NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1505 | 1ao9 | 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' G5' 1 5.718 -8.067 -1.414 2 2H5* G 1 2H5' G5' 1 5.887 -9.065 0.042 3 H4* G 1 H4' G5' 1 7.593 -7.281 -0.045 4 H3* G 1 H3' G5' 1 5.981 -7.837 2.216 5 1H2* G 1 1H2' G5' 1 5.978 -5.213 2.994 6 2H2* G 1 2H2' G5' 1 4.671 -5.887 1.991 7 H1* G 1 H1' G5' 1 7.183 -4.443 1.043 8 H8 G 1 H8 G5' 1 3.392 -4.830 0.111 9 H1 G 1 H1 G5' 1 5.526 1.229 0.144 10 1H2 G 1 1H2 G5' 1 8.541 -0.196 1.261 11 2H2 G 1 2H2 G5' 1 7.672 1.274 0.871 12 H5T G 1 H5' G5' 1 4.192 -7.834 0.969 13 1H5* A 2 1H5' A 2 9.467 -4.668 2.715 14 2H5* A 2 2H5' A 2 10.288 -4.976 4.260 15 H4* A 2 H4' A 2 10.092 -2.582 3.828 16 H3* A 2 H3' A 2 9.058 -3.826 6.261 17 1H2* A 2 1H2' A 2 7.584 -1.544 6.599 18 2H2* A 2 2H2' A 2 6.924 -3.052 5.917 19 H1* A 2 H1' A 2 8.106 -0.698 4.383 20 H8 A 2 H8 A 2 5.170 -3.301 4.169 21 1H6 A 2 1H6 A 2 1.762 1.450 2.147 22 2H6 A 2 2H6 A 2 1.784 -0.265 2.497 23 H2 A 2 H2 A 2 5.796 3.025 3.237 24 1H5* G 3 1H5' G 3 10.274 0.742 5.986 25 2H5* G 3 2H5' G 3 11.077 1.196 7.503 26 H4* G 3 H4' G 3 9.754 3.036 6.651 27 H3* G 3 H3' G 3 9.412 1.983 9.321 28 1H2* G 3 1H2' G 3 6.886 3.007 9.371 29 2H2* G 3 2H2' G 3 7.225 1.313 8.931 30 H1* G 3 H1' G 3 6.971 3.689 7.038 31 H8 G 3 H8 G 3 5.902 -0.072 7.376 32 H1 G 3 H1 G 3 1.384 3.864 5.066 33 1H2 G 3 1H2 G 3 3.715 6.396 5.811 34 2H2 G 3 2H2 G 3 2.093 6.020 5.273 35 1H5* A 4 1H5' A 4 7.791 6.245 8.043 36 2H5* A 4 2H5' A 4 8.167 7.392 9.345 37 H4* A 4 H4' A 4 6.042 7.938 8.277 38 H3* A 4 H3' A 4 6.336 7.606 11.115 39 1H2* A 4 1H2' A 4 3.695 6.917 11.322 40 2H2* A 4 2H2' A 4 4.981 5.696 11.159 41 H1* A 4 H1' A 4 3.378 6.980 8.899 42 H8 A 4 H8 A 4 4.705 3.513 10.164 43 1H6 A 4 1H6 A 4 -0.523 1.193 7.795 44 2H6 A 4 2H6 A 4 0.979 0.818 8.616 45 H2 A 4 H2 A 4 -0.664 5.619 7.324 46 1H5* G 5 1H5' G 5 3.011 10.293 8.979 47 2H5* G 5 2H5' G 5 2.738 11.715 10.006 48 H4* G 5 H4' G 5 0.745 11.089 8.688 49 H3* G 5 H3' G 5 0.707 11.675 11.471 50 1H2* G 5 1H2' G 5 -1.308 9.942 11.934 51 2H2* G 5 2H2' G 5 0.395 9.454 12.116 52 H1* G 5 H1' G 5 -1.384 9.116 9.662 53 H8 G 5 H8 G 5 1.376 7.274 11.755 54 H1 G 5 H1 G 5 -3.299 3.496 9.513 55 1H2 G 5 1H2 G 5 -4.758 6.496 8.432 56 2H2 G 5 2H2 G 5 -4.945 4.765 8.618 57 1H5* A 6 1H5' A3' 6 -3.360 10.887 9.203 58 2H5* A 6 2H5' A3' 6 -4.527 12.133 9.693 59 H4* A 6 H4' A3' 6 -5.657 10.007 9.406 60 H3* A 6 H3' A3' 6 -5.830 11.530 11.832 61 1H2* A 6 1H2' A3' 6 -6.325 9.247 13.258 62 2H2* A 6 2H2' A3' 6 -4.664 9.901 13.099 63 H1* A 6 H1' A3' 6 -6.013 7.846 11.291 64 H8 A 6 H8 A3' 6 -2.716 8.496 13.335 65 1H6 A 6 1H6 A3' 6 -2.402 2.344 13.798 66 2H6 A 6 2H6 A3' 6 -1.653 3.869 14.228 67 H2 A 6 H2 A3' 6 -6.126 3.355 11.531 68 H3T A 6 3HO' A3' 6 -7.854 10.479 11.926 69 1H5* T 8 1H5' T5' 1 -7.162 -5.698 14.522 70 2H5* T 8 2H5' T5' 1 -7.758 -6.622 13.129 71 H4* T 8 H4' T5' 1 -8.695 -4.335 13.175 72 H3* T 8 H3' T5' 1 -7.432 -5.521 10.897 73 1H2* T 8 1H2' T5' 1 -6.740 -3.030 9.972 74 2H2* T 8 2H2' T5' 1 -5.622 -4.033 10.921 75 H1* T 8 H1' T5' 1 -7.584 -1.946 11.973 76 H3 T 8 H3 T5' 1 -4.452 1.399 12.342 77 1H5M T 8 1H5M T5' 1 -1.822 -3.316 12.671 78 2H5M T 8 2H5M T5' 1 -0.981 -1.759 12.631 79 3H5M T 8 3H5M T5' 1 -1.680 -2.346 14.155 80 H6 T 8 H6 T5' 1 -4.202 -3.390 12.629 81 H5T T 8 H5' T5' 1 -5.271 -5.263 13.297 82 1H5* C 9 1H5' C 2 -10.025 -1.552 10.423 83 2H5* C 9 2H5' C 2 -11.008 -1.728 8.955 84 H4* C 9 H4' C 2 -10.288 0.580 9.274 85 H3* C 9 H3' C 2 -9.875 -0.890 6.840 86 1H2* C 9 1H2' C 2 -7.768 0.787 6.229 87 2H2* C 9 2H2' C 2 -7.566 -0.812 6.969 88 H1* C 9 H1' C 2 -7.873 1.878 8.375 89 1H4 C 9 1H4 C 2 -1.705 -0.476 9.770 90 2H4 C 9 2H4 C 2 -1.645 1.269 9.902 91 H5 C 9 H5 C 2 -3.781 -1.685 9.174 92 H6 C 9 H6 C 2 -6.095 -1.418 8.605 93 1H5* T 10 1H5' T 3 -9.484 3.780 6.990 94 2H5* T 10 2H5' T 3 -10.161 4.514 5.521 95 H4* T 10 H4' T 3 -8.165 5.685 6.304 96 H3* T 10 H3' T 3 -8.448 4.668 3.595 97 1H2* T 10 1H2' T 3 -5.687 4.891 3.400 98 2H2* T 10 2H2' T 3 -6.543 3.366 3.720 99 H1* T 10 H1' T 3 -5.458 5.352 5.760 100 H3 T 10 H3 T 3 -1.607 3.051 6.603 101 1H5M T 10 1H5M T 3 -4.121 -0.687 4.454 102 2H5M T 10 2H5M T 3 -3.845 -1.069 6.165 103 3H5M T 10 3H5M T 3 -5.464 -0.606 5.614 104 H6 T 10 H6 T 3 -5.979 1.693 5.176 105 1H5* C 11 1H5' C 4 -5.805 8.328 4.934 106 2H5* C 11 2H5' C 4 -5.813 9.583 3.679 107 H4* C 11 H4' C 4 -3.686 9.471 4.924 108 H3* C 11 H3' C 4 -3.894 9.505 2.058 109 1H2* C 11 1H2' C 4 -1.441 8.253 1.902 110 2H2* C 11 2H2' C 4 -2.992 7.396 1.781 111 H1* C 11 H1' C 4 -1.336 7.918 4.287 112 1H4 C 11 1H4 C 4 -1.406 1.276 3.070 113 2H4 C 11 2H4 C 4 0.072 1.653 3.934 114 H5 C 11 H5 C 4 -3.090 3.026 2.524 115 H6 C 11 H6 C 4 -3.581 5.374 2.679 116 1H5* T 12 1H5' T 5 0.154 10.421 4.295 117 2H5* T 12 2H5' T 5 1.017 11.741 3.477 118 H4* T 12 H4' T 5 2.551 10.011 4.344 119 H3* T 12 H3' T 5 2.536 10.905 1.566 120 1H2* T 12 1H2' T 5 3.989 8.591 1.047 121 2H2* T 12 2H2' T 5 2.246 8.769 0.742 122 H1* T 12 H1' T 5 3.576 7.747 3.288 123 H3 T 12 H3 T 5 3.108 3.345 2.161 124 1H5M T 12 1H5M T 5 -1.351 5.903 0.492 125 2H5M T 12 2H5M T 5 -0.436 5.207 -0.861 126 3H5M T 12 3H5M T 5 -1.170 4.146 0.357 127 H6 T 12 H6 T 5 0.504 7.263 1.217 128 1H5* C 13 1H5' C3' 6 6.265 8.970 3.674 129 2H5* C 13 2H5' C3' 6 7.747 9.808 3.167 130 H4* C 13 H4' C3' 6 8.114 7.387 3.453 131 H3* C 13 H3' C3' 6 8.760 8.816 0.989 132 1H2* C 13 1H2' C3' 6 8.843 6.312 -0.186 133 2H2* C 13 2H2' C3' 6 7.445 7.419 -0.328 134 H1* C 13 H1' C3' 6 7.891 5.272 1.793 135 1H4 C 13 1H4 C3' 6 2.429 3.539 -1.746 136 2H4 C 13 2H4 C3' 6 3.260 2.066 -1.286 137 H5 C 13 H5 C3' 6 3.336 5.788 -1.202 138 H6 C 13 H6 C3' 6 5.124 6.953 -0.081 139 H3T C 13 3HO' C3' 6 10.231 7.922 2.524 Start of MODEL 2 1 1H5* G 1 1H5' G5' 1 5.766 -7.771 -1.556 2 2H5* G 1 2H5' G5' 1 5.968 -8.845 -0.157 3 H4* G 1 H4' G5' 1 7.615 -7.002 -0.135 4 H3* G 1 H3' G5' 1 5.977 -7.720 2.079 5 1H2* G 1 1H2' G5' 1 5.986 -5.140 3.009 6 2H2* G 1 2H2' G5' 1 4.676 -5.764 1.976 7 H1* G 1 H1' G5' 1 7.186 -4.278 1.086 8 H8 G 1 H8 G5' 1 3.389 -4.585 0.154 9 H1 G 1 H1 G5' 1 5.577 1.443 0.480 10 1H2 G 1 1H2 G5' 1 8.555 -0.049 1.600 11 2H2 G 1 2H2 G5' 1 7.702 1.441 1.257 12 H5T G 1 H5' G5' 1 4.088 -6.729 -0.375 13 1H5* A 2 1H5' A 2 9.471 -4.576 2.792 14 2H5* A 2 2H5' A 2 10.292 -5.022 4.303 15 H4* A 2 H4' A 2 10.120 -2.600 4.115 16 H3* A 2 H3' A 2 9.053 -4.076 6.382 17 1H2* A 2 1H2' A 2 7.506 -1.848 6.913 18 2H2* A 2 2H2' A 2 6.900 -3.282 6.049 19 H1* A 2 H1' A 2 8.121 -0.772 4.819 20 H8 A 2 H8 A 2 5.173 -3.321 4.329 21 1H6 A 2 1H6 A 2 1.898 1.528 2.375 22 2H6 A 2 2H6 A 2 1.892 -0.194 2.696 23 H2 A 2 H2 A 2 5.901 3.035 3.712 24 1H5* G 3 1H5' G 3 10.113 0.454 6.519 25 2H5* G 3 2H5' G 3 10.815 0.910 8.084 26 H4* G 3 H4' G 3 9.369 2.655 7.187 27 H3* G 3 H3' G 3 9.062 1.585 9.856 28 1H2* G 3 1H2' G 3 6.461 2.332 9.869 29 2H2* G 3 2H2' G 3 6.976 0.694 9.401 30 H1* G 3 H1' G 3 6.537 3.069 7.540 31 H8 G 3 H8 G 3 5.684 -0.738 7.978 32 H1 G 3 H1 G 3 1.069 2.818 5.281 33 1H2 G 3 1H2 G 3 3.317 5.483 5.785 34 2H2 G 3 2H2 G 3 1.728 4.990 5.239 35 1H5* A 4 1H5' A 4 7.546 5.845 8.389 36 2H5* A 4 2H5' A 4 7.885 6.996 9.697 37 H4* A 4 H4' A 4 5.928 7.671 8.390 38 H3* A 4 H3' A 4 5.964 7.504 11.226 39 1H2* A 4 1H2' A 4 3.296 6.872 11.314 40 2H2* A 4 2H2' A 4 4.556 5.612 11.283 41 H1* A 4 H1' A 4 3.098 6.823 8.889 42 H8 A 4 H8 A 4 4.380 3.392 10.275 43 1H6 A 4 1H6 A 4 -0.908 1.065 8.012 44 2H6 A 4 2H6 A 4 0.581 0.693 8.855 45 H2 A 4 H2 A 4 -0.951 5.464 7.340 46 1H5* G 5 1H5' G 5 2.822 10.129 8.731 47 2H5* G 5 2H5' G 5 2.562 11.624 9.652 48 H4* G 5 H4' G 5 0.613 10.993 8.270 49 H3* G 5 H3' G 5 0.453 11.789 10.990 50 1H2* G 5 1H2' G 5 -1.624 10.158 11.503 51 2H2* G 5 2H2' G 5 0.053 9.631 11.786 52 H1* G 5 H1' G 5 -1.650 9.161 9.300 53 H8 G 5 H8 G 5 0.984 7.404 11.616 54 H1 G 5 H1 G 5 -3.768 3.618 9.559 55 1H2 G 5 1H2 G 5 -5.097 6.573 8.216 56 2H2 G 5 2H2 G 5 -5.345 4.867 8.524 57 1H5* A 6 1H5' A3' 6 -3.540 10.921 8.608 58 2H5* A 6 2H5' A3' 6 -4.676 12.245 8.936 59 H4* A 6 H4' A3' 6 -5.878 10.146 8.773 60 H3* A 6 H3' A3' 6 -6.093 11.871 11.061 61 1H2* A 6 1H2' A3' 6 -6.751 9.733 12.634 62 2H2* A 6 2H2' A3' 6 -5.057 10.308 12.508 63 H1* A 6 H1' A3' 6 -6.405 8.162 10.807 64 H8 A 6 H8 A3' 6 -3.159 8.861 12.915 65 1H6 A 6 1H6 A3' 6 -3.083 2.760 13.874 66 2H6 A 6 2H6 A3' 6 -2.296 4.290 14.210 67 H2 A 6 H2 A3' 6 -6.706 3.711 11.421 68 H3T A 6 3HO' A3' 6 -7.784 11.177 9.660 69 1H5* T 8 1H5' T5' 1 -8.038 -5.116 14.874 70 2H5* T 8 2H5' T5' 1 -8.585 -6.127 13.521 71 H4* T 8 H4' T5' 1 -9.479 -3.827 13.363 72 H3* T 8 H3' T5' 1 -8.127 -5.190 11.238 73 1H2* T 8 1H2' T5' 1 -7.365 -2.773 10.174 74 2H2* T 8 2H2' T5' 1 -6.303 -3.726 11.234 75 H1* T 8 H1' T5' 1 -8.269 -1.542 12.058 76 H3 T 8 H3 T5' 1 -5.092 1.767 12.372 77 1H5M T 8 1H5M T5' 1 -2.573 -2.965 13.097 78 2H5M T 8 2H5M T5' 1 -1.699 -1.429 12.996 79 3H5M T 8 3H5M T5' 1 -2.473 -1.906 14.522 80 H6 T 8 H6 T5' 1 -4.948 -3.000 12.952 81 H5T T 8 H5' T5' 1 -6.084 -4.798 13.716 82 1H5* C 9 1H5' C 2 -10.634 -1.243 10.354 83 2H5* C 9 2H5' C 2 -11.535 -1.495 8.844 84 H4* C 9 H4' C 2 -10.776 0.812 9.059 85 H3* C 9 H3' C 2 -10.247 -0.826 6.753 86 1H2* C 9 1H2' C 2 -8.093 0.802 6.164 87 2H2* C 9 2H2' C 2 -7.955 -0.759 6.993 88 H1* C 9 H1' C 2 -8.287 2.008 8.237 89 1H4 C 9 1H4 C 2 -2.226 -0.359 10.025 90 2H4 C 9 2H4 C 2 -2.149 1.390 10.081 91 H5 C 9 H5 C 2 -4.298 -1.568 9.410 92 H6 C 9 H6 C 2 -6.579 -1.300 8.727 93 1H5* T 10 1H5' T 3 -9.803 3.813 6.613 94 2H5* T 10 2H5' T 3 -10.328 4.485 5.056 95 H4* T 10 H4' T 3 -8.353 5.610 5.967 96 H3* T 10 H3' T 3 -8.461 4.520 3.272 97 1H2* T 10 1H2' T 3 -5.694 4.629 3.285 98 2H2* T 10 2H2' T 3 -6.632 3.149 3.586 99 H1* T 10 H1' T 3 -5.632 5.162 5.640 100 H3 T 10 H3 T 3 -1.938 2.785 6.831 101 1H5M T 10 1H5M T 3 -4.380 -0.965 4.622 102 2H5M T 10 2H5M T 3 -4.263 -1.280 6.365 103 3H5M T 10 3H5M T 3 -5.812 -0.794 5.658 104 H6 T 10 H6 T 3 -6.227 1.501 5.131 105 1H5* C 11 1H5' C 4 -5.879 8.228 4.723 106 2H5* C 11 2H5' C 4 -5.858 9.428 3.415 107 H4* C 11 H4' C 4 -3.812 9.502 4.763 108 H3* C 11 H3' C 4 -3.847 9.331 1.905 109 1H2* C 11 1H2' C 4 -1.387 8.102 1.933 110 2H2* C 11 2H2' C 4 -2.914 7.185 1.868 111 H1* C 11 H1' C 4 -1.367 8.014 4.360 112 1H4 C 11 1H4 C 4 0.617 1.885 4.004 113 2H4 C 11 2H4 C 4 -1.000 1.318 3.865 114 H5 C 11 H5 C 4 -2.832 2.897 3.035 115 H6 C 11 H6 C 4 -3.500 5.217 3.076 116 1H5* T 12 1H5' T 5 0.103 10.517 4.264 117 2H5* T 12 2H5' T 5 0.903 11.842 3.393 118 H4* T 12 H4' T 5 2.514 10.291 4.445 119 H3* T 12 H3' T 5 2.612 11.094 1.670 120 1H2* T 12 1H2' T 5 4.089 8.809 1.168 121 2H2* T 12 2H2' T 5 2.340 8.927 0.882 122 H1* T 12 H1' T 5 3.734 7.986 3.428 123 H3 T 12 H3 T 5 3.290 3.506 2.534 124 1H5M T 12 1H5M T 5 -0.143 5.020 -0.702 125 2H5M T 12 2H5M T 5 -0.990 4.301 0.683 126 3H5M T 12 3H5M T 5 -1.024 6.055 0.440 127 H6 T 12 H6 T 5 0.721 7.377 1.310 128 1H5* C 13 1H5' C3' 6 6.276 9.237 3.965 129 2H5* C 13 2H5' C3' 6 7.784 10.043 3.484 130 H4* C 13 H4' C3' 6 8.093 7.621 3.879 131 H3* C 13 H3' C3' 6 8.896 8.963 1.412 132 1H2* C 13 1H2' C3' 6 9.015 6.413 0.334 133 2H2* C 13 2H2' C3' 6 7.655 7.541 0.062 134 H1* C 13 H1' C3' 6 7.910 5.449 2.268 135 1H4 C 13 1H4 C3' 6 2.655 3.798 -1.617 136 2H4 C 13 2H4 C3' 6 3.410 2.311 -1.079 137 H5 C 13 H5 C3' 6 3.570 6.030 -1.023 138 H6 C 13 H6 C3' 6 5.313 7.163 0.197 139 H3T C 13 3HO' C3' 6 9.828 6.641 2.772 Start of MODEL 3 1 1H5* G 1 1H5' G5' 1 6.300 -8.431 -0.640 2 2H5* G 1 2H5' G5' 1 6.574 -9.306 0.882 3 H4* G 1 H4' G5' 1 8.024 -7.317 0.747 4 H3* G 1 H3' G5' 1 6.250 -7.880 2.940 5 1H2* G 1 1H2' G5' 1 6.263 -5.196 3.552 6 2H2* G 1 2H2' G5' 1 4.962 -5.963 2.601 7 H1* G 1 H1' G5' 1 7.456 -4.583 1.529 8 H8 G 1 H8 G5' 1 3.664 -5.060 0.661 9 H1 G 1 H1 G5' 1 5.728 1.011 0.448 10 1H2 G 1 1H2 G5' 1 8.782 -0.306 1.518 11 2H2 G 1 2H2 G5' 1 7.867 1.119 1.074 12 H5T G 1 H5' G5' 1 4.350 -9.020 0.411 13 1H5* A 2 1H5' A 2 9.679 -4.671 3.364 14 2H5* A 2 2H5' A 2 10.447 -4.911 4.949 15 H4* A 2 H4' A 2 10.362 -2.546 4.400 16 H3* A 2 H3' A 2 9.212 -3.642 6.825 17 1H2* A 2 1H2' A 2 7.720 -1.354 7.018 18 2H2* A 2 2H2' A 2 7.083 -2.887 6.363 19 H1* A 2 H1' A 2 8.297 -0.576 4.802 20 H8 A 2 H8 A 2 5.416 -3.239 4.619 21 1H6 A 2 1H6 A 2 1.942 1.421 2.491 22 2H6 A 2 2H6 A 2 1.974 -0.286 2.878 23 H2 A 2 H2 A 2 5.997 3.035 3.417 24 1H5* G 3 1H5' G 3 10.299 0.929 6.379 25 2H5* G 3 2H5' G 3 11.057 1.445 7.901 26 H4* G 3 H4' G 3 9.727 3.252 6.990 27 H3* G 3 H3' G 3 9.316 2.198 9.647 28 1H2* G 3 1H2' G 3 6.784 3.222 9.601 29 2H2* G 3 2H2' G 3 7.136 1.516 9.207 30 H1* G 3 H1' G 3 6.917 3.844 7.262 31 H8 G 3 H8 G 3 5.915 0.063 7.633 32 H1 G 3 H1 G 3 1.387 3.897 5.192 33 1H2 G 3 1H2 G 3 3.682 6.466 5.783 34 2H2 G 3 2H2 G 3 2.083 6.022 5.227 35 1H5* A 4 1H5' A 4 7.654 6.376 8.289 36 2H5* A 4 2H5' A 4 7.942 7.540 9.600 37 H4* A 4 H4' A 4 5.850 8.038 8.451 38 H3* A 4 H3' A 4 6.047 7.672 11.292 39 1H2* A 4 1H2' A 4 3.396 6.974 11.370 40 2H2* A 4 2H2' A 4 4.692 5.749 11.274 41 H1* A 4 H1' A 4 3.192 7.014 8.946 42 H8 A 4 H8 A 4 4.512 3.541 10.226 43 1H6 A 4 1H6 A 4 -0.765 1.275 7.904 44 2H6 A 4 2H6 A 4 0.732 0.875 8.719 45 H2 A 4 H2 A 4 -0.800 5.693 7.338 46 1H5* G 5 1H5' G 5 2.807 10.395 9.098 47 2H5* G 5 2H5' G 5 2.510 11.789 10.160 48 H4* G 5 H4' G 5 0.542 11.231 8.761 49 H3* G 5 H3' G 5 0.466 11.702 11.564 50 1H2* G 5 1H2' G 5 -1.624 10.010 11.884 51 2H2* G 5 2H2' G 5 0.059 9.472 12.121 52 H1* G 5 H1' G 5 -1.622 9.244 9.593 53 H8 G 5 H8 G 5 1.062 7.330 11.720 54 H1 G 5 H1 G 5 -3.642 3.676 9.350 55 1H2 G 5 1H2 G 5 -4.973 6.670 8.160 56 2H2 G 5 2H2 G 5 -5.165 4.938 8.330 57 1H5* A 6 1H5' A3' 6 -3.529 11.037 9.215 58 2H5* A 6 2H5' A3' 6 -4.707 12.262 9.734 59 H4* A 6 H4' A3' 6 -5.830 10.155 9.334 60 H3* A 6 H3' A3' 6 -6.010 11.564 11.831 61 1H2* A 6 1H2' A3' 6 -6.642 9.214 13.088 62 2H2* A 6 2H2' A3' 6 -4.966 9.853 13.061 63 H1* A 6 H1' A3' 6 -6.242 7.910 11.088 64 H8 A 6 H8 A3' 6 -2.952 8.402 13.201 65 1H6 A 6 1H6 A3' 6 -2.227 3.714 14.195 66 2H6 A 6 2H6 A3' 6 -3.071 2.243 13.758 67 H2 A 6 H2 A3' 6 -6.585 3.478 11.273 68 H3T A 6 3HO' A3' 6 -7.715 11.042 10.362 69 1H5* T 8 1H5' T5' 1 -7.795 -5.881 13.855 70 2H5* T 8 2H5' T5' 1 -8.371 -6.720 12.398 71 H4* T 8 H4' T5' 1 -9.338 -4.459 12.536 72 H3* T 8 H3' T5' 1 -7.946 -5.479 10.259 73 1H2* T 8 1H2' T5' 1 -7.267 -2.924 9.521 74 2H2* T 8 2H2' T5' 1 -6.165 -3.958 10.467 75 H1* T 8 H1' T5' 1 -8.211 -1.979 11.551 76 H3 T 8 H3 T5' 1 -5.127 1.360 12.075 77 1H5M T 8 1H5M T5' 1 -2.554 -3.385 12.554 78 2H5M T 8 2H5M T5' 1 -1.674 -1.866 12.298 79 3H5M T 8 3H5M T5' 1 -2.317 -2.259 13.909 80 H6 T 8 H6 T5' 1 -4.865 -3.429 12.310 81 H5T T 8 H5' T5' 1 -6.109 -6.920 12.701 82 1H5* C 9 1H5' C 2 -10.450 -1.442 9.855 83 2H5* C 9 2H5' C 2 -11.354 -1.572 8.331 84 H4* C 9 H4' C 2 -10.649 0.723 8.701 85 H3* C 9 H3' C 2 -10.025 -0.761 6.317 86 1H2* C 9 1H2' C 2 -7.931 0.990 5.867 87 2H2* C 9 2H2' C 2 -7.728 -0.616 6.603 88 H1* C 9 H1' C 2 -8.180 2.040 8.019 89 1H4 C 9 1H4 C 2 -2.090 -0.309 9.638 90 2H4 C 9 2H4 C 2 -1.997 1.438 9.686 91 H5 C 9 H5 C 2 -4.152 -1.518 9.033 92 H6 C 9 H6 C 2 -6.453 -1.255 8.391 93 1H5* T 10 1H5' T 3 -9.668 3.886 6.496 94 2H5* T 10 2H5' T 3 -10.266 4.606 4.985 95 H4* T 10 H4' T 3 -8.337 5.825 5.863 96 H3* T 10 H3' T 3 -8.423 4.699 3.173 97 1H2* T 10 1H2' T 3 -5.672 5.155 3.172 98 2H2* T 10 2H2' T 3 -6.437 3.564 3.401 99 H1* T 10 H1' T 3 -5.594 5.544 5.544 100 H3 T 10 H3 T 3 -1.731 3.324 6.449 101 1H5M T 10 1H5M T 3 -4.163 -0.488 4.336 102 2H5M T 10 2H5M T 3 -3.920 -0.816 6.066 103 3H5M T 10 3H5M T 3 -5.530 -0.375 5.466 104 H6 T 10 H6 T 3 -6.058 1.888 4.969 105 1H5* C 11 1H5' C 4 -5.869 8.348 4.488 106 2H5* C 11 2H5' C 4 -5.784 9.584 3.212 107 H4* C 11 H4' C 4 -3.650 9.360 4.465 108 H3* C 11 H3' C 4 -3.875 9.174 1.562 109 1H2* C 11 1H2' C 4 -1.312 8.081 1.699 110 2H2* C 11 2H2' C 4 -2.804 7.134 1.472 111 H1* C 11 H1' C 4 -1.452 7.840 4.104 112 1H4 C 11 1H4 C 4 -1.158 1.197 3.051 113 2H4 C 11 2H4 C 4 0.294 1.654 3.917 114 H5 C 11 H5 C 4 -2.888 2.842 2.396 115 H6 C 11 H6 C 4 -3.491 5.175 2.455 116 1H5* T 12 1H5' T 5 0.014 10.339 3.849 117 2H5* T 12 2H5' T 5 0.867 11.644 2.993 118 H4* T 12 H4' T 5 2.446 10.037 3.995 119 H3* T 12 H3' T 5 2.445 10.747 1.172 120 1H2* T 12 1H2' T 5 3.997 8.473 0.819 121 2H2* T 12 2H2' T 5 2.247 8.545 0.482 122 H1* T 12 H1' T 5 3.580 7.752 3.099 123 H3 T 12 H3 T 5 3.334 3.285 2.270 124 1H5M T 12 1H5M T 5 -0.891 3.769 0.284 125 2H5M T 12 2H5M T 5 -1.161 5.523 0.319 126 3H5M T 12 3H5M T 5 -0.187 4.801 -0.981 127 H6 T 12 H6 T 5 0.597 7.008 0.986 128 1H5* C 13 1H5' C3' 6 6.174 9.015 3.442 129 2H5* C 13 2H5' C3' 6 7.638 9.860 2.891 130 H4* C 13 H4' C3' 6 8.099 7.482 3.319 131 H3* C 13 H3' C3' 6 8.650 8.781 0.771 132 1H2* C 13 1H2' C3' 6 8.829 6.216 -0.248 133 2H2* C 13 2H2' C3' 6 7.371 7.242 -0.436 134 H1* C 13 H1' C3' 6 7.947 5.258 1.804 135 1H4 C 13 1H4 C3' 6 2.705 3.064 -1.790 136 2H4 C 13 2H4 C3' 6 3.625 1.660 -1.288 137 H5 C 13 H5 C3' 6 3.414 5.376 -1.248 138 H6 C 13 H6 C3' 6 5.087 6.695 -0.116 139 H3T C 13 3HO' C3' 6 10.167 8.038 2.347 