H8 G 12 H8 G 12 23.826 -5.613 -5.525 133 H1 G 12 H1 G 12 20.782 -4.060 -0.102 134 1H2 G 12 1H2 G 12 18.290 -6.163 -1.257 135 2H2 G 12 2H2 G 12 18.847 -5.093 0.013 136 H3T G 12 H3T G 12 19.299 -10.214 -3.627 Start of MODEL 2 1 1H5* C 1 1H5* C 1 19.881 -1.827 7.224 2 2H5* C 1 2H5* C 1 20.030 -3.185 8.351 3 H4* C 1 H4* C 1 17.960 -3.434 7.304 4 H3* C 1 H3* C 1 19.523 -5.558 7.229 5 H2* C 1 1H2* C 1 20.730 -5.134 5.194 6 2HO* C 1 2HO* C 1 18.425 -6.639 4.803 7 H1* C 1 H1* C 1 18.251 -4.186 3.707 8 1H4 C 1 1H4 C 1 23.537 -0.841 1.574 9 2H4 C 1 2H4 C 1 23.053 -1.889 0.257 10 H5 C 1 H5 C 1 22.466 -0.893 3.748 11 H6 C 1 H6 C 1 20.726 -1.956 5.086 12 H5T C 1 H5T C 1 21.431 -4.187 6.961 13 1H5* G 2 1H5* G 2 14.544 -4.100 6.845 14 2H5* G 2 2H5* G 2 16.052 -3.872 5.948 15 H4* G 2 H4* G 2 14.960 -2.039 8.083 16 H3* G 2 H3* G 2 14.882 -1.792 5.065 17 H2* G 2 1H2* G 2 15.242 0.541 5.332 18 2HO* G 2 2HO* G 2 13.639 0.182 7.373 19 H1* G 2 H1* G 2 16.751 0.244 7.811 20 H8 G 2 H8 G 2 18.694 1.685 7.192 21 H1 G 2 H1 G 2 19.071 -0.881 1.330 22 1H2 G 2 1H2 G 2 16.369 -2.793 2.345 23 2H2 G 2 2H2 G 2 17.512 -2.410 1.074 24 1H5* C 3 1H5* C 3 10.821 -1.427 3.264 25 2H5* C 3 2H5* C 3 11.305 -3.045 2.728 26 H4* C 3 H4* C 3 11.294 -1.312 0.954 27 H3* C 3 H3* C 3 13.187 -3.348 1.267 28 H2* C 3 1H2* C 3 15.011 -1.916 1.835 29 2HO* C 3 2HO* C 3 14.667 -2.205 -0.874 30 H1* C 3 H1* C 3 13.656 0.237 0.086 31 1H4 C 3 1H4 C 3 17.985 3.420 3.947 32 2H4 C 3 2H4 C 3 18.609 3.511 2.313 33 H5 C 3 H5 C 3 15.985 2.135 4.497 34 H6 C 3 H6 C 3 14.274 0.632 3.607 35 1H5* G 4 1H5* G 4 9.323 -1.649 -2.093 36 2H5* G 4 2H5* G 4 10.789 -0.840 -1.510 37 H4* G 4 H4* G 4 8.078 -0.905 -0.201 38 H3* G 4 H3* G 4 9.618 1.249 -1.618 39 H2* G 4 1H2* G 4 8.969 2.830 0.002 40 2HO* G 4 2HO* G 4 6.708 1.433 -0.152 41 H1* G 4 H1* G 4 8.666 0.939 2.186 42 H8 G 4 H8 G 4 9.993 2.234 3.889 43 H1 G 4 H1 G 4 14.566 3.611 -0.387 44 1H2 G 4 1H2 G 4 12.581 1.884 -2.616 45 2H2 G 4 2H2 G 4 14.056 2.789 -2.343 46 1H5* C 5 1H5* C 5 7.109 3.636 -4.562 47 2H5* C 5 2H5* C 5 7.830 2.485 -5.701 48 H4* C 5 H4* C 5 8.729 4.657 -6.104 49 H3* C 5 H3* C 5 10.380 2.530 -5.894 50 H2* C 5 1H2* C 5 10.928 2.865 -3.546 51 2HO* C 5 2HO* C 5 12.716 4.387 -5.165 52 H1* C 5 H1* C 5 11.119 5.860 -4.254 53 1H4 C 5 1H4 C 5 10.656 5.637 2.332 54 2H4 C 5 2H4 C 5 12.055 6.611 1.923 55 H5 C 5 H5 C 5 9.326 4.511 0.639 56 H6 C 5 H6 C 5 9.125 4.034 -1.752 57 1H5* G 6 1H5* G 6 9.365 6.411 -9.073 58 2H5* G 6 2H5* G 6 9.462 6.260 -7.308 59 H4* G 6 H4* G 6 7.043 5.553 -8.964 60 H3* G 6 H3* G 6 7.731 8.154 -7.625 61 H2* G 6 1H2* G 6 5.471 8.361 -6.871 62 2HO* G 6 2HO* G 6 4.963 7.132 -9.131 63 H1* G 6 H1* G 6 5.104 5.610 -6.286 64 H8 G 6 H8 G 6 4.439 6.354 -3.938 65 H1 G 6 H1 G 6 10.259 8.855 -2.939 66 1H2 G 6 1H2 G 6 10.771 8.220 -6.299 67 2H2 G 6 2H2 G 6 11.422 8.852 -4.801 68 H3T G 6 H3T G 6 7.732 8.074 -9.830 69 1H5* C 7 1H5* C 7 16.125 12.572 0.355 70 2H5* C 7 2H5* C 7 16.386 14.233 -0.204 71 H4* C 7 H4* C 7 17.198 12.899 -1.915 72 H3* C 7 H3* C 7 15.376 14.630 -2.699 73 H2* C 7 1H2* C 7 13.378 13.337 -2.331 74 2HO* C 7 2HO* C 7 14.405 13.047 -4.910 75 H1* C 7 H1* C 7 14.596 10.804 -3.499 76 1H4 C 7 1H4 C 7 10.445 9.166 1.370 77 2H4 C 7 2H4 C 7 9.707 8.601 -0.113 78 H5 C 7 H5 C 7 12.491 10.453 1.408 79 H6 C 7 H6 C 7 14.246 11.445 0.037 80 H5T C 7 H5T C 7 14.213 14.353 -0.770 81 1H5* G 8 1H5* G 8 19.153 11.587 -4.487 82 2H5* G 8 2H5* G 8 17.587 11.453 -3.673 83 H4* G 8 H4* G 8 20.258 11.565 -2.274 84 H3* G 8 H3* G 8 18.617 9.145 -3.056 85 H2* G 8 1H2* G 8 19.235 8.165 -0.982 86 2HO* G 8 2HO* G 8 21.518 9.327 -1.535 87 H1* G 8 H1* G 8 19.473 10.723 0.399 88 H8 G 8 H8 G 8 18.129 10.106 2.410 89 H1 G 8 H1 G 8 13.559 7.375 -1.158 90 1H2 G 8 1H2 G 8 15.549 8.277 -3.836 91 2H2 G 8 2H2 G 8 14.070 7.515 -3.283 92 1H5* C 9 1H5* C 9 20.616 6.114 -5.635 93 2H5* C 9 2H5* C 9 19.358 6.789 -6.685 94 H4* C 9 H4* C 9 18.917 4.492 -5.871 95 H3* C 9 H3* C 9 17.028 6.556 -6.105 96 H2* C 9 1H2* C 9 16.589 6.758 -3.768 97 2HO* C 9 2HO* C 9 15.126 4.750 -4.952 98 H1* C 9 H1* C 9 17.328 3.770 -3.535 99 1H4 C 9 1H4 C 9 17.742 6.222 2.594 100 2H4 C 9 2H4 C 9 16.387 5.111 2.582 101 H5 C 9 H5 C 9 18.975 6.783 0.557 102 H6 C 9 H6 C 9 19.092 6.433 -1.860 103 1H5* G 10 1H5* G 10 18.371 1.789 -8.230 104 2H5* G 10 2H5* G 10 17.993 2.255 -6.563 105 H4* G 10 H4* G 10 20.669 2.357 -7.942 106 H3* G 10 H3* G 10 19.540 0.576 -5.806 107 H2* G 10 1H2* G 10 21.564 0.667 -4.599 108 2HO* G 10 2HO* G 10 22.548 0.611 -7.071 109 H1* G 10 H1* G 10 22.375 3.291 -5.530 110 H8 G 10 H8 G 10 22.916 4.230 -3.257 111 H1 G 10 H1 G 10 17.555 1.796 -0.726 112 1H2 G 10 1H2 G 10 17.021 0.492 -3.881 113 2H2 G 10 2H2 G 10 16.446 0.661 -2.236 114 1H5* C 11 1H5* C 11 20.390 -3.776 -6.362 115 2H5* C 11 2H5* C 11 18.801 -3.767 -7.148 116 H4* C 11 H4* C 11 18.639 -4.962 -5.097 117 H3* C 11 H3* C 11 16.827 -3.042 -5.672 118 H2* C 11 1H2* C 11 17.929 -1.276 -4.407 119 2HO* C 11 2HO* C 11 16.811 -1.921 -2.080 120 H1* C 11 H1* C 11 18.382 -3.435 -2.252 121 1H4 C 11 1H4 C 11 22.549 1.441 -0.681 122 2H4 C 11 2H4 C 11 21.580 1.091 0.736 123 H5 C 11 H5 C 11 22.159 0.350 -2.822 124 H6 C 11 H6 C 11 20.741 -1.242 -4.021 125 1H5* G 12 1H5* G 12 17.115 -7.950 -4.188 126 2H5* G 12 2H5* G 12 17.979 -6.468 -3.735 127 H4* G 12 H4* G 12 18.642 -8.192 -6.116 128 H3* G 12 H3* G 12 19.775 -8.273 -3.333 129 H2* G 12 1H2* G 12 21.966 -8.569 -4.246 130 2HO* G 12 2HO* G 12 20.653 -9.867 -6.105 131 H1* G 12 H1* G 12 21.605 -6.796 -6.433 132 H8 G 12 H8 G 12 23.700 -5.601 -5.595 133 H1 G 12 H1 G 12 20.791 -4.096 -0.085 134 1H2 G 12 1H2 G 12 18.272 -6.194 -1.194 135 2H2 G 12 2H2 G 12 18.862 -5.134 0.070 136 H3T G 12 H3T G 12 18.588 -9.986 -3.867 Start of MODEL 3 1 1H5* C 1 1H5* C 1 19.924 -1.894 7.235 2 2H5* C 1 2H5* C 1 20.055 -3.258 8.357 3 H4* C 1 H4* C 1 17.976 -3.474 7.331 4 H3* C 1 H3* C 1 19.506 -5.620 7.216 5 H2* C 1 1H2* C 1 20.694 -5.195 5.170 6 2HO* C 1 2HO* C 1 18.353 -6.650 4.784 7 H1* C 1 H1* C 1 18.215 -4.191 3.721 8 1H4 C 1 1H4 C 1 23.528 -0.899 1.575 9 2H4 C 1 2H4 C 1 23.017 -1.928 0.251 10 H5 C 1 H5 C 1 22.478 -0.961 3.757 11 H6 C 1 H6 C 1 20.734 -2.014 5.100 12 H5T C 1 H5T C 1 21.956 -3.243 7.284 13 1H5* G 2 1H5* G 2 14.571 -4.098 6.787 14 2H5* G 2 2H5* G 2 16.119 -3.882 5.960 15 H4* G 2 H4* G 2 15.007 -2.053 8.087 16 H3* G 2 H3* G 2 14.897 -1.796 5.074 17 H2* G 2 1H2* G 2 15.304 0.528 5.330 18 2HO* G 2 2HO* G 2 13.701 0.203 7.376 19 H1* G 2 H1* G 2 16.810 0.217 7.813 20 H8 G 2 H8 G 2 18.776 1.630 7.207 21 H1 G 2 H1 G 2 19.097 -0.876 1.315 22 1H2 G 2 1H2 G 2 16.374 -2.764 2.320 23 2H2 G 2 2H2 G 2 17.519 -2.380 1.050 24 1H5* C 3 1H5* C 3 10.833 -1.379 3.301 25 2H5* C 3 2H5* C 3 11.306 -3.000 2.763 26 H4* C 3 H4* C 3 11.303 -1.269 0.990 27 H3* C 3 H3* C 3 13.185 -3.315 1.301 28 H2* C 3 1H2* C 3 15.017 -1.890 1.863 29 2HO* C 3 2HO* C 3 14.665 -2.173 -0.850 30 H1* C 3 H1* C 3 13.667 0.266 0.113 31 1H4 C 3 1H4 C 3 18.038 3.424 3.950 32 2H4 C 3 2H4 C 3 18.652 3.514 2.311 33 H5 C 3 H5 C 3 16.034 2.149 4.513 34 H6 C 3 H6 C 3 14.309 0.659 3.633 35 1H5* G 4 1H5* G 4 9.323 -1.625 -2.068 36 2H5* G 4 2H5* G 4 10.790 -0.814 -1.488 37 H4* G 4 H4* G 4 8.078 -0.869 -0.179 38 H3* G 4 H3* G 4 9.620 1.272 -1.610 39 H2* G 4 1H2* G 4 8.981 2.865 0.000 40 2HO* G 4 2HO* G 4 6.714 1.467 -0.134 41 H1* G 4 H1* G 4 8.671 0.990 2.198 42 H8 G 4 H8 G 4 10.003 2.288 3.892 43 H1 G 4 H1 G 4 14.576 3.630 -0.395 44 1H2 G 4 1H2 G 4 12.585 1.895 -2.613 45 2H2 G 4 2H2 G 4 14.063 2.797 -2.349 46 1H5* C 5 1H5* C 5 7.089 3.623 -4.584 47 2H5* C 5 2H5* C 5 7.793 2.448 -5.709 48 H4* C 5 H4* C 5 8.697 