NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2209 | 1bjh | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G5' 1 5.872 -9.156 -8.049 2 2H5* G 1 2H5' G5' 1 7.416 -8.287 -8.145 3 H4* G 1 H4' G5' 1 7.147 -9.170 -5.897 4 H3* G 1 H3' G5' 1 4.358 -8.136 -6.114 5 1H2* G 1 1H2' G5' 1 4.967 -7.613 -3.398 6 2H2* G 1 2H2' G5' 1 4.742 -6.444 -4.725 7 H1* G 1 H1' G5' 1 7.306 -7.667 -3.711 8 H8 G 1 H8 G5' 1 7.179 -4.464 -5.786 9 H1 G 1 H1 G5' 1 6.926 -3.286 0.522 10 1H2 G 1 1H2 G5' 1 6.410 -6.752 0.800 11 2H2 G 1 2H2 G5' 1 6.512 -5.213 1.635 12 H5T G 1 H5' G5' 1 4.849 -7.125 -7.803 13 1H5* T 2 1H5' T 2 5.485 -9.793 -2.089 14 2H5* T 2 2H5' T 2 4.311 -11.036 -1.595 15 H4* T 2 H4' T 2 4.758 -9.563 0.287 16 H3* T 2 H3' T 2 2.151 -10.114 -0.634 17 1H2* T 2 1H2' T 2 1.230 -7.608 0.009 18 2H2* T 2 2H2' T 2 1.851 -7.992 -1.621 19 H1* T 2 H1' T 2 3.377 -6.950 0.791 20 H3 T 2 H3 T 2 3.946 -2.583 -0.396 21 1H5M T 2 1H5M T 2 2.341 -3.620 -4.751 22 2H5M T 2 2H5M T 2 3.993 -4.206 -5.014 23 3H5M T 2 3H5M T 2 2.639 -5.358 -4.895 24 H6 T 2 H6 T 2 2.858 -6.523 -2.904 25 1H5* A 3 1H5' A 3 2.249 -7.596 3.717 26 2H5* A 3 2H5' A 3 0.922 -8.406 4.576 27 H4* A 3 H4' A 3 0.796 -6.070 5.072 28 H3* A 3 H3' A 3 -1.398 -7.442 3.799 29 1H2* A 3 1H2' A 3 -2.262 -5.006 2.820 30 2H2* A 3 2H2' A 3 -1.255 -6.134 1.861 31 H1* A 3 H1' A 3 -0.345 -3.863 3.663 32 H8 A 3 H8 A 3 0.076 -5.397 0.089 33 1H6 A 3 1H6 A 3 1.769 0.261 -1.722 34 2H6 A 3 2H6 A 3 1.569 -1.410 -2.198 35 H2 A 3 H2 A 3 0.731 0.471 2.626 36 1H5* C 4 1H5' C 4 -1.962 -3.408 6.262 37 2H5* C 4 2H5' C 4 -3.523 -3.457 7.105 38 H4* C 4 H4' C 4 -2.913 -1.190 6.337 39 H3* C 4 H3' C 4 -5.461 -2.345 5.994 40 1H2* C 4 1H2' C 4 -5.868 -1.181 3.552 41 2H2* C 4 2H2' C 4 -5.107 -2.779 3.695 42 H1* C 4 H1' C 4 -3.724 -0.071 3.732 43 1H4 C 4 1H4 C 4 -1.960 -2.816 -2.149 44 2H4 C 4 2H4 C 4 -1.468 -1.132 -2.164 45 H5 C 4 H5 C 4 -3.058 -3.845 -0.160 46 H6 C 4 H6 C 4 -3.870 -3.403 2.062 47 1H5* A 5 1H5' A 5 -4.873 1.864 4.215 48 2H5* A 5 2H5' A 5 -6.204 2.967 4.587 49 H4* A 5 H4' A 5 -5.462 3.097 2.227 50 H3* A 5 H3' A 5 -8.128 3.079 3.026 51 1H2* A 5 1H2' A 5 -9.025 1.368 1.136 52 2H2* A 5 2H2' A 5 -8.329 0.694 2.616 53 H1* A 5 H1' A 5 -6.837 1.335 0.049 54 H8 A 5 H8 A 5 -8.282 -1.562 2.002 55 1H6 A 5 1H6 A 5 -5.475 -5.131 -2.212 56 2H6 A 5 2H6 A 5 -6.493 -5.120 -0.784 57 H2 A 5 H2 A 5 -4.335 -0.882 -3.010 58 1H5* A 6 1H5' A 6 -6.918 5.115 -1.407 59 2H5* A 6 2H5' A 6 -8.250 5.739 -2.170 60 H4* A 6 H4' A 6 -6.566 4.415 -3.639 61 H3* A 6 H3' A 6 -9.195 4.754 -4.435 62 1H2* A 6 1H2' A 6 -9.614 2.199 -5.086 63 2H2* A 6 2H2' A 6 -9.962 2.663 -3.397 64 H1* A 6 H1' A 6 -7.463 1.409 -4.529 65 H8 A 6 H8 A 6 -9.696 1.452 -1.397 66 1H6 A 6 1H6 A 6 -9.531 -4.729 -1.804 67 2H6 A 6 2H6 A 6 -10.108 -3.365 -0.864 68 H2 A 6 H2 A 6 -7.068 -3.043 -5.130 69 1H5* A 7 1H5' A 7 -5.965 6.408 -8.337 70 2H5* A 7 2H5' A 7 -5.518 4.997 -7.379 71 H4* A 7 H4' A 7 -5.742 7.876 -6.329 72 H3* A 7 H3' A 7 -3.658 7.104 -7.945 73 1H2* A 7 1H2' A 7 -1.915 6.412 -5.935 74 2H2* A 7 2H2' A 7 -3.062 5.209 -6.545 75 H1* A 7 H1' A 7 -3.398 7.102 -4.158 76 H8 A 7 H8 A 7 -3.557 3.343 -5.275 77 1H6 A 7 1H6 A 7 -3.975 1.988 0.710 78 2H6 A 7 2H6 A 7 -4.152 1.375 -0.922 79 H2 A 7 H2 A 7 -3.306 6.404 0.367 80 1H5* G 8 1H5' G 8 -2.551 9.363 -4.024 81 2H5* G 8 2H5' G 8 -1.198 10.482 -4.232 82 H4* G 8 H4' G 8 -1.121 9.227 -2.104 83 H3* G 8 H3' G 8 1.175 9.249 -3.978 84 1H2* G 8 1H2' G 8 2.083 7.170 -2.461 85 2H2* G 8 2H2' G 8 1.284 7.007 -4.031 86 H1* G 8 H1' G 8 -0.032 6.874 -1.283 87 H8 G 8 H8 G 8 -0.017 5.275 -4.839 88 H1 G 8 H1 G 8 -1.159 1.123 -0.090 89 1H2 G 8 1H2 G 8 -0.759 3.927 1.993 90 2H2 G 8 2H2 G 8 -1.150 2.222 1.889 91 1H5* T 9 1H5' T 9 0.892 9.184 0.701 92 2H5* T 9 2H5' T 9 2.287 9.965 1.460 93 H4* T 9 H4' T 9 1.302 8.090 2.787 94 H3* T 9 H3' T 9 4.063 8.592 2.378 95 1H2* T 9 1H2' T 9 4.642 5.907 2.503 96 2H2* T 9 2H2' T 9 4.386 6.765 0.961 97 H1* T 9 H1' T 9 2.359 5.275 2.669 98 H3 T 9 H3 T 9 2.198 1.491 0.078 99 1H5M T 9 1H5M T 9 2.683 4.653 -3.701 100 2H5M T 9 2H5M T 9 4.010 5.608 -3.007 101 3H5M T 9 3H5M T 9 4.278 3.919 -3.465 102 H6 T 9 H6 T 9 3.346 6.051 -0.850 103 1H5* A 10 1H5' A 10 2.477 5.489 5.635 104 2H5* A 10 2H5' A 10 3.476 5.676 7.090 105 H4* A 10 H4' A 10 2.738 3.360 6.799 106 H3* A 10 H3' A 10 5.462 4.112 7.235 107 1H2* A 10 1H2' A 10 6.342 1.904 5.870 108 2H2* A 10 2H2' A 10 6.113 3.473 5.060 109 H1* A 10 H1' A 10 4.059 1.229 5.307 110 H8 A 10 H8 A 10 5.703 3.674 2.715 111 1H6 A 10 1H6 A 10 4.655 -0.803 -1.438 112 2H6 A 10 2H6 A 10 5.249 0.827 -1.194 113 H2 A 10 H2 A 10 3.379 -2.306 2.576 114 1H5* C 11 1H5' C3' 11 3.808 -0.286 7.657 115 2H5* C 11 2H5' C3' 11 4.562 -1.086 9.051 116 H4* C 11 H4' C3' 11 4.086 -2.661 7.205 117 H3* C 11 H3' C3' 11 6.627 -2.458 8.534 118 1H2* C 11 1H2' C3' 11 7.861 -3.423 6.278 119 2H2* C 11 2H2' C3' 11 7.739 -1.673 6.618 120 H1* C 11 H1' C3' 11 5.768 -3.399 5.046 121 1H4 C 11 1H4 C3' 11 8.524 1.011 0.751 122 2H4 C 11 2H4 C3' 11 8.091 -0.431 -0.150 123 H5 C 11 H5 C3' 11 8.203 1.158 3.224 124 H6 C 11 H6 C3' 11 7.320 0.004 5.140 125 H3T C 11 HO3' C3' 11 5.239 -4.308 8.363 Start of MODEL 2 1 1H5* G 1 1H5' G5' 1 6.041 -7.507 -7.969 2 2H5* G 1 2H5' G5' 1 7.668 -8.217 -8.022 3 H4* G 1 H4' G5' 1 