Start of MODEL 4 1 1H5* G 1 1H5' G5' 1 6.391 -8.002 -1.292 2 2H5* G 1 2H5' G5' 1 6.714 -8.966 0.166 3 H4* G 1 H4' G5' 1 8.167 -6.975 0.098 4 H3* G 1 H3' G5' 1 6.477 -7.668 2.314 5 1H2* G 1 1H2' G5' 1 6.483 -5.025 3.082 6 2H2* G 1 2H2' G5' 1 5.162 -5.745 2.122 7 H1* G 1 H1' G5' 1 7.616 -4.285 1.066 8 H8 G 1 H8 G5' 1 3.818 -4.742 0.224 9 H1 G 1 H1 G5' 1 5.798 1.355 0.479 10 1H2 G 1 1H2 G5' 1 8.880 0.002 1.414 11 2H2 G 1 2H2 G5' 1 7.941 1.444 1.093 12 H5T G 1 H5' G5' 1 4.476 -8.649 -0.209 13 1H5* A 2 1H5' A 2 9.874 -4.413 2.845 14 2H5* A 2 2H5' A 2 10.701 -4.793 4.372 15 H4* A 2 H4' A 2 10.585 -2.391 4.088 16 H3* A 2 H3' A 2 9.496 -3.751 6.392 17 1H2* A 2 1H2' A 2 7.925 -1.537 6.844 18 2H2* A 2 2H2' A 2 7.330 -2.999 6.012 19 H1* A 2 H1' A 2 8.504 -0.500 4.732 20 H8 A 2 H8 A 2 5.639 -3.149 4.297 21 1H6 A 2 1H6 A 2 2.139 1.636 2.551 22 2H6 A 2 2H6 A 2 2.188 -0.093 2.817 23 H2 A 2 H2 A 2 6.189 3.207 3.616 24 1H5* G 3 1H5' G 3 10.408 0.822 6.376 25 2H5* G 3 2H5' G 3 11.129 1.295 7.930 26 H4* G 3 H4' G 3 9.663 3.044 7.077 27 H3* G 3 H3' G 3 9.334 1.844 9.707 28 1H2* G 3 1H2' G 3 6.803 2.894 9.695 29 2H2* G 3 2H2' G 3 7.171 1.185 9.338 30 H1* G 3 H1' G 3 6.830 3.461 7.355 31 H8 G 3 H8 G 3 6.080 -0.368 7.805 32 H1 G 3 H1 G 3 1.313 3.091 5.282 33 1H2 G 3 1H2 G 3 3.464 5.826 5.777 34 2H2 G 3 2H2 G 3 1.891 5.274 5.240 35 1H5* A 4 1H5' A 4 7.729 6.081 8.516 36 2H5* A 4 2H5' A 4 8.018 7.196 9.869 37 H4* A 4 H4' A 4 5.948 7.764 8.713 38 H3* A 4 H3' A 4 6.109 7.293 11.538 39 1H2* A 4 1H2' A 4 3.440 6.628 11.560 40 2H2* A 4 2H2' A 4 4.723 5.389 11.439 41 H1* A 4 H1' A 4 3.272 6.760 9.140 42 H8 A 4 H8 A 4 4.528 3.213 10.283 43 1H6 A 4 1H6 A 4 -0.822 1.158 7.923 44 2H6 A 4 2H6 A 4 0.670 0.692 8.712 45 H2 A 4 H2 A 4 -0.745 5.591 7.499 46 1H5* G 5 1H5' G 5 2.959 10.186 9.425 47 2H5* G 5 2H5' G 5 2.691 11.540 10.543 48 H4* G 5 H4' G 5 0.727 11.105 9.093 49 H3* G 5 H3' G 5 0.622 11.470 11.909 50 1H2* G 5 1H2' G 5 -1.513 9.823 12.144 51 2H2* G 5 2H2' G 5 0.154 9.231 12.375 52 H1* G 5 H1' G 5 -1.510 9.140 9.827 53 H8 G 5 H8 G 5 1.117 7.086 11.893 54 H1 G 5 H1 G 5 -3.693 3.642 9.425 55 1H2 G 5 1H2 G 5 -4.936 6.708 8.325 56 2H2 G 5 2H2 G 5 -5.179 4.979 8.443 57 1H5* A 6 1H5' A3' 6 -3.361 10.998 9.488 58 2H5* A 6 2H5' A3' 6 -4.507 12.240 10.034 59 H4* A 6 H4' A3' 6 -5.689 10.182 9.544 60 H3* A 6 H3' A3' 6 -5.867 11.514 12.082 61 1H2* A 6 1H2' A3' 6 -6.584 9.145 13.255 62 2H2* A 6 2H2' A3' 6 -4.891 9.734 13.270 63 H1* A 6 H1' A3' 6 -6.195 7.894 11.218 64 H8 A 6 H8 A3' 6 -2.920 8.222 13.384 65 1H6 A 6 1H6 A3' 6 -3.227 2.056 13.752 66 2H6 A 6 2H6 A3' 6 -2.346 3.488 14.243 67 H2 A 6 H2 A3' 6 -6.671 3.468 11.262 68 H3T A 6 3HO' A3' 6 -7.957 10.553 11.993 69 1H5* T 8 1H5' T5' 1 -8.225 -5.905 13.575 70 2H5* T 8 2H5' T5' 1 -8.807 -6.689 12.091 71 H4* T 8 H4' T5' 1 -9.693 -4.401 12.261 72 H3* T 8 H3' T5' 1 -8.291 -5.416 9.988 73 1H2* T 8 1H2' T5' 1 -7.514 -2.868 9.323 74 2H2* T 8 2H2' T5' 1 -6.466 -3.961 10.263 75 H1* T 8 H1' T5' 1 -8.465 -1.940 11.356 76 H3 T 8 H3 T5' 1 -5.290 1.284 12.025 77 1H5M T 8 1H5M T5' 1 -2.872 -3.551 12.406 78 2H5M T 8 2H5M T5' 1 -1.941 -2.054 12.204 79 3H5M T 8 3H5M T5' 1 -2.619 -2.469 13.794 80 H6 T 8 H6 T5' 1 -5.178 -3.514 12.129 81 H5T T 8 H5' T5' 1 -6.285 -5.433 12.443 82 1H5* C 9 1H5' C 2 -10.657 -1.288 9.630 83 2H5* C 9 2H5' C 2 -11.531 -1.356 8.084 84 H4* C 9 H4' C 2 -10.764 0.906 8.515 85 H3* C 9 H3' C 2 -10.109 -0.558 6.122 86 1H2* C 9 1H2' C 2 -7.977 1.174 5.764 87 2H2* C 9 2H2' C 2 -7.821 -0.456 6.457 88 H1* C 9 H1' C 2 -8.243 2.168 7.939 89 1H4 C 9 1H4 C 2 -2.249 -0.391 9.593 90 2H4 C 9 2H4 C 2 -2.109 1.351 9.686 91 H5 C 9 H5 C 2 -4.337 -1.526 8.933 92 H6 C 9 H6 C 2 -6.619 -1.183 8.262 93 1H5* T 10 1H5' T 3 -9.695 4.084 6.340 94 2H5* T 10 2H5' T 3 -10.200 4.830 4.808 95 H4* T 10 H4' T 3 -8.274 5.975 5.792 96 H3* T 10 H3' T 3 -8.249 4.859 3.083 97 1H2* T 10 1H2' T 3 -5.503 5.339 3.246 98 2H2* T 10 2H2' T 3 -6.282 3.742 3.363 99 H1* T 10 H1' T 3 -5.530 5.621 5.624 100 H3 T 10 H3 T 3 -1.789 3.260 6.637 101 1H5M T 10 1H5M T 3 -4.205 -0.399 4.244 102 2H5M T 10 2H5M T 3 -4.055 -0.798 5.970 103 3H5M T 10 3H5M T 3 -5.622 -0.290 5.311 104 H6 T 10 H6 T 3 -6.069 2.003 4.893 105 1H5* C 11 1H5' C 4 -5.749 8.531 4.530 106 2H5* C 11 2H5' C 4 -5.687 9.757 3.244 107 H4* C 11 H4' C 4 -3.571 9.677 4.494 108 H3* C 11 H3' C 4 -3.749 9.325 1.609 109 1H2* C 11 1H2' C 4 -1.175 8.298 1.792 110 2H2* C 11 2H2' C 4 -2.643 7.294 1.657 111 H1* C 11 H1' C 4 -1.305 8.242 4.217 112 1H4 C 11 1H4 C 4 0.973 2.233 4.025 113 2H4 C 11 2H4 C 4 -0.588 1.579 3.699 114 H5 C 11 H5 C 4 -2.484 3.059 2.933 115 H6 C 11 H6 C 4 -3.261 5.350 2.903 116 1H5* T 12 1H5' T 5 0.122 10.699 3.841 117 2H5* T 12 2H5' T 5 0.942 11.978 2.918 118 H4* T 12 H4' T 5 2.547 10.447 4.017 119 H3* T 12 H3' T 5 2.583 11.081 1.185 120 1H2* T 12 1H2' T 5 4.156 8.813 0.891 121 2H2* T 12 2H2' T 5 2.407 8.851 0.553 122 H1* T 12 H1' T 5 3.747 8.146 3.194 123 H3 T 12 H3 T 5 3.554 3.640 2.479 124 1H5M T 12 1H5M T 5 -0.897 5.832 0.353 125 2H5M T 12 2H5M T 5 0.073 4.971 -0.864 126 3H5M T 12 3H5M T 5 -0.676 4.076 0.477 127 H6 T 12 H6 T 5 0.797 7.310 1.075 128 1H5* C 13 1H5' C3' 6 6.273 9.371 3.512 129 2H5* C 13 2H5' C3' 6 7.754 10.194 2.974 130 H4* C 13 H4' C3' 6 8.173 7.811 3.428 131 H3* C 13 H3' C3' 6 8.782 9.082 0.876 132 1H2* C 13 1H2' C3' 6 8.966 6.497 -0.099 133 2H2* C 13 2H2' C3' 6 7.527 7.537 -0.341 134 H1* C 13 H1' C3' 6 8.015 5.572 1.935 135 1H4 C 13 1H4 C3' 6 2.834 3.454 -1.794 136 2H4 C 13 2H4 C3' 6 3.717 2.034 -1.270 137 H5 C 13 H5 C3' 6 3.560 5.752 -1.227 138 H6 C 13 H6 C3' 6 5.230 7.045 -0.060 139 H3T C 13 3HO' C3' 6 10.264 8.354 2.491 Start of MODEL 5 1 1H5* G 1 1H5' G5' 1 6.102 -8.102 -1.147 2 2H5* G 1 2H5' G5' 1 6.499 -9.018 0.323 3 H4* G 1 H4' G5' 1 7.788 -6.918 0.222 4 H3* G 1 H3' G5' 1 6.104 -7.688 2.447 5 1H2* G 1 1H2' G5' 1 6.136 -5.021 3.183 6 2H2* G 1 2H2' G5' 1 4.774 -5.802 2.335 7 H1* G 1 H1' G5' 1 7.086 -4.253 1.106 8 H8 G 1 H8 G5' 1 3.280 -5.000 0.543 9 H1 G 1 H1 G5' 1 4.882 1.187 0.071 10 1H2 G 1 1H2 G5' 1 8.111 0.103 0.925 11 2H2 G 1 2H2 G5' 1 7.075 1.454 0.517 12 H5T G 1 H5' G5' 1 4.243 -8.884 -0.056 13 1H5* A 2 1H5' A 2 9.612 -4.554 2.946 14 2H5* A 2 2H5' A 2 10.396 -4.848 4.514 15 H4* A 2 H4' A 2 10.316 -2.459 4.003 16 H3* A 2 H3' A 2 9.263 -3.598 6.450 17 1H2* A 2 1H2' A 2 7.760 -1.339 6.742 18 2H2* A 2 2H2' A 2 7.114 -2.861 6.073 19 H1* A 2 H1' A 2 8.258 -0.505 4.527 20 H8 A 2 H8 A 2 5.362 -3.163 4.459 21 1H6 A 2 1H6 A 2 1.830 1.498 2.436 22 2H6 A 2 2H6 A 2 1.864 -0.201 2.852 23 H2 A 2 H2 A 2 5.941 3.086 3.123 24 1H5* G 3 1H5' G 3 10.351 0.987 6.017 25 2H5* G 3 2H5' G 3 11.155 1.483 7.522 26 H4* G 3 H4' G 3 9.809 3.308 6.654 27 H3* G 3 H3' G 3 9.493 2.254 9.321 28 1H2* G 3 1H2' G 3 6.961 3.280 9.371 29 2H2* G 3 2H2' G 3 7.297 1.576 8.960 30 H1* G 3 H1' G 3 7.009 3.910 7.029 31 H8 G 3 H8 G 3 6.033 0.130 7.441 32 H1 G 3 H1 G 3 1.397 3.941 5.169 33 1H2 G 3 1H2 G 3 3.694 6.522 5.688 34 2H2 G 3 2H2 G 3 2.078 6.069 5.192 35 1H5* A 4 1H5' A 4 7.773 6.429 8.028 36 2H5* A 4 2H5' A 4 8.106 7.595 9.327 37 H4* A 4 H4' A 4 5.970 8.083 8.258 38 H3* A 4 H3' A 4 6.273 7.718 11.091 39 1H2* A 4 1H2' A 4 3.629 7.016 11.266 40 2H2* A 4 2H2' A 4 4.923 5.793 11.123 41 H1* A 4 H1' A 4 3.336 7.053 8.851 42 H8 A 4 H8 A 4 4.713 3.585 10.084 43 1H6 A 4 1H6 A 4 -0.635 1.298 7.955 44 2H6 A 4 2H6 A 4 0.891 0.904 8.717 45 H2 A 4 H2 A 4 -0.709 5.716 7.389 46 1H5* G 5 1H5' G 5 2.945 10.425 9.017 47 2H5* G 5 2H5' G 5 2.681 11.820 10.086 48 H4* G 5 H4' G 5 0.665 11.249 8.762 49 H3* G 5 H3' G 5 0.691 11.723 11.566 50 1H2* G 5 1H2' G 5 -1.381 10.025 11.962 51 2H2* G 5 2H2' G 5 0.313 9.494 12.140 52 H1* G 5 H1' G 5 -1.456 9.255 9.674 53 H8 G 5 H8 G 5 1.309 7.355 11.708 54 H1 G 5 H1 G 5 -3.458 3.678 9.506 55 1H2 G 5 1H2 G 5 -4.843 6.664 8.359 56 2H2 G 5 2H2 G 5 -5.021 4.931 8.538 57 1H5* A 6 1H5' A3' 6 -3.382 11.042 9.363 58 2H5* A 6 2H5' A3' 6 -4.546 12.263 9.923 59 H4* A 6 H4' A3' 6 -5.674 10.150 9.564 60 H3* A 6 H3' A3' 6 -5.770 11.561 12.066 61 1H2* A 6 1H2' A3' 6 -6.347 9.209 13.346 62 2H2* A 6 2H2' A3' 6 -4.677 9.855 13.259 63 H1* A 6 H1' A3' 6 -6.013 7.905 11.334 64 H8 A 6 H8 A3' 6 -2.653 8.413 13.329 65 1H6 A 6 1H6 A3' 6 -2.726 2.254 13.893 66 2H6 A 6 2H6 A3' 6 -1.873 3.728 14.299 67 H2 A 6 H2 A3' 6 -6.331 3.472 11.533 68 H3T A 6 3HO' A3' 6 -7.525 11.031 10.659 69 1H5* T 8 1H5' T5' 1 -7.409 -5.890 14.172 70 2H5* T 8 2H5' T5' 1 -8.040 -6.733 12.741 71 H4* T 8 H4' T5' 1 -9.002 -4.476 12.904 72 H3* T 8 H3' T5' 1 -7.689 -5.498 