4.602 -6.172 49 H3* C 5 H3* C 5 10.349 2.484 -5.924 50 H2* C 5 1H2* C 5 10.895 2.859 -3.581 51 2HO* C 5 2HO* C 5 12.690 4.316 -5.249 52 H1* C 5 H1* C 5 11.105 5.840 -4.342 53 1H4 C 5 1H4 C 5 10.619 5.729 2.245 54 2H4 C 5 2H4 C 5 12.019 6.698 1.825 55 H5 C 5 H5 C 5 9.295 4.573 0.567 56 H6 C 5 H6 C 5 9.102 4.055 -1.814 57 1H5* G 6 1H5* G 6 9.343 6.365 -9.108 58 2H5* G 6 2H5* G 6 9.449 6.205 -7.344 59 H4* G 6 H4* G 6 7.012 5.525 -8.981 60 H3* G 6 H3* G 6 7.729 8.124 -7.651 61 H2* G 6 1H2* G 6 5.471 8.349 -6.897 62 2HO* G 6 2HO* G 6 4.952 7.116 -9.153 63 H1* G 6 H1* G 6 5.089 5.600 -6.305 64 H8 G 6 H8 G 6 4.426 6.337 -3.959 65 H1 G 6 H1 G 6 10.237 8.857 -2.956 66 1H2 G 6 1H2 G 6 10.754 8.224 -6.317 67 2H2 G 6 2H2 G 6 11.403 8.859 -4.818 68 H3T G 6 H3T G 6 7.703 7.900 -9.906 69 1H5* C 7 1H5* C 7 16.108 12.545 0.384 70 2H5* C 7 2H5* C 7 16.370 14.210 -0.162 71 H4* C 7 H4* C 7 17.181 12.885 -1.882 72 H3* C 7 H3* C 7 15.368 14.629 -2.654 73 H2* C 7 1H2* C 7 13.365 13.341 -2.285 74 2HO* C 7 2HO* C 7 14.383 13.024 -4.876 75 H1* C 7 H1* C 7 14.572 10.817 -3.486 76 1H4 C 7 1H4 C 7 10.413 9.143 1.367 77 2H4 C 7 2H4 C 7 9.673 8.597 -0.123 78 H5 C 7 H5 C 7 12.467 10.419 1.417 79 H6 C 7 H6 C 7 14.225 11.419 0.056 80 H5T C 7 H5T C 7 14.312 14.497 0.045 81 1H5* G 8 1H5* G 8 19.142 11.593 -4.457 82 2H5* G 8 2H5* G 8 17.575 11.451 -3.647 83 H4* G 8 H4* G 8 20.243 11.567 -2.240 84 H3* G 8 H3* G 8 18.615 9.143 -3.039 85 H2* G 8 1H2* G 8 19.229 8.157 -0.967 86 2HO* G 8 2HO* G 8 21.509 9.336 -1.505 87 H1* G 8 H1* G 8 19.450 10.709 0.427 88 H8 G 8 H8 G 8 18.103 10.073 2.429 89 H1 G 8 H1 G 8 13.547 7.362 -1.170 90 1H2 G 8 1H2 G 8 15.549 8.274 -3.838 91 2H2 G 8 2H2 G 8 14.067 7.511 -3.294 92 1H5* C 9 1H5* C 9 20.628 6.131 -5.622 93 2H5* C 9 2H5* C 9 19.367 6.804 -6.670 94 H4* C 9 H4* C 9 18.932 4.505 -5.863 95 H3* C 9 H3* C 9 17.040 6.566 -6.087 96 H2* C 9 1H2* C 9 16.605 6.763 -3.749 97 2HO* C 9 2HO* C 9 15.138 4.763 -4.938 98 H1* C 9 H1* C 9 17.346 3.774 -3.524 99 1H4 C 9 1H4 C 9 17.775 6.217 2.607 100 2H4 C 9 2H4 C 9 16.412 5.115 2.595 101 H5 C 9 H5 C 9 19.010 6.773 0.570 102 H6 C 9 H6 C 9 19.123 6.423 -1.847 103 1H5* G 10 1H5* G 10 18.374 1.802 -8.228 104 2H5* G 10 2H5* G 10 18.001 2.265 -6.558 105 H4* G 10 H4* G 10 20.675 2.366 -7.943 106 H3* G 10 H3* G 10 19.546 0.582 -5.808 107 H2* G 10 1H2* G 10 21.571 0.668 -4.604 108 2HO* G 10 2HO* G 10 22.549 0.630 -7.088 109 H1* G 10 H1* G 10 22.388 3.291 -5.541 110 H8 G 10 H8 G 10 22.949 4.228 -3.274 111 H1 G 10 H1 G 10 17.594 1.822 -0.704 112 1H2 G 10 1H2 G 10 17.033 0.517 -3.854 113 2H2 G 10 2H2 G 10 16.469 0.691 -2.205 114 1H5* C 11 1H5* C 11 20.403 -3.760 -6.361 115 2H5* C 11 2H5* C 11 18.820 -3.763 -7.159 116 H4* C 11 H4* C 11 18.639 -4.957 -5.115 117 H3* C 11 H3* C 11 16.833 -3.035 -5.685 118 H2* C 11 1H2* C 11 17.950 -1.271 -4.428 119 2HO* C 11 2HO* C 11 16.814 -1.934 -2.100 120 H1* C 11 H1* C 11 18.382 -3.425 -2.263 121 1H4 C 11 1H4 C 11 22.585 1.420 -0.697 122 2H4 C 11 2H4 C 11 21.619 1.071 0.723 123 H5 C 11 H5 C 11 22.180 0.340 -2.839 124 H6 C 11 H6 C 11 20.752 -1.243 -4.036 125 1H5* G 12 1H5* G 12 17.115 -7.929 -4.166 126 2H5* G 12 2H5* G 12 17.988 -6.444 -3.739 127 H4* G 12 H4* G 12 18.625 -8.197 -6.107 128 H3* G 12 H3* G 12 19.771 -8.268 -3.329 129 H2* G 12 1H2* G 12 21.957 -8.579 -4.247 130 2HO* G 12 2HO* G 12 20.811 -8.823 -6.842 131 H1* G 12 H1* G 12 21.606 -6.809 -6.435 132 H8 G 12 H8 G 12 23.697 -5.611 -5.592 133 H1 G 12 H1 G 12 20.769 -4.103 -0.092 134 1H2 G 12 1H2 G 12 18.255 -6.202 -1.212 135 2H2 G 12 2H2 G 12 18.836 -5.141 0.055 136 H3T G 12 H3T G 12 19.970 -10.402 -4.964 Start of MODEL 4 1 1H5* C 1 1H5* C 1 19.962 -2.167 7.151 2 2H5* C 1 2H5* C 1 20.040 -3.462 8.359 3 H4* C 1 H4* C 1 17.951 -3.672 7.359 4 H3* C 1 H3* C 1 19.390 -5.877 7.339 5 H2* C 1 1H2* C 1 20.607 -5.565 5.285 6 2HO* C 1 2HO* C 1 18.239 -6.990 4.960 7 H1* C 1 H1* C 1 18.150 -4.579 3.782 8 1H4 C 1 1H4 C 1 23.499 -1.470 1.469 9 2H4 C 1 2H4 C 1 22.943 -2.512 0.177 10 H5 C 1 H5 C 1 22.494 -1.458 3.667 11 H6 C 1 H6 C 1 20.749 -2.428 5.066 12 H5T C 1 H5T C 1 21.955 -3.403 7.168 13 1H5* G 2 1H5* G 2 14.528 -4.150 6.865 14 2H5* G 2 2H5* G 2 16.078 -4.017 6.019 15 H4* G 2 H4* G 2 15.069 -2.102 8.123 16 H3* G 2 H3* G 2 14.946 -1.881 5.107 17 H2* G 2 1H2* G 2 15.424 0.435 5.346 18 2HO* G 2 2HO* G 2 13.826 0.193 7.390 19 H1* G 2 H1* G 2 16.960 0.082 7.802 20 H8 G 2 H8 G 2 18.934 1.452 7.128 21 H1 G 2 H1 G 2 19.125 -1.211 1.303 22 1H2 G 2 1H2 G 2 16.385 -3.021 2.380 23 2H2 G 2 2H2 G 2 17.522 -2.688 1.089 24 1H5* C 3 1H5* C 3 10.913 -1.384 3.303 25 2H5* C 3 2H5* C 3 11.430 -2.978 2.727 26 H4* C 3 H4* C 3 11.438 -1.202 1.006 27 H3* C 3 H3* C 3 13.384 -3.196 1.326 28 H2* C 3 1H2* C 3 15.159 -1.717 1.928 29 2HO* C 3 2HO* C 3 14.845 -1.964 -0.788 30 H1* C 3 H1* C 3 13.734 0.424 0.220 31 1H4 C 3 1H4 C 3 17.909 3.725 4.142 32 2H4 C 3 2H4 C 3 18.524 3.881 2.508 33 H5 C 3 H5 C 3 15.982 2.321 4.675 34 H6 C 3 H6 C 3 14.339 0.761 3.753 35 1H5* G 4 1H5* G 4 9.481 -1.587 -2.053 36 2H5* G 4 2H5* G 4 10.917 -0.727 -1.466 37 H4* G 4 H4* G 4 8.205 -0.887 -0.164 38 H3* G 4 H3* G 4 9.662 1.318 -1.585 39 H2* G 4 1H2* G 4 8.997 2.879 0.047 40 2HO* G 4 2HO* G 4 6.768 1.418 -0.086 41 H1* G 4 H1* G 4 8.744 0.980 2.233 42 H8 G 4 H8 G 4 10.058 2.282 3.935 43 H1 G 4 H1 G 4 14.562 3.807 -0.364 44 1H2 G 4 1H2 G 4 12.605 2.049 -2.593 45 2H2 G 4 2H2 G 4 14.059 2.986 -2.322 46 1H5* C 5 1H5* C 5 7.105 3.577 -4.593 47 2H5* C 5 2H5* C 5 7.873 2.413 -5.689 48 H4* C 5 H4* C 5 8.724 4.604 -6.127 49 H3* C 5 H3* C 5 10.417 2.519 -5.866 50 H2* C 5 1H2* C 5 10.920 2.897 -3.513 51 2HO* C 5 2HO* C 5 12.707 4.405 -5.144 52 H1* C 5 H1* C 5 11.072 5.883 -4.267 53 1H4 C 5 1H4 C 5 10.506 5.790 2.312 54 2H4 C 5 2H4 C 5 11.902 6.770 1.906 55 H5 C 5 H5 C 5 9.218 4.610 0.621 56 H6 C 5 H6 C 5 9.064 4.080 -1.762 57 1H5* G 6 1H5* G 6 9.338 6.326 -9.122 58 2H5* G 6 2H5* G 6 9.434 6.223 -7.353 59 H4* G 6 H4* G 6 7.039 5.419 -8.998 60 H3* G 6 H3* G 6 7.658 8.060 -7.706 61 H2* G 6 1H2* G 6 5.391 8.224 -6.964 62 2HO* G 6 2HO* G 6 4.921 6.941 -9.201 63 H1* G 6 H1* G 6 5.092 5.478 -6.324 64 H8 G 6 H8 G 6 4.400 6.262 -3.996 65 H1 G 6 H1 G 6 10.168 8.895 -3.030 66 1H2 G 6 1H2 G 6 10.703 8.200 -6.375 67 2H2 G 6 2H2 G 6 11.337 8.876 -4.888 68 H3T G 6 H3T G 6 7.624 7.689 -9.988 69 1H5* C 7 1H5* C 7 15.926 12.789 0.182 70 2H5* C 7 2H5* C 7 16.229 14.434 -0.402 71 H4* C 7 H4* C 7 17.066 13.088 -2.075 72 H3* C 7 H3* C 7 15.232 14.760 -2.945 73 H2* C 7 1H2* C 7 13.250 13.447 -2.555 74 2HO* C 7 2HO* C 7 14.301 13.141 -5.112 75 H1* C 7 H1* C 7 14.521 10.901 -3.636 76 1H4 C 7 1H4 C 7 10.352 9.322 1.238 77 2H4 C 7 2H4 C 7 9.633 8.713 -0.238 78 H5 C 7 H5 C 7 12.380 10.638 1.257 79 H6 C 7 H6 C 7 14.131 11.623 -0.123 80 H5T C 7 H5T C 7 14.072 14.562 -1.050 81 1H5* G 8 1H5* G 8 19.011 11.663 -4.587 82 2H5* G 8 2H5* G 8 17.447 11.595 -3.760 83 H4* G 8 H4* G 8 20.101 11.774 -2.341 84 H3* G 8 H3* G 8 18.555 9.288 -3.110 85 H2* G 8 1H2* G 8 19.124 8.376 -0.994 86 2HO* G 8 2HO* G 8 21.405 9.507 -1.509 87 H1* G 8 H1* G 8 19.281 10.973 0.330 88 H8 G 8 H8 G 8 17.923 10.362 2.333 89 H1 G 8 H1 G 8 13.464 7.470 -1.250 90 1H2 G 8 1H2 G 8 15.474 8.355 -3.915 91 2H2 G 8 2H2 G 8 14.003 7.576 -3.366 92 1H5* C 9 1H5* C 9 20.645 6.252 -5.572 93 2H5* C 9 2H5* C 9 19.393 6.891 -6.650 94 H4* C 9 H4* C 9 18.963 4.607 -5.796 95 H3* C 9 H3* C 9 17.057 6.641 -6.097 96 H2* C 9 1H2* C 9 16.609 6.904 -3.764 97 2HO* C 9 2HO* C 9 15.161 4.848 -4.901 98 H1* C 9 H1* C 9 17.349 3.921 -3.461 99 1H4 C 9 1H4 C 9 17.685 6.506 2.618 100 2H4 C 9 2H4 C 9 16.337 5.386 2.618 101 H5 C 9 H5 C 9 18.940 