7.366 -9.102 -5.721 4 H3* G 1 H3' G5' 1 4.577 -8.060 -6.107 5 1H2* G 1 1H2' G5' 1 5.122 -7.594 -3.341 6 2H2* G 1 2H2' G5' 1 4.866 -6.415 -4.653 7 H1* G 1 H1' G5' 1 7.449 -7.586 -3.637 8 H8 G 1 H8 G5' 1 7.311 -4.374 -5.693 9 H1 G 1 H1 G5' 1 6.937 -3.254 0.620 10 1H2 G 1 1H2 G5' 1 6.451 -6.727 0.857 11 2H2 G 1 2H2 G5' 1 6.521 -5.195 1.708 12 H5T G 1 H5' G5' 1 5.273 -9.679 -7.597 13 1H5* T 2 1H5' T 2 5.582 -9.742 -2.090 14 2H5* T 2 2H5' T 2 4.405 -10.987 -1.610 15 H4* T 2 H4' T 2 4.842 -9.519 0.281 16 H3* T 2 H3' T 2 2.241 -10.077 -0.650 17 1H2* T 2 1H2' T 2 1.308 -7.577 -0.006 18 2H2* T 2 2H2' T 2 1.937 -7.952 -1.635 19 H1* T 2 H1' T 2 3.448 -6.908 0.785 20 H3 T 2 H3 T 2 3.991 -2.536 -0.393 21 1H5M T 2 1H5M T 2 2.460 -3.579 -4.773 22 2H5M T 2 2H5M T 2 4.116 -4.166 -5.005 23 3H5M T 2 3H5M T 2 2.761 -5.317 -4.909 24 H6 T 2 H6 T 2 2.957 -6.481 -2.915 25 1H5* A 3 1H5' A 3 2.340 -7.560 3.696 26 2H5* A 3 2H5' A 3 1.021 -8.375 4.564 27 H4* A 3 H4' A 3 0.899 -6.039 5.066 28 H3* A 3 H3' A 3 -1.306 -7.418 3.832 29 1H2* A 3 1H2' A 3 -2.194 -5.000 2.837 30 2H2* A 3 2H2' A 3 -1.183 -6.125 1.878 31 H1* A 3 H1' A 3 -0.282 -3.838 3.662 32 H8 A 3 H8 A 3 0.137 -5.380 0.090 33 1H6 A 3 1H6 A 3 1.777 0.284 -1.746 34 2H6 A 3 2H6 A 3 1.593 -1.392 -2.213 35 H2 A 3 H2 A 3 0.728 0.506 2.600 36 1H5* C 4 1H5' C 4 -1.877 -3.354 6.268 37 2H5* C 4 2H5' C 4 -3.430 -3.418 7.125 38 H4* C 4 H4' C 4 -2.865 -1.149 6.330 39 H3* C 4 H3' C 4 -5.395 -2.351 6.012 40 1H2* C 4 1H2' C 4 -5.835 -1.213 3.563 41 2H2* C 4 2H2' C 4 -5.048 -2.797 3.715 42 H1* C 4 H1' C 4 -3.709 -0.067 3.723 43 1H4 C 4 1H4 C 4 -1.931 -2.826 -2.147 44 2H4 C 4 2H4 C 4 -1.462 -1.136 -2.175 45 H5 C 4 H5 C 4 -3.011 -3.857 -0.148 46 H6 C 4 H6 C 4 -3.817 -3.411 2.075 47 1H5* A 5 1H5' A 5 -4.876 1.858 4.207 48 2H5* A 5 2H5' A 5 -6.221 2.943 4.578 49 H4* A 5 H4' A 5 -5.479 3.076 2.217 50 H3* A 5 H3' A 5 -8.143 3.045 3.017 51 1H2* A 5 1H2' A 5 -9.032 1.317 1.139 52 2H2* A 5 2H2' A 5 -8.329 0.655 2.621 53 H1* A 5 H1' A 5 -6.848 1.290 0.047 54 H8 A 5 H8 A 5 -8.263 -1.604 2.026 55 1H6 A 5 1H6 A 5 -5.439 -5.181 -2.171 56 2H6 A 5 2H6 A 5 -6.453 -5.168 -0.739 57 H2 A 5 H2 A 5 -4.337 -0.929 -3.004 58 1H5* A 6 1H5' A 6 -6.954 5.060 -1.435 59 2H5* A 6 2H5' A 6 -8.295 5.674 -2.192 60 H4* A 6 H4' A 6 -6.612 4.358 -3.668 61 H3* A 6 H3' A 6 -9.250 4.673 -4.445 62 1H2* A 6 1H2' A 6 -9.652 2.114 -5.085 63 2H2* A 6 2H2' A 6 -9.991 2.579 -3.395 64 H1* A 6 H1' A 6 -7.489 1.345 -4.543 65 H8 A 6 H8 A 6 -9.702 1.372 -1.396 66 1H6 A 6 1H6 A 6 -9.468 -4.808 -1.786 67 2H6 A 6 2H6 A 6 -10.058 -3.448 -0.848 68 H2 A 6 H2 A 6 -7.043 -3.104 -5.130 69 1H5* A 7 1H5' A 7 -6.044 6.336 -8.364 70 2H5* A 7 2H5' A 7 -5.587 4.932 -7.401 71 H4* A 7 H4' A 7 -5.815 7.816 -6.365 72 H3* A 7 H3' A 7 -3.736 7.040 -7.988 73 1H2* A 7 1H2' A 7 -1.981 6.368 -5.981 74 2H2* A 7 2H2' A 7 -3.127 5.158 -6.578 75 H1* A 7 H1' A 7 -3.461 7.067 -4.202 76 H8 A 7 H8 A 7 -3.591 3.297 -5.289 77 1H6 A 7 1H6 A 7 -3.988 1.983 0.705 78 2H6 A 7 2H6 A 7 -4.162 1.358 -0.923 79 H2 A 7 H2 A 7 -3.358 6.403 0.329 80 1H5* G 8 1H5' G 8 -2.633 9.337 -4.090 81 2H5* G 8 2H5' G 8 -1.289 10.463 -4.310 82 H4* G 8 H4' G 8 -1.205 9.229 -2.168 83 H3* G 8 H3' G 8 1.094 9.261 -4.036 84 1H2* G 8 1H2' G 8 2.020 7.197 -2.511 85 2H2* G 8 2H2' G 8 1.221 7.019 -4.080 86 H1* G 8 H1' G 8 -0.091 6.889 -1.330 87 H8 G 8 H8 G 8 -0.062 5.269 -4.877 88 H1 G 8 H1 G 8 -1.165 1.135 -0.102 89 1H2 G 8 1H2 G 8 -0.794 3.956 1.963 90 2H2 G 8 2H2 G 8 -1.168 2.247 1.870 91 1H5* T 9 1H5' T 9 0.801 9.207 0.641 92 2H5* T 9 2H5' T 9 2.185 10.009 1.400 93 H4* T 9 H4' T 9 1.221 8.129 2.733 94 H3* T 9 H3' T 9 3.976 8.660 2.327 95 1H2* T 9 1H2' T 9 4.586 5.983 2.461 96 2H2* T 9 2H2' T 9 4.321 6.832 0.916 97 H1* T 9 H1' T 9 2.311 5.324 2.627 98 H3 T 9 H3 T 9 2.190 1.529 0.051 99 1H5M T 9 1H5M T 9 4.243 3.960 -3.503 100 2H5M T 9 2H5M T 9 2.645 4.689 -3.738 101 3H5M T 9 3H5M T 9 3.970 5.649 -3.048 102 H6 T 9 H6 T 9 3.293 6.097 -0.894 103 1H5* A 10 1H5' A 10 2.412 5.564 5.589 104 2H5* A 10 2H5' A 10 3.404 5.755 7.049 105 H4* A 10 H4' A 10 2.667 3.438 6.749 106 H3* A 10 H3' A 10 5.381 4.186 7.229 107 1H2* A 10 1H2' A 10 6.297 2.007 5.846 108 2H2* A 10 2H2' A 10 6.053 3.579 5.046 109 H1* A 10 H1' A 10 4.022 1.312 5.266 110 H8 A 10 H8 A 10 5.677 3.770 2.694 111 1H6 A 10 1H6 A 10 4.712 -0.718 -1.468 112 2H6 A 10 2H6 A 10 5.287 0.918 -1.221 113 H2 A 10 H2 A 10 3.402 -2.227 2.529 114 1H5* C 11 1H5' C3' 11 3.630 -0.181 7.658 115 2H5* C 11 2H5' C3' 11 4.347 -0.976 9.073 116 H4* C 11 H4' C3' 11 3.798 -2.569 7.260 117 H3* C 11 H3' C3' 11 6.298 -2.497 8.637 118 1H2* C 11 1H2' C3' 11 7.598 -3.457 6.421 119 2H2* C 11 2H2' C3' 11 7.491 -1.708 6.761 120 H1* C 11 H1' C3' 11 5.556 -3.399 5.107 121 1H4 C 11 1H4 C3' 11 8.512 1.014 0.954 122 2H4 C 11 2H4 C3' 11 8.121 -0.426 0.030 123 H5 C 11 H5 C3' 11 8.096 1.147 3.415 124 H6 C 11 H6 C3' 11 7.124 -0.011 5.284 125 H3T C 11 HO3' C3' 11 6.311 -4.698 7.972 Start of MODEL 3 1 1H5* G 1 1H5' G5' 1 5.926 -9.140 -8.006 2 2H5* G 1 2H5' G5' 1 7.466 -8.263 -8.100 3 H4* G 1 H4' G5' 1 7.201 -9.158 -5.855 4 H3* G 1 H3' G5' 1 4.408 -8.139 -6.068 5 1H2* G 1 1H2' G5' 1 5.011 -7.606 -3.354 6 2H2* G 1 2H2' G5' 1 4.785 -6.441 -4.684 7 H1* G 1 H1' G5' 1 7.350 -7.653 -3.661 8 H8 G 1 H8 G5' 1 