10.583 73 1H2* T 8 1H2' T5' 1 -7.042 -2.943 9.814 74 2H2* T 8 2H2' T5' 1 -5.906 -3.972 10.724 75 H1* T 8 H1' T5' 1 -7.919 -1.996 11.872 76 H3 T 8 H3 T5' 1 -4.840 1.360 12.289 77 1H5M T 8 1H5M T5' 1 -1.633 -1.796 13.743 78 2H5M T 8 2H5M T5' 1 -2.338 -3.348 13.249 79 3H5M T 8 3H5M T5' 1 -1.546 -2.310 12.043 80 H6 T 8 H6 T5' 1 -4.537 -3.426 12.506 81 H5T T 8 H5' T5' 1 -5.552 -5.376 12.923 82 1H5* C 9 1H5' C 2 -10.221 -1.471 10.265 83 2H5* C 9 2H5' C 2 -11.181 -1.608 8.775 84 H4* C 9 H4' C 2 -10.476 0.692 9.117 85 H3* C 9 H3' C 2 -9.932 -0.790 6.713 86 1H2* C 9 1H2' C 2 -7.865 0.970 6.185 87 2H2* C 9 2H2' C 2 -7.627 -0.634 6.915 88 H1* C 9 H1' C 2 -8.040 2.022 8.344 89 1H4 C 9 1H4 C 2 -1.883 -0.296 9.740 90 2H4 C 9 2H4 C 2 -1.797 1.451 9.781 91 H5 C 9 H5 C 2 -3.961 -1.515 9.215 92 H6 C 9 H6 C 2 -6.285 -1.264 8.658 93 1H5* T 10 1H5' T 3 -9.592 3.858 6.875 94 2H5* T 10 2H5' T 3 -10.252 4.573 5.388 95 H4* T 10 H4' T 3 -8.298 5.805 6.190 96 H3* T 10 H3' T 3 -8.477 4.670 3.507 97 1H2* T 10 1H2' T 3 -5.733 5.158 3.403 98 2H2* T 10 2H2' T 3 -6.473 3.558 3.658 99 H1* T 10 H1' T 3 -5.567 5.543 5.770 100 H3 T 10 H3 T 3 -1.659 3.345 6.528 101 1H5M T 10 1H5M T 3 -4.150 -0.484 4.518 102 2H5M T 10 2H5M T 3 -3.841 -0.806 6.238 103 3H5M T 10 3H5M T 3 -5.475 -0.375 5.697 104 H6 T 10 H6 T 3 -6.032 1.884 5.217 105 1H5* C 11 1H5' C 4 -5.904 8.345 4.707 106 2H5* C 11 2H5' C 4 -5.885 9.577 3.425 107 H4* C 11 H4' C 4 -3.696 9.379 4.578 108 H3* C 11 H3' C 4 -4.050 9.159 1.690 109 1H2* C 11 1H2' C 4 -1.468 8.099 1.728 110 2H2* C 11 2H2' C 4 -2.957 7.135 1.569 111 H1* C 11 H1' C 4 -1.503 7.872 4.136 112 1H4 C 11 1H4 C 4 -1.205 1.224 3.117 113 2H4 C 11 2H4 C 4 0.273 1.694 3.930 114 H5 C 11 H5 C 4 -2.966 2.853 2.514 115 H6 C 11 H6 C 4 -3.584 5.182 2.583 116 1H5* T 12 1H5' T 5 -0.104 10.402 3.802 117 2H5* T 12 2H5' T 5 0.721 11.694 2.902 118 H4* T 12 H4' T 5 2.322 10.094 3.893 119 H3* T 12 H3' T 5 2.264 10.766 1.052 120 1H2* T 12 1H2' T 5 3.848 8.516 0.731 121 2H2* T 12 2H2' T 5 2.098 8.568 0.391 122 H1* T 12 H1' T 5 3.440 7.803 3.010 123 H3 T 12 H3 T 5 3.200 3.341 2.171 124 1H5M T 12 1H5M T 5 -0.402 4.833 -0.999 125 2H5M T 12 2H5M T 5 -1.074 3.811 0.290 126 3H5M T 12 3H5M T 5 -1.342 5.565 0.320 127 H6 T 12 H6 T 5 0.424 7.052 0.949 128 1H5* C 13 1H5' C3' 6 6.018 9.120 3.348 129 2H5* C 13 2H5' C3' 6 7.421 10.080 2.829 130 H4* C 13 H4' C3' 6 8.102 7.775 3.268 131 H3* C 13 H3' C3' 6 8.550 9.103 0.734 132 1H2* C 13 1H2' C3' 6 8.853 6.604 -0.375 133 2H2* C 13 2H2' C3' 6 7.302 7.503 -0.465 134 H1* C 13 H1' C3' 6 8.145 5.534 1.703 135 1H4 C 13 1H4 C3' 6 4.303 1.551 -1.516 136 2H4 C 13 2H4 C3' 6 3.003 2.701 -1.483 137 H5 C 13 H5 C3' 6 3.406 5.123 -0.946 138 H6 C 13 H6 C3' 6 4.947 6.623 0.150 139 H3T C 13 3HO' C3' 6 9.816 6.891 2.006 Start of MODEL 6 1 1H5* G 1 1H5' G5' 1 6.201 -8.217 -1.105 2 2H5* G 1 2H5' G5' 1 6.487 -9.151 0.379 3 H4* G 1 H4' G5' 1 7.957 -7.173 0.300 4 H3* G 1 H3' G5' 1 6.204 -7.796 2.493 5 1H2* G 1 1H2' G5' 1 6.248 -5.137 3.199 6 2H2* G 1 2H2' G5' 1 4.929 -5.857 2.235 7 H1* G 1 H1' G5' 1 7.425 -4.463 1.186 8 H8 G 1 H8 G5' 1 3.619 -4.873 0.345 9 H1 G 1 H1 G5' 1 5.739 1.182 0.319 10 1H2 G 1 1H2 G5' 1 8.792 -0.200 1.307 11 2H2 G 1 2H2 G5' 1 7.886 1.248 0.924 12 H5T G 1 H5' G5' 1 4.412 -7.255 -0.028 13 1H5* A 2 1H5' A 2 9.667 -4.634 2.988 14 2H5* A 2 2H5' A 2 10.452 -4.936 4.554 15 H4* A 2 H4' A 2 10.382 -2.553 4.090 16 H3* A 2 H3' A 2 9.250 -3.724 6.488 17 1H2* A 2 1H2' A 2 7.781 -1.431 6.778 18 2H2* A 2 2H2' A 2 7.123 -2.934 6.077 19 H1* A 2 H1' A 2 8.341 -0.580 4.585 20 H8 A 2 H8 A 2 5.433 -3.209 4.343 21 1H6 A 2 1H6 A 2 1.979 1.554 2.419 22 2H6 A 2 2H6 A 2 2.000 -0.165 2.746 23 H2 A 2 H2 A 2 6.059 3.098 3.355 24 1H5* G 3 1H5' G 3 10.375 0.851 6.190 25 2H5* G 3 2H5' G 3 11.154 1.306 7.721 26 H4* G 3 H4' G 3 9.831 3.156 6.890 27 H3* G 3 H3' G 3 9.440 2.012 9.512 28 1H2* G 3 1H2' G 3 6.918 3.060 9.531 29 2H2* G 3 2H2' G 3 7.250 1.366 9.074 30 H1* G 3 H1' G 3 7.030 3.763 7.214 31 H8 G 3 H8 G 3 5.998 -0.019 7.464 32 H1 G 3 H1 G 3 1.478 3.939 5.212 33 1H2 G 3 1H2 G 3 3.804 6.465 5.866 34 2H2 G 3 2H2 G 3 2.195 6.055 5.314 35 1H5* A 4 1H5' A 4 7.803 6.251 8.321 36 2H5* A 4 2H5' A 4 8.117 7.365 9.669 37 H4* A 4 H4' A 4 6.017 7.922 8.563 38 H3* A 4 H3' A 4 6.242 7.454 11.387 39 1H2* A 4 1H2' A 4 3.586 6.777 11.471 40 2H2* A 4 2H2' A 4 4.869 5.545 11.317 41 H1* A 4 H1' A 4 3.355 6.906 9.052 42 H8 A 4 H8 A 4 4.656 3.378 10.193 43 1H6 A 4 1H6 A 4 -0.668 1.244 7.854 44 2H6 A 4 2H6 A 4 0.834 0.801 8.637 45 H2 A 4 H2 A 4 -0.668 5.679 7.445 46 1H5* G 5 1H5' G 5 3.003 10.282 9.330 47 2H5* G 5 2H5' G 5 2.732 11.640 10.444 48 H4* G 5 H4' G 5 0.742 11.150 9.051 49 H3* G 5 H3' G 5 0.704 11.521 11.870 50 1H2* G 5 1H2' G 5 -1.399 9.838 12.153 51 2H2* G 5 2H2' G 5 0.282 9.277 12.351 52 H1* G 5 H1' G 5 -1.431 9.155 9.836 53 H8 G 5 H8 G 5 1.259 7.141 11.861 54 H1 G 5 H1 G 5 -3.505 3.617 9.418 55 1H2 G 5 1H2 G 5 -4.822 6.664 8.351 56 2H2 G 5 2H2 G 5 -5.028 4.929 8.461 57 1H5* A 6 1H5' A3' 6 -3.325 10.979 9.547 58 2H5* A 6 2H5' A3' 6 -4.485 12.195 10.124 59 H4* A 6 H4' A3' 6 -5.633 10.114 9.662 60 H3* A 6 H3' A3' 6 -5.770 11.433 12.209 61 1H2* A 6 1H2' A3' 6 -6.408 9.045 13.389 62 2H2* A 6 2H2' A3' 6 -4.728 9.669 13.364 63 H1* A 6 H1' A3' 6 -6.046 7.810 11.338 64 H8 A 6 H8 A3' 6 -2.727 8.195 13.427 65 1H6 A 6 1H6 A3' 6 -2.899 2.022 13.763 66 2H6 A 6 2H6 A3' 6 -2.035 3.467 14.242 67 H2 A 6 H2 A3' 6 -6.429 3.378 11.366 68 H3T A 6 3HO' A3' 6 -7.842 10.430 12.172 69 1H5* T 8 1H5' T5' 1 -7.703 -6.057 13.629 70 2H5* T 8 2H5' T5' 1 -8.301 -6.838 12.149 71 H4* T 8 H4' T5' 1 -9.245 -4.575 12.377 72 H3* T 8 H3' T5' 1 -7.887 -5.526 10.051 73 1H2* T 8 1H2' T5' 1 -7.191 -2.952 9.398 74 2H2* T 8 2H2' T5' 1 -6.090 -4.029 10.295 75 H1* T 8 H1' T5' 1 -8.105 -2.071 11.470 76 H3 T 8 H3 T5' 1 -4.984 1.219 12.074 77 1H5M T 8 1H5M T5' 1 -1.743 -2.497 11.798 78 2H5M T 8 2H5M T5' 1 -1.871 -2.038 13.511 79 3H5M T 8 3H5M T5' 1 -2.586 -3.561 12.946 80 H6 T 8 H6 T5' 1 -4.765 -3.577 12.142 81 H5T T 8 H5' T5' 1 -6.038 -7.069 12.421 82 1H5* C 9 1H5' C 2 -10.356 -1.454 9.819 83 2H5* C 9 2H5' C 2 -11.279 -1.521 8.302 84 H4* C 9 H4' C 2 -10.548 0.753 8.745 85 H3* C 9 H3' C 2 -9.965 -0.650 6.303 86 1H2* C 9 1H2' C 2 -7.859 1.096 5.892 87 2H2* C 9 2H2' C 2 -7.663 -0.536 6.568 88 H1* C 9 H1' C 2 -8.074 2.071 8.083 89 1H4 C 9 1H4 C 2 -1.989 -0.389 9.546 90 2H4 C 9 2H4 C 2 -1.879 1.354 9.655 91 H5 C 9 H5 C 2 -4.070 -1.557 8.924 92 H6 C 9 H6 C 2 -6.375 -1.250 8.318 93 1H5* T 10 1H5' T 3 -9.562 3.983 6.642 94 2H5* T 10 2H5' T 3 -10.170 4.762 5.164 95 H4* T 10 H4' T 3 -8.219 5.932 6.063 96 H3* T 10 H3' T 3 -8.346 4.902 3.336 97 1H2* T 10 1H2' T 3 -5.591 5.333 3.319 98 2H2* T 10 2H2' T 3 -6.369 3.741 3.501 99 H1* T 10 H1' T 3 -5.483 5.637 5.702 100 H3 T 10 H3 T 3 -1.631 3.352 6.484 101 1H5M T 10 1H5M T 3 -5.476 -0.276 5.414 102 2H5M T 10 2H5M T 3 -4.122 -0.361 4.266 103 3H5M T 10 3H5M T 3 -3.864 -0.752 5.980 104 H6 T 10 H6 T 3 -5.987 2.008 5.004 105 1H5* C 11 1H5' C 4 -5.743 8.479 4.749 106 2H5* C 11 2H5' C 4 -5.660 9.758 3.516 107 H4* C 11 H4' C 4 -3.515 9.471 4.735 108 H3* C 11 H3' C 4 -3.773 9.389 1.831 109 1H2* C 11 1H2' C 4 -1.220 8.269 1.900 110 2H2* C 11 2H2' C 4 -2.723 7.344 1.657 111 H1* C 11 H1' C 4 -1.336 7.944 4.296 112 1H4 C 11 1H4 C 4 -1.117 1.339 3.008 113 2H4 C 11 2H4 C 4 0.349 1.753 3.871 114 H5 C 11 H5 C 4 -2.838 3.022 2.431 115 H6 C 11 H6 C 4 -3.419 5.358 2.579 116 1H5* T 12 1H5' T 5 0.152 10.437 4.112 117 2H5* T 12 2H5' T 5 1.008 11.763 3.292 118 H4* T 12 H4' T 5 2.582 10.107 4.220 119 H3* T 12 H3' T 5 2.557 10.917 1.424 120 1H2* T 12 1H2' T 5 4.082 8.642 0.973 121 2H2* T 12 2H2' T 5 2.330 8.742 0.659 122 H1* T 12 H1' T 5 3.685 7.845 3.231 123 H3 T 12 H3 T 5 3.386 3.413 2.248 124 1H5M T 12 1H5M T 5 -0.856 4.005 0.329 125 2H5M T 12 2H5M T 5 -1.109 5.759 0.430 126 3H5M T 12 3H5M T 5 -0.157 5.074 -0.906 127 H6 T 12 H6 T 5 0.671 7.203 1.127 128 1H5* C 13 1H5' C3' 6 6.294 9.071 3.588 129 2H5* C 13 2H5' C3' 6 7.759 9.922 3.050 130 H4* C 13 H4' C3' 6 8.202 7.526 3.390 131 H3* C 13 H3' C3' 6 8.738 8.908 0.883 132 1H2* C 13 1H2' C3' 6 8.881 6.380 -0.228 133 2H2* C 13 2H2' C3' 6 7.431 7.425 -0.363 134 H1* C 13 H1' C3' 6 8.012 5.358 1.798 135 1H4 C 13 1H4 C3' 6 2.710 3.340 -1.809 136 2H4 C 13 2H4 C3' 6 3.622 1.911 -1.368 137 H5 C 13 H5 C3' 6 3.447 5.625 -1.194 138 H6 C 13 H6 C3' 6 5.145 6.888 -0.036 139 H3T C 13 3HO' C3' 6 10.265 8.097 2.414 Start of MODEL 7 1 1H5* G 1 1H5' G5' 1 5.850 -8.199 -1.210 2 2H5* G 1 2H5' G5' 1 6.196 -9.102 