7.026 0.586 102 H6 C 9 H6 C 9 19.085 6.624 -1.822 103 1H5* G 10 1H5* G 10 18.451 1.830 -8.125 104 2H5* G 10 2H5* G 10 18.042 2.298 -6.464 105 H4* G 10 H4* G 10 20.739 2.412 -7.799 106 H3* G 10 H3* G 10 19.580 0.633 -5.681 107 H2* G 10 1H2* G 10 21.561 0.759 -4.416 108 2HO* G 10 2HO* G 10 22.616 0.727 -6.882 109 H1* G 10 H1* G 10 22.396 3.372 -5.368 110 H8 G 10 H8 G 10 22.877 4.376 -3.111 111 H1 G 10 H1 G 10 17.526 1.883 -0.613 112 1H2 G 10 1H2 G 10 17.058 0.518 -3.743 113 2H2 G 10 2H2 G 10 16.458 0.708 -2.109 114 1H5* C 11 1H5* C 11 20.427 -3.800 -6.364 115 2H5* C 11 2H5* C 11 18.821 -3.695 -7.109 116 H4* C 11 H4* C 11 18.691 -4.968 -5.087 117 H3* C 11 H3* C 11 16.887 -3.030 -5.593 118 H2* C 11 1H2* C 11 18.045 -1.287 -4.341 119 2HO* C 11 2HO* C 11 16.968 -1.853 -2.006 120 H1* C 11 H1* C 11 18.492 -3.460 -2.200 121 1H4 C 11 1H4 C 11 22.769 1.335 -0.686 122 2H4 C 11 2H4 C 11 21.827 0.984 0.750 123 H5 C 11 H5 C 11 22.320 0.265 -2.822 124 H6 C 11 H6 C 11 20.843 -1.281 -4.008 125 1H5* G 12 1H5* G 12 17.052 -7.978 -4.283 126 2H5* G 12 2H5* G 12 17.999 -6.556 -3.805 127 H4* G 12 H4* G 12 18.477 -8.190 -6.294 128 H3* G 12 H3* G 12 19.715 -8.470 -3.571 129 H2* G 12 1H2* G 12 21.856 -8.798 -4.580 130 2HO* G 12 2HO* G 12 22.028 -9.200 -6.832 131 H1* G 12 H1* G 12 21.498 -6.894 -6.653 132 H8 G 12 H8 G 12 23.663 -5.828 -5.815 133 H1 G 12 H1 G 12 20.972 -4.522 -0.142 134 1H2 G 12 1H2 G 12 18.344 -6.454 -1.292 135 2H2 G 12 2H2 G 12 19.005 -5.491 0.013 136 H3T G 12 H3T G 12 19.566 -10.398 -5.552 Start of MODEL 5 1 1H5* C 1 1H5* C 1 20.020 -2.230 7.163 2 2H5* C 1 2H5* C 1 20.042 -3.501 8.396 3 H4* C 1 H4* C 1 17.977 -3.722 7.385 4 H3* C 1 H3* C 1 19.399 -5.934 7.317 5 H2* C 1 1H2* C 1 20.627 -5.579 5.274 6 2HO* C 1 2HO* C 1 18.230 -6.959 4.877 7 H1* C 1 H1* C 1 18.176 -4.554 3.787 8 1H4 C 1 1H4 C 1 23.533 -1.407 1.545 9 2H4 C 1 2H4 C 1 22.983 -2.432 0.236 10 H5 C 1 H5 C 1 22.518 -1.430 3.740 11 H6 C 1 H6 C 1 20.769 -2.426 5.116 12 H5T C 1 H5T C 1 21.688 -4.350 7.424 13 1H5* G 2 1H5* G 2 14.571 -4.171 6.784 14 2H5* G 2 2H5* G 2 16.154 -4.035 6.005 15 H4* G 2 H4* G 2 15.127 -2.156 8.128 16 H3* G 2 H3* G 2 14.962 -1.877 5.118 17 H2* G 2 1H2* G 2 15.462 0.430 5.389 18 2HO* G 2 2HO* G 2 13.887 0.167 7.446 19 H1* G 2 H1* G 2 17.026 0.029 7.819 20 H8 G 2 H8 G 2 18.986 1.415 7.135 21 H1 G 2 H1 G 2 19.128 -1.207 1.289 22 1H2 G 2 1H2 G 2 16.398 -3.026 2.381 23 2H2 G 2 2H2 G 2 17.520 -2.684 1.079 24 1H5* C 3 1H5* C 3 10.937 -1.352 3.354 25 2H5* C 3 2H5* C 3 11.444 -2.939 2.754 26 H4* C 3 H4* C 3 11.459 -1.132 1.062 27 H3* C 3 H3* C 3 13.400 -3.144 1.351 28 H2* C 3 1H2* C 3 15.192 -1.678 1.930 29 2HO* C 3 2HO* C 3 14.799 -1.818 -0.803 30 H1* C 3 H1* C 3 13.739 0.490 0.282 31 1H4 C 3 1H4 C 3 18.005 3.710 4.178 32 2H4 C 3 2H4 C 3 18.598 3.876 2.536 33 H5 C 3 H5 C 3 16.066 2.321 4.722 34 H6 C 3 H6 C 3 14.397 0.786 3.807 35 1H5* G 4 1H5* G 4 9.486 -1.546 -2.026 36 2H5* G 4 2H5* G 4 10.918 -0.687 -1.430 37 H4* G 4 H4* G 4 8.198 -0.846 -0.147 38 H3* G 4 H3* G 4 9.673 1.361 -1.546 39 H2* G 4 1H2* G 4 8.987 2.918 0.083 40 2HO* G 4 2HO* G 4 6.770 1.418 -0.045 41 H1* G 4 H1* G 4 8.739 1.023 2.266 42 H8 G 4 H8 G 4 10.071 2.314 3.965 43 H1 G 4 H1 G 4 14.551 3.825 -0.364 44 1H2 G 4 1H2 G 4 12.566 2.084 -2.581 45 2H2 G 4 2H2 G 4 14.028 3.013 -2.321 46 1H5* C 5 1H5* C 5 7.092 3.623 -4.565 47 2H5* C 5 2H5* C 5 7.813 2.436 -5.666 48 H4* C 5 H4* C 5 8.683 4.596 -6.171 49 H3* C 5 H3* C 5 10.369 2.515 -5.904 50 H2* C 5 1H2* C 5 10.882 2.911 -3.553 51 2HO* C 5 2HO* C 5 12.688 4.370 -5.207 52 H1* C 5 H1* C 5 11.087 5.885 -4.338 53 1H4 C 5 1H4 C 5 10.529 5.844 2.242 54 2H4 C 5 2H4 C 5 11.927 6.817 1.827 55 H5 C 5 H5 C 5 9.229 4.662 0.564 56 H6 C 5 H6 C 5 9.066 4.116 -1.814 57 1H5* G 6 1H5* G 6 9.355 6.343 -9.135 58 2H5* G 6 2H5* G 6 9.414 6.193 -7.368 59 H4* G 6 H4* G 6 7.042 5.441 -9.067 60 H3* G 6 H3* G 6 7.668 8.074 -7.762 61 H2* G 6 1H2* G 6 5.392 8.263 -7.054 62 2HO* G 6 2HO* G 6 4.772 5.943 -8.590 63 H1* G 6 H1* G 6 5.055 5.521 -6.416 64 H8 G 6 H8 G 6 4.349 6.299 -4.093 65 H1 G 6 H1 G 6 10.117 8.912 -3.068 66 1H2 G 6 1H2 G 6 10.684 8.217 -6.408 67 2H2 G 6 2H2 G 6 11.305 8.889 -4.914 68 H3T G 6 H3T G 6 5.891 7.897 -9.791 69 1H5* C 7 1H5* C 7 15.953 12.718 0.221 70 2H5* C 7 2H5* C 7 16.182 14.376 -0.360 71 H4* C 7 H4* C 7 17.049 13.019 -2.032 72 H3* C 7 H3* C 7 15.231 14.726 -2.873 73 H2* C 7 1H2* C 7 13.235 13.425 -2.516 74 2HO* C 7 2HO* C 7 14.302 13.110 -5.077 75 H1* C 7 H1* C 7 14.488 10.886 -3.636 76 1H4 C 7 1H4 C 7 10.282 9.268 1.192 77 2H4 C 7 2H4 C 7 9.561 8.693 -0.295 78 H5 C 7 H5 C 7 12.324 10.559 1.244 79 H6 C 7 H6 C 7 14.090 11.549 -0.113 80 H5T C 7 H5T C 7 14.093 14.138 0.444 81 1H5* G 8 1H5* G 8 19.093 11.710 -4.540 82 2H5* G 8 2H5* G 8 17.509 11.545 -3.766 83 H4* G 8 H4* G 8 20.144 11.732 -2.307 84 H3* G 8 H3* G 8 18.558 9.273 -3.082 85 H2* G 8 1H2* G 8 19.133 8.342 -0.975 86 2HO* G 8 2HO* G 8 21.423 9.465 -1.499 87 H1* G 8 H1* G 8 19.326 10.931 0.360 88 H8 G 8 H8 G 8 17.962 10.339 2.367 89 H1 G 8 H1 G 8 13.475 7.476 -1.202 90 1H2 G 8 1H2 G 8 15.490 8.346 -3.874 91 2H2 G 8 2H2 G 8 14.014 7.577 -3.324 92 1H5* C 9 1H5* C 9 20.613 6.257 -5.601 93 2H5* C 9 2H5* C 9 19.353 6.901 -6.667 94 H4* C 9 H4* C 9 18.932 4.613 -5.826 95 H3* C 9 H3* C 9 17.020 6.645 -6.099 96 H2* C 9 1H2* C 9 16.597 6.898 -3.760 97 2HO* C 9 2HO* C 9 15.133 4.852 -4.893 98 H1* C 9 H1* C 9 17.334 3.912 -3.480 99 1H4 C 9 1H4 C 9 17.732 6.452 2.613 100 2H4 C 9 2H4 C 9 16.370 5.349 2.613 101 H5 C 9 H5 C 9 18.977 6.973 0.576 102 H6 C 9 H6 C 9 19.101 6.587 -1.836 103 1H5* G 10 1H5* G 10 18.411 1.831 -8.136 104 2H5* G 10 2H5* G 10 18.003 2.295 -6.473 105 H4* G 10 H4* G 10 20.700 2.415 -7.811 106 H3* G 10 H3* G 10 19.546 0.629 -5.694 107 H2* G 10 1H2* G 10 21.533 0.754 -4.437 108 2HO* G 10 2HO* G 10 22.578 0.687 -6.892 109 H1* G 10 H1* G 10 22.364 3.368 -5.399 110 H8 G 10 H8 G 10 22.865 4.387 -3.156 111 H1 G 10 H1 G 10 17.563 1.870 -0.576 112 1H2 G 10 1H2 G 10 17.066 0.483 -3.690 113 2H2 G 10 2H2 G 10 16.490 0.674 -2.049 114 1H5* C 11 1H5* C 11 20.433 -3.792 -6.374 115 2H5* C 11 2H5* C 11 18.845 -3.712 -7.158 116 H4* C 11 H4* C 11 18.662 -4.993 -5.157 117 H3* C 11 H3* C 11 16.872 -3.044 -5.657 118 H2* C 11 1H2* C 11 18.023 -1.317 -4.376 119 2HO* C 11 2HO* C 11 16.234 -2.755 -2.685 120 H1* C 11 H1* C 11 18.438 -3.505 -2.243 121 1H4 C 11 1H4 C 11 22.713 1.282 -0.692 122 2H4 C 11 2H4 C 11 21.788 0.904 0.747 123 H5 C 11 H5 C 11 22.260 0.238 -2.838 124 H6 C 11 H6 C 11 20.788 -1.303 -4.036 125 1H5* G 12 1H5* G 12 17.083 -7.980 -4.295 126 2H5* G 12 2H5* G 12 17.996 -6.530 -3.831 127 H4* G 12 H4* G 12 18.546 -8.189 -6.287 128 H3* G 12 H3* G 12 19.736 -8.430 -3.538 129 H2* G 12 1H2* G 12 21.895 -8.756 -4.513 130 2HO* G 12 2HO* G 12 20.506 -9.928 -6.393 131 H1* G 12 H1* G 12 21.552 -6.871 -6.605 132 H8 G 12 H8 G 12 23.688 -5.764 -5.758 133 H1 G 12 H1 G 12 20.945 -4.492 -0.103 134 1H2 G 12 1H2 G 12 18.355 -6.470 -1.263 135 2H2 G 12 2H2 G 12 18.994 -5.493 0.044 136 H3T G 12 H3T G 12 18.302 -9.978 -4.477 Start of MODEL 6 1 1H5* C 1 1H5* C 1 19.959 -1.629 7.201 2 2H5* C 1 2H5* C 1 20.097 -2.965 8.355 3 H4* C 1 H4* C 1 18.020 -3.226 7.348 4 H3* C 1 H3* C 1 19.570 -5.356 7.247 5 H2* C 1 1H2* C 1 20.739 -4.949 5.189 6 2HO* C 1 2HO* C 1 18.357 -6.372 4.768 7 H1* C 1 H1* C 1 18.250 -3.982 3.735 8 1H4 C 1 1H4 C 1 23.513 -0.627 1.568 9 2H4 C 1 2H4 C 1 23.055 -1.705 0.266 10 H5 C 1 H5 C 1 22.432 -0.659 3.735 11 H6 C 1 H6 C 1 20.698 -1.722 5.082 12 H5T C 1 H5T C 1 21.994 -2.983 7.284 13 1H5* G 2 1H5* G 2 14.638 -3.905 6.758 14 2H5* G 2 2H5* G 2 16.211 -3.676 5.980 15 H4* G 