7.227 -4.453 -5.739 9 H1 G 1 H1 G5' 1 6.927 -3.268 0.566 10 1H2 G 1 1H2 G5' 1 6.421 -6.736 0.844 11 2H2 G 1 2H2 G5' 1 6.514 -5.196 1.678 12 H5T G 1 H5' G5' 1 4.893 -7.115 -7.750 13 1H5* T 2 1H5' T 2 5.531 -9.778 -2.033 14 2H5* T 2 2H5' T 2 4.363 -11.027 -1.543 15 H4* T 2 H4' T 2 4.784 -9.547 0.337 16 H3* T 2 H3' T 2 2.188 -10.113 -0.607 17 1H2* T 2 1H2' T 2 1.250 -7.609 0.027 18 2H2* T 2 2H2' T 2 1.886 -7.994 -1.597 19 H1* T 2 H1' T 2 3.388 -6.942 0.825 20 H3 T 2 H3 T 2 3.948 -2.575 -0.363 21 1H5M T 2 1H5M T 2 2.378 -3.621 -4.727 22 2H5M T 2 2H5M T 2 4.033 -4.204 -4.979 23 3H5M T 2 3H5M T 2 2.680 -5.359 -4.867 24 H6 T 2 H6 T 2 2.895 -6.521 -2.874 25 1H5* A 3 1H5' A 3 2.240 -7.593 3.742 26 2H5* A 3 2H5' A 3 0.909 -8.406 4.592 27 H4* A 3 H4' A 3 0.771 -6.071 5.086 28 H3* A 3 H3' A 3 -1.408 -7.449 3.798 29 1H2* A 3 1H2' A 3 -2.272 -5.020 2.804 30 2H2* A 3 2H2' A 3 -1.250 -6.146 1.858 31 H1* A 3 H1' A 3 -0.367 -3.869 3.665 32 H8 A 3 H8 A 3 0.089 -5.401 0.094 33 1H6 A 3 1H6 A 3 1.776 0.265 -1.700 34 2H6 A 3 2H6 A 3 1.587 -1.407 -2.178 35 H2 A 3 H2 A 3 0.706 0.468 2.641 36 1H5* C 4 1H5' C 4 -2.013 -3.410 6.247 37 2H5* C 4 2H5' C 4 -3.583 -3.464 7.073 38 H4* C 4 H4' C 4 -2.978 -1.197 6.303 39 H3* C 4 H3' C 4 -5.515 -2.369 5.933 40 1H2* C 4 1H2' C 4 -5.900 -1.208 3.485 41 2H2* C 4 2H2' C 4 -5.133 -2.803 3.639 42 H1* C 4 H1' C 4 -3.763 -0.088 3.691 43 1H4 C 4 1H4 C 4 -1.927 -2.822 -2.174 44 2H4 C 4 2H4 C 4 -1.444 -1.135 -2.182 45 H5 C 4 H5 C 4 -3.041 -3.858 -0.196 46 H6 C 4 H6 C 4 -3.874 -3.421 2.020 47 1H5* A 5 1H5' A 5 -4.926 1.841 4.159 48 2H5* A 5 2H5' A 5 -6.265 2.939 4.518 49 H4* A 5 H4' A 5 -5.498 3.078 2.167 50 H3* A 5 H3' A 5 -8.173 3.046 2.936 51 1H2* A 5 1H2' A 5 -9.041 1.338 1.029 52 2H2* A 5 2H2' A 5 -8.361 0.661 2.516 53 H1* A 5 H1' A 5 -6.840 1.317 -0.030 54 H8 A 5 H8 A 5 -8.295 -1.593 1.896 55 1H6 A 5 1H6 A 5 -5.424 -5.135 -2.299 56 2H6 A 5 2H6 A 5 -6.458 -5.134 -0.883 57 H2 A 5 H2 A 5 -4.293 -0.878 -3.068 58 1H5* A 6 1H5' A 6 -6.922 5.099 -1.480 59 2H5* A 6 2H5' A 6 -8.252 5.724 -2.247 60 H4* A 6 H4' A 6 -6.555 4.417 -3.715 61 H3* A 6 H3' A 6 -9.182 4.749 -4.522 62 1H2* A 6 1H2' A 6 -9.584 2.197 -5.191 63 2H2* A 6 2H2' A 6 -9.944 2.648 -3.501 64 H1* A 6 H1' A 6 -7.433 1.414 -4.629 65 H8 A 6 H8 A 6 -9.686 1.422 -1.511 66 1H6 A 6 1H6 A 6 -9.464 -4.755 -1.948 67 2H6 A 6 2H6 A 6 -10.063 -3.402 -1.007 68 H2 A 6 H2 A 6 -6.988 -3.031 -5.244 69 1H5* A 7 1H5' A 7 -5.921 6.449 -8.374 70 2H5* A 7 2H5' A 7 -5.481 5.029 -7.426 71 H4* A 7 H4' A 7 -5.713 7.897 -6.349 72 H3* A 7 H3' A 7 -3.616 7.137 -7.956 73 1H2* A 7 1H2' A 7 -1.890 6.432 -5.936 74 2H2* A 7 2H2' A 7 -3.031 5.233 -6.565 75 H1* A 7 H1' A 7 -3.392 7.110 -4.168 76 H8 A 7 H8 A 7 -3.519 3.357 -5.307 77 1H6 A 7 1H6 A 7 -3.985 1.966 0.666 78 2H6 A 7 2H6 A 7 -4.146 1.361 -0.970 79 H2 A 7 H2 A 7 -3.341 6.388 0.354 80 1H5* G 8 1H5' G 8 -2.550 9.372 -4.012 81 2H5* G 8 2H5' G 8 -1.199 10.496 -4.201 82 H4* G 8 H4' G 8 -1.139 9.231 -2.078 83 H3* G 8 H3' G 8 1.176 9.267 -3.930 84 1H2* G 8 1H2' G 8 2.075 7.185 -2.414 85 2H2* G 8 2H2' G 8 1.290 7.026 -3.992 86 H1* G 8 H1' G 8 -0.050 6.879 -1.257 87 H8 G 8 H8 G 8 0.001 5.293 -4.820 88 H1 G 8 H1 G 8 -1.162 1.119 -0.093 89 1H2 G 8 1H2 G 8 -0.793 3.919 2.001 90 2H2 G 8 2H2 G 8 -1.175 2.212 1.889 91 1H5* T 9 1H5' T 9 0.848 9.177 0.747 92 2H5* T 9 2H5' T 9 2.232 9.963 1.521 93 H4* T 9 H4' T 9 1.250 8.078 2.834 94 H3* T 9 H3' T 9 4.011 8.594 2.442 95 1H2* T 9 1H2' T 9 4.602 5.911 2.561 96 2H2* T 9 2H2' T 9 4.351 6.774 1.021 97 H1* T 9 H1' T 9 2.321 5.269 2.712 98 H3 T 9 H3 T 9 2.192 1.492 0.107 99 1H5M T 9 1H5M T 9 4.011 5.626 -2.951 100 2H5M T 9 2H5M T 9 4.284 3.940 -3.415 101 3H5M T 9 3H5M T 9 2.689 4.672 -3.658 102 H6 T 9 H6 T 9 3.326 6.060 -0.799 103 1H5* A 10 1H5' A 10 2.428 5.472 5.681 104 2H5* A 10 2H5' A 10 3.419 5.663 7.142 105 H4* A 10 H4' A 10 2.700 3.343 6.847 106 H3* A 10 H3' A 10 5.419 4.113 7.286 107 1H2* A 10 1H2' A 10 6.316 1.913 5.918 108 2H2* A 10 2H2' A 10 6.075 3.483 5.111 109 H1* A 10 H1' A 10 4.037 1.224 5.354 110 H8 A 10 H8 A 10 5.670 3.679 2.766 111 1H6 A 10 1H6 A 10 4.648 -0.797 -1.394 112 2H6 A 10 2H6 A 10 5.236 0.834 -1.146 113 H2 A 10 H2 A 10 3.367 -2.309 2.617 114 1H5* C 11 1H5' C3' 11 3.793 -0.297 7.707 115 2H5* C 11 2H5' C3' 11 4.556 -1.094 9.098 116 H4* C 11 H4' C3' 11 4.085 -2.667 7.248 117 H3* C 11 H3' C3' 11 6.626 -2.456 8.576 118 1H2* C 11 1H2' C3' 11 7.864 -3.406 6.318 119 2H2* C 11 2H2' C3' 11 7.732 -1.658 6.662 120 H1* C 11 H1' C3' 11 5.769 -3.391 5.087 121 1H4 C 11 1H4 C3' 11 8.505 1.038 0.799 122 2H4 C 11 2H4 C3' 11 8.081 -0.406 -0.104 123 H5 C 11 H5 C3' 11 8.182 1.181 3.271 124 H6 C 11 H6 C3' 11 7.304 0.020 5.186 125 H3T C 11 HO3' C3' 11 5.248 -4.312 8.400 Start of MODEL 4 1 1H5* G 1 1H5' G5' 1 7.536 -8.249 -8.074 2 2H5* G 1 2H5' G5' 1 6.021 -9.172 -7.975 3 H4* G 1 H4' G5' 1 7.268 -9.149 -5.815 4 H3* G 1 H3' G5' 1 4.474 -8.132 -6.068 5 1H2* G 1 1H2' G5' 1 5.058 -7.592 -3.345 6 2H2* G 1 2H2' G5' 1 4.829 -6.434 -4.680 7 H1* G 1 H1' G5' 1 7.397 -7.628 -3.643 8 H8 G 1 H8 G5' 1 7.270 -4.438 -5.736 9 H1 G 1 H1 G5' 1 6.945 -3.230 0.564 10 1H2 G 1 1H2 G5' 1 6.449 -6.698 0.853 11 2H2 G 1 2H2 G5' 1 6.535 -5.155 1.682 12 H5T G 1 H5' G5' 1 6.268 -6.353 -7.724 13 1H5* T 2 1H5' T 2 5.581 -9.760 -2.019 14 2H5* T 2 2H5' T 2 4.414 -11.009 -1.528 15 H4* T 2 H4' T 2 4.834 -9.524 0.350 16 H3* T 2 H3' T 2 2.239 -10.102 -0.589 17 1H2* T 2 1H2' T 2 1.292 -7.601 0.038 18 2H2* T 2 2H2' T 2 1.927 -7.987 -1.586 19 H1* T 2 H1' T 2 3.427 -6.921 0.831 20 H3 T 2 H3 T 2 3.964 -2.555 -0.374 21 1H5M T 2 1H5M T 2 2.409 -3.628 -4.737 22 2H5M T 2 2H5M T 2 4.067 -4.201 -4.982 23 3H5M T 2 3H5M T 2 2.722 -5.364 -4.870 24 H6 T 2 H6 T 2 2.934 -6.517 -2.871 25 1H5* A 3 1H5' A 3 2.285 -7.570 3.751 26 2H5* A 3 2H5' A 3 0.958 -8.385 4.606 27 H4* A 3 H4' A 3 0.815 -6.048 5.091 28 H3* A 3 H3' A 3 -1.365 -7.439 3.816 29 1H2* A 3 1H2' A 3 -2.240 -5.015 2.822 30 2H2* A 3 2H2' A 3 -1.222 -6.140 1.872 31 H1* A 3 H1' A 3 -0.335 -3.855 3.668 32 H8 A 3 H8 A 3 0.116 -5.401 0.101 33 1H6 A 3 1H6 A 3 1.778 0.262 -1.722 34 2H6 A 3 2H6 A 3 1.593 -1.412 -2.193 35 H2 A 3 H2 A 3 0.715 0.481 2.620 36 1H5* C 4 1H5' C 4 -1.975 -3.399 6.266 37 2H5* C 4 2H5' C 4 -3.542 -3.460 7.098 38 H4* C 4 H4' C 4 -2.947 -1.189 6.327 39 H3* C 4 H3' C 4 -5.482 -2.366 5.973 40 1H2* C 4 1H2' C 4 -5.884 -1.215 3.524 41 2H2* C 4 2H2' C 4 -5.111 -2.806 3.678 42 H1* C 4 H1' C 4 -3.752 -0.086 3.712 43 1H4 C 4 1H4 C 4 -1.931 -2.841 -2.148 44 2H4 C 4 2H4 C 4 -1.454 -1.153 -2.167 45 H5 C 4 H5 C 4 -3.032 -3.871 -0.161 46 H6 C 4 H6 C 4 -3.859 -3.426 2.055 47 1H5* A 5 1H5' A 5 -4.919 1.841 4.180 48 2H5* A 5 2H5' A 5 -6.260 2.935 4.545 49 H4* A 5 H4' A 5 -5.507 3.067 2.188 50 H3* A 5 H3' A 5 -8.176 3.038 2.974 51 1H2* A 5 1H2' A 5 -9.056 1.315 1.087 52 2H2* A 5 2H2' A 5 -8.365 0.650 2.574 53 H1* A 5 H1' A 5 -6.867 1.284 0.009 54 H8 A 5 H8 A 5 -8.306 -1.608 1.972 55 1H6 A 5 1H6 A 5 -5.447 -5.190 -2.197 56 2H6 A 5 2H6 A 5 -6.476 -5.175 -0.776 57 H2 A 5 H2 A 5 -4.324 -0.940 -3.014 58 1H5* A 6 1H5' A 6 -6.956 5.059 -1.460 59 2H5* A 6 2H5' A 6 -8.287 5.675 -2.233 60 H4* A 6 H4' A 6 -6.590 4.353 -3.688 61 H3* A 6 H3' A 6 -9.218 4.674 -4.496 62 1H2* A 6 1H2' A 6 -9.619 2.115 -5.138 63 2H2* A 6 2H2' A 6 -9.978 2.585 -3.453 64 H1* A 6 H1' A 6 -7.467 1.339 -4.568 65 H8 A 6 H8 A 6 -9.719 1.380 -1.449 66 1H6 A 6 1H6 A 6 -9.501 -4.801 -1.825 67 2H6 A 6 2H6 A 6 -10.097 -3.437 -0.896 68 H2 A 6 H2 A 6 -7.030 -3.112 -5.142 69 1H5* A 7 1H5' A 7 -5.981 6.332 -8.390 70 2H5* A 7 2H5' A 7 -5.532 4.926 -7.426 71 H4* A 7 H4' A 7 -5.771 7.807 -6.386 72 H3* A 7 H3' A 7 -3.676 7.034 -7.990 73 1H2* A 7 1H2' A 7 -1.941 6.362 -5.967 74 2H2* A 7 2H2' A 7 -3.078 5.151 -6.577 75 H1* A 7 H1' A 7 -3.439 7.055 -4.202 76 H8 A 7 H8 A 7 -3.565 3.288 -5.298 77 1H6 A 7 1H6 A 7 -3.999 1.961 0.691 78 2H6 A 7 2H6 A 7 -4.163 1.339 -0.939 79 H2 A 7 H2 A 7 -3.364 6.381 0.328 80 1H5* G 8 1H5' G 8 -2.608 9.322 -4.079 81 2H5* G 8 2H5' G 8 -1.262 10.450 -4.285 82 H4* G 8 H4' G 8 -1.193 9.212 -2.146 83 H3* G 8 H3' G 8 1.118 9.245 -4.000 84 1H2* G 8 1H2' G 8 2.033 7.177 -2.473 85 2H2* G 8 2H2' G 8 1.242 7.002 -4.047 86 H1* G 8 H1' G 8 -0.084 6.869 -1.305 87 H8 G 8 H8 G 8 -0.038 5.255 -4.855 88 H1 G 8 H1 G 8 -1.170 1.113 -0.093 89 1H2 G 8 1H2 G 8 -0.808 3.930 1.979 90 2H2 G 8 2H2 G 8 -1.183 2.222 1.880 91 1H5* T 9 1H5' T 9 0.799 9.179 0.677 92 2H5* T 9 2H5' T 9 2.178 9.978 1.445 93 H4* T 9 H4' T 9 1.208 8.094 2.769 94 H3* T 9 H3' T 9 3.965 8.626 2.374 95 1H2* T 9 1H2' T 9 4.573 5.946 2.507 96 2H2* T 9 2H2' T 9 4.317 6.799 0.963 97 H1* T 9 H1' T 9 2.296 5.290 2.661 98 H3 T 9 H3 T 9 2.185 1.501 0.075 99 1H5M T 9 1H5M T 9 4.265 3.944 -3.459 100 2H5M T 9 2H5M T 9 2.664 4.661 -3.707 101 3H5M T 9 3H5M T 9 3.977 5.631 -3.006 102 H6 T 9 H6 T 9 3.296 6.071 -0.854 103 1H5* A 10 1H5' A 10 2.399 5.513 5.631 104 2H5* A 10 2H5' A 10 3.390 5.715 7.090 105 H4* A 10 H4' A 10 2.680 3.391 6.803 106 H3* A 10 H3' A 10 5.394 4.174 7.246 107 1H2* A 10 1H2' A 10 6.303 1.972 5.889 108 2H2* A 10 2H2' A 10 6.058 3.537 5.075 109 H1* A 10 H1' A 10 4.029 1.271 5.322 110 H8 A 10 H8 A 10 5.655 3.724 2.727 111 1H6 A 10 1H6 A 10 4.664 -0.776 -1.415 112 2H6 A 10 2H6 A 10 5.242 0.860 -1.174 113 H2 A 10 H2 A 10 3.386 -2.277 2.599 114 1H5* C 11 1H5' C3' 11 3.783 -0.239 7.679 115 2H5* C 11 2H5' C3' 11 4.543 -1.028 9.076 116 H4* C 11 H4' C3' 11 4.082 -2.610 7.231 117 H3* C 11 H3' C3' 11 6.618 -2.387 8.567 118 1H2* C 11 1H2' C3' 11 7.867 -3.341 6.317 119 2H2* C 11 2H2' C3' 11 7.729 -1.592 6.654 120 H1* C 11 H1' C3' 11 5.777 -3.337 5.079 121 1H4 C 11 1H4 C3' 11 8.512 1.084 0.782 122 2H4 C 11 2H4 C3' 11 8.094 -0.364 -0.116 123 H5 C 11 H5 C3' 11 8.180 1.235 3.254 124 H6 C 11 H6 C3' 11 7.300 0.078 5.170 125 H3T C 11 HO3' C3' 11 5.246 -4.248 8.393 Start of MODEL 5 1 1H5* G 1 1H5' G5' 1 5.927 -9.120 -8.034 2 2H5* G 1 2H5' G5' 1 7.440 -8.195 -8.137 3 H4* G 1 H4' G5' 1 7.200 -9.132 -5.889 4 H3* G 1 H3' G5' 1 4.403 -8.119 -6.095 5 1H2* G 1 1H2' G5' 1 5.008 -7.591 -3.378 6 2H2* G 1 2H2' G5' 1 4.777 -6.424 -4.706 7 H1* G 1 H1' G5' 1 7.348 -7.635 -3.694 8 H8 G 1 H8 G5' 1 7.212 -4.421 -5.749 9 H1 G 1 H1 G5' 1 6.925 -3.284 0.565 10 1H2 G 1 1H2 G5' 1 6.430 -6.755 0.819 11 2H2 G 1 2H2 G5' 1 6.518 -5.220 1.664 12 H5T G 1 H5' G5' 1 6.177 -6.306 -7.741 13 1H5* T 2 1H5' T 2 5.544 -9.766 -2.061 14 2H5* T 2 2H5' T 2 4.379 -11.016 -1.565 15 H4* T 2 H4' T 2 4.811 -9.535 0.313 16 H3* T 2 H3' T 2 2.209 -10.107 -0.611 17 1H2* T 2 1H2' T 2 1.271 -7.604 0.026 18 2H2* T 2 2H2' T 2 1.898 -7.989 -1.603 19 H1* T 2 H1' T 2 3.413 -6.932 0.809 20 H3 T 2 H3 T 2 3.958 -2.564 -0.383 21 1H5M T 2 1H5M T 2 2.357 -3.616 -4.736 22 2H5M T 2 2H5M T 2 4.013 -4.190 -4.999 23 3H5M T 2 3H5M T 2 2.668 -5.352 -4.879 24 H6 T 2 H6 T 2 2.896 -6.514 -2.886 25 1H5* A 3 1H5' A 3 2.284 -7.578 3.734 26 2H5* A 3 2H5' A 3 0.960 -8.393 4.593 27 H4* A 3 H4' A 3 0.819 -6.057 5.082 28 H3* A 3 H3' A 3 -1.365 -7.446 3.813 29 1H2* A 3 1H2' A 3 -2.244 -5.022 2.820 30 2H2* A 3 2H2' A 3 -1.224 -6.145 1.869 31 H1* A 3 H1' A 3 -0.338 -3.863 3.668 32 H8 A 3 H8 A 3 0.106 -5.398 0.096 33 1H6 A 3 1H6 A 3 1.761 0.271 -1.716 34 2H6 A 3 2H6 A 3 1.576 -1.402 -2.191 35 H2 A 3 H2 A 3 0.707 0.478 2.629 36 1H5* C 4 1H5' C 4 -1.960 -3.401 6.254 37 2H5* C 4 2H5' C 4 -3.522 -3.457 7.094 38 H4* C 4 H4' C 4 -2.933 -1.190 6.311 39 H3* C 4 H3' C 4 -5.468 -2.374 5.965 40 1H2* C 4 1H2' C 4 -5.876 -1.218 3.518 41 2H2* C 4 2H2' C 4 -5.103 -2.810 3.668 42 H1* C 4 H1' C 4 -3.742 -0.091 3.706 43 1H4 C 4 1H4 C 4 -1.934 -2.829 -2.166 44 2H4 C 4 2H4 C 4 -1.459 -1.139 -2.182 45 H5 C 4 H5 C 4 -3.033 -3.865 -0.180 46 H6 C 4 H6 C 4 -3.854 -3.427 2.040 47 1H5* A 5 1H5' A 5 -4.907 1.835 4.180 48 2H5* A 5 2H5' A 5 -6.246 2.930 4.551 49 H4* A 5 H4' A 5 -5.497 3.070 2.194 50 H3* A 5 H3' A 5 -8.166 3.037 2.984 51 1H2* A 5 1H2' A 5 -9.048 1.325 1.087 52 2H2* A 5 2H2' A 5 -8.355 0.652 2.569 53 H1* A 5 H1' A 5 -6.857 1.303 0.007 54 H8 A 5 H8 A 5 -8.298 -1.602 1.950 55 1H6 A 5 1H6 A 5 -5.446 -5.156 -2.246 56 2H6 A 5 2H6 A 5 -6.474 -5.151 -0.825 57 H2 A 5 H2 A 5 -4.319 -0.902 -3.034 58 1H5* A 6 1H5' A 6 -6.947 5.088 -1.437 59 2H5* A 6 2H5' A 6 -8.278 5.709 -2.203 60 H4* A 6 H4' A 6 -6.583 4.398 -3.670 61 H3* A 6 H3' A 6 -9.212 4.726 -4.473 62 1H2* A 6 1H2' A 6 -9.615 2.172 -5.134 63 2H2* A 6 2H2' A 6 -9.972 2.630 -3.445 64 H1* A 6 H1' A 6 -7.463 1.390 -4.571 65 H8 A 6 H8 A 6 -9.711 1.412 -1.449 66 1H6 A 6 1H6 A 6 -9.501 -4.766 -1.867 67 2H6 A 6 2H6 A 6 -10.095 -3.408 -0.929 68 H2 A 6 H2 A 6 -7.030 -3.058 -5.174 69 1H5* A 7 1H5' A 7 -5.977 6.417 -8.353 70 2H5* A 7 2H5' A 7 -5.526 5.003 -7.402 71 H4* A 7 H4' A 7 -5.763 7.875 -6.337 72 H3* A 7 H3' A 7 -3.671 7.117 -7.950 73 1H2* A 7 1H2' A 7 -1.933 6.421 -5.937 74 2H2* A 7 2H2' A 7 -3.075 5.218 -6.557 75 H1* A 7 H1' A 7 -3.426 7.099 -4.162 76 H8 A 7 H8 A 7 -3.563 3.344 -5.295 77 1H6 A 7 1H6 A 7 -3.994 1.961 0.682 78 2H6 A 7 2H6 A 7 -4.165 1.354 -0.953 79 H2 A 7 H2 A 7 -3.347 6.382 0.360 80 1H5* G 8 1H5' G 8 -2.589 9.362 -4.016 81 2H5* G 8 2H5' G 8 -1.241 10.489 -4.214 82 H4* G 8 H4' G 8 -1.165 9.227 -2.090 83 H3* G 8 H3' G 8 1.138 9.264 -3.956 84 1H2* G 8 1H2' G 8 2.049 7.186 -2.443 85 2H2* G 8 2H2' G 8 1.256 7.024 -4.016 86 H1* G 8 H1' G 8 -0.067 6.877 -1.273 87 H8 G 8 H8 G 8 -0.034 5.288 -4.834 88 H1 G 8 H1 G 8 -1.170 1.117 -0.099 89 1H2 G 8 1H2 G 8 -0.788 3.917 1.992 90 2H2 G 8 2H2 G 8 -1.172 2.211 1.883 91 1H5* T 9 1H5' T 9 0.844 9.185 0.724 92 2H5* T 9 2H5' T 9 2.232 9.976 1.485 93 H4* T 9 H4' T 9 1.264 8.094 2.812 94 H3* T 9 H3' T 9 4.020 8.611 2.396 95 1H2* T 9 1H2' T 9 4.615 5.929 2.515 96 2H2* T 9 2H2' T 9 4.351 6.788 0.976 97 H1* T 9 H1' T 9 2.337 5.284 2.687 98 H3 T 9 H3 T 9 2.184 1.503 0.089 99 1H5M T 9 1H5M T 9 3.985 5.630 -2.989 100 2H5M T 9 2H5M T 9 4.258 3.942 -3.449 101 3H5M T 9 3H5M T 9 2.661 4.673 -3.686 102 H6 T 9 H6 T 9 3.314 6.069 -0.834 103 1H5* A 10 1H5' A 10 2.463 5.504 5.660 104 2H5* A 10 2H5' A 10 3.468 5.691 7.111 105 H4* A 10 H4' A 10 2.732 3.375 6.818 106 H3* A 10 H3' A 10 5.455 4.126 7.252 107 1H2* A 10 1H2' A 10 6.343 1.938 5.864 108 2H2* A 10 2H2' A 10 6.096 3.511 5.066 109 H1* A 10 H1' A 10 4.060 1.251 5.314 110 H8 A 10 H8 A 10 5.691 3.704 2.722 111 1H6 A 10 1H6 A 10 4.653 -0.775 -1.432 112 2H6 A 10 2H6 A 10 5.245 0.855 -1.188 113 H2 A 10 H2 A 10 3.373 -2.278 2.579 114 1H5* C 11 1H5' C3' 11 3.755 -0.255 7.688 115 2H5* C 11 2H5' C3' 11 4.506 -1.059 9.081 116 H4* C 11 H4' C3' 11 3.965 -2.634 7.249 117 H3* C 11 H3' C3' 11 6.499 -2.516 8.579 118 1H2* C 11 1H2' C3' 11 7.741 -3.473 6.325 119 2H2* C 11 2H2' C3' 11 7.637 -1.725 6.675 120 H1* C 11 H1' C3' 11 5.660 -3.415 5.071 121 1H4 C 11 1H4 C3' 11 8.509 1.001 0.846 122 2H4 C 11 2H4 C3' 11 8.093 -0.438 -0.068 123 H5 C 11 H5 C3' 11 8.151 1.135 3.316 124 H6 C 11 H6 C3' 11 7.230 -0.025 5.210 125 H3T C 11 HO3' C3' 11 6.524 -4.719 7.919 Start of MODEL 6 1 1H5* G 1 1H5' G5' 1 5.927 -9.120 -8.034 2 2H5* G 1 2H5' G5' 1 7.440 -8.195 -8.137 3 H4* G 1 H4' G5' 1 7.200 -9.132 -5.889 4 H3* G 1 H3' G5' 1 4.403 -8.119 -6.095 5 1H2* G 1 1H2' G5' 1 5.008 -7.591 -3.378 6 2H2* G 1 2H2' G5' 1 4.777 -6.424 -4.706 7 H1* G 1 H1' G5' 1 7.348 -7.635 -3.694 8 H8 G 1 H8 G5' 1 7.212 -4.421 -5.749 9 H1 G 1 H1 G5' 1 6.925 -3.284 0.565 10 1H2 G 1 1H2 G5' 1 6.430 -6.755 0.819 11 2H2 G 1 2H2 G5' 1 6.518 -5.220 1.664 12 H5T G 1 H5' G5' 1 6.177 -6.306 -7.741 13 1H5* T 2 1H5' T 2 5.544 -9.766 -2.061 14 2H5* T 2 2H5' T 2 4.379 -11.016 -1.565 15 H4* T 2 H4' T 2 4.811 -9.535 0.313 16 H3* T 2 H3' T 2 2.209 -10.107 -0.611 17 1H2* T 2 1H2' T 2 1.271 -7.604 0.026 18 2H2* T 2 2H2' T 2 1.898 -7.989 -1.603 19 H1* T 2 H1' T 2 3.413 -6.932 0.809 20 H3 T 2 H3 T 2 3.958 -2.564 -0.383 21 1H5M T 2 1H5M T 2 2.357 -3.616 -4.736 22 2H5M T 2 2H5M T 2 4.013 -4.190 -4.999 23 3H5M T 2 3H5M T 2 2.668 -5.352 -4.879 24 H6 