0.281 3 H4* G 1 H4' G5' 1 7.720 -7.177 0.060 4 H3* G 1 H3' G5' 1 6.098 -7.694 2.370 5 1H2* G 1 1H2' G5' 1 6.198 -5.030 2.992 6 2H2* G 1 2H2' G5' 1 4.819 -5.758 2.122 7 H1* G 1 H1' G5' 1 7.262 -4.399 0.913 8 H8 G 1 H8 G5' 1 3.433 -4.842 0.209 9 H1 G 1 H1 G5' 1 5.487 1.236 0.134 10 1H2 G 1 1H2 G5' 1 8.585 -0.119 1.023 11 2H2 G 1 2H2 G5' 1 7.655 1.321 0.671 12 H5T G 1 H5' G5' 1 4.160 -7.151 -0.056 13 1H5* A 2 1H5' A 2 9.528 -4.481 2.642 14 2H5* A 2 2H5' A 2 10.408 -4.779 4.157 15 H4* A 2 H4' A 2 10.281 -2.392 3.722 16 H3* A 2 H3' A 2 9.347 -3.572 6.186 17 1H2* A 2 1H2' A 2 7.711 -1.463 6.572 18 2H2* A 2 2H2' A 2 7.136 -2.970 5.807 19 H1* A 2 H1' A 2 8.206 -0.494 4.393 20 H8 A 2 H8 A 2 5.295 -3.138 4.299 21 1H6 A 2 1H6 A 2 1.782 1.565 2.346 22 2H6 A 2 2H6 A 2 1.815 -0.143 2.725 23 H2 A 2 H2 A 2 5.899 3.128 3.068 24 1H5* G 3 1H5' G 3 10.343 1.075 5.765 25 2H5* G 3 2H5' G 3 11.177 1.539 7.264 26 H4* G 3 H4' G 3 9.825 3.397 6.440 27 H3* G 3 H3' G 3 9.589 2.328 9.100 28 1H2* G 3 1H2' G 3 7.039 3.277 9.237 29 2H2* G 3 2H2' G 3 7.399 1.590 8.772 30 H1* G 3 H1' G 3 7.023 3.968 6.907 31 H8 G 3 H8 G 3 6.125 0.160 7.239 32 H1 G 3 H1 G 3 1.359 3.933 5.180 33 1H2 G 3 1H2 G 3 2.004 6.075 5.230 34 2H2 G 3 2H2 G 3 3.623 6.546 5.700 35 1H5* A 4 1H5' A 4 7.750 6.510 7.913 36 2H5* A 4 2H5' A 4 8.112 7.648 9.228 37 H4* A 4 H4' A 4 5.936 8.141 8.243 38 H3* A 4 H3' A 4 6.340 7.714 11.050 39 1H2* A 4 1H2' A 4 3.720 6.942 11.304 40 2H2* A 4 2H2' A 4 5.033 5.752 11.075 41 H1* A 4 H1' A 4 3.339 7.051 8.903 42 H8 A 4 H8 A 4 4.806 3.573 9.996 43 1H6 A 4 1H6 A 4 -0.561 1.257 7.947 44 2H6 A 4 2H6 A 4 0.990 0.868 8.657 45 H2 A 4 H2 A 4 -0.717 5.688 7.504 46 1H5* G 5 1H5' G 5 2.902 10.435 9.172 47 2H5* G 5 2H5' G 5 2.644 11.786 10.298 48 H4* G 5 H4' G 5 0.603 11.219 9.008 49 H3* G 5 H3' G 5 0.694 11.607 11.825 50 1H2* G 5 1H2' G 5 -1.332 9.857 12.222 51 2H2* G 5 2H2' G 5 0.375 9.356 12.339 52 H1* G 5 H1' G 5 -1.455 9.151 9.915 53 H8 G 5 H8 G 5 1.408 7.256 11.814 54 H1 G 5 H1 G 5 -3.350 3.540 9.659 55 1H2 G 5 1H2 G 5 -4.825 6.525 8.628 56 2H2 G 5 2H2 G 5 -4.965 4.786 8.767 57 1H5* A 6 1H5' A3' 6 -3.420 10.912 9.702 58 2H5* A 6 2H5' A3' 6 -4.591 12.093 10.327 59 H4* A 6 H4' A3' 6 -5.692 9.975 9.930 60 H3* A 6 H3' A3' 6 -5.751 11.305 12.474 61 1H2* A 6 1H2' A3' 6 -6.255 8.906 13.696 62 2H2* A 6 2H2' A3' 6 -4.598 9.582 13.586 63 H1* A 6 H1' A3' 6 -5.952 7.670 11.635 64 H8 A 6 H8 A3' 6 -2.548 8.175 13.554 65 1H6 A 6 1H6 A3' 6 -2.518 2.003 13.957 66 2H6 A 6 2H6 A3' 6 -1.676 3.479 14.381 67 H2 A 6 H2 A3' 6 -6.201 3.228 11.725 68 H3T A 6 3HO' A3' 6 -7.789 10.236 12.541 69 1H5* T 8 1H5' T5' 1 -7.037 -6.248 14.042 70 2H5* T 8 2H5' T5' 1 -7.680 -7.052 12.594 71 H4* T 8 H4' T5' 1 -8.685 -4.823 12.859 72 H3* T 8 H3' T5' 1 -7.401 -5.733 10.475 73 1H2* T 8 1H2' T5' 1 -6.814 -3.142 9.789 74 2H2* T 8 2H2' T5' 1 -5.643 -4.180 10.642 75 H1* T 8 H1' T5' 1 -7.673 -2.286 11.895 76 H3 T 8 H3 T5' 1 -4.659 1.120 12.383 77 1H5M T 8 1H5M T5' 1 -1.296 -2.466 11.898 78 2H5M T 8 2H5M T5' 1 -1.344 -2.015 13.617 79 3H5M T 8 3H5M T5' 1 -2.030 -3.564 13.088 80 H6 T 8 H6 T5' 1 -4.246 -3.663 12.397 81 H5T T 8 H5' T5' 1 -5.217 -5.650 12.776 82 1H5* C 9 1H5' C 2 -10.043 -1.764 10.395 83 2H5* C 9 2H5' C 2 -11.040 -1.869 8.929 84 H4* C 9 H4' C 2 -10.415 0.446 9.363 85 H3* C 9 H3' C 2 -9.916 -0.884 6.864 86 1H2* C 9 1H2' C 2 -7.899 0.891 6.362 87 2H2* C 9 2H2' C 2 -7.608 -0.730 7.035 88 H1* C 9 H1' C 2 -8.034 1.873 8.562 89 1H4 C 9 1H4 C 2 -1.779 -0.339 9.678 90 2H4 C 9 2H4 C 2 -1.730 1.408 9.769 91 H5 C 9 H5 C 2 -3.844 -1.589 9.179 92 H6 C 9 H6 C 2 -6.192 -1.376 8.710 93 1H5* T 10 1H5' T 3 -9.548 3.770 7.192 94 2H5* T 10 2H5' T 3 -10.280 4.518 5.756 95 H4* T 10 H4' T 3 -8.300 5.743 6.481 96 H3* T 10 H3' T 3 -8.590 4.664 3.786 97 1H2* T 10 1H2' T 3 -5.859 5.111 3.563 98 2H2* T 10 2H2' T 3 -6.599 3.517 3.850 99 H1* T 10 H1' T 3 -5.592 5.496 5.923 100 H3 T 10 H3 T 3 -1.672 3.317 6.648 101 1H5M T 10 1H5M T 3 -3.782 -0.850 6.201 102 2H5M T 10 2H5M T 3 -5.434 -0.424 5.716 103 3H5M T 10 3H5M T 3 -4.137 -0.473 4.501 104 H6 T 10 H6 T 3 -6.018 1.842 5.270 105 1H5* C 11 1H5' C 4 -5.973 8.332 4.965 106 2H5* C 11 2H5' C 4 -5.976 9.573 3.692 107 H4* C 11 H4' C 4 -3.766 9.360 4.803 108 H3* C 11 H3' C 4 -4.169 9.194 1.921 109 1H2* C 11 1H2' C 4 -1.637 8.069 1.863 110 2H2* C 11 2H2' C 4 -3.148 7.130 1.766 111 H1* C 11 H1' C 4 -1.590 7.851 4.277 112 1H4 C 11 1H4 C 4 -1.266 1.221 3.152 113 2H4 C 11 2H4 C 4 0.229 1.695 3.931 114 H5 C 11 H5 C 4 -3.066 2.841 2.637 115 H6 C 11 H6 C 4 -3.707 5.161 2.767 116 1H5* T 12 1H5' T 5 -0.183 10.342 4.062 117 2H5* T 12 2H5' T 5 0.583 11.685 3.189 118 H4* T 12 H4' T 5 2.262 10.184 4.182 119 H3* T 12 H3' T 5 2.240 10.958 1.408 120 1H2* T 12 1H2' T 5 3.686 8.696 0.826 121 2H2* T 12 2H2' T 5 1.913 8.774 0.649 122 H1* T 12 H1' T 5 3.473 7.876 3.106 123 H3 T 12 H3 T 5 3.161 3.438 2.133 124 1H5M T 12 1H5M T 5 -1.426 5.761 0.513 125 2H5M T 12 2H5M T 5 -0.532 5.048 -0.847 126 3H5M T 12 3H5M T 5 -1.183 4.006 0.437 127 H6 T 12 H6 T 5 0.363 7.206 1.159 128 1H5* C 13 1H5' C3' 6 6.079 9.060 3.455 129 2H5* C 13 2H5' C3' 6 7.502 9.953 2.871 130 H4* C 13 H4' C3' 6 8.017 7.564 3.157 131 H3* C 13 H3' C3' 6 8.422 8.999 0.661 132 1H2* C 13 1H2' C3' 6 8.541 6.508 -0.527 133 2H2* C 13 2H2' C3' 6 7.068 7.529 -0.556 134 H1* C 13 H1' C3' 6 7.797 5.419 1.517 135 1H4 C 13 1H4 C3' 6 2.348 3.373 -1.843 136 2H4 C 13 2H4 C3' 6 3.310 1.954 -1.481 137 H5 C 13 H5 C3' 6 3.076 5.661 -1.226 138 H6 C 13 H6 C3' 6 4.807 6.934 -0.129 139 H3T C 13 3HO' C3' 6 9.625 6.675 1.789 Start of MODEL 8 1 1H5* G 1 1H5' G5' 1 1.593 -10.177 -1.437 2 2H5* G 1 2H5' G5' 1 2.810 -10.984 -0.426 3 H4* G 1 H4' G5' 1 3.676 -8.862 -1.354 4 H3* G 1 H3' G5' 1 3.758 -9.578 1.412 5 1H2* G 1 1H2' G5' 1 3.787 -6.924 2.098 6 2H2* G 1 2H2' G5' 1 2.281 -7.881 2.069 7 H1* G 1 H1' G5' 1 3.415 -6.163 -0.175 8 H8 G 1 H8 G5' 1 -0.016 -7.201 1.412 9 H1 G 1 H1 G5' 1 0.682 -0.903 0.408 10 1H2 G 1 1H2 G5' 1 3.884 -1.741 -0.714 11 2H2 G 1 2H2 G5' 1 2.718 -0.473 -0.401 12 H5T G 1 H5' G5' 1 1.753 -10.085 1.398 13 1H5* A 2 1H5' A 2 6.255 -5.882 -0.145 14 2H5* A 2 2H5' A 2 7.863 -5.976 0.607 15 H4* A 2 H4' A 2 7.159 -3.660 0.410 16 H3* A 2 H3' A 2 7.908 -4.867 2.938 17 1H2* A 2 1H2' A 2 6.581 -2.820 4.180 18 2H2* A 2 2H2' A 2 5.876 -4.441 3.940 19 H1* A 2 H1' A 2 5.559 -2.006 2.146 20 H8 A 2 H8 A 2 3.548 -5.065 3.571 21 1H6 A 2 1H6 A 2 -1.054 -1.004 4.375 22 2H6 A 2 2H6 A 2 -0.573 -2.679 4.532 23 H2 A 2 H2 A 2 2.461 1.202 2.738 24 1H5* G 3 1H5' G 3 7.900 -0.195 2.264 25 2H5* G 3 2H5' G 3 9.364 0.454 3.034 26 H4* G 3 H4' G 3 7.542 2.031 3.270 27 H3* G 3 H3' G 3 8.997 0.979 5.531 28 1H2* G 3 1H2' G 3 6.875 1.623 7.126 29 2H2* G 3 2H2' G 3 7.120 -0.020 6.473 30 H1* G 3 H1' G 3 5.454 2.213 5.253 31 H8 G 3 H8 G 3 5.383 -1.665 5.875 32 H1 G 3 H1 G 3 -0.123 1.421 7.024 33 1H2 G 3 1H2 G 3 1.699 4.308 6.272 34 2H2 G 3 2H2 G 3 0.171 3.626 6.783 35 1H5* A 4 1H5' A 4 6.343 4.845 5.797 36 2H5* A 4 2H5' A 4 7.231 6.064 6.738 37 H4* A 4 H4' A 4 4.834 6.230 7.156 38 H3* A 4 H3' A 4 6.789 5.950 9.241 39 1H2* A 4 1H2' A 4 4.868 4.877 10.877 40 2H2* A 4 2H2' A 4 5.968 3.851 9.914 41 H1* A 4 H1' A 4 3.206 4.841 9.100 42 H8 A 4 H8 A 4 5.459 1.621 9.035 43 1H6 A 4 1H6 A 4 0.213 -1.430 10.279 44 2H6 A 4 2H6 A 4 1.929 -1.594 9.971 45 H2 A 4 H2 A 4 -0.720 2.924 10.187 46 1H5* G 5 1H5' G 5 2.577 8.133 9.711 47 2H5* G 5 2H5' G 5 2.828 9.488 10.832 48 H4* G 5 H4' G 5 0.506 8.624 10.900 49 H3* G 5 H3' G 5 2.122 9.131 13.184 50 1H2* G 5 1H2' G 5 0.909 7.161 14.591 51 2H2* G 5 2H2' G 5 2.430 6.877 13.703 52 H1* G 5 H1' G 5 -0.409 6.360 12.732 53 H8 G 5 H8 G 5 3.229 4.896 12.612 54 H1 G 5 H1 G 5 -1.428 0.554 13.361 55 1H2 G 5 1H2 G 5 -3.572 3.301 13.467 56 2H2 G 5 2H2 G 5 -3.399 1.563 13.589 57 1H5* A 6 1H5' A3' 6 -2.347 7.851 13.741 58 2H5* A 6 2H5' A3' 6 -3.094 8.901 14.965 59 H4* A 6 H4' A3' 6 -3.949 6.647 15.181 60 H3* A 6 H3' A3' 6 -2.721 8.060 17.359 61 1H2* A 6 1H2' A3' 6 -2.138 5.666 18.558 62 2H2* A 6 2H2' A3' 6 -0.936 6.541 17.555 63 H1* A 6 H1' A3' 6 -2.902 4.398 16.642 64 H8 A 6 H8 A3' 6 0.895 5.401 16.319 65 1H6 A 6 1H6 A3' 6 1.919 -0.699 16.367 66 2H6 A 6 2H6 A3' 6 2.660 0.886 16.302 67 H2 A 6 H2 A3' 6 -2.499 -0.033 16.665 68 H3T A 6 3HO' A3' 6 -4.208 6.747 18.528 69 1H5* T 8 1H5' T5' 1 -0.681 -9.425 18.754 70 2H5* T 8 2H5' T5' 1 -1.896 -10.361 17.859 71 H4* T 8 H4' T5' 1 -2.857 -8.264 18.749 72 H3* T 8 H3' T5' 1 -3.059 -9.115 16.033 73 1H2* T 8 1H2' T5' 1 -3.299 -6.504 15.221 74 2H2* T 8 2H2' T5' 1 -1.730 -7.349 15.217 75 H1* T 8 H1' T5' 1 -2.905 -5.666 17.467 76 H3 T 8 H3 T5' 1 -0.607 -1.903 16.242 77 1H5M T 8 1H5M T5' 1 2.333 -5.079 13.864 78 2H5M T 8 2H5M T5' 1 3.198 -4.557 15.328 79 3H5M T 8 3H5M T5' 1 2.534 -6.200 15.230 80 H6 T 8 H6 T5' 1 0.347 -6.596 15.906 81 H5T T 8 H5' T5' 1 -1.022 -9.477 15.934 82 1H5* C 9 1H5' C 2 -5.754 -5.486 17.555 83 2H5* C 9 2H5' C 2 -7.382 -5.775 16.902 84 H4* C 9 H4' C 2 -6.896 -3.395 16.932 85 H3* C 9 H3' C 2 -7.698 -4.818 14.565 86 1H2* C 9 1H2' C 2 -6.571 -2.793 13.056 87 2H2* C 9 2H2' C 2 -5.756 -4.337 13.391 88 H1* C 9 H1' C 2 -5.567 -1.747 14.978 89 1H4 C 9 1H4 C 2 0.455 -3.157 12.337 90 2H4 C 9 2H4 C 2 0.337 -1.414 12.447 91 H5 C 9 H5 C 2 -1.366 -4.663 13.039 92 H6 C 9 H6 C 2 -3.581 -4.749 13.967 93 1H5* T 10 1H5' T 3 -7.895 -0.167 14.832 94 2H5* T 10 2H5' T 3 -9.384 0.430 14.065 95 H4* T 10 H4' T 3 -7.497 1.933 13.662 96 H3* T 10 H3' T 3 -9.085 0.754 11.517 97 1H2* T 10 1H2' T 3 -7.008 1.605 9.861 98 2H2* T 10 2H2' T 3 -7.259 -0.077 10.393 99 H1* T 10 H1' T 3 -5.531 2.047 11.707 100 H3 T 10 H3 T 3 -1.694 0.429 9.881 101 1H5M T 10 1H5M T 3 -3.108 -3.992 10.616 102 2H5M T 10 2H5M T 3 -4.784 -3.801 11.166 103 3H5M T 10 3H5M T 3 -4.407 -3.736 9.430 104 H6 T 10 H6 T 3 -5.785 -1.648 11.268 105 1H5* C 11 1H5' C 4 -6.750 4.760 11.254 106 2H5* C 11 2H5' C 4 -7.629 5.969 10.291 107 H4* C 11 H4' C 4 -5.171 6.083 9.947 108 H3* C 11 H3' C 4 -7.117 5.807 7.791 109 1H2* C 11 1H2' C 4 -4.906 5.101 6.244 110 2H2* C 11 2H2' C 4 -6.084 3.943 6.911 111 H1* C 11 H1' C 4 -3.498 4.890 8.201 112 1H4 C 11 1H4 C 4 -3.081 -1.660 6.703 113 2H4 C 11 2H4 C 4 -1.477 -0.980 6.526 114 H5 C 11 H5 C 4 -5.035 -0.297 7.371 115 H6 C 11 H6 C 4 -5.762 1.925 7.960 116 1H5* T 12 1H5' T 5 -2.834 7.571 7.285 117 2H5* T 12 2H5' T 5 -2.866 8.967 6.184 118 H4* T 12 H4' T 5 -0.819 7.625 5.885 119 H3* T 12 H3' T 5 -2.652 8.270 3.718 120 1H2* T 12 1H2' T 5 -1.379 6.237 2.322 121 2H2* T 12 2H2' T 5 -2.954 6.049 3.135 122 H1* T 12 H1' T 5 -0.204 5.510 4.318 123 H3 T 12 H3 T 5 -0.345 1.039 3.490 124 1H5M T 12 1H5M T 5 -5.321 2.564 4.876 125 2H5M T 12 2H5M T 5 -5.277 1.964 3.203 126 3H5M T 12 3H5M T 5 -4.913 0.867 4.553 127 H6 T 12 H6 T 5 -3.732 4.300 4.431 128 1H5* C 13 1H5' C3' 6 1.864 7.143 3.092 129 2H5* C 13 2H5' C3' 6 2.554 8.180 1.823 130 H4* C 13 H4' C3' 6 3.478 5.902 1.706 131 H3* C 13 H3' C3' 6 2.169 7.211 -0.544 132 1H2* C 13 1H2' C3' 6 2.018 4.676 -1.641 133 2H2* C 13 2H2' C3' 6 0.634 5.474 -0.829 134 H1* C 13 H1' C3' 6 2.709 3.645 0.448 135 1H4 C 13 1H4 C3' 6 -3.304 0.647 0.662 136 2H4 C 13 2H4 C3' 6 -2.104 -0.599 0.386 137 H5 C 13 H5 C3' 6 -2.710 3.048 0.827 138 H6 C 13 H6 C3' 6 -0.877 4.616 0.792 139 H3T C 13 3HO' C3' 6 4.162 5.184 -0.350 Start of MODEL 9 1 1H5* G 1 1H5' G5' 1 1.404 -10.170 -1.699 2 2H5* G 1 2H5' G5' 1 2.621 -11.031 -0.731 3 H4* G 1 H4' G5' 1 3.513 -8.878 -1.532 4 H3* G 1 H3' G5' 1 3.486 -9.689 1.227 5 1H2* G 1 1H2' G5' 1 3.626 -7.035 1.941 6 2H2* G 1 2H2' G5' 1 2.089 -7.941 1.894 7 H1* G 1 H1' G5' 1 3.295 -6.247 -0.331 8 H8 G 1 H8 G5' 1 -0.190 -7.174 1.205 9 H1 G 1 H1 G5' 1 0.774 -0.892 0.326 10 1H2 G 1 1H2 G5' 1 3.957 -1.838 -0.764 11 2H2 G 1 2H2 G5' 1 2.837 -0.530 -0.446 12 H5T G 1 H5' G5' 1 0.502 -9.435 0.285 13 1H5* A 2 1H5' A 2 6.170 -6.087 -0.209 14 2H5* A 2 2H5' A 2 7.758 -6.254 0.572 15 H4* A 2 H4' A 2 7.148 -3.910 0.393 16 H3* A 2 H3' A 2 7.801 -5.178 2.917 17 1H2* A 2 1H2' A 2 6.532 -3.095 4.162 18 2H2* A 2 2H2' A 2 5.769 -4.684 3.888 19 H1* A 2 H1' A 2 5.581 -2.216 2.120 20 H8 A 2 H8 A 2 3.427 -5.212 3.466 21 1H6 A 2 1H6 A 2 -1.025 -0.985 4.255 22 2H6 A 2 2H6 A 2 -0.613 -2.680 4.395 23 H2 A 2 H2 A 2 2.601 1.104 2.707 24 1H5* G 3 1H5' G 3 7.986 -0.501 2.309 25 2H5* G 3 2H5' G 3 9.460 0.081 3.114 26 H4* G 3 H4' G 3 7.696 1.724 3.341 27 H3* G 3 H3' G 3 9.069 0.585 5.611 28 1H2* G 3 1H2' G 3 6.945 1.289 7.178 29 2H2* G 3 2H2' G 3 7.138 -0.354 6.506 30 H1* G 3 H1' G 3 5.582 1.960 5.290 31 H8 G 3 H8 G 3 5.350 -1.921 5.855 32 H1 G 3 H1 G 3 -0.052 1.362 6.954 33 1H2 G 3 1H2 G 3 1.894 4.186 6.274 34 2H2 G 3 2H2 G 3 0.332 3.556 6.750 35 1H5* A 4 1H5' A 4 6.561 4.547 5.887 36 2H5* A 4 2H5' A 4 7.479 5.717 6.861 37 H4* A 4 H4' A 4 5.083 5.970 7.241 38 H3* A 4 H3' A 4 6.988 5.587 9.354 39 1H2* A 4 1H2' A 4 4.998 4.566 10.941 40 2H2* A 4 2H2' A 4 6.076 3.512 9.983 41 H1* A 4 H1' A 4 3.369 4.619 9.135 42 H8 A 4 H8 A 4 5.496 1.316 9.063 43 1H6 A 4 1H6 A 4 1.829 -1.773 9.892 44 2H6 A 4 2H6 A 4 0.116 -1.547 10.173 45 H2 A 4 H2 A 4 -0.647 2.841 10.128 46 1H5* G 5 1H5' G 5 2.856 7.923 9.782 47 2H5* G 5 2H5' G 5 3.139 9.253 10.926 48 H4* G 5 H4' G 5 0.784 8.479 10.941 49 H3* G 5 H3' G 5 2.376 8.892 13.261 50 1H2* G 5 1H2' G 5 1.065 6.951 14.619 51 2H2* G 5 2H2' G 5 2.589 6.622 13.753 52 H1* G 5 H1' G 5 -0.250 6.227 12.725 53 H8 G 5 H8 G 5 3.331 4.625 12.648 54 H1 G 5 H1 G 5 -1.501 0.457 13.255 55 1H2 G 5 1H2 G 5 -3.540 3.282 13.364 56 2H2 G 5 2H2 G 5 -3.436 1.538 13.464 57 1H5* A 6 1H5' A3' 6 -2.147 7.777 13.721 58 2H5* A 6 2H5' A3' 6 -2.876 8.839 14.946 59 H4* A 6 H4' A3' 6 -3.819 6.616 15.115 60 H3* A 6 H3' A3' 6 -2.577 7.952 17.335 61 1H2* A 6 1H2' A3' 6 -2.109 5.523 18.510 62 2H2* A 6 2H2' A3' 6 -0.856 6.364 17.542 63 H1* A 6 H1' A3' 6 -2.885 4.309 16.564 64 H8 A 6 H8 A3' 6 0.952 5.171 16.322 65 1H6 A 6 1H6 A3' 6 1.742 -0.964 16.301 66 2H6 A 6 2H6 A3' 6 2.544 0.593 16.271 67 H2 A 6 H2 A3' 6 -2.651 -0.133 16.530 68 H3T A 6 3HO' A3' 6 -4.769 7.247 17.140 69 1H5* T 8 1H5' T5' 1 -1.218 -9.610 18.496 70 2H5* T 8 2H5' T5' 1 -2.479 -10.490 17.606 71 H4* T 8 H4' T5' 1 -3.363 -8.368 18.492 72 H3* T 8 H3' T5' 1 -3.546 -9.173 15.757 73 1H2* T 8 1H2' T5' 1 -3.681 -6.541 14.985 74 2H2* T 8 2H2' T5' 1 -2.145 -7.447 14.990 75 H1* T 8 H1' T5' 1 -3.286 -5.753 17.250 76 H3 T 8 H3 T5' 1 -0.824 -2.067 16.113 77 1H5M T 8 1H5M T5' 1 2.831 -5.340 15.577 78 2H5M T 8 2H5M T5' 1 1.924 -6.466 14.542 79 3H5M T 8 3H5M T5' 1 2.331 -4.846 13.943 80 H6 T 8 H6 T5' 1 -0.049 -6.790 15.726 81 H5T T 8 H5' T5' 1 -0.488 -10.414 16.477 82 1H5* C 9 1H5' C 2 -6.131 -5.469 17.285 83 2H5* C 9 2H5' C 2 -7.757 -5.686 16.601 84 H4* C 9 H4' C 2 -7.179 -3.327 16.673 85 H3* C 9 H3' C 2 -7.994 -4.685 14.272 86 1H2* C 9 1H2' C 2 -6.763 -2.683 12.813 87 2H2* C 9 2H2' C 2 -6.015 -4.262 13.138 88 H1* C 9 H1' C 2 -5.753 -1.705 14.768 89 1H4 C 9 1H4 C 2 0.256 -3.310 12.209 90 2H4 C 9 2H4 C 2 0.203 -1.565 12.344 91 H5 C 9 H5 C 2 -1.635 -4.754 12.855 92 H6 C 9 H6 C 2 -3.868 -4.767 13.743 93 1H5* T 10 1H5' T 3 -8.016 -0.034 14.605 94 2H5* T 10 2H5' T 3 -9.467 0.631 13.822 95 H4* T 10 H4' T 3 -7.516 2.065 13.474 96 H3* T 10 H3' T 3 -9.110 0.980 11.285 97 1H2* T 10 1H2' T 3 -6.974 1.772 9.677 98 2H2* T 10 2H2' T 3 -7.300 0.094 10.180 99 H1* T 10 H1' T 3 -5.513 2.130 11.554 100 H3 T 10 H3 T 3 -1.710 0.389 9.770 101 1H5M T 10 1H5M T 3 -3.307 -3.982 10.414 102 2H5M T 10 2H5M T 3 -4.984 -3.734 10.938 103 3H5M T 10 3H5M T 3 -4.574 -3.659 9.210 104 H6 T 10 H6 T 3 -5.902 -1.546 11.055 105 1H5* C 11 1H5' C 4 -6.618 4.895 11.122 106 2H5* C 11 2H5' C 4 -7.432 6.152 10.162 107 H4* C 11 H4' C 4 -4.965 6.173 9.863 108 H3* C 11 H3' C 4 -6.881 6.006 7.670 109 1H2* C 11 1H2' C 4 -4.672 5.236 6.151 110 2H2* C 11 2H2' C 4 -5.906 4.116 6.779 111 H1* C 11 H1' C 4 -3.308 4.941 8.128 112 1H4 C 11 1H4 C 4 -3.120 -1.597 6.537 113 2H4 C 11 2H4 C 4 -1.489 -0.978 6.397 114 H5 C 11 H5 C 4 -5.032 -0.168 7.193 115 H6 C 11 H6 C 4 -5.682 2.072 7.804 116 1H5* T 12 1H5' T 5 -2.523 7.606 7.265 117 2H5* T 12 2H5' T 5 -2.482 9.019 6.186 118 H4* T 12 H4' T 5 -0.483 7.604 5.899 119 H3* T 12 H3' T 5 -2.253 8.353 3.714 120 1H2* T 12 1H2' T 5 -1.037 6.293 2.306 121 2H2* T 12 2H2' T 5 -2.632 6.154 3.091 122 H1* T 12 H1' T 5 0.076 5.491 4.309 123 H3 T 12 H3 T 5 -0.222 1.041 3.409 124 1H5M T 12 1H5M T 5 -5.159 2.737 4.739 125 2H5M T 12 2H5M T 5 -5.110 2.161 3.058 126 3H5M T 12 3H5M T 5 -4.811 1.031 4.396 127 H6 T 12 H6 T 5 -3.497 4.417 4.346 128 1H5* C 13 1H5' C3' 6 2.225 7.058 3.139 129 2H5* C 13 2H5' C3' 6 2.975 8.087 1.898 130 H4* C 13 H4' C3' 6 3.812 5.778 1.757 131 H3* C 13 H3' C3' 6 2.594 7.173 -0.489 132 1H2* C 13 1H2' C3' 6 2.342 4.667 -1.631 133 2H2* C 13 2H2' C3' 6 0.986 5.509 -0.817 134 H1* C 13 H1' C3' 6 2.972 3.575 0.447 135 1H4 C 13 1H4 C3' 6 -3.154 0.807 0.532 136 2H4 C 13 2H4 C3' 6 -1.998 -0.481 0.259 137 H5 C 13 H5 C3' 6 -2.471 3.180 0.740 138 H6 C 13 H6 C3' 6 -0.580 4.677 0.755 139 H3T C 13 3HO' C3' 6 4.262 5.991 -1.546 Start of MODEL 10 1 1H5* G 1 1H5' G5' 1 1.853 -9.970 -1.775 2 2H5* G 1 2H5' G5' 1 3.055 -10.829 -0.787 3 