2 H4* G 2 15.057 -1.842 8.078 16 H3* G 2 H3* G 2 14.857 -1.640 5.068 17 H2* G 2 1H2* G 2 15.248 0.691 5.259 18 2HO* G 2 2HO* G 2 13.699 0.379 7.364 19 H1* G 2 H1* G 2 16.789 0.461 7.731 20 H8 G 2 H8 G 2 18.752 1.868 7.114 21 H1 G 2 H1 G 2 19.021 -0.610 1.207 22 1H2 G 2 1H2 G 2 16.283 -2.474 2.214 23 2H2 G 2 2H2 G 2 17.416 -2.094 0.934 24 1H5* C 3 1H5* C 3 10.685 -1.133 3.438 25 2H5* C 3 2H5* C 3 11.087 -2.793 2.968 26 H4* C 3 H4* C 3 11.035 -1.158 1.104 27 H3* C 3 H3* C 3 12.944 -3.210 1.483 28 H2* C 3 1H2* C 3 14.863 -1.834 1.592 29 2HO* C 3 2HO* C 3 13.994 -2.033 -1.037 30 H1* C 3 H1* C 3 13.356 0.358 0.049 31 1H4 C 3 1H4 C 3 17.943 3.445 3.656 32 2H4 C 3 2H4 C 3 18.506 3.517 2.000 33 H5 C 3 H5 C 3 15.970 2.189 4.304 34 H6 C 3 H6 C 3 14.201 0.704 3.515 35 1H5* G 4 1H5* G 4 8.898 -1.716 -1.731 36 2H5* G 4 2H5* G 4 10.419 -0.947 -1.242 37 H4* G 4 H4* G 4 7.738 -0.746 0.114 38 H3* G 4 H3* G 4 9.381 1.223 -1.463 39 H2* G 4 1H2* G 4 8.733 2.941 0.026 40 2HO* G 4 2HO* G 4 6.458 1.551 -0.023 41 H1* G 4 H1* G 4 8.409 1.192 2.327 42 H8 G 4 H8 G 4 9.747 2.524 3.961 43 H1 G 4 H1 G 4 14.387 3.642 -0.321 44 1H2 G 4 1H2 G 4 12.393 1.861 -2.507 45 2H2 G 4 2H2 G 4 13.880 2.748 -2.253 46 1H5* C 5 1H5* C 5 7.092 3.565 -4.406 47 2H5* C 5 2H5* C 5 7.481 2.281 -5.565 48 H4* C 5 H4* C 5 8.649 4.165 -6.290 49 H3* C 5 H3* C 5 10.103 1.955 -5.858 50 H2* C 5 1H2* C 5 10.758 2.497 -3.579 51 2HO* C 5 2HO* C 5 12.592 3.129 -5.543 52 H1* C 5 H1* C 5 11.270 5.358 -4.597 53 1H4 C 5 1H4 C 5 10.712 5.824 1.972 54 2H4 C 5 2H4 C 5 12.180 6.656 1.505 55 H5 C 5 H5 C 5 9.325 4.639 0.376 56 H6 C 5 H6 C 5 9.100 3.962 -1.960 57 1H5* G 6 1H5* G 6 9.376 5.854 -9.147 58 2H5* G 6 2H5* G 6 9.604 5.723 -7.391 59 H4* G 6 H4* G 6 6.961 5.384 -8.799 60 H3* G 6 H3* G 6 8.161 7.883 -7.626 61 H2* G 6 1H2* G 6 6.026 8.462 -6.736 62 2HO* G 6 2HO* G 6 5.200 7.269 -8.951 63 H1* G 6 H1* G 6 5.228 5.766 -6.172 64 H8 G 6 H8 G 6 4.631 6.469 -3.814 65 H1 G 6 H1 G 6 10.600 8.537 -2.727 66 1H2 G 6 1H2 G 6 11.106 7.917 -6.093 67 2H2 G 6 2H2 G 6 11.780 8.476 -4.576 68 H3T G 6 H3T G 6 7.962 8.326 -9.602 69 1H5* C 7 1H5* C 7 16.263 12.481 0.620 70 2H5* C 7 2H5* C 7 16.405 14.142 0.022 71 H4* C 7 H4* C 7 17.248 12.797 -1.674 72 H3* C 7 H3* C 7 15.347 14.461 -2.428 73 H2* C 7 1H2* C 7 13.403 13.103 -2.047 74 2HO* C 7 2HO* C 7 14.440 12.713 -4.631 75 H1* C 7 H1* C 7 14.691 10.592 -3.180 76 1H4 C 7 1H4 C 7 10.632 8.970 1.778 77 2H4 C 7 2H4 C 7 9.863 8.400 0.312 78 H5 C 7 H5 C 7 12.683 10.256 1.765 79 H6 C 7 H6 C 7 14.406 11.244 0.350 80 H5T C 7 H5T C 7 14.372 14.044 0.771 81 1H5* G 8 1H5* G 8 19.113 11.502 -4.332 82 2H5* G 8 2H5* G 8 17.581 11.381 -3.455 83 H4* G 8 H4* G 8 20.294 11.483 -2.141 84 H3* G 8 H3* G 8 18.687 9.061 -2.973 85 H2* G 8 1H2* G 8 19.271 8.035 -0.919 86 2HO* G 8 2HO* G 8 21.574 9.213 -1.451 87 H1* G 8 H1* G 8 19.602 10.568 0.513 88 H8 G 8 H8 G 8 18.285 10.055 2.566 89 H1 G 8 H1 G 8 13.681 7.107 -0.786 90 1H2 G 8 1H2 G 8 15.622 7.908 -3.538 91 2H2 G 8 2H2 G 8 14.161 7.153 -2.936 92 1H5* C 9 1H5* C 9 20.831 6.082 -5.542 93 2H5* C 9 2H5* C 9 19.677 6.811 -6.671 94 H4* C 9 H4* C 9 19.148 4.488 -5.978 95 H3* C 9 H3* C 9 17.306 6.607 -6.280 96 H2* C 9 1H2* C 9 16.526 6.641 -4.045 97 2HO* C 9 2HO* C 9 15.386 4.544 -5.444 98 H1* C 9 H1* C 9 17.376 3.696 -3.760 99 1H4 C 9 1H4 C 9 17.344 6.229 2.340 100 2H4 C 9 2H4 C 9 15.962 5.157 2.256 101 H5 C 9 H5 C 9 18.721 6.728 0.403 102 H6 C 9 H6 C 9 19.003 6.356 -1.992 103 1H5* G 10 1H5* G 10 18.827 1.943 -8.475 104 2H5* G 10 2H5* G 10 18.289 2.387 -6.844 105 H4* G 10 H4* G 10 21.099 2.435 -7.931 106 H3* G 10 H3* G 10 19.711 0.655 -5.940 107 H2* G 10 1H2* G 10 21.649 0.639 -4.594 108 2HO* G 10 2HO* G 10 22.802 0.604 -6.998 109 H1* G 10 H1* G 10 22.607 3.252 -5.454 110 H8 G 10 H8 G 10 23.102 4.162 -3.176 111 H1 G 10 H1 G 10 17.589 1.929 -0.785 112 1H2 G 10 1H2 G 10 17.096 0.611 -3.941 113 2H2 G 10 2H2 G 10 16.487 0.812 -2.313 114 1H5* C 11 1H5* C 11 20.561 -3.632 -6.354 115 2H5* C 11 2H5* C 11 19.127 -3.687 -7.397 116 H4* C 11 H4* C 11 18.563 -4.869 -5.464 117 H3* C 11 H3* C 11 16.935 -2.851 -6.153 118 H2* C 11 1H2* C 11 17.984 -1.168 -4.742 119 2HO* C 11 2HO* C 11 15.734 -2.382 -3.713 120 H1* C 11 H1* C 11 18.069 -3.333 -2.553 121 1H4 C 11 1H4 C 11 22.437 1.267 -0.707 122 2H4 C 11 2H4 C 11 21.389 0.957 0.661 123 H5 C 11 H5 C 11 22.106 0.218 -2.865 124 H6 C 11 H6 C 11 20.674 -1.281 -4.160 125 1H5* G 12 1H5* G 12 17.002 -7.712 -4.495 126 2H5* G 12 2H5* G 12 17.823 -6.206 -4.037 127 H4* G 12 H4* G 12 18.747 -8.046 -6.236 128 H3* G 12 H3* G 12 19.538 -8.048 -3.330 129 H2* G 12 1H2* G 12 21.800 -8.457 -3.984 130 2HO* G 12 2HO* G 12 20.632 -9.798 -5.921 131 H1* G 12 H1* G 12 21.703 -6.808 -6.316 132 H8 G 12 H8 G 12 23.759 -5.581 -5.480 133 H1 G 12 H1 G 12 20.761 -3.879 -0.076 134 1H2 G 12 1H2 G 12 18.229 -5.963 -1.185 135 2H2 G 12 2H2 G 12 18.809 -4.879 0.064 136 H3T G 12 H3T G 12 18.320 -9.725 -3.949 Start of MODEL 7 1 1H5* C 1 1H5* C 1 19.930 -1.604 7.196 2 2H5* C 1 2H5* C 1 20.080 -2.943 8.345 3 H4* C 1 H4* C 1 18.000 -3.207 7.338 4 H3* C 1 H3* C 1 19.559 -5.332 7.239 5 H2* C 1 1H2* C 1 20.721 -4.936 5.177 6 2HO* C 1 2HO* C 1 18.327 -6.343 4.761 7 H1* C 1 H1* C 1 18.239 -3.959 3.722 8 1H4 C 1 1H4 C 1 23.517 -0.606 1.588 9 2H4 C 1 2H4 C 1 23.059 -1.677 0.280 10 H5 C 1 H5 C 1 22.428 -0.644 3.751 11 H6 C 1 H6 C 1 20.688 -1.709 5.088 12 H5T C 1 H5T C 1 21.407 -4.014 6.886 13 1H5* G 2 1H5* G 2 14.608 -3.891 6.804 14 2H5* G 2 2H5* G 2 16.160 -3.668 5.984 15 H4* G 2 H4* G 2 15.031 -1.820 8.085 16 H3* G 2 H3* G 2 14.850 -1.628 5.073 17 H2* G 2 1H2* G 2 15.230 0.706 5.264 18 2HO* G 2 2HO* G 2 13.682 0.387 7.372 19 H1* G 2 H1* G 2 16.769 0.477 7.738 20 H8 G 2 H8 G 2 18.724 1.892 7.116 21 H1 G 2 H1 G 2 19.021 -0.621 1.225 22 1H2 G 2 1H2 G 2 16.290 -2.494 2.239 23 2H2 G 2 2H2 G 2 17.425 -2.119 0.959 24 1H5* C 3 1H5* C 3 10.685 -1.139 3.409 25 2H5* C 3 2H5* C 3 11.099 -2.800 2.950 26 H4* C 3 H4* C 3 11.053 -1.174 1.078 27 H3* C 3 H3* C 3 12.960 -3.218 1.479 28 H2* C 3 1H2* C 3 14.871 -1.831 1.627 29 2HO* C 3 2HO* C 3 14.068 -2.068 -1.019 30 H1* C 3 H1* C 3 13.383 0.338 0.031 31 1H4 C 3 1H4 C 3 17.935 3.455 3.662 32 2H4 C 3 2H4 C 3 18.500 3.535 2.007 33 H5 C 3 H5 C 3 15.966 2.191 4.304 34 H6 C 3 H6 C 3 14.205 0.698 3.507 35 1H5* G 4 1H5* G 4 8.931 -1.726 -1.749 36 2H5* G 4 2H5* G 4 10.449 -0.949 -1.260 37 H4* G 4 H4* G 4 7.769 -0.771 0.104 38 H3* G 4 H3* G 4 9.388 1.211 -1.481 39 H2* G 4 1H2* G 4 8.752 2.923 0.016 40 2HO* G 4 2HO* G 4 6.477 1.511 -0.003 41 H1* G 4 H1* G 4 8.435 1.171 2.318 42 H8 G 4 H8 G 4 9.768 2.514 3.950 43 H1 G 4 H1 G 4 14.401 3.643 -0.335 44 1H2 G 4 1H2 G 4 12.411 1.851 -2.519 45 2H2 G 4 2H2 G 4 13.896 2.742 -2.267 46 1H5* C 5 1H5* C 5 7.099 3.593 -4.338 47 2H5* C 5 2H5* C 5 7.420 2.317 -5.527 48 H4* C 5 H4* C 5 8.617 4.156 -6.283 49 H3* C 5 H3* C 5 10.060 1.945 -5.864 50 H2* C 5 1H2* C 5 10.727 2.479 -3.583 51 2HO* C 5 2HO* C 5 12.565 3.087 -5.554 52 H1* C 5 H1* C 5 11.284 5.332 -4.599 53 1H4 C 5 1H4 C 5 10.697 5.809 1.964 54 2H4 C 5 2H4 C 5 12.176 6.624 1.504 55 H5 C 5 H5 C 5 9.306 4.635 0.364 56 H6 C 5 H6 C 5 9.086 3.955 -1.972 57 1H5* G 6 1H5* G 6 9.368 5.883 -9.091 58 2H5* G 6 2H5* G 6 9.571 5.714 -7.336 59 H4* G 6 H4* G 6 6.942 5.423 -8.776 60 H3* G 6 H3* G 6 8.157 7.902 -7.578 61 H2* G 6 1H2* G 6 6.022 8.499 -6.698 62 2HO* G 6 2HO* G 6 5.192 7.350 -8.922 63 H1* G 6 H1* G 6 5.197 5.812 -6.139 64 H8 G 6 H8 G 6 4.626 6.497 -3.770 65 H1 G 6 H1 G 6 10.614 8.530 -2.718 66 1H2 G 6 1H2 G 6 11.088 7.929 -6.092 67 2H2 G 6 2H2 G 6 11.780 8.476 -4.579 68 H3T G 6 H3T G 6 8.005 8.282 -9.588 69 