NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
8532 | 1me0 | 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 4.247 -11.840 6.341 2 2H5* G 1 2H5* G 1 4.846 -12.215 4.701 3 H4* G 1 H4* G 1 2.369 -12.343 4.931 4 H3* G 1 H3* G 1 3.788 -10.856 2.974 5 H1* G 1 H1* G 1 0.446 -9.727 4.652 6 H8 G 1 H8 G 1 3.631 -7.692 5.531 7 H1 G 1 H1 G 1 -1.921 -4.898 6.905 8 1H2 G 1 1H2 G 1 -3.310 -7.795 5.581 9 2H2 G 1 2H2 G 1 -3.593 -6.223 6.305 10 H5T G 1 H5T G 1 4.435 -9.583 5.719 11 1H2* G 1 1H2* G 1 3.036 -8.768 3.506 12 2H2* G 1 2H2* G 1 1.510 -9.330 2.678 13 1H5* G 2 1H5* G 2 -1.213 -11.449 2.903 14 2H5* G 2 2H5* G 2 -1.372 -11.915 1.189 15 H4* G 2 H4* G 2 -3.339 -10.696 2.020 16 H3* G 2 H3* G 2 -1.734 -9.832 -0.199 17 H1* G 2 H1* G 2 -3.713 -7.572 2.303 18 H8 G 2 H8 G 2 0.144 -7.396 2.329 19 H1 G 2 H1 G 2 -2.747 -2.296 4.780 20 1H2 G 2 1H2 G 2 -5.683 -3.946 3.944 21 2H2 G 2 2H2 G 2 -4.938 -2.519 4.637 22 1H2* G 2 1H2* G 2 -1.364 -7.714 0.453 23 2H2* G 2 2H2* G 2 -3.134 -7.465 0.102 24 1H5* A 3 1H5* A 3 -6.094 -8.226 0.622 25 2H5* A 3 2H5* A 3 -6.963 -8.293 -0.922 26 H4* A 3 H4* A 3 -7.753 -6.407 0.427 27 H3* A 3 H3* A 3 -6.754 -6.201 -2.238 28 H1* A 3 H1* A 3 -6.361 -3.501 0.579 29 H8 A 3 H8 A 3 -3.203 -5.294 -0.757 30 1H6 A 3 1H6 A 3 0.110 -2.412 1.188 31 2H6 A 3 2H6 A 3 0.022 -0.943 2.138 32 H2 A 3 H2 A 3 -4.348 -0.062 2.726 33 1H2* A 3 1H2* A 3 -5.143 -4.658 -1.899 34 2H2* A 3 2H2* A 3 -6.540 -3.505 -1.692 35 1H5* C 4 1H5* C 4 -9.227 -2.528 -0.348 36 2H5* C 4 2H5* C 4 -10.251 -1.892 -1.650 37 H4* C 4 H4* C 4 -9.350 -0.057 -0.305 38 H3* C 4 H3* C 4 -8.988 -0.314 -3.144 39 H1* C 4 H1* C 4 -6.611 1.344 -0.570 40 1H4 C 4 1H4 C 4 -0.530 -0.433 -0.859 41 2H4 C 4 2H4 C 4 -0.910 -1.806 -1.882 42 H5 C 4 H5 C 4 -3.149 -2.357 -2.578 43 H6 C 4 H6 C 4 -5.496 -1.690 -2.469 44 1H2* C 4 1H2* C 4 -6.747 -0.126 -3.184 45 2H2* C 4 2H2* C 4 -7.050 1.630 -2.801 46 1H5* U25 5 1H5* U5P 5 -8.126 4.191 -1.095 47 2H5* U25 5 2H5* U5P 5 -8.739 5.239 -2.390 48 H4* U25 5 H4* U5P 5 -6.670 6.172 -1.528 49 H3* U25 5 H3* U5P 5 -6.614 4.956 -4.273 50 H2* U25 5 H2* U5P 5 -4.383 5.288 -4.535 51 H1* U25 5 H1* U5P 5 -3.601 5.258 -1.813 52 H3 U25 5 HN3 U5P 5 -0.927 1.858 -2.909 53 H5 U25 5 H5 U5P 5 -4.523 0.817 -4.818 54 H6 U25 5 H6 U5P 5 -5.491 2.882 -3.981 55 3HO* U25 5 *HO3 U5P 5 -6.351 7.619 -3.258 56 1H5* U25 6 1H5* U5P 6 -1.632 7.565 -2.539 57 2H5* U25 6 2H5* U5P 6 -1.135 8.982 -3.489 58 H4* U25 6 H4* U5P 6 0.824 7.671 -2.793 59 H3* U25 6 H3* U5P 6 0.205 8.443 -5.440 60 H2* U25 6 H2* U5P 6 0.041 6.438 -6.415 61 H1* U25 6 H1* U5P 6 1.822 4.986 -4.497 62 H3 U25 6 HN3 U5P 6 0.311 1.098 -6.117 63 H5 U25 6 H5 U5P 6 -3.007 3.640 -6.600 64 H6 U25 6 H6 U5P 6 -1.697 5.435 -5.604 65 3HO* U25 6 *HO3 U5P 6 2.662 8.073 -5.530 66 1H5* C25 7 1H5* C5P 7 3.545 3.769 -9.365 67 2H5* C25 7 2H5* C5P 7 3.208 2.422 -8.258 68 H4* C25 7 H4* C5P 7 5.605 2.606 -9.106 69 H3* C25 7 H3* C5P 7 4.635 1.977 -6.501 70 H2* C25 7 H2* C5P 7 5.645 3.570 -5.278 71 H1* C25 7 H1* C5P 7 7.818 4.218 -7.220 72 1H4 C25 7 1HN4 C5P 7 7.110 9.691 -4.059 73 2H4 C25 7 2HN4 C5P 7 5.378 9.474 -3.964 74 H5 C25 7 H5 C5P 7 4.237 7.553 -4.868 75 H6 C25 7 H6 C5P 7 4.519 5.426 -6.045 76 3HO* C25 7 *HO3 C5P 7 7.266 1.449 -7.422 77 1H5* G25 8 1H5* 5GP 8 8.719 3.632 -3.813 78 2H5* G25 8 2H5* 5GP 8 9.387 2.733 -2.418 79 H4* G25 8 H4* 5GP 8 8.798 5.116 -1.927 80 H3* G25 8 H3* 5GP 8 7.366 2.822 -0.629 81 H2* G25 8 H2* 5GP 8 5.849 4.148 0.470 82 H1* G25 8 H1* 5GP 8 5.453 6.085 -1.420 83 H8 G25 8 H8 5GP 8 5.703 2.388 -2.417 84 H1 G25 8 HN1 5GP 8 -0.238 4.450 -1.498 85 1H2 G25 8 1HN2 5GP 8 1.294 7.352 -0.354 86 2H2 G25 8 2HN2 5GP 8 -0.199 6.497 -0.663 87 3HO* G25 8 *HO3 5GP 8 8.985 4.964 0.353 88 1H5* G 9 1H5* G 9 4.840 7.911 1.008 89 2H5* G 9 2H5* G 9 5.295 8.406 2.665 90 H4* G 9 H4* G 9 2.908 8.768 2.227 91 H3* G 9 H3* G 9 3.919 7.153 4.323 92 H1* G 9 H1* G 9 0.653 6.346 2.309 93 H8 G 9 H8 G 9 3.781 4.146 1.769 94 H1 G 9 H1 G 9 -1.758 1.431 0.176 95 1H2 G 9 1H2 G 9 -3.144 4.441 1.205 96 2H2 G 9 2H2 G 9 -3.419 2.838 0.555 97 1H2* G 9 1H2* G 9 2.989 5.185 3.764 98 2H2* G 9 2H2* G 9 1.457 5.937 4.401 99 1H5* T 10 1H5* T 10 -0.810 8.074 4.096 100 2H5* T 10 2H5* T 10 -1.178 8.624 5.742 101 H4* T 10 H4* T 10 -3.066 7.373 4.845 102 H3* T 10 H3* T 10 -1.678 6.672 7.259 103 1H2* T 10 1H2* T 10 -1.268 4.510 6.795 104 2H2* T 10 2H2* T 10 -3.063 4.289 7.011 105 H1* T 10 H1* T 10 -3.461 4.254 4.764 106 H3 T 10 H3 T 10 -1.801 0.425 3.123 107 1H5M T 10 1H5M T 10 2.275 2.551 5.658 108 2H5M T 10 2H5M T 10 2.487 3.250 4.037 109 3H5M T 10 3H5M T 10 2.549 1.487 4.257 110 H6 T 10 H6 T 10 0.236 4.200 5.272 111 1H5* C 11 1H5* C 11 -5.953 5.182 6.222 112 2H5* C 11 2H5* C 11 -6.994 5.216 7.659 113 H4* C 11 H4* C 11 -7.579 3.323 6.230 114 H3* C 11 H3* C 11 -6.813 3.093 8.986 115 H1* C 11 H1* C 11 -6.220 0.495 6.147 116 1H4 C 11 1H4 C 11 -0.226 -1.556 5.765 117 2H4 C 11 2H4 C 11 0.357 -0.257 6.790 118 H5 C 11 H5 C 11 -1.094 1.439 7.725 119 H6 C 11 H6 C 11 -3.407 2.234 7.877 120 1H2* C 11 1H2* C 11 -5.209 1.530 8.766 121 2H2* C 11 2H2* C 11 -6.586 0.404 8.380 122 1H5* C 12 1H5* C 12 -8.970 -0.617 6.656 123 2H5* C 12 2H5* C 12 -10.206 -1.095 7.836 124 H4* C 12 H4* C 12 -9.351 -3.069 6.702 125 H3* C 12 H3* C 12 -9.236 -2.699 9.549 126 H1* C 12 H1* C 12 -6.719 -4.670 7.319 127 1H4 C 12 1H4 C 12 -0.649 -3.023 8.121 128 2H4 C 12 2H4 C 12 -1.080 -1.640 9.111 129 H5 C 12 H5 C 12 -3.365 -1.044 9.624 130 H6 C 12 H6 C 12 -5.711 -1.655 9.298 131 H3T C 12 H3T C 12 -9.360 -5.038 7.907 132 1H2* C 12 1H2* C 12 -7.062 -3.119 9.866 133 2H2* C 12 2H2* C 12 -7.490 -4.846 9.463 Start of MODEL 2 1 1H5* G 1 1H5* G 1 5.060 -11.894 5.700 2 2H5* G 1 2H5* G 1 5.389 -12.134 3.960 3 H4* G 1 H4* G 1 3.013 -12.526 4.618 4 H3* G 1 H3* G 1 3.928 -10.841 2.526 5 H1* G 1 H1* G 1 0.840 -10.091 4.808 6 H8 G 1 H8 G 1 3.997 -7.919 5.385 7 H1 G 1 H1 G 1 -1.508 -5.315 7.238 8 1H2 G 1 1H2 G 1 -2.915 -8.235 5.985 9 2H2 G 1 2H2 G 1 -3.183 -6.681 6.754 10 H5T G 1 H5T G 1 4.898 -9.599 5.164 11 1H2* G 1 1H2* G 1 3.084 -8.860 3.264 12 2H2* G 1 2H2* G 1 1.497 -9.558 2.697 13 1H5* G 2 1H5* G 2 -1.003 -11.728 3.114 14 2H5* G 2 2H5* G 2 -1.301 -12.235 1.429 15 H4* G 2 H4* G 2 -3.245 -11.107 2.418 16 H3* G 2 H3* G 2 -1.899 -10.182 0.059 17 H1* G 2 H1* G 2 -3.736 -7.993 2.723 18 H8 G 2 H8 G 2 0.101 -7.691 2.481 19 H1 G 2 H1 G 2 -2.820 -2.670 5.030 20 1H2 G 2 1H2 G 2 -5.734 -4.442 4.357 21 2H2 G 2 2H2 G 2 -5.014 -2.978 5.000 22 1H2* G 2 1H2* G 2 -1.557 -8.046 0.673 23 2H2* G 2 2H2* G 2 -3.363 -7.870 0.480 24 1H5* A 3 1H5* A 3 -6.272 -8.356 1.176 25 2H5* A 3 2H5* A 3 -7.126 -8.577 -0.363 26 H4* A 3 H4* A 3 -7.870 -6.513 0.679 27 H3* A 3 H3* A 3 -6.685 -6.633 -1.920 28 H1* A 3 H1* A 3 -6.402 -3.676 0.630 29 H8 A 3 H8 A 3 -3.205 -5.633 -0.312 30 1H6 A 3 1H6 A 3 0.044 -2.581 1.472 31 2H6 A 3 2H6 A 3 -0.074 -1.025 2.267 32 H2 A 3 H2 A 3 -4.461 -0.062 2.566 33 1H2* A 3 1H2* A 3 -5.045 -5.113 -1.622 