H4* G 1 H4' G5' 1 3.939 -8.652 -1.532 4 H3* G 1 H3' G5' 1 3.848 -9.503 1.213 5 1H2* G 1 1H2' G5' 1 3.930 -6.859 1.970 6 2H2* G 1 2H2' G5' 1 2.408 -7.786 1.866 7 H1* G 1 H1' G5' 1 3.650 -6.041 -0.298 8 H8 G 1 H8 G5' 1 0.138 -7.040 1.126 9 H1 G 1 H1 G5' 1 1.035 -0.733 0.366 10 1H2 G 1 1H2 G5' 1 4.260 -1.619 -0.649 11 2H2 G 1 2H2 G5' 1 3.113 -0.331 -0.343 12 H5T G 1 H5' G5' 1 0.887 -9.277 0.193 13 1H5* A 2 1H5' A 2 6.517 -5.843 -0.096 14 2H5* A 2 2H5' A 2 8.085 -5.999 0.727 15 H4* A 2 H4' A 2 7.446 -3.661 0.565 16 H3* A 2 H3' A 2 8.049 -4.958 3.087 17 1H2* A 2 1H2' A 2 6.717 -2.912 4.327 18 2H2* A 2 2H2' A 2 5.984 -4.508 4.009 19 H1* A 2 H1' A 2 5.809 -2.016 2.273 20 H8 A 2 H8 A 2 3.662 -5.062 3.515 21 1H6 A 2 1H6 A 2 -0.871 -0.911 4.243 22 2H6 A 2 2H6 A 2 -0.438 -2.602 4.369 23 H2 A 2 H2 A 2 2.766 1.252 2.827 24 1H5* G 3 1H5' G 3 8.182 -0.270 2.553 25 2H5* G 3 2H5' G 3 9.624 0.321 3.406 26 H4* G 3 H4' G 3 7.831 1.935 3.609 27 H3* G 3 H3' G 3 9.158 0.782 5.899 28 1H2* G 3 1H2' G 3 6.982 1.432 7.417 29 2H2* G 3 2H2' G 3 7.218 -0.198 6.726 30 H1* G 3 H1' G 3 5.661 2.111 5.502 31 H8 G 3 H8 G 3 5.471 -1.781 6.004 32 H1 G 3 H1 G 3 -0.006 1.408 7.002 33 1H2 G 3 1H2 G 3 1.916 4.269 6.418 34 2H2 G 3 2H2 G 3 0.350 3.610 6.841 35 1H5* A 4 1H5' A 4 6.586 4.703 6.164 36 2H5* A 4 2H5' A 4 7.459 5.872 7.179 37 H4* A 4 H4' A 4 5.051 6.085 7.496 38 H3* A 4 H3' A 4 6.902 5.697 9.656 39 1H2* A 4 1H2' A 4 4.885 4.624 11.172 40 2H2* A 4 2H2' A 4 6.004 3.600 10.229 41 H1* A 4 H1' A 4 3.305 4.681 9.323 42 H8 A 4 H8 A 4 5.482 1.410 9.262 43 1H6 A 4 1H6 A 4 0.117 -1.547 10.181 44 2H6 A 4 2H6 A 4 1.840 -1.743 9.944 45 H2 A 4 H2 A 4 -0.709 2.830 10.179 46 1H5* G 5 1H5' G 5 2.725 7.967 10.003 47 2H5* G 5 2H5' G 5 2.957 9.283 11.174 48 H4* G 5 H4' G 5 0.615 8.475 11.113 49 H3* G 5 H3' G 5 2.137 8.877 13.481 50 1H2* G 5 1H2' G 5 0.817 6.897 14.774 51 2H2* G 5 2H2' G 5 2.369 6.602 13.946 52 H1* G 5 H1' G 5 -0.434 6.183 12.835 53 H8 G 5 H8 G 5 3.171 4.634 12.833 54 H1 G 5 H1 G 5 -1.614 0.388 13.247 55 1H2 G 5 1H2 G 5 -3.697 3.181 13.341 56 2H2 G 5 2H2 G 5 -3.569 1.437 13.418 57 1H5* A 6 1H5' A3' 6 -2.380 7.691 13.801 58 2H5* A 6 2H5' A3' 6 -3.157 8.724 15.021 59 H4* A 6 H4' A3' 6 -4.072 6.485 15.132 60 H3* A 6 H3' A3' 6 -2.911 7.806 17.404 61 1H2* A 6 1H2' A3' 6 -2.439 5.366 18.556 62 2H2* A 6 2H2' A3' 6 -1.173 6.239 17.634 63 H1* A 6 H1' A3' 6 -3.145 4.171 16.572 64 H8 A 6 H8 A3' 6 0.685 5.090 16.447 65 1H6 A 6 1H6 A3' 6 1.564 -1.032 16.358 66 2H6 A 6 2H6 A3' 6 2.343 0.536 16.374 67 H2 A 6 H2 A3' 6 -2.846 -0.266 16.480 68 H3T A 6 3HO' A3' 6 -5.086 7.073 17.139 69 1H5* T 8 1H5' T5' 1 -1.327 -9.751 18.349 70 2H5* T 8 2H5' T5' 1 -2.550 -10.636 17.410 71 H4* T 8 H4' T5' 1 -3.490 -8.542 18.301 72 H3* T 8 H3' T5' 1 -3.583 -9.307 15.551 73 1H2* T 8 1H2' T5' 1 -3.735 -6.667 14.814 74 2H2* T 8 2H2' T5' 1 -2.187 -7.550 14.850 75 H1* T 8 H1' T5' 1 -3.417 -5.907 17.100 76 H3 T 8 H3 T5' 1 -0.981 -2.169 16.084 77 1H5M T 8 1H5M T5' 1 2.102 -6.512 15.089 78 2H5M T 8 2H5M T5' 1 1.989 -5.348 13.749 79 3H5M T 8 3H5M T5' 1 2.799 -4.890 15.265 80 H6 T 8 H6 T5' 1 -0.122 -6.873 15.656 81 H5T T 8 H5' T5' 1 -0.528 -10.515 16.340 82 1H5* C 9 1H5' C 2 -6.264 -5.665 17.059 83 2H5* C 9 2H5' C 2 -7.867 -5.895 16.327 84 H4* C 9 H4' C 2 -7.327 -3.530 16.450 85 H3* C 9 H3' C 2 -8.055 -4.862 14.008 86 1H2* C 9 1H2' C 2 -6.815 -2.820 12.614 87 2H2* C 9 2H2' C 2 -6.052 -4.394 12.936 88 H1* C 9 H1' C 2 -5.873 -1.858 14.610 89 1H4 C 9 1H4 C 2 0.227 -3.337 12.195 90 2H4 C 9 2H4 C 2 0.144 -1.596 12.354 91 H5 C 9 H5 C 2 -1.659 -4.818 12.769 92 H6 C 9 H6 C 2 -3.915 -4.877 13.594 93 1H5* T 10 1H5' T 3 -8.156 -0.217 14.408 94 2H5* T 10 2H5' T 3 -9.594 0.438 13.595 95 H4* T 10 H4' T 3 -7.656 1.905 13.322 96 H3* T 10 H3' T 3 -9.173 0.830 11.074 97 1H2* T 10 1H2' T 3 -7.005 1.677 9.538 98 2H2* T 10 2H2' T 3 -7.320 -0.012 10.007 99 H1* T 10 H1' T 3 -5.602 2.028 11.460 100 H3 T 10 H3 T 3 -1.726 0.369 9.756 101 1H5M T 10 1H5M T 3 -4.513 -3.712 9.059 102 2H5M T 10 2H5M T 3 -3.275 -4.034 10.293 103 3H5M T 10 3H5M T 3 -4.969 -3.818 10.773 104 H6 T 10 H6 T 3 -5.923 -1.646 10.897 105 1H5* C 11 1H5' C 4 -6.736 4.783 11.038 106 2H5* C 11 2H5' C 4 -7.541 6.042 10.074 107 H4* C 11 H4' C 4 -5.068 6.104 9.844 108 H3* C 11 H3' C 4 -6.920 5.942 7.596 109 1H2* C 11 1H2' C 4 -4.659 5.227 6.128 110 2H2* C 11 2H2' C 4 -5.893 4.080 6.706 111 H1* C 11 H1' C 4 -3.346 4.922 8.138 112 1H4 C 11 1H4 C 4 -3.018 -1.588 6.456 113 2H4 C 11 2H4 C 4 -1.393 -0.943 6.371 114 H5 C 11 H5 C 4 -4.968 -0.197 7.080 115 H6 C 11 H6 C 4 -5.667 2.024 7.706 116 1H5* T 12 1H5' T 5 -2.577 7.611 7.336 117 2H5* T 12 2H5' T 5 -2.527 9.041 6.279 118 H4* T 12 H4' T 5 -0.501 7.659 6.028 119 H3* T 12 H3' T 5 -2.221 8.415 3.805 120 1H2* T 12 1H2' T 5 -0.935 6.394 2.402 121 2H2* T 12 2H2' T 5 -2.549 6.220 3.139 122 H1* T 12 H1' T 5 0.134 5.578 4.422 123 H3 T 12 H3 T 5 -0.075 1.139 3.449 124 1H5M T 12 1H5M T 5 -5.070 2.743 4.666 125 2H5M T 12 2H5M T 5 -4.967 2.193 2.979 126 3H5M T 12 3H5M T 5 -4.688 1.048 4.308 127 H6 T 12 H6 T 5 -3.423 4.452 4.345 128 1H5* C 13 1H5' C3' 6 2.290 7.197 3.337 129 2H5* C 13 2H5' C3' 6 3.058 8.253 2.131 130 H4* C 13 H4' C3' 6 3.932 5.959 1.982 131 H3* C 13 H3' C3' 6 2.752 7.367 -0.279 132 1H2* C 13 1H2' C3' 6 2.589 4.870 -1.460 133 2H2* C 13 2H2' C3' 6 1.191 5.678 -0.683 134 H1* C 13 H1' C3' 6 3.165 3.760 0.623 135 1H4 C 13 1H4 C3' 6 -2.921 0.908 0.487 136 2H4 C 13 2H4 C3' 6 -1.740 -0.360 0.227 137 H5 C 13 H5 C3' 6 -2.278 3.286 0.750 138 H6 C 13 H6 C3' 6 -0.409 4.810 0.841 139 H3T C 13 3HO' C3' 6 4.687 5.286 -0.064 Start of MODEL 11 1 1H5* G 1 1H5' G5' 1 1.603 -10.012 -1.720 2 2H5* G 1 2H5' G5' 1 2.815 -10.871 -0.745 3 H4* G 1 H4' G5' 1 3.695 -8.700 -1.516 4 H3* G 1 H3' G5' 1 3.645 -9.540 1.234 5 1H2* G 1 1H2' G5' 1 3.757 -6.892 1.975 6 2H2* G 1 2H2' G5' 1 2.229 -7.811 1.905 7 H1* G 1 H1' G5' 1 3.440 -6.085 -0.292 8 H8 G 1 H8 G5' 1 -0.051 -7.057 1.200 9 H1 G 1 H1 G5' 1 0.870 -0.758 0.397 10 1H2 G 1 1H2 G5' 1 4.070 -1.668 -0.671 11 2H2 G 1 2H2 G5' 1 2.937 -0.372 -0.351 12 H5T G 1 H5' G5' 1 0.735 -10.881 0.215 13 1H5* A 2 1H5' A 2 6.314 -5.904 -0.138 14 2H5* A 2 2H5' A 2 7.895 -6.066 0.658 15 H4* A 2 H4' A 2 7.267 -3.725 0.495 16 H3* A 2 H3' A 2 7.907 -5.012 3.013 17 1H2* A 2 1H2' A 2 6.609 -2.953 4.266 18 2H2* A 2 2H2' A 2 5.861 -4.546 3.969 19 H1* A 2 H1' A 2 5.670 -2.062 2.224 20 H8 A 2 H8 A 2 3.527 -5.088 3.519 21 1H6 A 2 1H6 A 2 -0.966 -0.905 4.306 22 2H6 A 2 2H6 A 2 -0.542 -2.598 4.434 23 H2 A 2 H2 A 2 2.657 1.228 2.816 24 1H5* G 3 1H5' G 3 8.058 -0.328 2.453 25 2H5* G 3 2H5' G 3 9.519 0.257 3.278 26 H4* G 3 H4' G 3 7.739 1.884 3.505 27 H3* G 3 H3' G 3 9.100 0.733 5.777 28 1H2* G 3 1H2' G 3 6.955 1.404 7.330 29 2H2* G 3 2H2' G 3 7.169 -0.230 6.643 30 H1* G 3 H1' G 3 5.605 2.083 5.435 31 H8 G 3 H8 G 3 5.400 -1.806 5.960 32 H1 G 3 H1 G 3 -0.040 1.421 7.038 33 1H2 G 3 1H2 G 3 1.889 4.268 6.407 34 2H2 G 3 2H2 G 3 0.327 3.620 6.861 35 1H5* A 4 1H5' A 4 6.556 4.672 6.068 36 2H5* A 4 2H5' A 4 7.454 5.840 7.062 37 H4* A 4 H4' A 4 5.053 6.069 7.421 38 H3* A 4 H3' A 4 6.941 5.680 9.549 39 1H2* A 4 1H2' A 4 4.945 4.627 11.106 40 2H2* A 4 2H2' A 4 6.040 3.591 10.148 41 H1* A 4 H1' A 4 3.332 4.685 9.285 42 H8 A 4 H8 A 4 5.488 1.400 9.201 43 1H6 A 4 1H6 A 4 1.839 -1.727 9.963 44 2H6 A 4 2H6 A 4 0.121 -1.519 10.229 45 H2 A 4 H2 A 4 -0.678 2.864 10.222 46 1H5* G 5 1H5' G 5 2.785 7.978 9.960 47 2H5* G 5 2H5' G 5 3.046 9.298 11.121 48 H4* G 5 H4' G 5 0.698 8.505 11.106 49 H3* G 5 H3' G 5 2.266 8.907 13.444 50 1H2* G 5 1H2' G 5 0.957 6.942 14.770 51 2H2* G 5 2H2' G 5 2.492 6.633 13.916 52 H1* G 5 H1' G 5 -0.334 6.227 12.857 53 H8 G 5 H8 G 5 3.260 4.655 12.797 54 H1 G 5 H1 G 5 -1.543 0.441 13.316 55 1H2 G 5 1H2 G 5 -3.606 3.249 13.435 56 2H2 G 5 2H2 G 5 -3.488 1.504 13.518 57 1H5* A 6 1H5' A3' 6 -2.253 7.752 13.852 58 2H5* A 6 2H5' A3' 6 -3.001 8.796 15.080 59 H4* A 6 H4' A3' 6 -3.929 6.564 15.219 60 H3* A 6 H3' A3' 6 -2.718 7.887 17.463 61 1H2* A 6 1H2' A3' 6 -2.240 5.449 18.617 62 2H2* A 6 2H2' A3' 6 -0.986 6.310 17.669 63 H1* A 6 H1' A3' 6 -2.990 4.250 16.652 64 H8 A 6 H8 A3' 6 0.843 5.144 16.454 65 1H6 A 6 1H6 A3' 6 2.471 0.579 16.371 66 2H6 A 6 2H6 A3' 6 1.681 -0.984 16.377 67 H2 A 6 H2 A3' 6 -2.720 -0.190 16.575 68 H3T A 6 3HO' A3' 6 -4.275 6.593 18.560 69 1H5* T 8 1H5' T5' 1 -1.232 -9.674 18.468 70 2H5* T 8 2H5' T5' 1 -2.480 -10.557 17.563 71 H4* T 8 H4' T5' 1 -3.386 -8.448 18.448 72 H3* T 8 H3' T5' 1 -3.532 -9.234 15.706 73 1H2* T 8 1H2' T5' 1 -3.678 -6.598 14.951 