1H5* C 7 1H5* C 7 16.255 12.458 0.624 70 2H5* C 7 2H5* C 7 16.407 14.120 0.034 71 H4* C 7 H4* C 7 17.248 12.789 -1.670 72 H3* C 7 H3* C 7 15.344 14.444 -2.426 73 H2* C 7 1H2* C 7 13.403 13.082 -2.029 74 2HO* C 7 2HO* C 7 14.423 12.721 -4.619 75 H1* C 7 H1* C 7 14.689 10.575 -3.173 76 1H4 C 7 1H4 C 7 10.672 8.935 1.812 77 2H4 C 7 2H4 C 7 9.883 8.380 0.349 78 H5 C 7 H5 C 7 12.729 10.210 1.786 79 H6 C 7 H6 C 7 14.441 11.201 0.360 80 H5T C 7 H5T C 7 14.370 14.024 0.779 81 1H5* G 8 1H5* G 8 19.079 11.461 -4.332 82 2H5* G 8 2H5* G 8 17.557 11.366 -3.434 83 H4* G 8 H4* G 8 20.273 11.484 -2.133 84 H3* G 8 H3* G 8 18.718 9.040 -2.989 85 H2* G 8 1H2* G 8 19.270 8.017 -0.927 86 2HO* G 8 2HO* G 8 21.577 9.202 -1.429 87 H1* G 8 H1* G 8 19.585 10.551 0.513 88 H8 G 8 H8 G 8 18.272 10.017 2.565 89 H1 G 8 H1 G 8 13.682 7.067 -0.803 90 1H2 G 8 1H2 G 8 15.624 7.882 -3.550 91 2H2 G 8 2H2 G 8 14.166 7.120 -2.952 92 1H5* C 9 1H5* C 9 20.877 6.103 -5.554 93 2H5* C 9 2H5* C 9 19.736 6.851 -6.685 94 H4* C 9 H4* C 9 19.186 4.526 -6.018 95 H3* C 9 H3* C 9 17.363 6.643 -6.344 96 H2* C 9 1H2* C 9 16.643 6.741 -4.082 97 2HO* C 9 2HO* C 9 15.233 4.616 -3.821 98 H1* C 9 H1* C 9 17.362 3.753 -3.824 99 1H4 C 9 1H4 C 9 17.366 6.177 2.320 100 2H4 C 9 2H4 C 9 15.954 5.148 2.208 101 H5 C 9 H5 C 9 18.769 6.669 0.401 102 H6 C 9 H6 C 9 19.056 6.334 -1.999 103 1H5* G 10 1H5* G 10 18.839 1.934 -8.484 104 2H5* G 10 2H5* G 10 18.296 2.385 -6.857 105 H4* G 10 H4* G 10 21.110 2.417 -7.931 106 H3* G 10 H3* G 10 19.703 0.654 -5.940 107 H2* G 10 1H2* G 10 21.632 0.633 -4.583 108 2HO* G 10 2HO* G 10 22.801 0.583 -6.981 109 H1* G 10 H1* G 10 22.613 3.235 -5.449 110 H8 G 10 H8 G 10 23.101 4.151 -3.170 111 H1 G 10 H1 G 10 17.571 1.935 -0.802 112 1H2 G 10 1H2 G 10 17.084 0.623 -3.962 113 2H2 G 10 2H2 G 10 16.471 0.822 -2.334 114 1H5* C 11 1H5* C 11 20.552 -3.619 -6.343 115 2H5* C 11 2H5* C 11 19.124 -3.695 -7.391 116 H4* C 11 H4* C 11 18.555 -4.873 -5.460 117 H3* C 11 H3* C 11 16.921 -2.860 -6.144 118 H2* C 11 1H2* C 11 17.972 -1.175 -4.732 119 2HO* C 11 2HO* C 11 15.715 -2.382 -3.719 120 H1* C 11 H1* C 11 18.056 -3.348 -2.547 121 1H4 C 11 1H4 C 11 22.414 1.256 -0.685 122 2H4 C 11 2H4 C 11 21.368 0.937 0.683 123 H5 C 11 H5 C 11 22.084 0.217 -2.847 124 H6 C 11 H6 C 11 20.656 -1.280 -4.147 125 1H5* G 12 1H5* G 12 17.017 -7.725 -4.493 126 2H5* G 12 2H5* G 12 17.831 -6.219 -4.026 127 H4* G 12 H4* G 12 18.765 -8.047 -6.231 128 H3* G 12 H3* G 12 19.551 -8.051 -3.325 129 H2* G 12 1H2* G 12 21.818 -8.439 -3.970 130 2HO* G 12 2HO* G 12 20.671 -9.794 -5.907 131 H1* G 12 H1* G 12 21.717 -6.794 -6.304 132 H8 G 12 H8 G 12 23.763 -5.554 -5.463 133 H1 G 12 H1 G 12 20.736 -3.858 -0.073 134 1H2 G 12 1H2 G 12 18.221 -5.957 -1.186 135 2H2 G 12 2H2 G 12 18.789 -4.866 0.061 136 H3T G 12 H3T G 12 18.355 -9.740 -3.939 Start of MODEL 8 1 1H5* C 1 1H5* C 1 19.993 -2.043 7.170 2 2H5* C 1 2H5* C 1 20.101 -3.404 8.298 3 H4* C 1 H4* C 1 17.999 -3.578 7.329 4 H3* C 1 H3* C 1 19.462 -5.759 7.144 5 H2* C 1 1H2* C 1 20.627 -5.323 5.086 6 2HO* C 1 2HO* C 1 18.261 -6.737 4.730 7 H1* C 1 H1* C 1 18.148 -4.251 3.689 8 1H4 C 1 1H4 C 1 23.458 -0.968 1.535 9 2H4 C 1 2H4 C 1 22.945 -1.987 0.207 10 H5 C 1 H5 C 1 22.420 -1.044 3.720 11 H6 C 1 H6 C 1 20.683 -2.105 5.064 12 H5T C 1 H5T C 1 21.980 -3.455 7.184 13 1H5* G 2 1H5* G 2 14.599 -4.102 6.700 14 2H5* G 2 2H5* G 2 16.189 -3.914 5.950 15 H4* G 2 H4* G 2 15.117 -2.107 8.113 16 H3* G 2 H3* G 2 14.854 -1.802 5.117 17 H2* G 2 1H2* G 2 15.384 0.492 5.346 18 2HO* G 2 2HO* G 2 13.831 0.232 7.447 19 H1* G 2 H1* G 2 16.922 0.132 7.816 20 H8 G 2 H8 G 2 18.911 1.517 7.223 21 H1 G 2 H1 G 2 19.106 -0.827 1.259 22 1H2 G 2 1H2 G 2 16.339 -2.664 2.232 23 2H2 G 2 2H2 G 2 17.479 -2.276 0.962 24 1H5* C 3 1H5* C 3 10.758 -1.230 3.488 25 2H5* C 3 2H5* C 3 11.159 -2.886 3.002 26 H4* C 3 H4* C 3 11.168 -1.231 1.161 27 H3* C 3 H3* C 3 12.999 -3.316 1.513 28 H2* C 3 1H2* C 3 14.891 -1.934 1.970 29 2HO* C 3 2HO* C 3 14.459 -2.323 -0.709 30 H1* C 3 H1* C 3 13.574 0.211 0.182 31 1H4 C 3 1H4 C 3 18.051 3.364 3.893 32 2H4 C 3 2H4 C 3 18.635 3.431 2.245 33 H5 C 3 H5 C 3 16.052 2.116 4.512 34 H6 C 3 H6 C 3 14.293 0.635 3.689 35 1H5* G 4 1H5* G 4 9.151 -1.602 -1.864 36 2H5* G 4 2H5* G 4 10.659 -0.840 -1.324 37 H4* G 4 H4* G 4 7.954 -0.710 -0.009 38 H3* G 4 H3* G 4 9.620 1.308 -1.491 39 H2* G 4 1H2* G 4 8.992 2.977 0.050 40 2HO* G 4 2HO* G 4 6.692 1.611 -0.053 41 H1* G 4 H1* G 4 8.613 1.178 2.298 42 H8 G 4 H8 G 4 9.978 2.465 3.969 43 H1 G 4 H1 G 4 14.606 3.584 -0.324 44 1H2 G 4 1H2 G 4 12.586 1.855 -2.513 45 2H2 G 4 2H2 G 4 14.087 2.721 -2.255 46 1H5* C 5 1H5* C 5 7.117 3.643 -4.570 47 2H5* C 5 2H5* C 5 7.737 2.390 -5.660 48 H4* C 5 H4* C 5 8.702 4.459 -6.288 49 H3* C 5 H3* C 5 10.314 2.337 -5.920 50 H2* C 5 1H2* C 5 10.906 2.839 -3.616 51 2HO* C 5 2HO* C 5 12.701 4.192 -5.371 52 H1* C 5 H1* C 5 11.179 5.771 -4.519 53 1H4 C 5 1H4 C 5 10.614 5.913 2.063 54 2H4 C 5 2H4 C 5 12.004 6.884 1.625 55 H5 C 5 H5 C 5 9.315 4.694 0.421 56 H6 C 5 H6 C 5 9.148 4.077 -1.939 57 1H5* G 6 1H5* G 6 9.339 6.124 -9.253 58 2H5* G 6 2H5* G 6 9.515 6.037 -7.489 59 H4* G 6 H4* G 6 6.979 5.392 -8.986 60 H3* G 6 H3* G 6 7.852 8.019 -7.805 61 H2* G 6 1H2* G 6 5.628 8.366 -7.002 62 2HO* G 6 2HO* G 6 5.018 7.039 -9.203 63 H1* G 6 H1* G 6 5.145 5.629 -6.348 64 H8 G 6 H8 G 6 4.471 6.399 -4.024 65 H1 G 6 H1 G 6 10.274 8.926 -3.004 66 1H2 G 6 1H2 G 6 10.830 8.228 -6.346 67 2H2 G 6 2H2 G 6 11.462 8.887 -4.850 68 H3T G 6 H3T G 6 7.673 8.402 -9.800 69 1H5* C 7 1H5* C 7 16.123 12.640 0.381 70 2H5* C 7 2H5* C 7 16.331 14.297 -0.210 71 H4* C 7 H4* C 7 17.143 12.913 -1.898 72 H3* C 7 H3* C 7 15.337 14.664 -2.679 73 H2* C 7 1H2* C 7 13.326 13.402 -2.299 74 2HO* C 7 2HO* C 7 14.345 12.845 -4.884 75 H1* C 7 H1* C 7 14.501 10.841 -3.447 76 1H4 C 7 1H4 C 7 10.334 9.355 1.463 77 2H4 C 7 2H4 C 7 9.572 8.794 -0.010 78 H5 C 7 H5 C 7 12.418 10.583 1.475 79 H6 C 7 H6 C 7 14.190 11.514 0.083 80 H5T C 7 H5T C 7 14.285 14.244 0.537 81 1H5* G 8 1H5* G 8 19.201 11.668 -4.444 82 2H5* G 8 2H5* G 8 17.611 11.450 -3.696 83 H4* G 8 H4* G 8 20.250 11.588 -2.238 84 H3* G 8 H3* G 8 18.571 9.189 -3.004 85 H2* G 8 1H2* G 8 19.193 8.211 -0.928 86 2HO* G 8 2HO* G 8 21.479 9.374 -1.485 87 H1* G 8 H1* G 8 19.427 10.768 0.445 88 H8 G 8 H8 G 8 18.037 10.185 2.434 89 H1 G 8 H1 G 8 13.516 7.455 -1.196 90 1H2 G 8 1H2 G 8 15.572 8.314 -3.845 91 2H2 G 8 2H2 G 8 14.076 7.567 -3.317 92 1H5* C 9 1H5* C 9 20.592 6.120 -5.569 93 2H5* C 9 2H5* C 9 19.323 6.774 -6.618 94 H4* C 9 H4* C 9 18.903 4.481 -5.792 95 H3* C 9 H3* C 9 16.999 6.533 -6.010 96 H2* C 9 1H2* C 9 16.565 6.728 -3.674 97 2HO* C 9 2HO* C 9 15.121 4.703 -4.849 98 H1* C 9 H1* C 9 17.346 3.752 -3.433 99 1H4 C 9 1H4 C 9 17.803 6.255 2.671 100 2H4 C 9 2H4 C 9 16.453 5.138 2.681 101 H5 C 9 H5 C 9 19.009 6.811 0.617 102 H6 C 9 H6 C 9 19.102 6.443 -1.798 103 1H5* G 10 1H5* G 10 18.371 1.808 -8.217 104 2H5* G 10 2H5* G 10 17.997 2.228 -6.536 105 H4* G 10 H4* G 10 20.663 2.404 -7.927 106 H3* G 10 H3* G 10 19.569 0.541 -5.845 107 H2* G 10 1H2* G 10 21.560 0.665 -4.598 108 2HO* G 10 2HO* G 10 22.584 0.661 -7.070 109 H1* G 10 H1* G 10 22.373 3.298 -5.541 110 H8 G 10 H8 G 10 22.973 4.222 -3.280 111 H1 G 10 H1 G 10 17.657 1.814 -0.627 112 1H2 G 10 1H2 G 10 17.051 0.504 -3.771 113 2H2 G 10 2H2 G 10 16.511 0.676 -2.114 114 1H5* C 11 1H5* C 11 20.478 -3.708 -6.446 115 2H5* C 11 2H5* C 11 18.896 -3.767 -7.245 116 H4* C 11 H4* C 11 18.726 -4.949 -5.206 117 H3* C 11 H3* C 11 16.902 -3.030 -5.740 118 H2* C 11 1H2* C 11 18.009 -1.277 -4.457 119 2HO* C 11 2HO* C 11 16.317 -2.750 -2.685 120 H1* C 