T 2 H6 T 2 2.896 -6.514 -2.886 25 1H5* A 3 1H5' A 3 2.284 -7.578 3.734 26 2H5* A 3 2H5' A 3 0.960 -8.393 4.593 27 H4* A 3 H4' A 3 0.819 -6.057 5.082 28 H3* A 3 H3' A 3 -1.365 -7.446 3.813 29 1H2* A 3 1H2' A 3 -2.244 -5.022 2.820 30 2H2* A 3 2H2' A 3 -1.224 -6.145 1.869 31 H1* A 3 H1' A 3 -0.338 -3.863 3.668 32 H8 A 3 H8 A 3 0.106 -5.398 0.096 33 1H6 A 3 1H6 A 3 1.761 0.271 -1.716 34 2H6 A 3 2H6 A 3 1.576 -1.402 -2.191 35 H2 A 3 H2 A 3 0.707 0.478 2.629 36 1H5* C 4 1H5' C 4 -1.960 -3.401 6.254 37 2H5* C 4 2H5' C 4 -3.522 -3.457 7.094 38 H4* C 4 H4' C 4 -2.933 -1.190 6.311 39 H3* C 4 H3' C 4 -5.468 -2.374 5.965 40 1H2* C 4 1H2' C 4 -5.876 -1.218 3.518 41 2H2* C 4 2H2' C 4 -5.103 -2.810 3.668 42 H1* C 4 H1' C 4 -3.742 -0.091 3.706 43 1H4 C 4 1H4 C 4 -1.934 -2.829 -2.166 44 2H4 C 4 2H4 C 4 -1.459 -1.139 -2.182 45 H5 C 4 H5 C 4 -3.033 -3.865 -0.180 46 H6 C 4 H6 C 4 -3.854 -3.427 2.040 47 1H5* A 5 1H5' A 5 -4.907 1.835 4.180 48 2H5* A 5 2H5' A 5 -6.246 2.930 4.551 49 H4* A 5 H4' A 5 -5.497 3.070 2.194 50 H3* A 5 H3' A 5 -8.166 3.037 2.984 51 1H2* A 5 1H2' A 5 -9.048 1.325 1.087 52 2H2* A 5 2H2' A 5 -8.355 0.652 2.569 53 H1* A 5 H1' A 5 -6.857 1.303 0.007 54 H8 A 5 H8 A 5 -8.298 -1.602 1.950 55 1H6 A 5 1H6 A 5 -5.446 -5.156 -2.246 56 2H6 A 5 2H6 A 5 -6.474 -5.151 -0.825 57 H2 A 5 H2 A 5 -4.319 -0.902 -3.034 58 1H5* A 6 1H5' A 6 -6.947 5.088 -1.437 59 2H5* A 6 2H5' A 6 -8.278 5.709 -2.203 60 H4* A 6 H4' A 6 -6.583 4.398 -3.670 61 H3* A 6 H3' A 6 -9.212 4.726 -4.473 62 1H2* A 6 1H2' A 6 -9.615 2.172 -5.134 63 2H2* A 6 2H2' A 6 -9.972 2.630 -3.445 64 H1* A 6 H1' A 6 -7.463 1.390 -4.571 65 H8 A 6 H8 A 6 -9.711 1.412 -1.449 66 1H6 A 6 1H6 A 6 -9.501 -4.766 -1.867 67 2H6 A 6 2H6 A 6 -10.095 -3.408 -0.929 68 H2 A 6 H2 A 6 -7.030 -3.058 -5.174 69 1H5* A 7 1H5' A 7 -5.977 6.417 -8.353 70 2H5* A 7 2H5' A 7 -5.526 5.003 -7.402 71 H4* A 7 H4' A 7 -5.763 7.875 -6.337 72 H3* A 7 H3' A 7 -3.671 7.117 -7.950 73 1H2* A 7 1H2' A 7 -1.933 6.421 -5.937 74 2H2* A 7 2H2' A 7 -3.075 5.218 -6.557 75 H1* A 7 H1' A 7 -3.426 7.099 -4.162 76 H8 A 7 H8 A 7 -3.563 3.344 -5.295 77 1H6 A 7 1H6 A 7 -3.994 1.961 0.682 78 2H6 A 7 2H6 A 7 -4.165 1.354 -0.953 79 H2 A 7 H2 A 7 -3.347 6.382 0.360 80 1H5* G 8 1H5' G 8 -2.589 9.362 -4.016 81 2H5* G 8 2H5' G 8 -1.241 10.489 -4.214 82 H4* G 8 H4' G 8 -1.165 9.227 -2.090 83 H3* G 8 H3' G 8 1.138 9.264 -3.956 84 1H2* G 8 1H2' G 8 2.049 7.186 -2.443 85 2H2* G 8 2H2' G 8 1.256 7.024 -4.016 86 H1* G 8 H1' G 8 -0.067 6.877 -1.273 87 H8 G 8 H8 G 8 -0.034 5.288 -4.834 88 H1 G 8 H1 G 8 -1.170 1.117 -0.099 89 1H2 G 8 1H2 G 8 -0.788 3.917 1.992 90 2H2 G 8 2H2 G 8 -1.172 2.211 1.883 91 1H5* T 9 1H5' T 9 0.844 9.185 0.724 92 2H5* T 9 2H5' T 9 2.232 9.976 1.485 93 H4* T 9 H4' T 9 1.264 8.094 2.812 94 H3* T 9 H3' T 9 4.020 8.611 2.396 95 1H2* T 9 1H2' T 9 4.615 5.929 2.515 96 2H2* T 9 2H2' T 9 4.351 6.788 0.976 97 H1* T 9 H1' T 9 2.337 5.284 2.687 98 H3 T 9 H3 T 9 2.184 1.503 0.089 99 1H5M T 9 1H5M T 9 3.985 5.630 -2.989 100 2H5M T 9 2H5M T 9 4.258 3.942 -3.449 101 3H5M T 9 3H5M T 9 2.661 4.673 -3.686 102 H6 T 9 H6 T 9 3.314 6.069 -0.834 103 1H5* A 10 1H5' A 10 2.463 5.504 5.660 104 2H5* A 10 2H5' A 10 3.468 5.691 7.111 105 H4* A 10 H4' A 10 2.732 3.375 6.818 106 H3* A 10 H3' A 10 5.455 4.126 7.252 107 1H2* A 10 1H2' A 10 6.343 1.938 5.864 108 2H2* A 10 2H2' A 10 6.096 3.511 5.066 109 H1* A 10 H1' A 10 4.060 1.251 5.314 110 H8 A 10 H8 A 10 5.691 3.704 2.722 111 1H6 A 10 1H6 A 10 4.653 -0.775 -1.432 112 2H6 A 10 2H6 A 10 5.245 0.855 -1.188 113 H2 A 10 H2 A 10 3.373 -2.278 2.579 114 1H5* C 11 1H5' C3' 11 3.755 -0.255 7.688 115 2H5* C 11 2H5' C3' 11 4.506 -1.059 9.081 116 H4* C 11 H4' C3' 11 3.965 -2.634 7.249 117 H3* C 11 H3' C3' 11 6.499 -2.516 8.579 118 1H2* C 11 1H2' C3' 11 7.741 -3.473 6.325 119 2H2* C 11 2H2' C3' 11 7.637 -1.725 6.675 120 H1* C 11 H1' C3' 11 5.660 -3.415 5.071 121 1H4 C 11 1H4 C3' 11 8.509 1.001 0.846 122 2H4 C 11 2H4 C3' 11 8.093 -0.438 -0.068 123 H5 C 11 H5 C3' 11 8.151 1.135 3.316 124 H6 C 11 H6 C3' 11 7.230 -0.025 5.210 125 H3T C 11 HO3' C3' 11 6.524 -4.719 7.919 Start of MODEL 7 1 1H5* G 1 1H5' G5' 1 6.069 -9.202 -7.952 2 2H5* G 1 2H5' G5' 1 6.051 -7.423 -7.963 3 H4* G 1 H4' G5' 1 7.295 -9.147 -5.764 4 H3* G 1 H3' G5' 1 4.520 -8.088 -6.126 5 1H2* G 1 1H2' G5' 1 5.049 -7.607 -3.365 6 2H2* G 1 2H2' G5' 1 4.826 -6.430 -4.685 7 H1* G 1 H1' G5' 1 7.385 -7.634 -3.638 8 H8 G 1 H8 G5' 1 7.272 -4.413 -5.690 9 H1 G 1 H1 G5' 1 6.907 -3.305 0.626 10 1H2 G 1 1H2 G5' 1 6.406 -6.777 0.857 11 2H2 G 1 2H2 G5' 1 6.484 -5.247 1.710 12 H5T G 1 H5' G5' 1 8.359 -7.531 -7.847 13 1H5* T 2 1H5' T 2 5.519 -9.783 -2.091 14 2H5* T 2 2H5' T 2 4.330 -11.018 -1.617 15 H4* T 2 H4' T 2 4.779 -9.555 0.276 16 H3* T 2 H3' T 2 2.176 -10.099 -0.655 17 1H2* T 2 1H2' T 2 1.255 -7.594 -0.012 18 2H2* T 2 2H2' T 2 1.882 -7.973 -1.640 19 H1* T 2 H1' T 2 3.398 -6.935 0.780 20 H3 T 2 H3 T 2 3.971 -2.568 -0.402 21 1H5M T 2 1H5M T 2 4.068 -4.189 -5.015 22 2H5M T 2 2H5M T 2 2.718 -5.347 -4.915 23 3H5M T 2 3H5M T 2 2.411 -3.610 -4.775 24 H6 T 2 H6 T 2 2.908 -6.508 -2.920 25 1H5* A 3 1H5' A 3 2.290 -7.580 3.688 26 2H5* A 3 2H5' A 3 0.968 -8.387 4.558 27 H4* A 3 H4' A 3 0.857 -6.051 5.059 28 H3* A 3 H3' A 3 -1.355 -7.418 3.822 29 1H2* A 3 1H2' A 