74 2H2* T 8 2H2' T5' 1 -2.136 -7.492 14.968 75 H1* T 8 H1' T5' 1 -3.317 -5.824 17.226 76 H3 T 8 H3 T5' 1 -0.874 -2.107 16.161 77 1H5M T 8 1H5M T5' 1 2.869 -4.854 15.264 78 2H5M T 8 2H5M T5' 1 2.157 -6.472 15.106 79 3H5M T 8 3H5M T5' 1 2.023 -5.310 13.767 80 H6 T 8 H6 T5' 1 -0.057 -6.817 15.719 81 H5T T 8 H5' T5' 1 -0.468 -8.892 16.448 82 1H5* C 9 1H5' C 2 -6.162 -5.565 17.240 83 2H5* C 9 2H5' C 2 -7.779 -5.788 16.537 84 H4* C 9 H4' C 2 -7.222 -3.425 16.641 85 H3* C 9 H3' C 2 -8.002 -4.764 14.218 86 1H2* C 9 1H2' C 2 -6.773 -2.737 12.792 87 2H2* C 9 2H2' C 2 -6.015 -4.314 13.109 88 H1* C 9 H1' C 2 -5.791 -1.771 14.767 89 1H4 C 9 1H4 C 2 0.255 -3.300 12.249 90 2H4 C 9 2H4 C 2 0.186 -1.558 12.400 91 H5 C 9 H5 C 2 -1.629 -4.767 12.865 92 H6 C 9 H6 C 2 -3.870 -4.807 13.733 93 1H5* T 10 1H5' T 3 -8.066 -0.116 14.597 94 2H5* T 10 2H5' T 3 -9.514 0.544 13.807 95 H4* T 10 H4' T 3 -7.573 1.997 13.492 96 H3* T 10 H3' T 3 -9.136 0.921 11.276 97 1H2* T 10 1H2' T 3 -6.991 1.747 9.698 98 2H2* T 10 2H2' T 3 -7.307 0.062 10.181 99 H1* T 10 H1' T 3 -5.552 2.098 11.593 100 H3 T 10 H3 T 3 -1.717 0.407 9.829 101 1H5M T 10 1H5M T 3 -4.541 -3.660 9.201 102 2H5M T 10 2H5M T 3 -3.283 -3.984 10.415 103 3H5M T 10 3H5M T 3 -4.967 -3.755 10.924 104 H6 T 10 H6 T 3 -5.905 -1.576 11.054 105 1H5* C 11 1H5' C 4 -6.676 4.858 11.177 106 2H5* C 11 2H5' C 4 -7.490 6.117 10.221 107 H4* C 11 H4' C 4 -5.021 6.162 9.948 108 H3* C 11 H3' C 4 -6.914 6.001 7.733 109 1H2* C 11 1H2' C 4 -4.684 5.265 6.229 110 2H2* C 11 2H2' C 4 -5.914 4.128 6.834 111 H1* C 11 H1' C 4 -3.337 4.962 8.217 112 1H4 C 11 1H4 C 4 -3.079 -1.559 6.562 113 2H4 C 11 2H4 C 4 -1.451 -0.924 6.444 114 H5 C 11 H5 C 4 -5.009 -0.152 7.214 115 H6 C 11 H6 C 4 -5.683 2.076 7.840 116 1H5* T 12 1H5' T 5 -2.566 7.641 7.388 117 2H5* T 12 2H5' T 5 -2.525 9.065 6.324 118 H4* T 12 H4' T 5 -0.512 7.670 6.044 119 H3* T 12 H3' T 5 -2.267 8.427 3.848 120 1H2* T 12 1H2' T 5 -1.019 6.391 2.432 121 2H2* T 12 2H2' T 5 -2.620 6.231 3.199 122 H1* T 12 H1' T 5 0.081 5.578 4.437 123 H3 T 12 H3 T 5 -0.172 1.135 3.489 124 1H5M T 12 1H5M T 5 -4.770 1.077 4.431 125 2H5M T 12 2H5M T 5 -5.135 2.777 4.787 126 3H5M T 12 3H5M T 5 -5.065 2.218 3.101 127 H6 T 12 H6 T 5 -3.484 4.474 4.428 128 1H5* C 13 1H5' C3' 6 2.227 7.175 3.305 129 2H5* C 13 2H5' C3' 6 2.981 8.222 2.082 130 H4* C 13 H4' C3' 6 3.837 5.921 1.926 131 H3* C 13 H3' C3' 6 2.628 7.329 -0.319 132 1H2* C 13 1H2' C3' 6 2.414 4.832 -1.488 133 2H2* C 13 2H2' C3' 6 1.040 5.654 -0.681 134 H1* C 13 H1' C3' 6 3.030 3.725 0.585 135 1H4 C 13 1H4 C3' 6 -3.074 0.906 0.581 136 2H4 C 13 2H4 C3' 6 -1.905 -0.369 0.306 137 H5 C 13 H5 C3' 6 -2.413 3.283 0.820 138 H6 C 13 H6 C3' 6 -0.534 4.795 0.869 139 H3T C 13 3HO' C3' 6 4.850 6.771 -0.020 Start of MODEL 12 1 1H5* G 1 1H5' G5' 1 1.600 -9.987 -1.670 2 2H5* G 1 2H5' G5' 1 2.821 -10.816 -0.680 3 H4* G 1 H4' G5' 1 3.718 -8.702 -1.579 4 H3* G 1 H3' G5' 1 3.735 -9.413 1.201 5 1H2* G 1 1H2' G5' 1 3.845 -6.753 1.842 6 2H2* G 1 2H2' G5' 1 2.315 -7.674 1.834 7 H1* G 1 H1' G5' 1 3.483 -6.005 -0.429 8 H8 G 1 H8 G5' 1 -0.001 -6.978 1.074 9 H1 G 1 H1 G5' 1 0.917 -0.676 0.293 10 1H2 G 1 1H2 G5' 1 4.121 -1.582 -0.775 11 2H2 G 1 2H2 G5' 1 2.987 -0.287 -0.454 12 H5T G 1 H5' G5' 1 0.765 -10.743 0.327 13 1H5* A 2 1H5' A 2 6.320 -5.756 -0.252 14 2H5* A 2 2H5' A 2 7.923 -5.914 0.498 15 H4* A 2 H4' A 2 7.290 -3.572 0.370 16 H3* A 2 H3' A 2 8.038 -4.844 2.852 17 1H2* A 2 1H2' A 2 6.657 -2.976 4.222 18 2H2* A 2 2H2' A 2 5.938 -4.555 3.802 19 H1* A 2 H1' A 2 5.733 -1.970 2.204 20 H8 A 2 H8 A 2 3.606 -4.991 3.557 21 1H6 A 2 1H6 A 2 -0.933 -0.836 4.201 22 2H6 A 2 2H6 A 2 -0.490 -2.520 4.380 23 H2 A 2 H2 A 2 2.664 1.287 2.629 24 1H5* G 3 1H5' G 3 8.065 -0.109 2.269 25 2H5* G 3 2H5' G 3 9.530 0.481 3.084 26 H4* G 3 H4' G 3 7.738 2.127 3.274 27 H3* G 3 H3' G 3 9.155 1.062 5.541 28 1H2* G 3 1H2' G 3 7.022 1.652 7.130 29 2H2* G 3 2H2' G 3 7.260 0.027 6.429 30 H1* G 3 H1' G 3 5.627 2.311 5.252 31 H8 G 3 H8 G 3 5.531 -1.580 5.764 32 H1 G 3 H1 G 3 0.016 1.481 6.949 33 1H2 G 3 1H2 G 3 1.852 4.385 6.306 34 2H2 G 3 2H2 G 3 0.317 3.691 6.780 35 1H5* A 4 1H5' A 4 6.481 4.939 5.858 36 2H5* A 4 2H5' A 4 7.376 6.130 6.827 37 H4* A 4 H4' A 4 4.980 6.309 7.246 38 H3* A 4 H3' A 4 6.927 5.971 9.324 39 1H2* A 4 1H2' A 4 5.008 4.848 10.932 40 2H2* A 4 2H2' A 4 6.102 3.848 9.935 41 H1* A 4 H1' A 4 3.344 4.879 9.156 42 H8 A 4 H8 A 4 5.576 1.647 9.016 43 1H6 A 4 1H6 A 4 0.301 -1.406 10.126 44 2H6 A 4 2H6 A 4 2.019 -1.571 9.831 45 H2 A 4 H2 A 4 -0.605 2.957 10.146 46 1H5* G 5 1H5' G 5 2.729 8.173 9.851 47 2H5* G 5 2H5' G 5 2.982 9.488 11.020 48 H4* G 5 H4' G 5 0.654 8.632 11.041 49 H3* G 5 H3' G 5 2.253 9.059 13.355 50 1H2* G 5 1H2' G 5 1.018 7.052 14.687 51 2H2* G 5 2H2' G 5 2.547 6.791 13.806 52 H1* G 5 H1' G 5 -0.284 6.311 12.791 53 H8 G 5 H8 G 5 3.354 4.847 12.656 54 H1 G 5 H1 G 5 -1.311 0.491 13.246 55 1H2 G 5 1H2 G 5 -3.455 3.234 13.409 56 2H2 G 5 2H2 G 5 -3.283 1.493 13.484 57 1H5* A 6 1H5' A3' 6 -2.228 7.784 13.823 58 2H5* A 6 2H5' A3' 6 -2.983 8.800 15.070 59 H4* A 6 H4' A3' 6 -3.854 6.545 15.206 60 H3* A 6 H3' A3' 6 -2.639 7.882 17.441 61 1H2* A 6 1H2' A3' 6 -2.093 5.445 18.570 62 2H2* A 6 2H2' A3' 6 -0.870 6.340 17.612 63 H1* A 6 H1' A3' 6 -2.838 4.242 16.604 64 H8 A 6 H8 A3' 6 0.967 5.233 16.351 65 1H6 A 6 1H6 A3' 6 1.956 -0.872 16.249 66 2H6 A 6 2H6 A3' 6 2.707 0.710 16.236 67 H2 A 6 H2 A3' 6 -2.461 -0.188 16.516 68 H3T A 6 3HO' A3' 6 -4.358 5.614 17.296 69 1H5* T 8 1H5' T5' 1 -0.719 -9.664 18.261 70 2H5* T 8 2H5' T5' 1 -1.958 -10.565 17.360 71 H4* T 8 H4' T5' 1 -2.903 -8.492 18.287 72 H3* T 8 H3' T5' 1 -3.069 -9.242 15.536 73 1H2* T 8 1H2' T5' 1 -3.280 -6.603 14.817 74 2H2* T 8 2H2' T5' 1 -1.718 -7.461 14.806 75 H1* T 8 H1' T5' 1 -2.914 -5.851 17.099 76 H3 T 8 H3 T5' 1 -0.575 -2.058 16.068 77 1H5M T 8 1H5M T5' 1 2.348 -5.153 13.560 78 2H5M T 8 2H5M T5' 1 3.213 -4.694 15.045 79 3H5M T 8 3H5M T5' 1 2.540 -6.328 14.880 80 H6 T 8 H6 T5' 1 0.346 -6.738 15.526 81 H5T T 8 H5' T5' 1 -0.002 -8.835 16.243 82 1H5* C 9 1H5' C 2 -5.760 -5.675 17.201 83 2H5* C 9 2H5' C 2 -7.384 -5.932 16.528 84 H4* C 9 H4' C 2 -6.905 -3.548 16.700 85 H3* C 9 H3' C 2 -7.730 -4.824 14.259 86 1H2* C 9 1H2' C 2 -6.565 -2.794 12.847 87 2H2* C 9 2H2' C 2 -5.757 -4.352 13.134 88 H1* C 9 H1' C 2 -5.568 -1.817 14.814 89 1H4 C 9 1H4 C 2 0.458 -3.136 12.129 90 2H4 C 9 2H4 C 2 0.340 -1.398 12.296 91 H5 C 9 H5 C 2 -1.367 -4.664 12.773 92 H6 C 9 H6 C 2 -3.582 -4.780 13.697 93 1H5* T 10 1H5' T 3 -7.803 -0.160 14.644 94 2H5* T 10 2H5' T 3 -9.294 0.465 13.908 95 H4* T 10 H4' T 3 -7.411 1.958 13.498 96 H3* T 10 H3' T 3 -9.022 0.822 11.348 97 1H2* T 10 1H2' T 3 -6.956 1.638 9.682 98 2H2* T 10 2H2' T 3 -7.213 -0.040 10.221 99 H1* T 10 H1' T 3 -5.468 2.080 11.519 100 H3 T 10 H3 T 3 -1.582 0.468 9.802 101 1H5M T 10 1H5M T 3 -4.349 -3.647 9.127 102 2H5M T 10 2H5M T 3 -3.064 -3.954 10.316 103 3H5M T 10 3H5M T 3 -4.744 -3.764 10.857 104 H6 T 10 H6 T 3 -5.744 -1.605 10.964 105 1H5* C 11 1H5' C 4 -6.655 4.826 11.128 106 2H5* C 11 2H5' C 4 -7.516 6.042 10.158 107 H4* C 11 H4' C 4 -5.055 6.147 9.843 108 H3* C 11 H3' C 4 -6.973 5.897 7.662 109 1H2* C 11 1H2' C 4 -4.791 5.130 6.136 110 2H2* C 11 2H2' C 4 -5.974 3.992 6.827 111 H1* C 11 H1' C 4 -3.379 4.946 8.099 112 1H4 C 11 1H4 C 4 -2.946 -1.588 6.534 113 2H4 C 11 2H4 C 4 -1.341 -0.905 6.385 114 H5 C 11 H5 C 4 -4.906 -0.236 7.212 115 H6 C 11 H6 C 4 -5.638 1.975 7.834 116 1H5* T 12 1H5' T 5 -2.642 7.605 7.311 117 2H5* T 12 2H5' T 5 -2.661 9.032 6.253 118 H4* T 12 H4' T 5 -0.548 7.786 6.047 119 H3* T 12 H3' T 5 -2.205 8.521 3.808 120 1H2* T 12 1H2' T 5 -1.071 6.473 2.372 121 2H2* T 12 2H2' T 5 -2.636 6.305 3.211 122 H1* T 12 H1' T 5 0.123 5.655 4.326 123 H3 T 12 H3 T 5 -0.143 1.206 3.388 124 1H5M T 12 1H5M T 5 -5.031 2.263 3.068 125 2H5M T 12 2H5M T 5 -4.726 1.154 4.423 126 3H5M T 12 3H5M T 5 -5.093 2.861 4.741 127 H6 T 12 H6 T 5 -3.436 4.544 4.386 128 1H5* C 13 1H5' C3' 6 2.317 7.190 3.254 129 2H5* C 13 2H5' C3' 6 3.053 8.263 2.043 130 H4* C 13 H4' C3' 6 3.922 5.971 1.833 131 H3* C 13 H3' C3' 6 2.691 7.423 -0.366 132 1H2* C 13 1H2' C3' 6 2.426 4.959 -1.587 133 2H2* C 13 2H2' C3' 6 1.077 5.768 -0.727 134 H1* C 13 H1' C3' 6 3.084 3.800 0.447 135 1H4 C 13 1H4 C3' 6 -3.020 0.989 0.534 136 2H4 C 13 2H4 C3' 6 -1.858 -0.280 0.206 137 H5 C 13 H5 C3' 6 -2.352 3.362 0.799 138 H6 C 13 H6 C3' 6 -0.471 4.872 0.838 139 H3T C 13 3HO' C3' 6 4.587 5.298 -0.253 No H/Q in entry = 139
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