11 H1* C 11 18.481 -3.471 -2.341 121 1H4 C 11 1H4 C 11 22.654 1.377 -0.704 122 2H4 C 11 2H4 C 11 21.693 1.002 0.713 123 H5 C 11 H5 C 11 22.253 0.325 -2.860 124 H6 C 11 H6 C 11 20.828 -1.245 -4.080 125 1H5* G 12 1H5* G 12 17.241 -7.920 -4.232 126 2H5* G 12 2H5* G 12 18.105 -6.423 -3.833 127 H4* G 12 H4* G 12 18.731 -8.184 -6.197 128 H3* G 12 H3* G 12 19.877 -8.265 -3.421 129 H2* G 12 1H2* G 12 22.069 -8.554 -4.329 130 2HO* G 12 2HO* G 12 20.932 -8.798 -6.928 131 H1* G 12 H1* G 12 21.725 -6.776 -6.508 132 H8 G 12 H8 G 12 23.782 -5.542 -5.643 133 H1 G 12 H1 G 12 20.800 -4.142 -0.143 134 1H2 G 12 1H2 G 12 18.329 -6.270 -1.299 135 2H2 G 12 2H2 G 12 18.885 -5.215 -0.016 136 H3T G 12 H3T G 12 20.116 -10.398 -5.027 Start of MODEL 9 1 1H5* C 1 1H5* C 1 19.991 -2.107 7.138 2 2H5* C 1 2H5* C 1 20.038 -3.377 8.372 3 H4* C 1 H4* C 1 17.964 -3.609 7.375 4 H3* C 1 H3* C 1 19.396 -5.814 7.326 5 H2* C 1 1H2* C 1 20.617 -5.472 5.278 6 2HO* C 1 2HO* C 1 18.245 -6.891 4.920 7 H1* C 1 H1* C 1 18.157 -4.481 3.784 8 1H4 C 1 1H4 C 1 23.489 -1.322 1.500 9 2H4 C 1 2H4 C 1 22.952 -2.373 0.206 10 H5 C 1 H5 C 1 22.469 -1.320 3.693 11 H6 C 1 H6 C 1 20.727 -2.311 5.081 12 H5T C 1 H5T C 1 21.966 -3.375 7.205 13 1H5* G 2 1H5* G 2 14.560 -4.092 6.763 14 2H5* G 2 2H5* G 2 16.151 -3.952 5.999 15 H4* G 2 H4* G 2 15.102 -2.064 8.104 16 H3* G 2 H3* G 2 14.914 -1.817 5.093 17 H2* G 2 1H2* G 2 15.415 0.491 5.327 18 2HO* G 2 2HO* G 2 13.857 0.234 7.416 19 H1* G 2 H1* G 2 16.976 0.134 7.769 20 H8 G 2 H8 G 2 18.931 1.524 7.079 21 H1 G 2 H1 G 2 19.106 -1.142 1.254 22 1H2 G 2 1H2 G 2 16.381 -2.966 2.350 23 2H2 G 2 2H2 G 2 17.507 -2.628 1.051 24 1H5* C 3 1H5* C 3 10.890 -1.329 3.327 25 2H5* C 3 2H5* C 3 11.401 -2.932 2.772 26 H4* C 3 H4* C 3 11.414 -1.172 1.030 27 H3* C 3 H3* C 3 13.343 -3.180 1.364 28 H2* C 3 1H2* C 3 15.128 -1.709 1.958 29 2HO* C 3 2HO* C 3 14.791 -1.897 -0.787 30 H1* C 3 H1* C 3 13.726 0.422 0.218 31 1H4 C 3 1H4 C 3 17.953 3.717 4.094 32 2H4 C 3 2H4 C 3 18.569 3.842 2.459 33 H5 C 3 H5 C 3 16.003 2.352 4.645 34 H6 C 3 H6 C 3 14.338 0.802 3.745 35 1H5* G 4 1H5* G 4 9.451 -1.563 -2.030 36 2H5* G 4 2H5* G 4 10.900 -0.710 -1.462 37 H4* G 4 H4* G 4 8.192 -0.820 -0.149 38 H3* G 4 H3* G 4 9.678 1.350 -1.596 39 H2* G 4 1H2* G 4 9.020 2.936 0.015 40 2HO* G 4 2HO* G 4 6.780 1.493 -0.103 41 H1* G 4 H1* G 4 8.752 1.064 2.221 42 H8 G 4 H8 G 4 10.087 2.352 3.918 43 H1 G 4 H1 G 4 14.577 3.841 -0.410 44 1H2 G 4 1H2 G 4 12.593 2.105 -2.627 45 2H2 G 4 2H2 G 4 14.055 3.032 -2.363 46 1H5* C 5 1H5* C 5 7.102 3.606 -4.598 47 2H5* C 5 2H5* C 5 7.762 2.389 -5.705 48 H4* C 5 H4* C 5 8.679 4.501 -6.280 49 H3* C 5 H3* C 5 10.339 2.409 -5.974 50 H2* C 5 1H2* C 5 10.879 2.855 -3.637 51 2HO* C 5 2HO* C 5 12.689 4.235 -5.350 52 H1* C 5 H1* C 5 11.129 5.807 -4.487 53 1H4 C 5 1H4 C 5 10.563 5.893 2.092 54 2H4 C 5 2H4 C 5 11.967 6.850 1.665 55 H5 C 5 H5 C 5 9.257 4.693 0.436 56 H6 C 5 H6 C 5 9.089 4.105 -1.930 57 1H5* G 6 1H5* G 6 9.327 6.285 -9.177 58 2H5* G 6 2H5* G 6 9.461 6.125 -7.414 59 H4* G 6 H4* G 6 6.985 5.468 -9.001 60 H3* G 6 H3* G 6 7.752 8.073 -7.707 61 H2* G 6 1H2* G 6 5.496 8.330 -6.950 62 2HO* G 6 2HO* G 6 4.976 7.018 -9.184 63 H1* G 6 H1* G 6 5.102 5.585 -6.326 64 H8 G 6 H8 G 6 4.449 6.337 -3.983 65 H1 G 6 H1 G 6 10.248 8.891 -3.019 66 1H2 G 6 1H2 G 6 10.763 8.230 -6.376 67 2H2 G 6 2H2 G 6 11.409 8.881 -4.883 68 H3T G 6 H3T G 6 7.687 8.362 -9.760 69 1H5* C 7 1H5* C 7 15.987 12.702 0.338 70 2H5* C 7 2H5* C 7 16.197 14.358 -0.252 71 H4* C 7 H4* C 7 17.024 13.004 -1.945 72 H3* C 7 H3* C 7 15.171 14.697 -2.738 73 H2* C 7 1H2* C 7 13.194 13.386 -2.337 74 2HO* C 7 2HO* C 7 14.214 12.983 -4.921 75 H1* C 7 H1* C 7 14.430 10.846 -3.467 76 1H4 C 7 1H4 C 7 10.343 9.276 1.481 77 2H4 C 7 2H4 C 7 9.572 8.711 0.014 78 H5 C 7 H5 C 7 12.408 10.541 1.473 79 H6 C 7 H6 C 7 14.143 11.512 0.061 80 H5T C 7 H5T C 7 14.132 14.146 0.591 81 1H5* G 8 1H5* G 8 19.038 11.728 -4.504 82 2H5* G 8 2H5* G 8 17.468 11.534 -3.712 83 H4* G 8 H4* G 8 20.124 11.737 -2.291 84 H3* G 8 H3* G 8 18.540 9.273 -3.051 85 H2* G 8 1H2* G 8 19.174 8.330 -0.964 86 2HO* G 8 2HO* G 8 21.434 9.484 -1.520 87 H1* G 8 H1* G 8 19.332 10.902 0.395 88 H8 G 8 H8 G 8 17.979 10.266 2.393 89 H1 G 8 H1 G 8 13.507 7.424 -1.213 90 1H2 G 8 1H2 G 8 15.513 8.357 -3.874 91 2H2 G 8 2H2 G 8 14.044 7.565 -3.337 92 1H5* C 9 1H5* C 9 20.615 6.267 -5.594 93 2H5* C 9 2H5* C 9 19.337 6.892 -6.652 94 H4* C 9 H4* C 9 18.953 4.598 -5.807 95 H3* C 9 H3* C 9 17.016 6.608 -6.066 96 H2* C 9 1H2* C 9 16.603 6.858 -3.728 97 2HO* C 9 2HO* C 9 15.165 4.781 -4.842 98 H1* C 9 H1* C 9 17.380 3.885 -3.440 99 1H4 C 9 1H4 C 9 17.784 6.475 2.632 100 2H4 C 9 2H4 C 9 16.422 5.373 2.643 101 H5 C 9 H5 C 9 19.030 6.976 0.587 102 H6 C 9 H6 C 9 19.145 6.573 -1.822 103 1H5* G 10 1H5* G 10 18.383 1.802 -8.150 104 2H5* G 10 2H5* G 10 18.000 2.266 -6.481 105 H4* G 10 H4* G 10 20.677 2.374 -7.856 106 H3* G 10 H3* G 10 19.541 0.592 -5.728 107 H2* G 10 1H2* G 10 21.542 0.705 -4.490 108 2HO* G 10 2HO* G 10 22.563 0.648 -6.956 109 H1* G 10 H1* G 10 22.372 3.318 -5.439 110 H8 G 10 H8 G 10 22.870 4.333 -3.194 111 H1 G 10 H1 G 10 17.567 1.811 -0.623 112 1H2 G 10 1H2 G 10 17.074 0.428 -3.741 113 2H2 G 10 2H2 G 10 16.497 0.614 -2.098 114 1H5* C 11 1H5* C 11 20.433 -3.825 -6.383 115 2H5* C 11 2H5* C 11 18.839 -3.756 -7.156 116 H4* C 11 H4* C 11 18.673 -5.020 -5.143 117 H3* C 11 H3* C 11 16.875 -3.081 -5.647 118 H2* C 11 1H2* C 11 18.029 -1.340 -4.388 119 2HO* C 11 2HO* C 11 16.254 -2.771 -2.676 120 H1* C 11 H1* C 11 18.463 -3.511 -2.241 121 1H4 C 11 1H4 C 11 22.743 1.290 -0.747 122 2H4 C 11 2H4 C 11 21.818 0.929 0.697 123 H5 C 11 H5 C 11 22.283 0.225 -2.881 124 H6 C 11 H6 C 11 20.806 -1.326 -4.061 125 1H5* G 12 1H5* G 12 17.106 -8.012 -4.262 126 2H5* G 12 2H5* G 12 18.017 -6.561 -3.800 127 H4* G 12 H4* G 12 18.566 -8.224 -6.254 128 H3* G 12 H3* G 12 19.763 -8.451 -3.507 129 H2* G 12 1H2* G 12 21.924 -8.763 -4.481 130 2HO* G 12 2HO* G 12 20.551 -9.961 -6.352 131 H1* G 12 H1* G 12 21.569 -6.889 -6.581 132 H8 G 12 H8 G 12 23.699 -5.768 -5.735 133 H1 G 12 H1 G 12 20.936 -4.476 -0.095 134 1H2 G 12 1H2 G 12 18.359 -6.475 -1.250 135 2H2 G 12 2H2 G 12 18.990 -5.486 0.053 136 H3T G 12 H3T G 12 18.347 -10.015 -4.408 Start of MODEL 10 1 1H5* C 1 1H5* C 1 19.975 -2.119 7.142 2 2H5* C 1 2H5* C 1 20.039 -3.405 8.360 3 H4* C 1 H4* C 1 17.957 -3.618 7.351 4 H3* C 1 H3* C 1 19.392 -5.826 7.337 5 H2* C 1 1H2* C 1 20.616 -5.518 5.286 6 2HO* C 1 2HO* C 1 18.182 -6.863 4.862 7 H1* C 1 H1* C 1 18.165 -4.528 3.777 8 1H4 C 1 1H4 C 1 23.530 -1.444 1.467 9 2H4 C 1 2H4 C 1 22.970 -2.489 0.178 10 H5 C 1 H5 C 1 22.520 -1.422 3.664 11 H6 C 1 H6 C 1 20.771 -2.384 5.062 12 H5T C 1 H5T C 1 21.334 -4.610 6.999 13 1H5* G 2 1H5* G 2 14.530 -4.096 6.873 14 2H5* G 2 2H5* G 2 16.074 -3.953 6.017 15 H4* G 2 H4* G 2 15.051 -2.049 8.124 16 H3* G 2 H3* G 2 14.974 -1.811 5.107 17 H2* G 2 1H2* G 2 15.423 0.509 5.375 18 2HO* G 2 2HO* G 2 13.826 0.214 7.427 19 H1* G 2 H1* G 2 16.954 0.144 7.828 20 H8 G 2 H8 G 2 18.930 1.514 7.154 21 H1 G 2 H1 G 2 19.137 -1.170 1.339 22 1H2 G 2 1H2 G 2 16.386 -2.969 2.417 23 2H2 G 2 2H2 G 2 17.526 -2.644 1.126 24 1H5* C 3 1H5* C 3 10.938 -1.294 3.275 25 2H5* C 3 2H5* C 3 11.444 -2.890 2.693 26 H4* C 3 H4* C 3 11.464 -1.106 0.979 27 H3* C 3 H3* C 3 13.397 -3.117 1.296 28 H2* C 3 1H2* C 3 15.187 -1.653 1.886 29 2HO* C 3 2HO* C 3 14.835 -1.837 -0.844 30 H1* C 3 H1* C 3 13.772 0.507 0.196 31 1H4 C 3 1H4 C 3 17.986 3.742 4.135 32 2H4 C 3 2H4 C 3 18.594 3.908 2.499 33 H5 C 3 H5 C 3 16.050 2.346 4.661 34 H6 C 3 H6 C 3 14.393 0.807 3.732 35 1H5* G 4 1H5* G 4 