34 2H2* A 3 2H2* A 3 -6.406 -3.902 -1.642 35 1H5* C 4 1H5* C 4 -8.996 -2.786 -0.282 36 2H5* C 4 2H5* C 4 -10.083 -2.294 -1.596 37 H4* C 4 H4* C 4 -9.300 -0.313 -0.417 38 H3* C 4 H3* C 4 -8.901 -0.761 -3.216 39 H1* C 4 H1* C 4 -6.607 1.203 -0.798 40 1H4 C 4 1H4 C 4 -0.452 -0.316 -0.962 41 2H4 C 4 2H4 C 4 -0.784 -1.862 -1.721 42 H5 C 4 H5 C 4 -3.012 -2.613 -2.275 43 H6 C 4 H6 C 4 -5.388 -2.020 -2.239 44 1H2* C 4 1H2* C 4 -6.658 -0.541 -3.243 45 2H2* C 4 2H2* C 4 -7.021 1.233 -3.055 46 1H5* U25 5 1H5* U5P 5 -8.150 3.867 -1.284 47 2H5* U25 5 2H5* U5P 5 -8.852 4.827 -2.601 48 H4* U25 5 H4* U5P 5 -6.876 5.964 -1.792 49 H3* U25 5 H3* U5P 5 -6.686 4.644 -4.481 50 H2* U25 5 H2* U5P 5 -4.490 5.158 -4.744 51 H1* U25 5 H1* U5P 5 -3.730 5.314 -2.019 52 H3 U25 5 HN3 U5P 5 -0.734 2.188 -3.151 53 H5 U25 5 H5 U5P 5 -4.322 0.615 -4.678 54 H6 U25 5 H6 U5P 5 -5.445 2.633 -3.932 55 3HO* U25 5 *HO3 U5P 5 -6.633 7.366 -3.607 56 1H5* U25 6 1H5* U5P 6 -1.941 7.650 -2.788 57 2H5* U25 6 2H5* U5P 6 -1.528 9.065 -3.780 58 H4* U25 6 H4* U5P 6 0.502 7.915 -2.998 59 H3* U25 6 H3* U5P 6 -0.109 8.569 -5.681 60 H2* U25 6 H2* U5P 6 -0.101 6.531 -6.604 61 H1* U25 6 H1* U5P 6 1.727 5.263 -4.602 62 H3 U25 6 HN3 U5P 6 0.530 1.244 -6.163 63 H5 U25 6 H5 U5P 6 -2.963 3.524 -6.731 64 H6 U25 6 H6 U5P 6 -1.794 5.433 -5.772 65 3HO* U25 6 *HO3 U5P 6 2.435 8.213 -5.598 66 1H5* C25 7 1H5* C5P 7 3.677 3.998 -9.328 67 2H5* C25 7 2H5* C5P 7 3.398 2.679 -8.174 68 H4* C25 7 H4* C5P 7 5.802 3.017 -8.981 69 H3* C25 7 H3* C5P 7 4.808 2.367 -6.380 70 H2* C25 7 H2* C5P 7 5.712 4.021 -5.164 71 H1* C25 7 H1* C5P 7 7.863 4.777 -7.091 72 1H4 C25 7 1HN4 C5P 7 6.851 10.210 -3.951 73 2H4 C25 7 2HN4 C5P 7 5.138 9.886 -3.828 74 H5 C25 7 H5 C5P 7 4.107 7.891 -4.702 75 H6 C25 7 H6 C5P 7 4.497 5.794 -5.901 76 3HO* C25 7 *HO3 C5P 7 7.470 1.972 -7.297 77 1H5* G25 8 1H5* 5GP 8 8.772 4.301 -3.571 78 2H5* G25 8 2H5* 5GP 8 9.430 3.346 -2.210 79 H4* G25 8 H4* 5GP 8 8.806 5.686 -1.600 80 H3* G25 8 H3* 5GP 8 7.353 3.315 -0.474 81 H2* G25 8 H2* 5GP 8 5.788 4.563 0.646 82 H1* G25 8 H1* 5GP 8 5.411 6.592 -1.164 83 H8 G25 8 H8 5GP 8 5.818 2.932 -2.276 84 H1 G25 8 HN1 5GP 8 -0.231 4.802 -1.724 85 1H2 G25 8 1HN2 5GP 8 1.119 7.729 -0.435 86 2H2 G25 8 2HN2 5GP 8 -0.317 6.830 -0.863 87 3HO* G25 8 *HO3 5GP 8 8.893 5.417 0.700 88 1H5* G 9 1H5* G 9 4.684 8.265 1.170 89 2H5* G 9 2H5* G 9 4.979 8.729 2.870 90 H4* G 9 H4* G 9 2.635 9.064 2.227 91 H3* G 9 H3* G 9 3.481 7.413 4.368 92 H1* G 9 H1* G 9 0.416 6.622 2.055 93 H8 G 9 H8 G 9 3.625 4.528 1.632 94 H1 G 9 H1 G 9 -1.762 1.631 -0.168 95 1H2 G 9 1H2 G 9 -3.288 4.571 0.877 96 2H2 G 9 2H2 G 9 -3.487 2.968 0.196 97 1H2* G 9 1H2* G 9 2.621 5.453 3.695 98 2H2* G 9 2H2* G 9 1.031 6.181 4.203 99 1H5* T 10 1H5* T 10 -1.322 8.119 3.807 100 2H5* T 10 2H5* T 10 -1.730 8.701 5.432 101 H4* T 10 H4* T 10 -3.558 7.346 4.582 102 H3* T 10 H3* T 10 -2.136 6.758 6.998 103 1H2* T 10 1H2* T 10 -1.577 4.624 6.552 104 2H2* T 10 2H2* T 10 -3.350 4.288 6.800 105 H1* T 10 H1* T 10 -3.778 4.190 4.561 106 H3 T 10 H3 T 10 -1.916 0.448 2.958 107 1H5M T 10 1H5M T 10 2.377 1.776 4.025 108 2H5M T 10 2H5M T 10 2.063 2.884 5.382 109 3H5M T 10 3H5M T 10 2.210 3.519 3.729 110 H6 T 10 H6 T 10 -0.079 4.369 5.015 111 1H5* C 11 1H5* C 11 -6.346 4.743 6.004 112 2H5* C 11 2H5* C 11 -7.281 4.813 7.510 113 H4* C 11 H4* C 11 -7.801 2.758 6.311 114 H3* C 11 H3* C 11 -6.760 2.830 8.986 115 H1* C 11 H1* C 11 -6.218 0.064 6.305 116 1H4 C 11 1H4 C 11 -0.158 -1.603 5.538 117 2H4 C 11 2H4 C 11 0.420 -0.134 6.305 118 H5 C 11 H5 C 11 -1.066 1.565 7.189 119 H6 C 11 H6 C 11 -3.416 2.190 7.520 120 1H2* C 11 1H2* C 11 -5.046 1.400 8.717 121 2H2* C 11 2H2* C 11 -6.345 0.130 8.576 122 1H5* C 12 1H5* C 12 -8.762 -1.238 7.176 123 2H5* C 12 2H5* C 12 -9.860 -1.682 8.497 124 H4* C 12 H4* C 12 -8.982 -3.697 7.474 125 H3* C 12 H3* C 12 -8.606 -3.050 10.248 126 H1* C 12 H1* C 12 -6.234 -5.105 7.942 127 1H4 C 12 1H4 C 12 -0.190 -3.182 8.071 128 2H4 C 12 2H4 C 12 -0.612 -1.679 8.873 129 H5 C 12 H5 C 12 -2.881 -1.094 9.476 130 H6 C 12 H6 C 12 -5.217 -1.834 9.429 131 H3T C 12 H3T C 12 -9.048 -5.305 10.419 132 1H2* C 12 1H2* C 12 -6.390 -3.340 10.366 133 2H2* C 12 2H2* C 12 -6.764 -5.117 10.170 Start of MODEL 3 1 1H5* G 1 1H5* G 1 4.585 -12.154 6.509 2 2H5* G 1 2H5* G 1 5.073 -12.500 4.826 3 H4* G 1 H4* G 1 2.643 -12.835 5.265 4 H3* G 1 H3* G 1 3.767 -11.269 3.189 5 H1* G 1 H1* G 1 0.503 -10.343 5.139 6 H8 G 1 H8 G 1 3.648 -8.201 5.878 7 H1 G 1 H1 G 1 -1.932 -5.467 7.267 8 1H2 G 1 1H2 G 1 -3.292 -8.415 6.026 9 2H2 G 1 2H2 G 1 -3.590 -6.833 6.721 10 H5T G 1 H5T G 1 4.495 -9.889 5.804 11 1H2* G 1 1H2* G 1 2.921 -9.235 3.774 12 2H2* G 1 2H2* G 1 1.377 -9.913 3.081 13 1H5* G 2 1H5* G 2 -1.241 -12.074 3.439 14 2H5* G 2 2H5* G 2 -1.403 -12.631 1.751 15 H4* G 2 H4* G 2 -3.413 -11.463 2.522 16 H3* G 2 H3* G 2 -1.837 -10.586 0.288 17 H1* G 2 H1* G 2 -3.910 -8.341 2.730 18 H8 G 2 H8 G 2 -0.067 -8.076 2.845 19 H1 G 2 H1 G 2 -3.128 -2.940 4.975 20 1H2 G 2 1H2 G 2 -6.002 -4.681 4.090 21 2H2 G 2 2H2 G 2 -5.312 -3.213 4.757 22 1H2* G 2 1H2* G 2 -1.558 -8.438 0.883 23 2H2* G 2 2H2* G 2 -3.338 -8.274 0.528 24 1H5* A 3 1H5* A 3 -6.238 -8.884 0.946 25 2H5* A 3 2H5* A 3 -7.012 -8.995 -0.645 26 H4* A 3 H4* A 3 -7.774 -6.993 0.532 27 H3* A 3 H3* A 3 -6.529 -6.970 -2.055 28 H1* A 3 H1* A 3 -6.352 -4.180 0.677 29 H8 A 3 H8 A 3 -3.106 -6.072 -0.210 30 1H6 A 3 1H6 A 3 0.045 -2.901 1.507 31 2H6 A 3 2H6 A 3 -0.115 -1.321 2.251 32 H2 A 3 H2 A 3 -4.525 -0.446 2.469 33 1H2* A 3 1H2* A 3 -4.940 -5.428 -1.651 34 2H2* A 3 2H2* A 3 -6.327 -4.241 -1.607 35 1H5* C 4 1H5* C 4 -8.687 -3.171 -0.386 36 2H5* C 4 2H5* C 4 -9.760 -2.584 -1.668 37 H4* C 4 H4* C 4 -8.828 -0.672 -0.533 38 H3* C 4 H3* C 4 -8.367 -1.195 -3.325 39 H1* C 4 H1* C 4 -6.171 0.721 -0.821 40 1H4 C 4 1H4 C 4 0.022 -0.652 -0.912 41 2H4 C 4 2H4 C 4 -0.270 -2.236 -1.606 42 H5 C 4 H5 C 4 -2.484 -3.061 -2.147 43 H6 C 4 H6 C 4 -4.881 -2.517 -2.153 44 1H2* C 4 1H2* C 4 -6.124 -1.004 -3.277 45 2H2* C 4 2H2* C 4 -6.459 0.774 -3.095 46 1H5* U25 5 1H5* U5P 5 -7.847 3.454 -1.295 47 2H5* U25 5 2H5* U5P 5 -8.572 4.359 -2.641 48 H4* U25 5 H4* U5P 5 -6.732 5.643 -1.681 49 H3* U25 5 H3* U5P 5 -6.438 4.486 -4.431 50 H2* U25 5 H2* U5P 5 -4.269 5.113 -4.667 51 H1* U25 5 H1* U5P 5 -3.477 5.128 -1.965 52 H3 U25 5 HN3 U5P 5 -0.473 2.108 -3.277 53 H5 U25 5 H5 U5P 5 -4.068 0.525 -4.793 54 H6 U25 5 H6 U5P 5 -5.214 2.486 -3.936 55 3HO* U25 5 *HO3 U5P 5 -6.560 7.138 -3.362 56 1H5* U25 6 1H5* U5P 6 -1.921 7.798 -2.547 57 2H5* U25 6 2H5* U5P 6 -1.684 9.309 -3.449 58 H4* U25 6 H4* U5P 6 0.474 8.394 -2.703 59 H3* U25 6 H3* U5P 6 -0.195 9.104 -5.355 60 H2* U25 6 H2* U5P 6 0.063 7.128 -6.379 61 H1* U25 6 H1* U5P 6 2.035 5.993 -4.437 62 H3 U25 6 HN3 U5P 6 1.308 1.944 -6.214 63 H5 U25 6 H5 U5P 6 -2.435 3.820 -6.642 64 H6 U25 6 H6 U5P 6 -1.489 5.802 -5.591 65 3HO* U25 6 *HO3 U5P 6 2.443 8.894 -5.107 66 1H5* C25 7 1H5* C5P 7 3.601 4.864 -9.262 67 2H5* C25 7 2H5* C5P 7 3.377 3.598 -8.038 68 H4* C25 7 H4* C5P 7 5.710 3.846 -9.137 69 H3* C25 7 H3* C5P 7 4.954 3.122 -6.476 70 H2* C25 7 H2* C5P 7 6.028 4.701 -5.293 71 H1* C25 7 H1* C5P 7 8.008 5.475 -7.388 72 1H4 C25 7 1HN4 C5P 7 7.444 10.795 -3.959 73 2H4 C25 7 2HN4 C5P 7 5.758 10.475 -3.629 74 H5 C25 7 H5 C5P 7 4.590 8.531 -4.469 75 H6 C25 7 H6 C5P 7 4.805 6.499 -5.802 76 3HO* C25 7 *HO3 C5P 7 7.532 2.663 -7.531 77 1H5* G25 8 1H5* 5GP 8 8.698 5.324 -3.812 78 2H5* G25 8 2H5* 5GP 8 9.573 4.296 -2.638 79 H4* G25 8 H4* 5GP 8 8.770 6.467 -1.686 80 H3* G25 8 H3* 5GP 8 7.701 3.820 -0.769 81 H2* G25 8 H2* 5GP 8 6.073 4.697 0.584 82 H1* G25 8 H1* 5GP 8 5.335 6.896 -0.901 83 H8 G25 8 H8 5GP 8 6.057 3.385 -2.366 84 H1 G25 8 HN1 5GP 8 -0.119 4.743 -1.696 85 1H2 G25 8 1HN2 5GP 8 1.011 7.669 -0.213 86 2H2 G25 8 2HN2 5GP 8 -0.356 6.699 -0.703 87 3HO* G25 8 *HO3 5GP 8 9.027 5.947 0.601 88 1H5* G 9 1H5* G 9 4.657 8.372 1.374 89 2H5* G 9 2H5* G 9 4.918 8.698 3.112 90 H4* G 9 H4* G 9 2.571 9.043 2.411 91 H3* G 9 H3* G 9 3.411 7.334 4.508 92 H1* G 9 H1* G 9 0.427 6.518 2.085 93 H8 G 9 H8 G 9 3.745 4.601 1.649 94 H1 G 9 H1 G 9 -1.466 1.453 -0.245 95 1H2 G 9 1H2 G 9 -3.145 4.309 0.812 96 2H2 G 9 2H2 G 9 -3.258 2.707 0.111 97 1H2* G 9 1H2* G 9 2.632 5.372 3.741 98 2H2* G 9 2H2* G 9 1.008 6.033 4.233 99 1H5* T 10 1H5* T 10 -1.370 8.010 3.797 100 2H5* T 10 2H5* T 10 -1.856 8.532 5.421 101 H4* T 10 H4* T 10 -3.660 7.258 4.414 102 H3* T 10 H3* T 10 -2.387 6.507 6.876 103 1H2* T 10 1H2* T 10 -1.909 4.371 6.363 104 2H2* T 10 2H2* T 10 -3.708 4.110 6.483 105 H1* T 10 H1* T 10 -3.992 4.140 4.218 106 H3 T 10 H3 T 10 -2.203 0.270 2.815 107 1H5M T 10 1H5M T 10 2.116 1.609 3.768 108 2H5M T 10 2H5M T 10 1.813 2.638 5.188 109 3H5M T 10 3H5M T 10 1.952 3.369 3.574 110 H6 T 10 H6 T 10 -0.313 4.238 4.734 111 1H5* C 11 1H5* C 11 -6.572 4.653 5.619 112 2H5* C 11 2H5* C 11 -7.589 4.727 7.069 113 H4* C 11 H4* C 11 -8.079 2.704 5.788 114 H3* C 11 H3* C 11 -7.256 2.721 8.540 115 H1* C 11 H1* C 11 -6.589 -0.040 5.881 116 1H4 C 11 1H4 C 11 -0.540 -1.917 5.668 117 2H4 C 11 2H4 C 11 0.017 -0.443 6.444 118 H5 C 11 H5 C 11 -1.483 1.322 7.154 119 H6 C 11 H6 C 11 -3.834 2.020 7.283 120 1H2* C 11 1H2* C 11 -5.573 1.237 8.392 121 2H2* C 11 2H2* C 11 -6.899 0.014 8.135 122 1H5* C 12 1H5* C 12 -9.185 -1.346 6.554 123 2H5* C 12 2H5* C 12 -10.393 -1.736 7.793 124 H4* C 12 H4* C 12 -9.477 -3.796 6.923 125 H3* C 12 H3* C 12 -9.262 -3.045 9.689 126 H1* C 12 H1* C 12 -6.789 -5.224 7.616 127 1H4 C 12 1H4 C 12 -0.725 -3.404 8.098 128 2H4 C 12 2H4 C 12 -1.172 -1.871 8.827 129 H5 C 12 H5 C 12 -3.464 -1.224 9.243 130 H6 C 12 H6 C 12 -5.804 -1.921 9.057 131 H3T C 12 H3T C 12 -10.657 -4.655 8.932 132 1H2* C 12 1H2* C 12 -7.067 -3.367 9.959 133 2H2* C 12 2H2* C 12 -7.459 -5.144 9.804 Start of MODEL 4 1 1H5* G 1 1H5* G 1 4.340 -12.257 6.484 2 2H5* G 1 2H5* G 1 4.707 -12.653 4.781 3 H4* G 1 H4* G 1 2.304 -12.912 5.390 4 H3* G 1 H3* G 1 3.326 -11.433 3.200 5 H1* G 1 H1* G 1 0.219 -10.375 5.333 6 H8 G 1 H8 G 1 3.456 -8.299 5.815 7 H1 G 1 H1 G 1 -1.958 -5.367 7.436 8 1H2 G 1 1H2 G 1 -3.466 -8.309 6.362 9 2H2 G 1 2H2 G 1 -3.682 -6.699 7.024 10 H5T G 1 H5T G 1 4.269 -10.009 5.748 11 1H2* G 1 1H2* G 1 2.562 -9.364 3.775 12 2H2* G 1 2H2* G 1 0.959 -10.028 3.209 13 1H5* G 2 1H5* G 2 -1.695 -12.059 3.762 14 2H5* G 2 2H5* G 2 -1.945 -12.686 2.110 15 H4* G 2 H4* G 2 -3.883 -11.419 2.889 16 H3* G 2 H3* G 2 -2.353 -10.672 0.578 17 H1* G 2 H1* G 2 -4.273 -8.278 3.003 18 H8 G 2 H8 G 2 -0.418 -8.129 2.973 19 H1 G 2 H1 G 2 -3.255 -2.852 5.069 20 1H2 G 2 1H2 G 2 -6.206 -4.541 4.350 21 2H2 G 2 2H2 G 2 -5.454 -3.072 4.944 22 1H2* G 2 1H2* G 2 -1.982 -8.516 1.091 23 2H2* G 2 2H2* G 2 -3.766 -8.301 0.783 24 1H5* A 3 1H5* A 3 -6.697 -8.718 1.293 25 2H5* A 3 2H5* A 3 -7.478 -8.894 -0.290 26 H4* A 3 H4* A 3 -8.157 -6.791 0.724 27 H3* A 3 H3* A 3 -6.831 -6.977 -1.817 28 H1* A 3 H1* A 3 -6.602 -4.049 0.763 29 H8 A 3 H8 A 3 -3.418 -6.110 0.024 30 1H6 A 3 1H6 A 3 -0.173 -2.978 1.635 31 2H6 A 3 2H6 A 3 -0.284 -1.372 2.327 32 H2 A 3 H2 A 3 -4.663 -0.348 2.495 33 1H2* A 3 1H2* A 3 -5.184 -5.490 -1.447 34 2H2* A 3 2H2* A 3 -6.513 -4.239 -1.513 35 1H5* C 4 1H5* C 4 -8.860 -3.059 -0.485 36 2H5* C 4 2H5* C 4 -9.859 -2.444 -1.813 37 H4* C 4 H4* C 4 -8.848 -0.570 -0.674 38 H3* C 4 H3* C 4 -8.359 -1.146 -3.452 39 H1* C 4 H1* C 4 -6.129 0.681 -0.913 40 1H4 C 4 1H4 C 4 -0.017 -0.981 -0.896 41 2H4 C 4 2H4 C 4 -0.369 -2.559 -1.574 42 H5 C 4 H5 C 4 -2.612 -3.291 -2.124 43 H6 C 4 H6 C 4 -4.979 -2.636 -2.170 44 1H2* C 4 1H2* C 4 -6.105 -1.057 -3.361 45 2H2* C 4 2H2* C 4 -6.367 0.732 -3.190 46 1H5* U25 5 1H5* U5P 5 -7.661 3.356 -1.329 47 2H5* U25 5 2H5* U5P 5 -8.289 4.391 -2.627 48 H4* U25 5 H4* U5P 5 -6.414 5.489 -1.498 49 H3* U25 5 H3* U5P 5 -6.098 4.576 -4.335 50 H2* U25 5 H2* U5P 5 -3.896 5.146 -4.460 51 H1* U25 5 H1* U5P 5 -3.167 4.799 -1.775 52 H3 U25 5 HN3 U5P 5 -0.349 1.760 -3.446 53 H5 U25 5 H5 U5P 5 -4.072 0.475 -4.936 54 H6 U25 5 H6 U5P 5 -5.080 2.433 -3.913 55 3HO* U25 5 *HO3 U5P 5 -6.196 7.106 -2.997 56 1H5* U25 6 1H5* U5P 6 -1.343 7.450 -2.192 57 2H5* U25 6 2H5* U5P 6 -1.093 9.040 -2.943 58 H4* U25 6 H4* U5P 6 1.062 7.950 -2.514 59 H3* U25 6 H3* U5P 6 0.192 8.935 -5.020 60 H2* U25 6 H2* U5P 6 0.288 7.058 -6.238 61 H1* U25 6 H1* U5P 6 2.352 5.686 -4.560 62 H3 U25 6 HN3 U5P 6 1.378 1.815 -6.579 63 H5 U25 6 H5 U5P 6 -2.323 3.818 -6.610 64 H6 U25 6 H6 U5P 6 -1.245 5.693 -5.484 65 3HO* U25 6 *HO3 U5P 6 2.743 8.817 -5.163 66 1H5* C25 7 1H5* C5P 7 3.967 5.172 -9.502 67 2H5* C25 7 2H5* C5P 7 3.964 3.738 -8.455 68 H4* C25 7 H4* C5P 7 6.207 4.425 -9.498 69 H3* C25 7 H3* C5P 7 5.602 3.406 -6.897 70 H2* C25 7 H2* C5P 7 6.471 5.016 -5.602 71 H1* C25 7 H1* C5P 7 8.278 6.233 -7.642 72 1H4 C25 7 1HN4 C5P 7 6.986 11.136 -3.793 73 2H4 C25 7 2HN4 C5P 7 5.363 10.551 -3.507 74 H5 C25 7 H5 C5P 7 4.494 8.533 -4.487 75 H6 C25 7 H6 C5P 7 4.983 6.659 -5.973 76 3HO* C25 7 *HO3 C5P 7 7.478 2.281 -7.279 77 1H5* G25 8 1H5* 5GP 8 9.096 5.620 -4.035 78 2H5* G25 8 2H5* 5GP 8 10.040 4.587 -2.924 79 H4* G25 8 H4* 5GP 8 8.928 6.542 -1.835 80 H3* G25 8 H3* 5GP 8 8.161 3.722 -1.159 81 H2* G25 8 H2* 5GP 8 6.469 4.344 0.275 82 H1* G25 8 H1* 5GP 8 5.525 6.557 -1.073 83 H8 G25 8 H8 5GP 8 6.477 3.174 -2.727 84 H1 G25 8 HN1 5GP 8 0.241 4.108 -1.876 85 1H2 G25 8 1HN2 5GP 8 1.212 7.045 -0.326 86 2H2 G25 8 2HN2 5GP 8 -0.101 5.999 -0.820 87 3HO* G25 8 *HO3 5GP 8 9.247 5.821 0.435 88 1H5* G 9 1H5* G 9 4.647 8.195 0.889 89 2H5* G 9 2H5* G 9 5.014 8.479 2.614 90 H4* G 9 H4* G 9 2.628 8.914 1.946 91 H3* G 9 H3* G 9 3.512 7.407 4.151 92 H1* G 9 H1* G 9 0.447 6.358 1.957 93 H8 G 9 H8 G 9 3.734 4.379 1.557 94 H1 G 9 H1 G 9 -1.555 1.301 -0.245 95 1H2 G 9 1H2 G 9 -3.160 4.231 0.731 96 2H2 G 9 2H2 G 9 -3.316 2.611 0.076 97 1H2* G 9 1H2* G 9 2.790 5.361 3.521 98 2H2* G 9 2H2* G 9 1.174 5.992 4.086 99 1H5* T 10 1H5* T 10 -1.504 7.999 3.289 100 2H5* T 10 2H5* T 10 -1.851 8.614 4.916 101 H4* T 10 H4* T 10 -3.727 7.273 4.114 102 H3* T 10 H3* T 10 -2.287 6.750 6.537 103 1H2* T 10 1H2* T 10 -1.780 4.591 6.168 104 2H2* T 10 2H2* T 10 -3.556 4.301 6.449 105 H1* T 10 H1* T 10 -4.010 4.127 4.218 106 H3 T 10 H3 T 10 -2.246 0.250 2.836 107 1H5M T 10 1H5M T 10 2.094 1.593 3.664 108 2H5M T 10 2H5M T 10 1.809 2.570 5.125 109 3H5M T 10 3H5M T 10 1.939 3.360 3.538 110 H6 T 10 H6 T 10 -0.303 4.261 4.616 111 1H5* C 11 1H5* C 11 -6.544 4.809 5.623 112 2H5* C 11 2H5* C 11 -7.474 4.952 7.126 113 H4* C 11 H4* C 11 -8.059 2.884 5.971 114 H3* C 11 H3* C 11 -7.041 3.003 8.655 115 H1* C 11 H1* C 11 -6.589 0.133 6.066 116 1H4 C 11 1H4 C 11 -0.592 -1.854 5.573 117 2H4 C 11 2H4 C 11 0.031 -0.362 6.257 118 H5 C 11 H5 C 11 -1.395 1.461 6.971 119 H6 C 11 H6 C 11 -3.723 2.205 7.203 120 1H2* C 11 1H2* C 11 -5.389 1.493 8.451 121 2H2* C 11 2H2* C 11 -6.740 0.275 8.335 122 1H5* C 12 1H5* C 12 -9.138 -1.087 7.014 123 2H5* C 12 2H5* C 12 -10.274 -1.411 8.337 124 H4* C 12 H4* C 12 -9.439 -3.516 7.490 125 H3* C 12 H3* C 12 -9.046 -2.666 10.209 126 H1* C 12 H1* C 12 -6.750 -4.965 8.070 127 1H4 C 12 1H4 C 12 -0.628 -3.287 8.134 128 2H4 C 12 2H4 C 12 -0.996 -1.716 8.823 129 H5 C 12 H5 C 12 -3.243 -0.994 9.344 130 H6 C 12 H6 C 12 -5.608 -1.635 9.318 131 H3T C 12 H3T C 12 -10.514 -4.278 9.551 132 1H2* C 12 1H2* C 12 -6.845 -3.022 10.358 133 2H2* C 12 2H2* C 12 -7.278 -4.796 10.294 Start of MODEL 5 1 1H5* G 1 1H5* G 1 5.082 -11.437 5.482 2 2H5* G 1 2H5* G 1 5.460 -11.714 3.758 3 H4* G 1 H4* G 1 3.063 -12.069 4.349 4 H3* G 1 H3* G 1 4.049 -10.448 2.248 5 H1* G 1 H1* G 1 0.920 -9.596 4.423 6 H8 G 1 H8 G 1 4.032 -7.319 4.850 7 H1 G 1 H1 G 1 -1.418 -5.015 7.201 8 1H2 G 1 1H2 G 1 -2.765 -8.021 6.085 9 2H2 G 1 2H2 G 1 -3.052 -6.479 6.871 10 H5T G 1 H5T G 1 4.966 -9.151 4.903 11 1H2* G 1 1H2* G 1 3.259 -8.429 2.966 12 2H2* G 1 2H2* G 1 1.675 -9.069 2.333 13 1H5* G 2 1H5* G 2 -0.802 -11.593 3.048 14 2H5* G 2 2H5* G 2 -1.195 -12.062 1.372 15 H4* G 2 H4* G 2 -3.142 -11.177 2.600 16 H3* G 2 H3* G 2 -2.147 -10.095 0.142 17 H1* G 2 H1* G 2 -3.881 -8.087 3.028 18 H8 G 2 H8 G 2 -0.108 -7.560 2.466 19 H1 G 2 H1 G 2 -3.074 -2.649 5.175 20 1H2 G 2 1H2 G 2 -5.943 -4.560 4.742 21 2H2 G 2 2H2 G 2 -5.243 -3.057 5.310 22 1H2* G 2 1H2* G 2 -1.942 -7.942 0.756 23 2H2* G 2 2H2* G 2 -3.767 -7.938 0.760 24 1H5* A 3 1H5* A 3 -6.549 -8.492 1.473 25 2H5* A 3 2H5* A 3 -7.449 -8.734 -0.037 26 H4* A 3 H4* A 3 -8.141 -6.637 0.945 27 H3* A 3 H3* A 3 -6.918 -6.810 -1.646 28 H1* A 3 H1* A 3 -6.683 -3.839 0.885 29 H8 A 3 H8 A 3 -3.451 -5.744 -0.074 30 1H6 A 3 1H6 A 3 -0.264 -2.603 1.662 31 2H6 A 3 2H6 A 3 -0.415 -1.054 2.467 32 H2 A 3 H2 A 3 -4.816 -0.210 2.824 33 1H2* A 3 1H2* A 3 -5.310 -5.259 -1.368 34 2H2* A 3 2H2* A 3 -6.688 -4.061 -1.386 35 1H5* C 4 1H5* C 4 -9.262 -2.726 -0.664 36 2H5* C 4 2H5* C 4 -10.119 -2.344 -2.170 37 H4* C 4 H4* C 4 -9.186 -0.310 -1.231 38 H3* C 4 H3* C 4 -8.505 -1.290 -3.853 39 H1* C 4 H1* C 4 -6.376 0.845 -1.429 40 1H4 C 4 1H4 C 4 -0.421 -1.105 -0.483 41 2H4 C 4 2H4 C 4 -0.751 -2.695 -1.152 42 H5 C 4 H5 C 4 -2.929 -3.345 -1.985 43 H6 C 4 H6 C 4 -5.234 -2.604 -2.353 44 1H2* C 4 1H2* C 4 -6.259 -1.197 -3.631 45 2H2* C 4 2H2* C 4 -6.500 0.602 -3.702 46 1H5* U25 5 1H5* U5P 5 -8.167 3.440 -2.488 47 2H5* U25 5 2H5* U5P 5 -8.487 4.361 -3.971 48 H4* U25 5 H4* U5P 5 -6.813 5.500 -2.590 49 H3* U25 5 H3* U5P 5 -5.951 4.321 -5.216 50 H2* U25 5 H2* U5P 5 -3.776 4.960 -4.930 51 H1* U25 5 H1* U5P 5 -3.641 4.805 -2.132 52 H3 U25 5 HN3 U5P 5 -0.446 1.823 -3.138 53 H5 U25 5 H5 U5P 5 -3.844 0.224 -5.032 54 H6 U25 5 H6 U5P 5 -5.072 2.203 -4.347 55 3HO* U25 5 *HO3 U5P 5 -5.857 6.655 -5.630 56 1H5* U25 6 1H5* U5P 6 -1.669 7.372 -2.610 57 2H5* U25 6 2H5* U5P 6 -1.307 8.935 -3.371 58 H4* U25 6 H4* U5P 6 0.777 7.870 -2.719 59 H3* U25 6 H3* U5P 6 0.143 8.647 -5.368 60 H2* U25 6 H2* U5P 6 0.340 6.680 -6.406 61 H1* U25 6 H1* U5P 6 2.241 5.473 -4.433 62 H3 U25 6 HN3 U5P 6 1.516 1.435 -6.211 63 H5 U25 6 H5 U5P 6 -2.163 3.376 -6.837 64 H6 U25 6 H6 U5P 6 -1.235 5.350 -5.743 65 3HO* U25 6 *HO3 U5P 6 2.708 8.502 -5.242 66 1H5* C25 7 1H5* C5P 7 3.985 4.386 -9.241 67 2H5* C25 7 2H5* C5P 7 3.860 3.095 -8.027 68 H4* C25 7 H4* C5P 7 6.167 3.494 -9.093 69 H3* C25 7 H3* C5P 7 5.446 2.823 -6.413 70 H2* C25 7 H2* C5P 7 6.370 4.530 -5.286 71 H1* C25 7 H1* C5P 7 8.306 5.396 -7.382 72 1H4 C25 7 1HN4 C5P 7 7.140 10.774 -4.183 73 2H4 C25 7 2HN4 C5P 7 5.474 10.315 -3.912 74 H5 C25 7 H5 C5P 7 4.530 8.237 -4.695 75 H6 C25 7 H6 C5P 7 4.979 6.183 -5.931 76 3HO* C25 7 *HO3 C5P 7 7.293 1.583 -6.588 77 1H5* G25 8 1H5* 5GP 8 8.806 5.277 -3.700 78 2H5* G25 8 2H5* 5GP 8 9.750 4.346 -2.501 79 H4* G25 8 H4* 5GP 8 8.656 6.381 -1.567 80 H3* G25 8 H3* 5GP 8 7.849 3.627 -0.704 81 H2* G25 8 H2* 5GP 8 6.114 4.331 0.615 82 H1* G25 8 H1* 5GP 8 5.239 6.499 -0.861 83 H8 G25 8 H8 5GP 8 6.159 2.980 -2.215 84 H1 G25 8 HN1 5GP 8 -0.079 4.148 -1.767 85 1H2 G25 8 1HN2 5GP 8 0.901 7.172 -0.399 86 2H2 G25 8 2HN2 5GP 8 -0.415 6.125 -0.880 87 3HO* G25 8 *HO3 5GP 8 8.928 5.854 0.720 88 1H5* G 9 1H5* G 9 4.184 8.084 0.905 89 2H5* G 9 2H5* G 9 4.571 8.519 2.595 90 H4* G 9 H4* G 9 2.183 8.879 1.981 91 H3* G 9 H3* G 9 3.124 7.420 4.212 92 H1* G 9 H1* G 9 -0.012 6.377 2.102 93 H8 G 9 H8 G 9 3.192 4.218 1.933 94 H1 G 9 H1 G 9 -2.102 1.366 -0.170 95 1H2 G 9 1H2 G 9 -3.627 4.406 0.554 96 2H2 G 9 2H2 G 9 -3.810 2.769 -0.044 97 1H2* G 9 1H2* G 9 2.311 5.384 3.698 98 2H2* G 9 2H2* G 9 0.725 6.097 4.241 99 1H5* T 10 1H5* T 10 -1.667 8.097 3.790 100 2H5* T 10 2H5* T 10 -2.107 8.703 5.398 101 H4* T 10 H4* T 10 -3.898 7.300 4.543 102 H3* T 10 H3* T 10 -2.509 6.763 6.998 103 1H2* T 10 1H2* T 10 -1.964 4.616 6.607 104 2H2* T 10 2H2* T 10 -3.748 4.298 6.819 105 H1* T 10 H1* T 10 -4.122 4.176 4.570 106 H3 T 10 H3 T 10 -2.261 0.366 3.130 107 1H5M T 10 1H5M T 10 2.021 1.709 4.214 108 2H5M T 10 2H5M T 10 1.675 2.764 5.605 109 3H5M T 10 3H5M T 10 1.864 3.464 3.984 110 H6 T 10 H6 T 10 -0.440 4.333 5.109 111 1H5* C 11 1H5* C 11 -6.722 4.592 6.150 112 2H5* C 11 2H5* C 11 -7.582 4.689 7.699 113 H4* C 11 H4* C 11 -8.026 2.542 6.652 114 H3* C 11 H3* C 11 -6.813 2.815 9.247 115 H1* C 11 H1* C 11 -6.311 -0.039 6.653 116 1H4 C 11 1H4 C 11 -0.241 -1.471 5.514 117 2H4 C 11 2H4 C 11 0.326 0.013 6.261 118 H5 C 11 H5 C 11 -1.169 1.657 7.227 119 H6 C 11 H6 C 11 -3.514 2.214 7.674 120 1H2* C 11 1H2* C 11 -5.057 1.450 8.935 121 2H2* C 11 2H2* C 11 -6.294 0.115 8.925 122 1H5* C 12 1H5* C 12 -8.819 -1.279 7.716 123 2H5* C 12 2H5* C 12 -9.814 -1.792 9.092 124 H4* C 12 H4* C 12 -8.944 -3.747 7.942 125 H3* C 12 H3* C 12 -8.443 -3.183 10.714 126 H1* C 12 H1* C 12 -6.120 -5.073 8.223 127 1H4 C 12 1H4 C 12 -0.169 -2.908 8.025 128 2H4 C 12 2H4 C 12 -0.581 -1.475 8.949 129 H5 C 12 H5 C 12 -2.821 -1.010 9.739 130 H6 C 12 H6 C 12 -5.127 -1.835 9.812 131 H3T C 12 H3T C 12 -8.579 -5.636 9.247 132 1H2* C 12 1H2* C 12 -6.216 -3.393 10.710 133 2H2* C 12 2H2* C 12 -6.536 -5.175 10.471 Start of MODEL 6 1 1H5* G 1 1H5* G 1 5.026 -11.479 6.085 2 2H5* G 1 2H5* G 1 5.537 -11.754 4.396 3 H4* G 1 H4* G 1 3.105 -12.137 4.812 4 H3* G 1 H3* G 1 4.231 -10.497 2.786 5 H1* G 1 H1* G 1 0.920 -9.716 4.714 6 H8 G 1 H8 G 1 3.978 -7.473 5.525 7 H1 G 1 H1 G 1 -1.715 -5.002 6.946 8 1H2 G 1 1H2 G 1 -2.948 -7.955 5.589 9 2H2 G 1 2H2 G 1 -3.313 -6.409 6.333 10 H5T G 1 H5T G 1 4.920 -9.195 5.486 11 1H2* G 1 1H2* G 1 3.306 -8.503 3.383 12 2H2* G 1 2H2* G 1 1.790 -9.225 2.670 13 1H5* G 2 1H5* G 2 -0.721 -11.443 2.924 14 2H5* G 2 2H5* G 2 -0.882 -11.952 1.222 15 H4* G 2 H4* G 2 -2.902 -10.831 2.046 16 H3* G 2 H3* G 2 -1.365 -9.891 -0.189 17 H1* G 2 H1* G 2 -3.439 -7.722 2.320 18 H8 G 2 H8 G 2 0.402 -7.362 2.325 19 H1 G 2 H1 G 2 -2.706 -2.425 4.824 20 1H2 G 2 1H2 G 2 -5.568 -4.185 3.957 21 2H2 G 2 2H2 G 2 -4.885 -2.736 4.668 22 1H2* G 2 1H2* G 2 -1.102 -7.752 0.450 23 2H2* G 2 2H2* G 2 -2.886 -7.599 0.114 24 1H5* A 3 1H5* A 3 -5.806 -8.416 0.663 25 2H5* A 3 2H5* A 3 -6.645 -8.522 -0.896 26 H4* A 3 H4* A 3 -7.496 -6.633 0.408 27 H3* A 3 H3* A 3 -6.428 -6.444 -2.237 28 H1* A 3 H1* A 3 -6.198 -3.703 0.558 29 H8 A 3 H8 A 3 -2.947 -5.404 -0.672 30 1H6 A 3 1H6 A 3 0.214 -2.377 1.293 31 2H6 A 3 2H6 A 3 0.054 -0.893 2.211 32 H2 A 3 H2 A 3 -4.355 -0.145 2.671 33 1H2* A 3 1H2* A 3 -4.886 -4.836 -1.883 34 2H2* A 3 2H2* A 3 -6.328 -3.731 -1.717 35 1H5* C 4 1H5* C 4 -9.042 -2.845 -0.465 36 2H5* C 4 2H5* C 4 -10.086 -2.285 -1.787 37 H4* C 4 H4* C 4 -9.295 -0.374 -0.493 38 H3* C 4 H3* C 4 -8.840 -0.698 -3.313 39 H1* C 4 H1* C 4 -6.612 1.135 -0.725 40 1H4 C 4 1H4 C 4 -0.449 -0.352 -0.843 41 2H4 C 4 2H4 C 4 -0.739 -1.768 -1.837 42 H5 C 4 H5 C 4 -2.937 -2.453 -2.554 43 H6 C 4 H6 C 4 -5.316 -1.901 -2.505 44 1H2* C 4 1H2* C 4 -6.610 -0.406 -3.302 45 2H2* C 4 2H2* C 4 -7.010 1.338 -2.967 46 1H5* U25 5 1H5* U5P 5 -8.260 3.796 -1.365 47 2H5* U25 5 2H5* U5P 5 -8.788 4.875 -2.671 48 H4* U25 5 H4* U5P 5 -6.783 5.783 -1.647 49 H3* U25 5 H3* U5P 5 -6.490 4.628 -4.408 50 H2* U25 5 H2* U5P 5 -4.261 5.091 -4.477 51 H1* U25 5 H1* U5P 5 -3.724 4.959 -1.700 52 H3 U25 5 HN3 U5P 5 -0.765 1.809 -2.855 53 H5 U25 5 H5 U5P 5 -4.260 0.537 -4.816 54 H6 U25 5 H6 U5P 5 -5.369 2.532 -3.990 55 3HO* U25 5 *HO3 U5P 5 -6.357 6.927 -4.827 56 1H5* U25 6 1H5* U5P 6 -1.819 7.567 -2.411 57 2H5* U25 6 2H5* U5P 6 -1.360 9.036 -3.297 58 H4* U25 6 H4* U5P 6 0.638 7.780 -2.670 59 H3* U25 6 H3* U5P 6 -0.040 8.551 -5.311 60 H2* U25 6 H2* U5P 6 -0.085 6.553 -6.305 61 H1* U25 6 H1* U5P 6 1.760 5.195 -4.377 62 H3 U25 6 HN3 U5P 6 0.524 1.214 -5.999 63 H5 U25 6 H5 U5P 6 -2.923 3.546 -6.603 64 H6 U25 6 H6 U5P 6 -1.757 5.424 -5.574 65 3HO* U25 6 *HO3 U5P 6 2.447 8.295 -5.388 66 1H5* C25 7 1H5* C5P 7 3.539 4.053 -9.233 67 2H5* C25 7 2H5* C5P 7 3.318 2.708 -8.095 68 H4* C25 7 H4* C5P 7 5.681 3.051 -9.001 69 H3* C25 7 H3* C5P 7 4.809 2.392 -6.364 70 H2* C25 7 H2* C5P 7 5.739 4.057 -5.184 71 H1* C25 7 H1* C5P 7 7.810 4.840 -7.185 72 1H4 C25 7 1HN4 C5P 7 6.793 10.258 -4.006 73 2H4 C25 7 2HN4 C5P 7 5.091 9.898 -3.832 74 H5 C25 7 H5 C5P 7 4.072 7.890 -4.690 75 H6 C25 7 H6 C5P 7 4.467 5.803 -5.895 76 3HO* C25 7 *HO3 C5P 7 6.020 1.016 -7.700 77 1H5* G25 8 1H5* 5GP 8 8.686 4.450 -3.703 78 2H5* G25 8 2H5* 5GP 8 9.456 3.558 -2.358 79 H4* G25 8 H4* 5GP 8 8.669 5.858 -1.758 80 H3* G25 8 H3* 5GP 8 7.474 3.395 -0.531 81 H2* G25 8 H2* 5GP 8 5.857 4.531 0.639 82 H1* G25 8 H1* 5GP 8 5.260 6.507 -1.169 83 H8 G25 8 H8 5GP 8 5.821 2.857 -2.264 84 H1 G25 8 HN1 5GP 8 -0.280 4.444 -1.423 85 1H2 G25 8 1HN2 5GP 8 1.002 7.437 -0.212 86 2H2 G25 8 2HN2 5GP 8 -0.415 6.475 -0.563 87 3HO* G25 8 *HO3 5GP 8 8.854 5.638 0.576 88 1H5* G 9 1H5* G 9 4.438 8.233 1.155 89 2H5* G 9 2H5* G 9 4.867 8.724 2.819 90 H4* G 9 H4* G 9 2.460 8.958 2.375 91 H3* G 9 H3* G 9 3.560 7.392 4.466 92 H1* G 9 H1* G 9 0.340 6.425 2.447 93 H8 G 9 H8 G 9 3.570 4.371 1.944 94 H1 G 9 H1 G 9 -1.798 1.439 0.174 95 1H2 G 9 1H2 G 9 -3.352 4.366 1.209 96 2H2 G 9 2H2 G 9 -3.534 2.762 0.530 97 1H2* G 9 1H2* G 9 2.730 5.379 3.901 98 2H2* G 9 2H2* G 9 1.162 6.050 4.540 99 1H5* T 10 1H5* T 10 -1.191 8.128 4.206 100 2H5* T 10 2H5* T 10 -1.619 8.643 5.849 101 H4* T 10 H4* T 10 -3.439 7.338 4.885 102 H3* T 10 H3* T 10 -2.099 6.661 7.331 103 1H2* T 10 1H2* T 10 -1.586 4.524 6.849 104 2H2* T 10 2H2* T 10 -3.376 4.227 7.022 105 H1* T 10 H1* T 10 -3.720 4.209 4.765 106 H3 T 10 H3 T 10 -1.896 0.452 3.137 107 1H5M T 10 1H5M T 10 2.274 3.404 4.172 108 2H5M T 10 2H5M T 10 2.387 1.643 4.387 109 3H5M T 10 3H5M T 10 2.047 2.692 5.784 110 H6 T 10 H6 T 10 -0.037 4.274 5.363 111 1H5* C 11 1H5* C 11 -6.288 4.921 6.141 112 2H5* C 11 2H5* C 11 -7.338 4.898 7.572 113 H4* C 11 H4* C 11 -7.798 2.966 6.147 114 H3* C 11 H3* C 11 -7.038 2.795 8.910 115 H1* C 11 H1* C 11 -6.282 0.227 6.089 116 1H4 C 11 1H4 C 11 -0.195 -1.520 5.751 117 2H4 C 11 2H4 C 11 0.319 -0.181 6.763 118 H5 C 11 H5 C 11 -1.218 1.453 7.674 119 H6 C 11 H6 C 11 -3.573 2.128 7.813 120 1H2* C 11 1H2* C 11 -5.342 1.333 8.707 121 2H2* C 11 2H2* C 11 -6.647 0.123 8.324 122 1H5* C 12 1H5* C 12 -8.944 -1.052 6.605 123 2H5* C 12 2H5* C 12 -10.172 -1.584 7.771 124 H4* C 12 H4* C 12 -9.203 -3.523 6.679 125 H3* C 12 H3* C 12 -9.128 -3.108 9.519 126 H1* C 12 H1* C 12 -6.500 -4.979 7.335 127 1H4 C 12 1H4 C 12 -0.522 -3.041 8.173 128 2H4 C 12 2H4 C 12 -1.029 -1.653 9.119 129 H5 C 12 H5 C 12 -3.347 -1.146 9.586 130 H6 C 12 H6 C 12 -5.658 -1.876 9.253 131 H3T C 12 H3T C 12 -9.129 -5.470 7.904 132 1H2* C 12 1H2* C 12 -6.937 -3.408 9.855 133 2H2* C 12 2H2* C 12 -7.273 -5.162 9.480 Start of MODEL 7 1 1H5* G 1 1H5* G 1 5.243 -11.254 5.117 2 2H5* G 1 2H5* G 1 5.626 -11.468 3.385 3 H4* G 1 H4* G 1 3.232 -11.872 3.965 4 H3* G 1 H3* G 1 4.199 -10.184 1.912 5 H1* G 1 H1* G 1 1.069 -9.406 4.114 6 H8 G 1 H8 G 1 4.174 -7.130 4.595 7 H1 G 1 H1 G 1 -1.269 -4.922 7.052 8 1H2 G 1 1H2 G 1 -2.610 -7.903 5.867 9 2H2 G 1 2H2 G 1 -2.897 -6.384 6.697 10 H5T G 1 H5T G 1 5.107 -8.955 4.627 11 1H2* G 1 1H2* G 1 3.408 -8.191 2.697 12 2H2* G 1 2H2* G 1 1.825 -8.812 2.042 13 1H5* G 2 1H5* G 2 -0.642 -11.377 2.675 14 2H5* G 2 2H5* G 2 -1.044 -11.786 0.985 15 H4* G 2 H4* G 2 -2.986 -10.951 2.254 16 H3* G 2 H3* G 2 -2.002 -9.770 -0.165 17 H1* G 2 H1* G 2 -3.730 -7.883 2.806 18 H8 G 2 H8 G 2 0.036 -7.316 2.233 19 H1 G 2 H1 G 2 -2.936 -2.499 5.101 20 1H2 G 2 1H2 G 2 -5.795 -4.424 4.655 21 2H2 G 2 2H2 G 2 -5.100 -2.930 5.254 22 1H2* G 2 1H2* G 2 -1.808 -7.642 0.528 23 2H2* G 2 2H2* G 2 -3.632 -7.651 0.547 24 1H5* A 3 1H5* A 3 -6.354 -8.305 1.346 25 2H5* A 3 2H5* A 3 -7.320 -8.510 -0.128 26 H4* A 3 H4* A 3 -8.046 -6.499 1.009 27 H3* A 3 H3* A 3 -6.992 -6.496 -1.656 28 H1* A 3 H1* A 3 -6.685 -3.630 0.991 29 H8 A 3 H8 A 3 -3.470 -5.438 -0.179 30 1H6 A 3 1H6 A 3 -0.257 -2.294 1.516 31 2H6 A 3 2H6 A 3 -0.400 -0.759 2.347 32 H2 A 3 H2 A 3 -4.796 0.022 2.862 33 1H2* A 3 1H2* A 3 -5.417 -4.904 -1.404 34 2H2* A 3 2H2* A 3 -6.832 -3.756 -1.281 35 1H5* C 4 1H5* C 4 -9.285 -2.500 -0.369 36 2H5* C 4 2H5* C 4 -10.263 -2.078 -1.788 37 H4* C 4 H4* C 4 -9.253 -0.064 -0.919 38 H3* C 4 H3* C 4 -8.719 -1.038 -3.578 39 H1* C 4 H1* C 4 -6.475 1.085 -1.264 40 1H4 C 4 1H4 C 4 -0.460 -0.809 -0.590 41 2H4 C 4 2H4 C 4 -0.802 -2.394 -1.264 42 H5 C 4 H5 C 4 -3.009 -3.060 -2.013 43 H6 C 4 H6 C 4 -5.337 -2.344 -2.273 44 1H2* C 4 1H2* C 4 -6.470 -0.957 -3.469 45 2H2* C 4 2H2* C 4 -6.701 0.845 -3.532 46 1H5* U25 5 1H5* U5P 5 -8.272 3.835 -2.427 47 2H5* U25 5 2H5* U5P 5 -8.700 4.603 -3.969 48 H4* U25 5 H4* U5P 5 -6.915 5.862 -2.882 49 H3* U25 5 H3* U5P 5 -6.275 4.336 -5.386 50 H2* U25 5 H2* U5P 5 -4.064 4.874 -5.331 51 H1* U25 5 H1* U5P 5 -3.719 5.121 -2.554 52 H3 U25 5 HN3 U5P 5 -0.771 1.802 -3.140 53 H5 U25 5 H5 U5P 5 -4.238 0.285 -4.978 54 H6 U25 5 H6 U5P 5 -5.340 2.387 -4.487 55 3HO* U25 5 *HO3 U5P 5 -7.573 6.231 -5.457 56 1H5* U25 6 1H5* U5P 6 -1.931 7.544 -3.199 57 2H5* U25 6 2H5* U5P 6 -1.442 8.977 -4.130 58 H4* U25 6 H4* U5P 6 0.516 7.948 -3.080 59 H3* U25 6 H3* U5P 6 0.233 8.491 -5.837 60 H2* U25 6 H2* U5P 6 0.432 6.425 -6.675 61 H1* U25 6 H1* U5P 6 2.053 5.308 -4.422 62 H3 U25 6 HN3 U5P 6 1.233 1.182 -5.952 63 H5 U25 6 H5 U5P 6 -2.254 3.269 -7.040 64 H6 U25 6 H6 U5P 6 -1.297 5.268 -6.025 65 3HO* U25 6 *HO3 U5P 6 2.775 8.175 -5.351 66 1H5* C25 7 1H5* C5P 7 4.320 3.882 -8.987 67 2H5* C25 7 2H5* C5P 7 3.831 2.620 -7.839 68 H4* C25 7 H4* C5P 7 6.322 2.756 -8.443 69 H3* C25 7 H3* C5P 7 5.051 2.206 -5.942 70 H2* C25 7 H2* C5P 7 5.977 3.786 -4.644 71 H1* C25 7 H1* C5P 7 8.337 4.372 -6.374 72 1H4 C25 7 1HN4 C5P 7 7.414 9.858 -3.300 73 2H4 C25 7 2HN4 C5P 7 5.678 9.699 -3.418 74 H5 C25 7 H5 C5P 7 4.591 7.811 -4.470 75 H6 C25 7 H6 C5P 7 4.955 5.672 -5.605 76 3HO* C25 7 *HO3 C5P 7 7.745 1.588 -6.590 77 1H5* G25 8 1H5* 5GP 8 8.813 3.894 -2.893 78 2H5* G25 8 2H5* 5GP 8 9.354 3.020 -1.428 79 H4* G25 8 H4* 5GP 8 8.677 5.386 -1.009 80 H3* G25 8 H3* 5GP 8 7.135 3.074 0.122 81 H2* G25 8 H2* 5GP 8 5.488 4.383 1.044 82 H1* G25 8 H1* 5GP 8 5.274 6.306 -0.895 83 H8 G25 8 H8 5GP 8 5.699 2.571 -1.749 84 H1 G25 8 HN1 5GP 8 -0.333 4.589 -1.832 85 1H2 G25 8 1HN2 5GP 8 0.988 7.569 -0.619 86 2H2 G25 8 2HN2 5GP 8 -0.433 6.677 -1.108 87 3HO* G25 8 *HO3 5GP 8 8.594 5.238 1.289 88 1H5* G 9 1H5* G 9 4.383 8.113 1.159 89 2H5* G 9 2H5* G 9 4.601 8.728 2.824 90 H4* G 9 H4* G 9 2.309 9.082 2.034 91 H3* G 9 H3* G 9 2.982 7.602 4.342 92 H1* G 9 H1* G 9 0.045 6.638 1.934 93 H8 G 9 H8 G 9 3.239 4.465 1.916 94 H1 G 9 H1 G 9 -2.043 1.565 -0.169 95 1H2 G 9 1H2 G 9 -3.560 4.623 0.495 96 2H2 G 9 2H2 G 9 -3.747 2.976 -0.077 97 1H2* G 9 1H2* G 9 2.175 5.596 3.749 98 2H2* G 9 2H2* G 9 0.560 6.340 4.136 99 1H5* T 10 1H5* T 10 -1.866 8.197 3.626 100 2H5* T 10 2H5* T 10 -2.287 8.842 5.225 101 H4* T 10 H4* T 10 -4.051 7.353 4.475 102 H3* T 10 H3* T 10 -2.562 6.947 6.893 103 1H2* T 10 1H2* T 10 -1.920 4.820 6.541 104 2H2* T 10 2H2* T 10 -3.675 4.417 6.827 105 H1* T 10 H1* T 10 -4.120 4.203 4.600 106 H3 T 10 H3 T 10 -2.106 0.528 3.052 107 1H5M T 10 1H5M T 10 1.732 3.097 5.546 108 2H5M T 10 2H5M T 10 1.913 3.721 3.895 109 3H5M T 10 3H5M T 10 2.116 1.987 4.209 110 H6 T 10 H6 T 10 -0.434 4.525 5.094 111 1H5* C 11 1H5* C 11 -6.728 4.651 6.224 112 2H5* C 11 2H5* C 11 -7.550 4.718 7.794 113 H4* C 11 H4* C 11 -7.965 2.568 6.740 114 H3* C 11 H3* C 11 -6.706 2.856 9.312 115 H1* C 11 H1* C 11 -6.200 0.029 6.693 116 1H4 C 11 1H4 C 11 -0.133 -1.293 5.422 117 2H4 C 11 2H4 C 11 0.427 0.195 6.167 118 H5 C 11 H5 C 11 -1.076 1.812 7.174 119 H6 C 11 H6 C 11 -3.422 2.326 7.674 120 1H2* C 11 1H2* C 11 -4.930 1.527 8.959 121 2H2* C 11 2H2* C 11 -6.142 0.169 8.964 122 1H5* C 12 1H5* C 12 -8.690 -1.239 7.766 123 2H5* C 12 2H5* C 12 -9.648 -1.791 9.153 124 H4* C 12 H4* C 12 -8.789 -3.712 7.936 125 H3* C 12 H3* C 12 -8.234 -3.210 10.709 126 H1* C 12 H1* C 12 -5.945 -5.019 8.126 127 1H4 C 12 1H4 C 12 -0.018 -2.784 7.876 128 2H4 C 12 2H4 C 12 -0.437 -1.366 8.819 129 H5 C 12 H5 C 12 -2.668 -0.942 9.651 130 H6 C 12 H6 C 12 -4.962 -1.797 9.748 131 H3T C 12 H3T C 12 -8.400 -5.614 9.166 132 1H2* C 12 1H2* C 12 -6.004 -3.397 10.651 133 2H2* C 12 2H2* C 12 -6.312 -5.175 10.380 Start of MODEL 8 1 1H5* G 1 1H5* G 1 4.739 -11.893 6.759 2 2H5* G 1 2H5* G 1 5.157 -12.279 5.065 3 H4* G 1 H4* G 1 2.746 -12.592 5.615 4 H3* G 1 H3* G 1 3.792 -11.076 3.457 5 H1* G 1 H1* G 1 0.601 -10.119 5.512 6 H8 G 1 H8 G 1 3.763 -7.967 6.115 7 H1 G 1 H1 G 1 -1.784 -5.145 7.456 8 1H2 G 1 1H2 G 1 -3.176 -8.118 6.318 9 2H2 G 1 2H2 G 1 -3.457 -6.512 6.963 10 H5T G 1 H5T G 1 4.626 -9.645 6.005 11 1H2* G 1 1H2* G 1 2.941 -9.035 4.003 12 2H2* G 1 2H2* G 1 1.375 -9.753 3.405 13 1H5* G 2 1H5* G 2 -1.193 -11.847 3.878 14 2H5* G 2 2H5* G 2 -1.401 -12.483 2.224 15 H4* G 2 H4* G 2 -3.379 -11.257 2.997 16 H3* G 2 H3* G 2 -1.866 -10.530 0.670 17 H1* G 2 H1* G 2 -3.839 -8.120 3.039 18 H8 G 2 H8 G 2 0.014 -7.875 2.963 19 H1 G 2 H1 G 2 -2.925 -2.649 5.055 20 1H2 G 2 1H2 G 2 -5.843 -4.416 4.396 21 2H2 G 2 2H2 G 2 -5.118 -2.925 4.966 22 1H2* G 2 1H2* G 2 -1.547 -8.353 1.129 23 2H2* G 2 2H2* G 2 -3.336 -8.188 0.819 24 1H5* A 3 1H5* A 3 -6.227 -8.757 1.341 25 2H5* A 3 2H5* A 3 -7.051 -8.965 -0.216 26 H4* A 3 H4* A 3 -7.770 -6.886 0.836 27 H3* A 3 H3* A 3 -6.570 -7.035 -1.766 28 H1* A 3 H1* A 3 -6.308 -4.085 0.788 29 H8 A 3 H8 A 3 -3.099 -6.046 -0.103 30 1H6 A 3 1H6 A 3 0.118 -2.880 1.512 31 2H6 A 3 2H6 A 3 -0.015 -1.288 2.234 32 H2 A 3 H2 A 3 -4.406 -0.362 2.513 33 1H2* A 3 1H2* A 3 -4.953 -5.493 -1.481 34 2H2* A 3 2H2* A 3 -6.324 -4.288 -1.487 35 1H5* C 4 1H5* C 4 -8.732 -3.225 -0.238 36 2H5* C 4 2H5* C 4 -9.833 -2.649 -1.502 37 H4* C 4 H4* C 4 -8.890 -0.738 -0.355 38 H3* C 4 H3* C 4 -8.536 -1.210 -3.170 39 H1* C 4 H1* C 4 -6.229 0.677 -0.730 40 1H4 C 4 1H4 C 4 -0.060 -0.763 -1.076 41 2H4 C 4 2H4 C 4 -0.394 -2.316 -1.817 42 H5 C 4 H5 C 4 -2.634 -3.101 -2.299 43 H6 C 4 H6 C 4 -5.020 -2.535 -2.199 44 1H2* C 4 1H2* C 4 -6.291 -1.002 -3.216 45 2H2* C 4 2H2* C 4 -6.629 0.772 -2.982 46 1H5* U25 5 1H5* U5P 5 -7.894 3.425 -1.128 47 2H5* U25 5 2H5* U5P 5 -8.677 4.339 -2.433 48 H4* U25 5 H4* U5P 5 -6.774 5.601 -1.580 49 H3* U25 5 H3* U5P 5 -6.629 4.427 -4.335 50 H2* U25 5 H2* U5P 5 -4.467 5.029 -4.679 51 H1* U25 5 H1* U5P 5 -3.545 5.048 -2.017 52 H3 U25 5 HN3 U5P 5 -0.651 1.938 -3.378 53 H5 U25 5 H5 U5P 5 -4.309 0.480 -4.867 54 H6 U25 5 H6 U5P 5 -5.390 2.455 -3.963 55 3HO* U25 5 *HO3 U5P 5 -6.654 7.090 -3.287 56 1H5* U25 6 1H5* U5P 6 -2.010 7.569 -2.570 57 2H5* U25 6 2H5* U5P 6 -1.736 9.095 -3.437 58 H4* U25 6 H4* U5P 6 0.396 8.089 -2.706 59 H3* U25 6 H3* U5P 6 -0.239 8.948 -5.312 60 H2* U25 6 H2* U5P 6 -0.085 7.008 -6.428 61 H1* U25 6 H1* U5P 6 1.869 5.706 -4.572 62 H3 U25 6 HN3 U5P 6 0.941 1.759 -6.482 63 H5 U25 6 H5 U5P 6 -2.725 3.805 -6.771 64 H6 U25 6 H6 U5P 6 -1.675 5.709 -5.674 65 3HO* U25 6 *HO3 U5P 6 2.339 8.735 -5.214 66 1H5* C25 7 1H5* C5P 7 3.422 4.836 -9.488 67 2H5* C25 7 2H5* C5P 7 3.187 3.488 -8.356 68 H4* C25 7 H4* C5P 