9.425 -1.564 -2.024 36 2H5* G 4 2H5* G 4 10.865 -0.672 -1.496 37 H4* G 4 H4* G 4 8.198 -0.858 -0.107 38 H3* G 4 H3* G 4 9.568 1.344 -1.610 39 H2* G 4 1H2* G 4 9.009 2.919 0.041 40 2HO* G 4 2HO* G 4 6.743 1.503 -0.018 41 H1* G 4 H1* G 4 8.742 1.012 2.237 42 H8 G 4 H8 G 4 10.018 2.342 3.949 43 H1 G 4 H1 G 4 14.575 3.875 -0.291 44 1H2 G 4 1H2 G 4 12.637 2.114 -2.549 45 2H2 G 4 2H2 G 4 14.089 3.049 -2.264 46 1H5* C 5 1H5* C 5 6.974 3.490 -4.563 47 2H5* C 5 2H5* C 5 7.719 2.333 -5.681 48 H4* C 5 H4* C 5 8.554 4.521 -6.136 49 H3* C 5 H3* C 5 10.268 2.441 -5.890 50 H2* C 5 1H2* C 5 10.846 2.865 -3.565 51 2HO* C 5 2HO* C 5 12.556 4.416 -5.246 52 H1* C 5 H1* C 5 10.915 5.842 -4.369 53 1H4 C 5 1H4 C 5 10.557 5.863 2.223 54 2H4 C 5 2H4 C 5 11.961 6.809 1.770 55 H5 C 5 H5 C 5 9.207 4.680 0.588 56 H6 C 5 H6 C 5 8.984 4.108 -1.779 57 1H5* G 6 1H5* G 6 9.044 6.172 -9.214 58 2H5* G 6 2H5* G 6 9.224 6.142 -7.448 59 H4* G 6 H4* G 6 6.756 5.290 -8.956 60 H3* G 6 H3* G 6 7.444 7.959 -7.767 61 H2* G 6 1H2* G 6 5.227 8.155 -6.898 62 2HO* G 6 2HO* G 6 4.657 6.733 -9.072 63 H1* G 6 H1* G 6 4.938 5.424 -6.189 64 H8 G 6 H8 G 6 4.365 6.262 -3.851 65 H1 G 6 H1 G 6 10.204 8.832 -3.196 66 1H2 G 6 1H2 G 6 10.582 8.076 -6.548 67 2H2 G 6 2H2 G 6 11.290 8.763 -5.100 68 H3T G 6 H3T G 6 6.609 8.655 -9.550 69 1H5* C 7 1H5* C 7 15.899 12.727 0.257 70 2H5* C 7 2H5* C 7 16.086 14.381 -0.350 71 H4* C 7 H4* C 7 17.027 13.032 -1.983 72 H3* C 7 H3* C 7 15.157 14.653 -2.880 73 H2* C 7 1H2* C 7 13.204 13.288 -2.554 74 2HO* C 7 2HO* C 7 14.360 12.906 -5.074 75 H1* C 7 H1* C 7 14.557 10.764 -3.576 76 1H4 C 7 1H4 C 7 10.367 9.155 1.268 77 2H4 C 7 2H4 C 7 9.642 8.568 -0.212 78 H5 C 7 H5 C 7 12.401 10.462 1.300 79 H6 C 7 H6 C 7 14.150 11.457 -0.074 80 H5T C 7 H5T C 7 13.937 14.393 -0.942 81 1H5* G 8 1H5* G 8 19.029 11.666 -4.491 82 2H5* G 8 2H5* G 8 17.462 11.571 -3.674 83 H4* G 8 H4* G 8 20.099 11.784 -2.230 84 H3* G 8 H3* G 8 18.637 9.280 -3.081 85 H2* G 8 1H2* G 8 19.098 8.342 -0.960 86 2HO* G 8 2HO* G 8 21.412 9.482 -1.391 87 H1* G 8 H1* G 8 19.299 10.935 0.399 88 H8 G 8 H8 G 8 17.929 10.410 2.415 89 H1 G 8 H1 G 8 13.516 7.311 -1.048 90 1H2 G 8 1H2 G 8 15.529 8.103 -3.748 91 2H2 G 8 2H2 G 8 14.066 7.331 -3.174 92 1H5* C 9 1H5* C 9 20.895 6.299 -5.492 93 2H5* C 9 2H5* C 9 19.718 6.989 -6.622 94 H4* C 9 H4* C 9 19.220 4.679 -5.895 95 H3* C 9 H3* C 9 17.353 6.737 -6.223 96 H2* C 9 1H2* C 9 16.772 6.938 -3.917 97 2HO* C 9 2HO* C 9 15.346 5.006 -5.227 98 H1* C 9 H1* C 9 17.451 3.940 -3.635 99 1H4 C 9 1H4 C 9 17.642 6.412 2.493 100 2H4 C 9 2H4 C 9 16.277 5.317 2.440 101 H5 C 9 H5 C 9 18.951 6.955 0.510 102 H6 C 9 H6 C 9 19.161 6.600 -1.899 103 1H5* G 10 1H5* G 10 18.744 1.917 -8.239 104 2H5* G 10 2H5* G 10 18.249 2.404 -6.607 105 H4* G 10 H4* G 10 21.026 2.405 -7.769 106 H3* G 10 H3* G 10 19.670 0.714 -5.684 107 H2* G 10 1H2* G 10 21.641 0.713 -4.389 108 2HO* G 10 2HO* G 10 22.740 0.675 -6.839 109 H1* G 10 H1* G 10 22.590 3.301 -5.294 110 H8 G 10 H8 G 10 23.029 4.306 -3.037 111 H1 G 10 H1 G 10 17.564 1.942 -0.657 112 1H2 G 10 1H2 G 10 17.134 0.579 -3.787 113 2H2 G 10 2H2 G 10 16.509 0.784 -2.164 114 1H5* C 11 1H5* C 11 20.443 -3.766 -6.322 115 2H5* C 11 2H5* C 11 18.868 -3.657 -7.129 116 H4* C 11 H4* C 11 18.632 -4.939 -5.136 117 H3* C 11 H3* C 11 16.894 -2.945 -5.657 118 H2* C 11 1H2* C 11 18.043 -1.253 -4.337 119 2HO* C 11 2HO* C 11 16.229 -2.688 -2.666 120 H1* C 11 H1* C 11 18.400 -3.464 -2.218 121 1H4 C 11 1H4 C 11 22.720 1.265 -0.600 122 2H4 C 11 2H4 C 11 21.790 0.872 0.832 123 H5 C 11 H5 C 11 22.264 0.251 -2.758 124 H6 C 11 H6 C 11 20.780 -1.260 -3.981 125 1H5* G 12 1H5* G 12 16.938 -7.888 -4.348 126 2H5* G 12 2H5* G 12 17.894 -6.471 -3.873 127 H4* G 12 H4* G 12 18.410 -8.141 -6.328 128 H3* G 12 H3* G 12 19.568 -8.427 -3.569 129 H2* G 12 1H2* G 12 21.724 -8.820 -4.528 130 2HO* G 12 2HO* G 12 20.558 -8.852 -7.123 131 H1* G 12 H1* G 12 21.457 -6.923 -6.621 132 H8 G 12 H8 G 12 23.618 -5.880 -5.769 133 H1 G 12 H1 G 12 20.907 -4.532 -0.117 134 1H2 G 12 1H2 G 12 18.260 -6.432 -1.278 135 2H2 G 12 2H2 G 12 18.929 -5.474 0.028 136 H3T G 12 H3T G 12 19.588 -10.464 -5.362 Start of MODEL 11 1 1H5* C 1 1H5* C 1 20.009 -2.017 7.104 2 2H5* C 1 2H5* C 1 20.172 -3.339 8.271 3 H4* C 1 H4* C 1 18.064 -3.574 7.276 4 H3* C 1 H3* C 1 19.567 -5.737 7.296 5 H2* C 1 1H2* C 1 20.775 -5.410 5.235 6 2HO* C 1 2HO* C 1 18.565 -7.025 5.035 7 H1* C 1 H1* C 1 18.260 -4.550 3.742 8 1H4 C 1 1H4 C 1 23.472 -1.378 1.203 9 2H4 C 1 2H4 C 1 22.905 -2.474 -0.039 10 H5 C 1 H5 C 1 22.521 -1.326 3.430 11 H6 C 1 H6 C 1 20.837 -2.299 4.901 12 H5T C 1 H5T C 1 21.553 -4.381 6.919 13 1H5* G 2 1H5* G 2 14.620 -4.139 6.984 14 2H5* G 2 2H5* G 2 16.088 -3.965 6.009 15 H4* G 2 H4* G 2 15.110 -2.066 8.144 16 H3* G 2 H3* G 2 15.033 -1.842 5.124 17 H2* G 2 1H2* G 2 15.416 0.491 5.397 18 2HO* G 2 2HO* G 2 13.809 0.194 7.402 19 H1* G 2 H1* G 2 16.977 0.158 7.831 20 H8 G 2 H8 G 2 18.929 1.552 7.132 21 H1 G 2 H1 G 2 19.097 -1.137 1.319 22 1H2 G 2 1H2 G 2 16.382 -2.966 2.430 23 2H2 G 2 2H2 G 2 17.504 -2.631 1.126 24 1H5* C 3 1H5* C 3 10.939 -1.370 3.364 25 2H5* C 3 2H5* C 3 11.432 -2.955 2.742 26 H4* C 3 H4* C 3 11.397 -1.148 1.054 27 H3* C 3 H3* C 3 13.345 -3.150 1.287 28 H2* C 3 1H2* C 3 15.139 -1.696 1.873 29 2HO* C 3 2HO* C 3 15.541 -0.530 -0.450 30 H1* C 3 H1* C 3 13.695 0.492 0.246 31 1H4 C 3 1H4 C 3 17.941 3.709 4.153 32 2H4 C 3 2H4 C 3 18.563 3.845 2.521 33 H5 C 3 H5 C 3 15.991 2.333 4.687 34 H6 C 3 H6 C 3 14.330 0.792 3.767 35 1H5* G 4 1H5* G 4 9.436 -1.549 -2.102 36 2H5* G 4 2H5* G 4 10.864 -0.700 -1.481 37 H4* G 4 H4* G 4 8.127 -0.857 -0.234 38 H3* G 4 H3* G 4 9.623 1.350 -1.608 39 H2* G 4 1H2* G 4 8.933 2.902 0.023 40 2HO* G 4 2HO* G 4 6.705 1.447 -0.155 41 H1* G 4 H1* G 4 8.650 1.000 2.195 42 H8 G 4 H8 G 4 9.963 2.287 3.909 43 H1 G 4 H1 G 4 14.513 3.770 -0.356 44 1H2 G 4 1H2 G 4 12.558 2.026 -2.597 45 2H2 G 4 2H2 G 4 14.022 2.947 -2.315 46 1H5* C 5 1H5* C 5 7.120 3.620 -4.675 47 2H5* C 5 2H5* C 5 7.912 2.453 -5.750 48 H4* C 5 H4* C 5 8.761 4.656 -6.165 49 H3* C 5 H3* C 5 10.444 2.562 -5.917 50 H2* C 5 1H2* C 5 10.913 2.907 -3.550 51 2HO* C 5 2HO* C 5 12.880 4.637 -3.931 52 H1* C 5 H1* C 5 11.104 5.898 -4.271 53 1H4 C 5 1H4 C 5 10.459 5.774 2.297 54 2H4 C 5 2H4 C 5 11.885 6.719 1.917 55 H5 C 5 H5 C 5 9.167 4.632 0.581 56 H6 C 5 H6 C 5 9.036 4.118 -1.808 57 1H5* G 6 1H5* G 6 9.427 6.383 -9.167 58 2H5* G 6 2H5* G 6 9.482 6.271 -7.396 59 H4* G 6 H4* G 6 7.131 5.466 -9.105 60 H3* G 6 H3* G 6 7.706 8.099 -7.780 61 H2* G 6 1H2* G 6 5.424 8.247 -7.082 62 2HO* G 6 2HO* G 6 5.005 6.978 -9.337 63 H1* G 6 H1* G 6 5.124 5.496 -6.467 64 H8 G 6 H8 G 6 4.380 6.282 -4.150 65 H1 G 6 H1 G 6 10.138 8.884 -3.056 66 1H2 G 6 1H2 G 6 10.740 8.194 -6.392 67 2H2 G 6 2H2 G 6 11.348 8.865 -4.892 68 H3T G 6 H3T G 6 7.757 7.894 -10.016 69 1H5* C 7 1H5* C 7 15.963 12.715 0.266 70 2H5* C 7 2H5* C 7 16.190 14.373 -0.316 71 H4* C 7 H4* C 7 17.058 13.012 -1.986 72 H3* C 7 H3* C 7 15.243 14.725 -2.825 73 H2* C 7 1H2* C 7 13.245 13.425 -2.483 74 2HO* C 7 2HO* C 7 14.301 13.223 -5.030 75 H1* C 7 H1* C 7 14.499 10.887 -3.598 76 1H4 C 7 1H4 C 7 10.262 9.280 1.208 77 2H4 C 7 2H4 C 7 9.558 8.692 -0.283 78 H5 C 7 H5 C 7 12.299 10.580 1.270 79 H6 C 7 H6 C 7 14.073 11.568 -0.078 80 H5T C 7 H5T C 7 14.034 14.470 -0.856 81 1H5* G 8 1H5* G 8 19.092 11.698 -4.497 82 2H5* G 8 2H5* G 8 17.506 11.547 -3.726 83 H4* G 8 H4* G 8 20.142 11.696 -2.263 84 H3* G 8 H3* G 8 18.522 9.261 -3.046 85 H2* G 8 1H2* G 8 19.101 8.311 -0.947 86 2HO* G 8 2HO* G 8 21.394 9.459 -1.470 87 H1* G 8 H1* G 8 19.305 10.889 0.403 88 H8 G 8 H8 G 8 17.917 10.304 2.396 89 H1 G 8 H1 G 8 13.451 7.472 -1.223 90 1H2 G 8 1H2 G 8 15.492 8.342 -3.871 91 2H2 G 8 2H2 G 8 14.009 7.576 -3.337 92 1H5* C 9 1H5* C 9 20.606 6.222 -5.537 93 2H5* C 9 2H5* C 9 19.347 6.835 -6.623 94 H4* C 9 H4* C 9 18.946 4.554 -5.750 95 H3* C 9 H3* C 9 17.015 6.573 -6.056 96 H2* C 9 1H2* C 9 16.532 6.812 -3.733 97 2HO* C 9 2HO* C 9 15.146 4.731 -4.889 98 H1* C 9 H1* C 9 17.352 3.853 -3.417 99 1H4 C 9 1H4 C 9 17.632 6.463 2.652 100 2H4 C 9 2H4 C 9 16.271 5.358 2.644 101 H5 C 9 H5 C 9 18.908 6.964 0.628 102 H6 C 9 H6 C 9 19.068 6.552 -1.778 103 1H5* G 10 1H5* G 10 18.451 1.782 -8.091 104 2H5* G 10 2H5* G 10 18.051 2.266 -6.432 105 H4* G 10 H4* G 10 20.739 2.373 -7.785 106 H3* G 10 H3* G 10 19.605 0.618 -5.631 107 H2* G 10 1H2* G 10 21.608 0.761 -4.400 108 2HO* G 10 2HO* G 10 22.628 0.704 -6.873 109 H1* G 10 H1* G 10 22.408 3.374 -5.371 110 H8 G 10 H8 G 10 22.903 4.373 -3.113 111 H1 G 10 H1 G 10 17.548 1.903 -0.601 112 1H2 G 10 1H2 G 10 17.069 0.540 -3.732 113 2H2 G 10 2H2 G 10 16.472 0.732 -2.099 114 1H5* C 11 1H5* C 11 20.427 -3.838 -6.288 115 2H5* C 11 2H5* C 11 18.821 -3.721 -7.028 116 H4* C 11 H4* C 11 18.694 -4.985 -4.995 117 H3* C 11 H3* C 11 16.891 -3.054 -5.519 118 H2* C 11 1H2* C 11 18.058 -1.294 -4.298 119 2HO* C 11 2HO* C 11 16.307 -2.683 -2.517 120 H1* C 11 H1* C 11 18.498 -3.434 -2.122 121 1H4 C 11 1H4 C 11 22.784 1.378 -0.687 122 2H4 C 11 2H4 C 11 21.842 1.052 0.755 123 H5 C 11 H5 C 11 22.337 0.269 -2.804 124 H6 C 11 H6 C 11 20.857 -1.295 -3.964 125 1H5* G 12 1H5* G 12 16.984 -7.969 -4.178 126 2H5* G 12 2H5* G 12 17.984 -6.566 -3.756 127 H4* G 12 H4* G 12 18.327 -8.245 -6.237 128 H3* G 12 H3* G 12 19.637 -8.532 -3.552 129 H2* G 12 1H2* G 12 21.749 -8.907 -4.608 130 2HO* G 12 2HO* G 12 20.227 -10.006 -6.456 131 H1* G 12 H1* G 12 21.391 -7.016 -6.687 132 H8 G 12 H8 G 12 23.594 -5.994 -5.882 133 H1 G 12 H1 G 12 20.976 -4.537 -0.212 134 1H2 G 12 1H2 G 12 18.303 -6.444 -1.304 135 2H2 G 12 2H2 G 12 18.994 -5.471 -0.023 136 H3T G 12 H3T G 12 18.415 -10.188 -3.998 Start of MODEL 12 1 1H5* C 1 1H5* C 1 19.930 -1.967 7.146 2 2H5* C 1 2H5* C 1 19.989 -3.230 8.387 3 H4* C 1 H4* C 1 17.924 -3.495 7.373 4 H3* C 1 H3* C 1 19.388 -5.680 7.366 5 H2* C 1 1H2* C 1 20.620 -5.353 5.322 6 2HO* C 1 2HO* C 1 18.234 -6.767 4.922 7 H1* C 1 H1* C 1 18.159 -4.408 3.797 8 1H4 C 1 1H4 C 1 23.481 -1.230 1.512 9 2H4 C 1 2H4 C 1 22.954 -2.295 0.225 10 H5 C 1 H5 C 1 22.450 -1.214 3.702 11 H6 C 1 H6 C 1 20.709 -2.205 5.090 12 H5T C 1 H5T C 1 21.805 -3.726 7.449 13 1H5* G 2 1H5* G 2 14.521 -4.022 6.807 14 2H5* G 2 2H5* G 2 16.093 -3.873 6.005 15 H4* G 2 H4* G 2 15.030 -1.967 8.091 16 H3* G 2 H3* G 2 14.894 -1.757 5.074 17 H2* G 2 1H2* G 2 15.339 0.566 5.302 18 2HO* G 2 2HO* G 2 13.764 0.295 7.372 19 H1* G 2 H1* G 2 16.893 0.247 7.750 20 H8 G 2 H8 G 2 18.839 1.645 7.050 21 H1 G 2 H1 G 2 19.066 -1.098 1.263 22 1H2 G 2 1H2 G 2 16.351 -2.931 2.369 23 2H2 G 2 2H2 G 2 17.481 -2.601 1.072 24 1H5* C 3 1H5* C 3 10.858 -1.308 3.260 25 2H5* C 3 2H5* C 3 11.389 -2.910 2.716 26 H4* C 3 H4* C 3 11.389 -1.161 0.963 27 H3* C 3 H3* C 3 13.348 -3.140 1.327 28 H2* C 3 1H2* C 3 15.115 -1.641 1.897 29 2HO* C 3 2HO* C 3 14.784 -1.905 -0.826 30 H1* C 3 H1* C 3 13.675 0.462 0.153 31 1H4 C 3 1H4 C 3 17.833 3.859 4.010 32 2H4 C 3 2H4 C 3 18.438 3.995 2.372 33 H5 C 3 H5 C 3 15.923 2.439 4.574 34 H6 C 3 H6 C 3 14.292 0.851 3.683 35 1H5* G 4 1H5* G 4 9.464 -1.615 -2.095 36 2H5* G 4 2H5* G 4 10.885 -0.744 -1.489 37 H4* G 4 H4* G 4 8.153 -0.913 -0.230 38 H3* G 4 H3* G 4 9.627 1.297 -1.630 39 H2* G 4 1H2* G 4 8.890 2.860 -0.026 40 2HO* G 4 2HO* G 4 6.694 1.361 -0.195 41 H1* G 4 H1* G 4 8.652 0.980 2.170 42 H8 G 4 H8 G 4 9.932 2.343 3.855 43 H1 G 4 H1 G 4 14.476 3.788 -0.427 44 1H2 G 4 1H2 G 4 12.550 1.962 -2.635 45 2H2 G 4 2H2 G 4 13.999 2.910 -2.371 46 1H5* C 5 1H5* C 5 7.142 3.573 -4.613 47 2H5* C 5 2H5* C 5 7.833 2.400 -5.748 48 H4* C 5 H4* C 5 8.744 4.546 -6.215 49 H3* C 5 H3* C 5 10.399 2.435 -5.969 50 H2* C 5 1H2* C 5 10.929 2.810 -3.620 51 2HO* C 5 2HO* C 5 12.915 4.500 -4.067 52 H1* C 5 H1* C 5 11.155 5.787 -4.392 53 1H4 C 5 1H4 C 5 10.631 5.762 2.188 54 2H4 C 5 2H4 C 5 12.054 6.696 1.769 55 H5 C 5 H5 C 5 9.304 4.600 0.516 56 H6 C 5 H6 C 5 9.115 4.064 -1.862 57 1H5* G 6 1H5* G 6 9.374 6.387 -9.086 58 2H5* G 6 2H5* G 6 9.519 6.202 -7.327 59 H4* G 6 H4* G 6 7.036 5.590 -8.924 60 H3* G 6 H3* G 6 7.818 8.138 -7.532 61 H2* G 6 1H2* G 6 5.574 8.375 -6.737 62 2HO* G 6 2HO* G 6 5.010 7.193 -9.020 63 H1* G 6 H1* G 6 5.165 5.614 -6.220 64 H8 G 6 H8 G 6 4.540 6.309 -3.844 65 H1 G 6 H1 G 6 10.413 8.683 -2.856 66 1H2 G 6 1H2 G 6 10.873 8.128 -6.242 67 2H2 G 6 2H2 G 6 11.552 8.710 -4.736 68 H3T G 6 H3T G 6 7.722 8.530 -9.562 69 1H5* C 7 1H5* C 7 16.129 12.637 0.401 70 2H5* C 7 2H5* C 7 16.268 14.295 -0.209 71 H4* C 7 H4* C 7 17.087 12.937 -1.909 72 H3* C 7 H3* C 7 15.176 14.591 -2.659 73 H2* C 7 1H2* C 7 13.238 13.237 -2.219 74 2HO* C 7 2HO* C 7 14.211 12.903 -4.817 75 H1* C 7 H1* C 7 14.511 10.720 -3.357 76 1H4 C 7 1H4 C 7 10.518 9.110 1.657 77 2H4 C 7 2H4 C 7 9.749 8.511 0.201 78 H5 C 7 H5 C 7 12.554 10.423 1.614 79 H6 C 7 H6 C 7 14.254 11.417 0.173 80 H5T C 7 H5T C 7 14.078 14.304 -0.642 81 1H5* G 8 1H5* G 8 19.035 11.683 -4.540 82 2H5* G 8 2H5* G 8 17.487 11.481 -3.707 83 H4* G 8 H4* G 8 20.180 11.678 -2.360 84 H3* G 8 H3* G 8 18.569 9.221 -3.092 85 H2* G 8 1H2* G 8 19.245 8.264 -1.025 86 2HO* G 8 2HO* G 8 21.499 9.432 -1.631 87 H1* G 8 H1* G 8 19.467 10.830 0.342 88 H8 G 8 H8 G 8 18.162 10.218 2.379 89 H1 G 8 H1 G 8 13.593 7.355 -1.087 90 1H2 G 8 1H2 G 8 15.526 8.276 -3.805 91 2H2 G 8 2H2 G 8 14.071 7.489 -3.226 92 1H5* C 9 1H5* C 9 20.607 6.229 -5.677 93 2H5* C 9 2H5* C 9 19.361 6.877 -6.758 94 H4* C 9 H4* C 9 18.939 4.578 -5.930 95 H3* C 9 H3* C 9 17.028 6.602 -6.251 96 H2* C 9 1H2* C 9 16.540 6.861 -3.930 97 2HO* C 9 2HO* C 9 15.116 4.815 -5.099 98 H1* C 9 H1* C 9 17.283 3.882 -3.603 99 1H4 C 9 1H4 C 9 17.504 6.555 2.447 100 2H4 C 9 2H4 C 9 16.132 5.466 2.428 101 H5 C 9 H5 C 9 18.829 7.003 0.444 102 H6 C 9 H6 C 9 19.025 6.562 -1.953 103 1H5* G 10 1H5* G 10 18.449 1.787 -8.241 104 2H5* G 10 2H5* G 10 18.017 2.274 -6.591 105 H4* G 10 H4* G 10 20.734 2.370 -7.887 106 H3* G 10 H3* G 10 19.539 0.613 -5.767 107 H2* G 10 1H2* G 10 21.516 0.734 -4.491 108 2HO* G 10 2HO* G 10 22.585 0.640 -6.934 109 H1* G 10 H1* G 10 22.368 3.336 -5.465 110 H8 G 10 H8 G 10 22.849 4.373 -3.224 111 H1 G 10 H1 G 10 17.507 1.903 -0.680 112 1H2 G 10 1H2 G 10 17.042 0.484 -3.789 113 2H2 G 10 2H2 G 10 16.447 0.693 -2.155 114 1H5* C 11 1H5* C 11 20.480 -3.805 -6.336 115 2H5* C 11 2H5* C 11 18.908 -3.769 -7.155 116 H4* C 11 H4* C 11 18.689 -5.010 -5.140 117 H3* C 11 H3* C 11 16.902 -3.072 -5.698 118 H2* C 11 1H2* C 11 18.009 -1.326 -4.410 119 2HO* C 11 2HO* C 11 16.187 -2.771 -2.767 120 H1* C 11 H1* C 11 18.413 -3.487 -2.249 121 1H4 C 11 1H4 C 11 22.624 1.364 -0.711 122 2H4 C 11 2H4 C 11 21.692 0.986 0.725 123 H5 C 11 H5 C 11 22.200 0.294 -2.850 124 H6 C 11 H6 C 11 20.757 -1.278 -4.045 125 1H5* G 12 1H5* G 12 17.109 -7.981 -4.258 126 2H5* G 12 2H5* G 12 18.005 -6.516 -3.811 127 H4* G 12 H4* G 12 18.611 -8.224 -6.219 128 H3* G 12 H3* G 12 19.747 -8.407 -3.442 129 H2* G 12 1H2* G 12 21.925 -8.749 -4.370 130 2HO* G 12 2HO* G 12 20.568 -9.960 -6.253 131 H1* G 12 H1* G 12 21.614 -6.912 -6.511 132 H8 G 12 H8 G 12 23.731 -5.773 -5.665 133 H1 G 12 H1 G 12 20.929 -4.406 -0.063 134 1H2 G 12 1H2 G 12 18.356 -6.414 -1.212 135 2H2 G 12 2H2 G 12 18.979 -5.410 0.083 136 H3T G 12 H3T G 12 18.358 -9.993 -4.282
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