7 5.521 3.774 -9.420 69 H3* C25 7 H3* C5P 7 4.751 2.935 -6.801 70 H2* C25 7 H2* C5P 7 5.831 4.449 -5.540 71 H1* C25 7 H1* C5P 7 7.829 5.307 -7.581 72 1H4 C25 7 1HN4 C5P 7 7.219 10.440 -3.875 73 2H4 C25 7 2HN4 C5P 7 5.506 10.164 -3.678 74 H5 C25 7 H5 C5P 7 4.339 8.303 -4.694 75 H6 C25 7 H6 C5P 7 4.590 6.313 -6.089 76 3HO* C25 7 *HO3 C5P 7 7.325 2.510 -7.885 77 1H5* G25 8 1H5* 5GP 8 8.688 4.761 -4.215 78 2H5* G25 8 2H5* 5GP 8 9.569 3.779 -3.007 79 H4* G25 8 H4* 5GP 8 8.803 5.986 -2.137 80 H3* G25 8 H3* 5GP 8 7.673 3.405 -1.107 81 H2* G25 8 H2* 5GP 8 6.112 4.407 0.257 82 H1* G25 8 H1* 5GP 8 5.403 6.534 -1.331 83 H8 G25 8 H8 5GP 8 5.988 2.968 -2.715 84 H1 G25 8 HN1 5GP 8 -0.132 4.483 -1.864 85 1H2 G25 8 1HN2 5GP 8 1.113 7.402 -0.463 86 2H2 G25 8 2HN2 5GP 8 -0.292 6.453 -0.893 87 3HO* G25 8 *HO3 5GP 8 9.091 5.532 0.168 88 1H5* G 9 1H5* G 9 4.571 8.275 0.705 89 2H5* G 9 2H5* G 9 5.024 8.644 2.394 90 H4* G 9 H4* G 9 2.610 9.010 1.902 91 H3* G 9 H3* G 9 3.657 7.458 4.013 92 H1* G 9 H1* G 9 0.456 6.429 1.973 93 H8 G 9 H8 G 9 3.756 4.503 1.408 94 H1 G 9 H1 G 9 -1.531 1.359 -0.278 95 1H2 G 9 1H2 G 9 -3.166 4.223 0.826 96 2H2 G 9 2H2 G 9 -3.307 2.616 0.138 97 1H2* G 9 1H2* G 9 2.861 5.430 3.436 98 2H2* G 9 2H2* G 9 1.284 6.086 4.070 99 1H5* T 10 1H5* T 10 -1.118 8.212 3.579 100 2H5* T 10 2H5* T 10 -1.574 8.749 5.206 101 H4* T 10 H4* T 10 -3.405 7.492 4.204 102 H3* T 10 H3* T 10 -2.139 6.777 6.684 103 1H2* T 10 1H2* T 10 -1.724 4.616 6.230 104 2H2* T 10 2H2* T 10 -3.531 4.409 6.355 105 H1* T 10 H1* T 10 -3.814 4.397 4.090 106 H3 T 10 H3 T 10 -2.173 0.423 2.804 107 1H5M T 10 1H5M T 10 1.937 2.688 5.097 108 2H5M T 10 2H5M T 10 2.101 3.386 3.470 109 3H5M T 10 3H5M T 10 2.195 1.624 3.693 110 H6 T 10 H6 T 10 -0.128 4.373 4.594 111 1H5* C 11 1H5* C 11 -6.344 4.963 5.579 112 2H5* C 11 2H5* C 11 -7.346 5.087 7.037 113 H4* C 11 H4* C 11 -7.848 3.016 5.859 114 H3* C 11 H3* C 11 -6.937 3.129 8.582 115 H1* C 11 H1* C 11 -6.355 0.291 5.989 116 1H4 C 11 1H4 C 11 -0.326 -1.626 5.628 117 2H4 C 11 2H4 C 11 0.261 -0.151 6.375 118 H5 C 11 H5 C 11 -1.204 1.637 7.100 119 H6 C 11 H6 C 11 -3.544 2.360 7.278 120 1H2* C 11 1H2* C 11 -5.258 1.641 8.430 121 2H2* C 11 2H2* C 11 -6.588 0.409 8.251 122 1H5* C 12 1H5* C 12 -8.957 -0.940 6.791 123 2H5* C 12 2H5* C 12 -10.148 -1.293 8.057 124 H4* C 12 H4* C 12 -9.284 -3.379 7.180 125 H3* C 12 H3* C 12 -9.034 -2.614 9.939 126 H1* C 12 H1* C 12 -6.598 -4.841 7.864 127 1H4 C 12 1H4 C 12 -0.520 -3.050 8.250 128 2H4 C 12 2H4 C 12 -0.948 -1.511 8.977 129 H5 C 12 H5 C 12 -3.230 -0.850 9.423 130 H6 C 12 H6 C 12 -5.577 -1.534 9.274 131 H3T C 12 H3T C 12 -10.457 -4.209 9.226 132 1H2* C 12 1H2* C 12 -6.841 -2.964 10.194 133 2H2* C 12 2H2* C 12 -7.257 -4.736 10.054 Start of MODEL 9 1 1H5* G 1 1H5* G 1 5.361 -10.999 5.605 2 2H5* G 1 2H5* G 1 5.829 -11.309 3.910 3 H4* G 1 H4* G 1 3.412 -11.688 4.383 4 H3* G 1 H3* G 1 4.475 -10.096 2.301 5 H1* G 1 H1* G 1 1.236 -9.233 4.306 6 H8 G 1 H8 G 1 4.281 -6.870 4.745 7 H1 G 1 H1 G 1 -1.222 -4.721 7.120 8 1H2 G 1 1H2 G 1 -2.484 -7.776 6.044 9 2H2 G 1 2H2 G 1 -2.811 -6.237 6.819 10 H5T G 1 H5T G 1 5.263 -8.735 5.000 11 1H2* G 1 1H2* G 1 3.641 -8.071 2.953 12 2H2* G 1 2H2* G 1 2.094 -8.730 2.248 13 1H5* G 2 1H5* G 2 -0.342 -11.329 2.865 14 2H5* G 2 2H5* G 2 -0.723 -11.780 1.181 15 H4* G 2 H4* G 2 -2.681 -10.922 2.417 16 H3* G 2 H3* G 2 -1.691 -9.806 -0.033 17 H1* G 2 H1* G 2 -3.456 -7.865 2.871 18 H8 G 2 H8 G 2 0.297 -7.229 2.296 19 H1 G 2 H1 G 2 -2.819 -2.429 5.035 20 1H2 G 2 1H2 G 2 -5.618 -4.447 4.627 21 2H2 G 2 2H2 G 2 -4.971 -2.918 5.191 22 1H2* G 2 1H2* G 2 -1.517 -7.660 0.604 23 2H2* G 2 2H2* G 2 -3.341 -7.680 0.606 24 1H5* A 3 1H5* A 3 -6.053 -8.296 1.482 25 2H5* A 3 2H5* A 3 -7.015 -8.535 0.012 26 H4* A 3 H4* A 3 -7.743 -6.502 1.104 27 H3* A 3 H3* A 3 -6.675 -6.555 -1.559 28 H1* A 3 H1* A 3 -6.420 -3.628 1.030 29 H8 A 3 H8 A 3 -3.178 -5.439 -0.062 30 1H6 A 3 1H6 A 3 0.001 -2.197 1.507 31 2H6 A 3 2H6 A 3 -0.155 -0.624 2.259 32 H2 A 3 H2 A 3 -4.567 0.155 2.700 33 1H2* A 3 1H2* A 3 -5.146 -4.917 -1.352 34 2H2* A 3 2H2* A 3 -6.587 -3.802 -1.234 35 1H5* C 4 1H5* C 4 -9.194 -2.636 -0.510 36 2H5* C 4 2H5* C 4 -10.139 -2.284 -1.971 37 H4* C 4 H4* C 4 -9.181 -0.226 -1.081 38 H3* C 4 H3* C 4 -8.699 -1.197 -3.745 39 H1* C 4 H1* C 4 -6.373 0.938 -1.506 40 1H4 C 4 1H4 C 4 -0.411 -1.103 -0.828 41 2H4 C 4 2H4 C 4 -0.788 -2.672 -1.511 42 H5 C 4 H5 C 4 -2.997 -3.274 -2.282 43 H6 C 4 H6 C 4 -5.304 -2.506 -2.549 44 1H2* C 4 1H2* C 4 -6.445 -1.114 -3.697 45 2H2* C 4 2H2* C 4 -6.679 0.687 -3.758 46 1H5* U25 5 1H5* U5P 5 -8.202 3.692 -2.565 47 2H5* U25 5 2H5* U5P 5 -8.646 4.456 -4.105 48 H4* U25 5 H4* U5P 5 -6.839 5.706 -3.039 49 H3* U25 5 H3* U5P 5 -6.270 4.193 -5.566 50 H2* U25 5 H2* U5P 5 -4.046 4.675 -5.550 51 H1* U25 5 H1* U5P 5 -3.643 4.940 -2.778 52 H3 U25 5 HN3 U5P 5 -0.755 1.568 -3.288 53 H5 U25 5 H5 U5P 5 -4.204 0.105 -5.205 54 H6 U25 5 H6 U5P 5 -5.289 2.221 -4.730 55 3HO* U25 5 *HO3 U5P 5 -6.309 6.968 -4.869 56 1H5* U25 6 1H5* U5P 6 -1.850 7.361 -3.320 57 2H5* U25 6 2H5* U5P 6 -1.347 8.766 -4.284 58 H4* U25 6 H4* U5P 6 0.575 7.759 -3.108 59 H3* U25 6 H3* U5P 6 0.419 8.340 -5.862 60 H2* U25 6 H2* U5P 6 0.640 6.282 -6.727 61 H1* U25 6 H1* U5P 6 2.182 5.123 -4.437 62 H3 U25 6 HN3 U5P 6 1.350 1.017 -6.022 63 H5 U25 6 H5 U5P 6 -2.080 3.158 -7.183 64 H6 U25 6 H6 U5P 6 -1.120 5.137 -6.135 65 3HO* U25 6 *HO3 U5P 6 2.929 8.043 -5.320 66 1H5* C25 7 1H5* C5P 7 4.563 3.639 -8.830 67 2H5* C25 7 2H5* C5P 7 4.034 2.433 -7.640 68 H4* C25 7 H4* C5P 7 6.544 2.525 -8.234 69 H3* C25 7 H3* C5P 7 5.226 1.990 -5.761 70 H2* C25 7 H2* C5P 7 6.120 3.584 -4.453 71 H1* C25 7 H1* C5P 7 8.531 4.139 -6.125 72 1H4 C25 7 1HN4 C5P 7 7.587 9.697 -3.196 73 2H4 C25 7 2HN4 C5P 7 5.851 9.519 -3.291 74 H5 C25 7 H5 C5P 7 4.768 7.591 -4.275 75 H6 C25 7 H6 C5P 7 5.140 5.438 -5.375 76 3HO* C25 7 *HO3 C5P 7 7.934 1.371 -6.320 77 1H5* G25 8 1H5* 5GP 8 8.834 3.719 -2.586 78 2H5* G25 8 2H5* 5GP 8 9.353 2.826 -1.124 79 H4* G25 8 H4* 5GP 8 8.615 5.165 -0.665 80 H3* G25 8 H3* 5GP 8 7.082 2.793 0.351 81 H2* G25 8 H2* 5GP 8 5.362 4.039 1.232 82 H1* G25 8 H1* 5GP 8 5.181 6.009 -0.672 83 H8 G25 8 H8 5GP 8 5.736 2.287 -1.550 84 H1 G25 8 HN1 5GP 8 -0.297 4.227 -2.066 85 1H2 G25 8 1HN2 5GP 8 0.879 7.205 -0.732 86 2H2 G25 8 2HN2 5GP 8 -0.486 6.295 -1.339 87 3HO* G25 8 *HO3 5GP 8 8.240 4.948 1.791 88 1H5* G 9 1H5* G 9 3.890 8.282 0.569 89 2H5* G 9 2H5* G 9 4.309 8.729 2.251 90 H4* G 9 H4* G 9 1.944 9.268 1.576 91 H3* G 9 H3* G 9 2.817 7.970 3.890 92 H1* G 9 H1* G 9 -0.319 6.687 1.901 93 H8 G 9 H8 G 9 2.971 4.659 1.829 94 H1 G 9 H1 G 9 -2.136 1.529 -0.342 95 1H2 G 9 1H2 G 9 -3.798 4.530 0.249 96 2H2 G 9 2H2 G 9 -3.900 2.869 -0.306 97 1H2* G 9 1H2* G 9 2.107 5.875 3.447 98 2H2* G 9 2H2* G 9 0.514 6.535 4.026 99 1H5* T 10 1H5* T 10 -1.954 8.427 3.527 100 2H5* T 10 2H5* T 10 -2.454 9.012 5.125 101 H4* T 10 H4* T 10 -4.097 7.427 4.273 102 H3* T 10 H3* T 10 -2.694 7.097 6.757 103 1H2* T 10 1H2* T 10 -1.935 5.004 6.426 104 2H2* T 10 2H2* T 10 -3.680 4.520 6.638 105 H1* T 10 H1* T 10 -4.032 4.318 4.390 106 H3 T 10 H3 T 10 -1.876 0.685 2.938 107 1H5M T 10 1H5M T 10 1.831 3.321 5.533 108 2H5M T 10 2H5M T 10 2.014 4.028 3.915 109 3H5M T 10 3H5M T 10 2.279 2.289 4.154 110 H6 T 10 H6 T 10 -0.374 4.731 5.016 111 1H5* C 11 1H5* C 11 -6.839 4.651 5.942 112 2H5* C 11 2H5* C 11 -7.680 4.774 7.500 113 H4* C 11 H4* C 11 -8.102 2.592 6.519 114 H3* C 11 H3* C 11 -6.866 2.962 9.087 115 H1* C 11 H1* C 11 -6.298 0.045 6.572 116 1H4 C 11 1H4 C 11 -0.204 -1.160 5.333 117 2H4 C 11 2H4 C 11 0.316 0.372 6.016 118 H5 C 11 H5 C 11 -1.224 1.980 6.972 119 H6 C 11 H6 C 11 -3.582 2.441 7.469 120 1H2* C 11 1H2* C 11 -5.067 1.650 8.785 121 2H2* C 11 2H2* C 11 -6.260 0.277 8.835 122 1H5* C 12 1H5* C 12 -8.760 -1.278 7.653 123 2H5* C 12 2H5* C 12 -9.708 -1.759 9.074 124 H4* C 12 H4* C 12 -8.806 -3.738 7.983 125 H3* C 12 H3* C 12 -8.267 -3.045 10.717 126 H1* C 12 H1* C 12 -5.923 -4.959 8.257 127 1H4 C 12 1H4 C 12 -0.074 -2.540 7.821 128 2H4 C 12 2H4 C 12 -0.537 -1.081 8.680 129 H5 C 12 H5 C 12 -2.774 -0.692 9.511 130 H6 C 12 H6 C 12 -5.035 -1.618 9.678 131 H3T C 12 H3T C 12 -8.588 -5.292 10.947 132 1H2* C 12 1H2* C 12 -6.032 -3.180 10.673 133 2H2* C 12 2H2* C 12 -6.295 -4.980 10.515 Start of MODEL 10 1 1H5* G 1 1H5* G 1 5.205 -11.705 6.413 2 2H5* G 1 2H5* G 1 5.599 -12.018 4.699 3 H4* G 1 H4* G 1 3.238 -12.530 5.301 4 H3* G 1 H3* G 1 4.095 -10.879 3.163 5 H1* G 1 H1* G 1 0.905 -10.212 5.339 6 H8 G 1 H8 G 1 3.941 -7.886 5.934 7 H1 G 1 H1 G 1 -1.735 -5.428 7.444 8 1H2 G 1 1H2 G 1 -3.333 -6.884 6.958 9 2H2 G 1 2H2 G 1 -2.972 -8.454 6.265 10 H5T G 1 H5T G 1 5.090 -9.649 4.483 11 1H2* G 1 1H2* G 1 3.117 -8.922 3.800 12 2H2* G 1 2H2* G 1 1.590 -9.737 3.223 13 1H5* G 2 1H5* G 2 -0.850 -11.931 3.626 14 2H5* G 2 2H5* G 2 -1.023 -12.534 1.954 15 H4* G 2 H4* G 2 -3.057 -11.415 2.706 16 H3* G 2 H3* G 2 -1.514 -10.495 0.466 17 H1* G 2 H1* G 2 -3.657 -8.322 2.903 18 H8 G 2 H8 G 2 0.176 -7.871 2.966 19 H1 G 2 H1 G 2 -3.129 -2.939 5.208 20 1H2 G 2 1H2 G 2 -5.299 -3.341 5.032 21 2H2 G 2 2H2 G 2 -5.912 -4.843 4.366 22 1H2* G 2 1H2* G 2 -1.297 -8.339 1.063 23 2H2* G 2 2H2* G 2 -3.081 -8.225 0.702 24 1H5* A 3 1H5* A 3 -5.999 -8.843 1.118 25 2H5* A 3 2H5* A 3 -6.720 -9.053 -0.488 26 H4* A 3 H4* A 3 -7.598 -7.032 0.532 27 H3* A 3 H3* A 3 -6.188 -7.059 -1.965 28 H1* A 3 H1* A 3 -6.265 -4.166 0.668 29 H8 A 3 H8 A 3 -2.917 -5.979 0.005 30 1H6 A 3 1H6 A 3 -0.215 -1.142 2.642 31 2H6 A 3 2H6 A 3 0.039 -2.710 1.906 32 H2 A 3 H2 A 3 -4.657 -0.402 2.596 33 1H2* A 3 1H2* A 3 -4.670 -5.456 -1.515 34 2H2* A 3 2H2* A 3 -6.090 -4.310 -1.605 35 1H5* C 4 1H5* C 4 -8.728 -3.189 -0.878 36 2H5* C 4 2H5* C 4 -9.665 -2.839 -2.344 37 H4* C 4 H4* C 4 -8.945 -0.748 -1.354 38 H3* C 4 H3* C 4 -8.197 -1.567 -4.011 39 H1* C 4 H1* C 4 -6.282 0.704 -1.550 40 1H4 C 4 1H4 C 4 -0.109 -0.538 -0.808 41 2H4 C 4 2H4 C 4 -0.281 -2.152 -1.474 42 H5 C 4 H5 C 4 -2.398 -3.062 -2.218 43 H6 C 4 H6 C 4 -4.790 -2.595 -2.509 44 1H2* C 4 1H2* C 4 -5.973 -1.286 -3.783 45 2H2* C 4 2H2* C 4 -6.373 0.486 -3.836 46 1H5* U25 5 1H5* U5P 5 -8.153 3.237 -2.519 47 2H5* U25 5 2H5* U5P 5 -8.658 4.045 -4.016 48 H4* U25 5 H4* U5P 5 -7.037 5.436 -2.847 49 H3* U25 5 H3* U5P 5 -6.201 4.122 -5.412 50 H2* U25 5 H2* U5P 5 -4.064 4.894 -5.293 51 H1* U25 5 H1* U5P 5 -3.780 5.044 -2.501 52 H3 U25 5 HN3 U5P 5 -0.446 2.152 -3.292 53 H5 U25 5 H5 U5P 5 -3.760 0.260 -5.067 54 H6 U25 5 H6 U5P 5 -5.090 2.206 -4.496 55 3HO* U25 5 *HO3 U5P 5 -7.708 5.871 -5.384 56 1H5* U25 6 1H5* U5P 6 -2.182 7.667 -3.008 57 2H5* U25 6 2H5* U5P 6 -1.915 9.186 -3.890 58 H4* U25 6 H4* U5P 6 0.191 8.410 -2.919 59 H3* U25 6 H3* U5P 6 -0.231 8.985 -5.651 60 H2* U25 6 H2* U5P 6 0.210 6.985 -6.555 61 H1* U25 6 H1* U5P 6 2.037 6.035 -4.384 62 H3 U25 6 HN3 U5P 6 1.712 1.874 -6.007 63 H5 U25 6 H5 U5P 6 -2.040 3.518 -6.959 64 H6 U25 6 H6 U5P 6 -1.326 5.596 -5.906 65 3HO* U25 6 *HO3 U5P 6 2.372 8.917 -5.139 66 1H5* C25 7 1H5* C5P 7 4.004 4.740 -9.017 67 2H5* C25 7 2H5* C5P 7 3.716 3.531 -7.750 68 H4* C25 7 H4* C5P 7 6.121 3.783 -8.683 69 H3* C25 7 H3* C5P 7 5.183 3.168 -6.054 70 H2* C25 7 H2* C5P 7 6.118 4.837 -4.875 71 H1* C25 7 H1* C5P 7 8.236 5.566 -6.847 72 1H4 C25 7 1HN4 C5P 7 7.254 11.040 -3.773 73 2H4 C25 7 2HN4 C5P 7 5.556 10.683 -3.555 74 H5 C25 7 H5 C5P 7 4.514 8.657 -4.370 75 H6 C25 7 H6 C5P 7 4.891 6.566 -5.570 76 3HO* C25 7 *HO3 C5P 7 7.847 2.739 -6.881 77 1H5* G25 8 1H5* 5GP 8 8.586 5.646 -3.239 78 2H5* G25 8 2H5* 5GP 8 9.411 4.721 -1.949 79 H4* G25 8 H4* 5GP 8 8.445 6.896 -1.179 80 H3* G25 8 H3* 5GP 8 7.419 4.253 -0.202 81 H2* G25 8 H2* 5GP 8 5.664 5.131 0.987 82 H1* G25 8 H1* 5GP 8 4.947 7.208 -0.673 83 H8 G25 8 H8 5GP 8 5.921 3.657 -1.877 84 H1 G25 8 HN1 5GP 8 -0.339 4.786 -1.795 85 1H2 G25 8 1HN2 5GP 8 -0.730 6.778 -0.926 86 2H2 G25 8 2HN2 5GP 8 0.553 7.825 -0.370 87 3HO* G25 8 *HO3 5GP 8 8.570 6.506 1.128 88 1H5* G 9 1H5* G 9 3.985 8.693 1.448 89 2H5* G 9 2H5* G 9 4.115 9.148 3.171 90 H4* G 9 H4* G 9 1.799 9.267 2.351 91 H3* G 9 H3* G 9 2.646 7.691 4.551 92 H1* G 9 H1* G 9 -0.149 6.625 2.017 93 H8 G 9 H8 G 9 3.252 4.802 1.916 94 H1 G 9 H1 G 9 -1.689 1.490 -0.372 95 1H2 G 9 1H2 G 9 -3.533 2.712 -0.232 96 2H2 G 9 2H2 G 9 -3.519 4.335 0.430 97 1H2* G 9 1H2* G 9 2.029 5.660 3.817 98 2H2* G 9 2H2* G 9 0.342 6.228 4.207 99 1H5* T 10 1H5* T 10 -2.131 7.945 3.645 100 2H5* T 10 2H5* T 10 -2.689 8.546 5.218 101 H4* T 10 H4* T 10 -4.362 7.051 4.274 102 H3* T 10 H3* T 10 -3.115 6.653 6.819 103 1H2* T 10 1H2* T 10 -2.371 4.550 6.508 104 2H2* T 10 2H2* T 10 -4.132 4.094 6.639 105 H1* T 10 H1* T 10 -4.376 3.883 4.380 106 H3 T 10 H3 T 10 -2.151 0.212 3.150 107 1H5M T 10 1H5M T 10 1.478 3.037 5.676 108 2H5M T 10 2H5M T 10 1.959 1.930 4.368 109 3H5M T 10 3H5M T 10 1.668 3.649 4.018 110 H6 T 10 H6 T 10 -0.743 4.369 5.072 111 1H5* C 11 1H5* C 11 -7.131 4.277 5.646 112 2H5* C 11 2H5* C 11 -8.142 4.383 7.101 113 H4* C 11 H4* C 11 -8.471 2.225 6.024 114 H3* C 11 H3* C 11 -7.553 2.532 8.731 115 H1* C 11 H1* C 11 -6.740 -0.344 6.249 116 1H4 C 11 1H4 C 11 -0.582 -1.736 5.827 117 2H4 C 11 2H4 C 11 -0.110 -0.214 6.562 118 H5 C 11 H5 C 11 -1.713 1.455 7.285 119 H6 C 11 H6 C 11 -4.102 1.987 7.469 120 1H2* C 11 1H2* C 11 -5.747 1.201 8.618 121 2H2* C 11 2H2* C 11 -6.956 -0.156 8.510 122 1H5* C 12 1H5* C 12 -9.269 -1.716 7.001 123 2H5* C 12 2H5* C 12 -10.381 -2.179 8.302 124 H4* C 12 H4* C 12 -9.383 -4.175 7.366 125 H3* C 12 H3* C 12 -9.094 -3.426 10.126 126 H1* C 12 H1* C 12 -6.594 -5.446 7.928 127 1H4 C 12 1H4 C 12 -0.630 -3.278 8.183 128 2H4 C 12 2H4 C 12 -1.141 -1.766 8.910 129 H5 C 12 H5 C 12 -3.449 -1.253 9.410 130 H6 C 12 H6 C 12 -5.750 -2.088 9.317 131 H3T C 12 H3T C 12 -10.423 -5.112 9.355 132 1H2* C 12 1H2* C 12 -6.873 -3.623 10.297 133 2H2* C 12 2H2* C 12 -7.170 -5.418 10.146
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