3 -2.229 -4.994 2.831 30 2H2* A 3 2H2' A 3 -1.225 -6.123 1.870 31 H1* A 3 H1' A 3 -0.309 -3.843 3.655 32 H8 A 3 H8 A 3 0.102 -5.387 0.083 33 1H6 A 3 1H6 A 3 1.770 0.270 -1.752 34 2H6 A 3 2H6 A 3 1.578 -1.404 -2.220 35 H2 A 3 H2 A 3 0.728 0.495 2.595 36 1H5* C 4 1H5' C 4 -1.904 -3.355 6.267 37 2H5* C 4 2H5' C 4 -3.458 -3.411 7.122 38 H4* C 4 H4' C 4 -2.877 -1.145 6.333 39 H3* C 4 H3' C 4 -5.416 -2.326 6.015 40 1H2* C 4 1H2' C 4 -5.849 -1.185 3.567 41 2H2* C 4 2H2' C 4 -5.073 -2.775 3.717 42 H1* C 4 H1' C 4 -3.716 -0.053 3.725 43 1H4 C 4 1H4 C 4 -1.957 -2.824 -2.146 44 2H4 C 4 2H4 C 4 -1.476 -1.136 -2.173 45 H5 C 4 H5 C 4 -3.042 -3.848 -0.147 46 H6 C 4 H6 C 4 -3.846 -3.397 2.076 47 1H5* A 5 1H5' A 5 -4.870 1.879 4.208 48 2H5* A 5 2H5' A 5 -6.208 2.973 4.583 49 H4* A 5 H4' A 5 -5.473 3.102 2.219 50 H3* A 5 H3' A 5 -8.135 3.082 3.028 51 1H2* A 5 1H2' A 5 -9.037 1.358 1.152 52 2H2* A 5 2H2' A 5 -8.333 0.693 2.633 53 H1* A 5 H1' A 5 -6.857 1.321 0.054 54 H8 A 5 H8 A 5 -8.284 -1.566 2.032 55 1H6 A 5 1H6 A 5 -5.478 -5.156 -2.165 56 2H6 A 5 2H6 A 5 -6.492 -5.138 -0.734 57 H2 A 5 H2 A 5 -4.352 -0.909 -2.995 58 1H5* A 6 1H5' A 6 -6.946 5.095 -1.419 59 2H5* A 6 2H5' A 6 -8.281 5.713 -2.182 60 H4* A 6 H4' A 6 -6.599 4.386 -3.648 61 H3* A 6 H3' A 6 -9.232 4.714 -4.437 62 1H2* A 6 1H2' A 6 -9.646 2.155 -5.073 63 2H2* A 6 2H2' A 6 -9.990 2.627 -3.385 64 H1* A 6 H1' A 6 -7.491 1.373 -4.520 65 H8 A 6 H8 A 6 -9.714 1.425 -1.380 66 1H6 A 6 1H6 A 6 -9.529 -4.756 -1.755 67 2H6 A 6 2H6 A 6 -10.109 -3.390 -0.821 68 H2 A 6 H2 A 6 -7.084 -3.081 -5.098 69 1H5* A 7 1H5' A 7 -6.021 6.357 -8.360 70 2H5* A 7 2H5' A 7 -5.567 4.952 -7.397 71 H4* A 7 H4' A 7 -5.793 7.835 -6.359 72 H3* A 7 H3' A 7 -3.713 7.058 -7.979 73 1H2* A 7 1H2' A 7 -1.962 6.381 -5.971 74 2H2* A 7 2H2' A 7 -3.108 5.173 -6.571 75 H1* A 7 H1' A 7 -3.441 7.078 -4.193 76 H8 A 7 H8 A 7 -3.592 3.312 -5.288 77 1H6 A 7 1H6 A 7 -3.986 1.988 0.704 78 2H6 A 7 2H6 A 7 -4.166 1.366 -0.924 79 H2 A 7 H2 A 7 -3.333 6.405 0.336 80 1H5* G 8 1H5' G 8 -2.604 9.343 -4.076 81 2H5* G 8 2H5' G 8 -1.257 10.467 -4.295 82 H4* G 8 H4' G 8 -1.171 9.227 -2.158 83 H3* G 8 H3' G 8 1.123 9.251 -4.033 84 1H2* G 8 1H2' G 8 2.044 7.182 -2.511 85 2H2* G 8 2H2' G 8 1.241 7.009 -4.079 86 H1* G 8 H1' G 8 -0.066 6.882 -1.326 87 H8 G 8 H8 G 8 -0.052 5.266 -4.875 88 H1 G 8 H1 G 8 -1.167 1.132 -0.103 89 1H2 G 8 1H2 G 8 -0.777 3.949 1.964 90 2H2 G 8 2H2 G 8 -1.159 2.241 1.870 91 1H5* T 9 1H5' T 9 0.847 9.200 0.645 92 2H5* T 9 2H5' T 9 2.238 9.992 1.400 93 H4* T 9 H4' T 9 1.267 8.116 2.735 94 H3* T 9 H3' T 9 4.024 8.631 2.320 95 1H2* T 9 1H2' T 9 4.617 5.950 2.452 96 2H2* T 9 2H2' T 9 4.355 6.800 0.909 97 H1* T 9 H1' T 9 2.338 5.306 2.624 98 H3 T 9 H3 T 9 2.190 1.513 0.045 99 1H5M T 9 1H5M T 9 4.247 3.934 -3.513 100 2H5M T 9 2H5M T 9 2.654 4.676 -3.742 101 3H5M T 9 3H5M T 9 3.989 5.624 -3.053 102 H6 T 9 H6 T 9 3.316 6.075 -0.899 103 1H5* A 10 1H5' A 10 2.447 5.543 5.584 104 2H5* A 10 2H5' A 10 3.444 5.728 7.041 105 H4* A 10 H4' A 10 2.691 3.416 6.745 106 H3* A 10 H3' A 10 5.410 4.146 7.219 107 1H2* A 10 1H2' A 10 6.310 1.963 5.833 108 2H2* A 10 2H2' A 10 6.074 3.536 5.034 109 H1* A 10 H1' A 10 4.030 1.280 5.259 110 H8 A 10 H8 A 10 5.693 3.729 2.683 111 1H6 A 10 1H6 A 10 4.692 -0.752 -1.477 112 2H6 A 10 2H6 A 10 5.278 0.880 -1.231 113 H2 A 10 H2 A 10 3.386 -2.256 2.524 114 1H5* C 11 1H5' C3' 11 3.627 -0.208 7.660 115 2H5* C 11 2H5' C3' 11 4.341 -1.004 9.076 116 H4* C 11 H4' C3' 11 3.771 -2.598 7.270 117 H3* C 11 H3' C3' 11 6.271 -2.549 8.643 118 1H2* C 11 1H2' C3' 11 7.566 -3.517 6.428 119 2H2* C 11 2H2' C3' 11 7.470 -1.767 6.767 120 H1* C 11 H1' C3' 11 5.527 -3.447 5.112 121 1H4 C 11 1H4 C3' 11 8.508 0.953 0.964 122 2H4 C 11 2H4 C3' 11 8.110 -0.483 0.039 123 H5 C 11 H5 C3' 11 8.091 1.086 3.425 124 H6 C 11 H6 C3' 11 7.113 -0.069 5.293 125 H3T C 11 HO3' C3' 11 6.268 -4.750 7.975 Start of MODEL 8 1 1H5* G 1 1H5' G5' 1 7.703 -8.248 -8.012 2 2H5* G 1 2H5' G5' 1 6.078 -7.532 -7.981 3 H4* G 1 H4' G5' 1 7.373 -9.114 -5.707 4 H3* G 1 H3' G5' 1 4.593 -8.054 -6.127 5 1H2* G 1 1H2' G5' 1 5.124 -7.604 -3.352 6 2H2* G 1 2H2' G5' 1 4.865 -6.423 -4.661 7 H1* G 1 H1' G5' 1 7.446 -7.583 -3.632 8 H8 G 1 H8 G5' 1 7.313 -4.392 -5.724 9 H1 G 1 H1 G5' 1 6.935 -3.200 0.576 10 1H2 G 1 1H2 G5' 1 6.439 -6.670 0.852 11 2H2 G 1 2H2 G5' 1 6.518 -5.129 1.686 12 H5T G 1 H5' G5' 1 5.298 -9.699 -7.598 13 1H5* T 2 1H5' T 2 5.564 -9.749 -2.111 14 2H5* T 2 2H5' T 2 4.381 -10.994 -1.644 15 H4* T 2 H4' T 2 4.805 -9.536 0.257 16 H3* T 2 H3' T 2 2.211 -10.083 -0.702 17 1H2* T 2 1H2' T 2 1.278 -7.584 -0.048 18 2H2* T 2 2H2' T 2 1.920 -7.951 -1.673 19 H1* T 2 H1' T 2 3.414 -6.926 0.765 20 H3 T 2 H3 T 2 3.957 -2.545 -0.383 21 1H5M T 2 1H5M T 2 2.774 -5.304 -4.926 22 2H5M T 2 2H5M T 2 2.492 -3.562 -4.790 23 3H5M T 2 3H5M T 2 4.144 -4.168 -5.005 24 H6 T 2 H6 T 2 2.957 -6.479 -2.938 25 1H5* A 3 1H5' A 3 2.257 -7.606 3.671 26 2H5* A 3 2H5' A 3 0.922 -8.424 4.510 27 H4* A 3 H4' A 3 0.797 -6.090 5.026 28 H3* A 3 H3' A 3 -1.390 -7.452 3.735 29 1H2* A 3 1H2' A 3 -2.250 -5.013 2.766 30 2H2* A 3 2H2' A 3 -1.239 -6.134 1.804 31 H1* A 3 H1' A 3 -0.339 -3.872 3.622 32 H8 A 3 H8 A 3 0.102 -5.387 0.041 33 1H6 A 3 1H6 A 3 1.792 0.284 -1.730 34 2H6 A 3 2H6 A 3 1.598 -1.385 -2.215 35 H2 A 3 H2 A 3 0.729 0.469 2.614 36 1H5* C 4 1H5' C 4 -1.989 -3.434 6.239 37 2H5* C 4 2H5' C 4 -3.559 -3.503 7.064 38 H4* C 4 H4' C 4 -2.954 -1.223 6.328 39 H3* C 4 H3' C 4 -5.491 -2.383 5.958 40 1H2* C 4 1H2' C 4 -5.889 -1.213 3.517 41 2H2* C 4 2H2' C 4 -5.120 -2.807 3.660 42 H1* C 4 H1' C 4 -3.756 -0.090 3.713 43 1H4 C 4 1H4 C 4 -1.943 -2.812 -2.164 44 2H4 C 4 2H4 C 4 -1.457 -1.125 -2.172 45 H5 C 4 H5 C 4 -3.046 -3.851 -0.184 46 H6 C 4 H6 C 4 -3.873 -3.418 2.034 47 1H5* A 5 1H5' A 5 -4.923 1.835 4.191 48 2H5* A 5 2H5' A 5 -6.263 2.927 4.562 49 H4* A 5 H4' A 5 -5.513 3.070 2.205 50 H3* A 5 H3' A 5 -8.180 3.041 2.993 51 1H2* A 5 1H2' A 5 -9.066 1.323 1.104 52 2H2* A 5 2H2' A 5 -8.373 0.655 2.587 53 H1* A 5 H1' A 5 -6.879 1.292 0.020 54 H8 A 5 H8 A 5 -8.322 -1.599 1.981 55 1H6 A 5 1H6 A 5 -5.476 -5.184 -2.194 56 2H6 A 5 2H6 A 5 -6.504 -5.167 -0.773 57 H2 A 5 H2 A 5 -4.340 -0.936 -3.007 58 1H5* A 6 1H5' A 6 -6.957 5.074 -1.434 59 2H5* A 6 2H5' A 6 -8.288 5.695 -2.204 60 H4* A 6 H4' A 6 -6.592 4.382 -3.666 61 H3* A 6 H3' A 6 -9.220 4.705 -4.472 62 1H2* A 6 1H2' A 6 -9.620 2.149 -5.126 63 2H2* A 6 2H2' A 6 -9.979 2.611 -3.439 64 H1* A 6 H1' A 6 -7.468 1.370 -4.560 65 H8 A 6 H8 A 6 -9.714 1.404 -1.437 66 1H6 A 6 1H6 A 6 -9.516 -4.776 -1.835 67 2H6 A 6 2H6 A 6 -10.106 -3.414 -0.901 68 H2 A 6 H2 A 6 -7.047 -3.083 -5.153 69 1H5* A 7 1H5' A 7 -5.984 6.383 -8.356 70 2H5* A 7 2H5' A 7 -5.535 4.972 -7.399 71 H4* A 7 H4' A 7 -5.776 7.847 -6.343 72 H3* A 7 H3' A 7 -3.681 7.083 -7.951 73 1H2* A 7 1H2' A 7 -1.945 6.403 -5.931 74 2H2* A 7 2H2' A 7 -3.081 5.194 -6.547 75 H1* A 7 H1' A 7 -3.445 7.087 -4.163 76 H8 A 7 H8 A 7 -3.564 3.325 -5.276 77 1H6 A 7 1H6 A 7 -4.001 1.973 0.708 78 2H6 A 7 2H6 A 7 -4.160 1.357 -0.924 79 H2 A 7 H2 A 7 -3.370 6.395 0.363 80 1H5* G 8 1H5' G 8 -2.616 9.354 -4.030 81 2H5* G 8 2H5' G 8 -1.272 10.485 -4.231 82 H4* G 8 H4' G 8 -1.200 9.236 -2.098 83 H3* G 8 H3' G 8 1.110 9.280 -3.952 84 1H2* G 8 1H2' G 8 2.027 7.205 -2.437 85 2H2* G 8 2H2' G 8 1.235 7.038 -4.011 86 H1* G 8 H1' G 8 -0.090 6.891 -1.269 87 H8 G 8 H8 G 8 -0.043 5.291 -4.826 88 H1 G 8 H1 G 8 -1.165 1.129 -0.080 89 1H2 G 8 1H2 G 8 -0.812 3.939 2.003 90 2H2 G 8 2H2 G 8 -1.181 2.230 1.898 91 1H5* T 9 1H5' T 9 0.786 9.185 0.720 92 2H5* T 9 2H5' T 9 2.164 9.980 1.496 93 H4* T 9 H4' T 9 1.191 8.086 2.806 94 H3* T 9 H3' T 9 3.949 8.624 2.420 95 1H2* T 9 1H2' T 9 4.559 5.945 2.543 96 2H2* T 9 2H2' T 9 4.308 6.805 1.002 97 H1* T 9 H1' T 9 2.283 5.285 2.684 98 H3 T 9 H3 T 9 2.192 1.512 0.074 99 1H5M T 9 1H5M T 9 2.662 4.715 -3.681 100 2H5M T 9 2H5M T 9 3.989 5.660 -2.974 101 3H5M T 9 3H5M T 9 4.256 3.976 -3.449 102 H6 T 9 H6 T 9 3.291 6.090 -0.822 103 1H5* A 10 1H5' A 10 2.382 5.486 5.653 104 2H5* A 10 2H5' A 10 3.366 5.692 7.117 105 H4* A 10 H4' A 10 2.680 3.363 6.830 106 H3* A 10 H3' A 10 5.390 4.171 7.260 107 1H2* A 10 1H2' A 10 6.307 1.970 5.907 108 2H2* A 10 2H2' A 10 6.053 3.532 5.091 109 H1* A 10 H1' A 10 4.038 1.253 5.344 110 H8 A 10 H8 A 10 5.644 3.721 2.751 111 1H6 A 10 1H6 A 10 4.666 -0.764 -1.406 112 2H6 A 10 2H6 A 10 5.235 0.873 -1.156 113 H2 A 10 H2 A 10 3.397 -2.290 2.605 114 1H5* C 11 1H5' C3' 11 3.818 -0.256 7.748 115 2H5* C 11 2H5' C3' 11 4.607 -1.030 9.137 116 H4* C 11 H4' C3' 11 4.137 -2.624 7.305 117 H3* C 11 H3' C3' 11 6.698 -2.351 8.596 118 1H2* C 11 1H2' C3' 11 7.891 -3.361 6.331 119 2H2* C 11 2H2' C3' 11 7.779 -1.610 6.661 120 H1* C 11 H1' C3' 11 5.792 -3.340 5.116 121 1H4 C 11 1H4 C3' 11 8.510 1.095 0.822 122 2H4 C 11 2H4 C3' 11 8.091 -0.349 -0.081 123 H5 C 11 H5 C3' 11 8.185 1.238 3.295 124 H6 C 11 H6 C3' 11 7.311 0.076 5.209 125 H3T C 11 HO3' C3' 11 5.569 -4.427 7.006 Start of MODEL 9 1 1H5* G 1 1H5' G5' 1 5.916 -9.246 -7.933 2 2H5* G 1 2H5' G5' 1 5.924 -7.468 -7.969 3 H4* G 1 H4' G5' 1 7.214 -9.173 -5.782 4 H3* G 1 H3' G5' 1 4.429 -8.120 -6.088 5 1H2* G 1 1H2' G5' 1 5.023 -7.623 -3.342 6 2H2* G 1 2H2' G5' 1 4.760 -6.456 -4.663 7 H1* G 1 H1' G5' 1 7.349 -7.636 -3.669 8 H8 G 1 H8 G5' 1 7.199 -4.450 -5.764 9 H1 G 1 H1 G5' 1 6.940 -3.235 0.538 10 1H2 G 1 1H2 G5' 1 6.436 -6.702 0.835 11 2H2 G 1 2H2 G5' 1 6.534 -5.158 1.662 12 H5T G 1 H5' G5' 1 7.633 -8.389 -9.181 13 1H5* T 2 1H5' T 2 5.515 -9.774 -2.063 14 2H5* T 2 2H5' T 2 4.344 -11.017 -1.564 15 H4* T 2 H4' T 2 4.798 -9.545 0.317 16 H3* T 2 H3' T 2 2.190 -10.104 -0.590 17 1H2* T 2 1H2' T 2 1.261 -7.598 0.044 18 2H2* T 2 2H2' T 2 1.883 -7.985 -1.585 19 H1* T 2 H1' T 2 3.407 -6.931 0.822 20 H3 T 2 H3 T 2 3.950 -2.564 -0.374 21 1H5M T 2 1H5M T 2 2.664 -5.354 -4.869 22 2H5M T 2 2H5M T 2 2.376 -3.613 -4.735 23 3H5M T 2 3H5M T 2 4.025 -4.211 -4.986 24 H6 T 2 H6 T 2 2.885 -6.514 -2.875 25 1H5* A 3 1H5' A 3 2.280 -7.566 3.752 26 2H5* A 3 2H5' A 3 0.957 -8.379 4.614 27 H4* A 3 H4' A 3 0.818 -6.041 5.099 28 H3* A 3 H3' A 3 -1.369 -7.430 3.833 29 1H2* A 3 1H2' A 3 -2.245 -5.004 2.841 30 2H2* A 3 2H2' A 3 -1.231 -6.132 1.889 31 H1* A 3 H1' A 3 -0.335 -3.848 3.681 32 H8 A 3 H8 A 3 0.094 -5.393 0.112 33 1H6 A 3 1H6 A 3 1.764 0.266 -1.718 34 2H6 A 3 2H6 A 3 1.572 -1.407 -2.188 35 H2 A 3 H2 A 3 0.721 0.487 2.629 36 1H5* C 4 1H5' C 4 -1.961 -3.383 6.280 37 2H5* C 4 2H5' C 4 -3.525 -3.439 7.117 38 H4* C 4 H4' C 4 -2.928 -1.172 6.339 39 H3* C 4 H3' C 4 -5.467 -2.346 5.995 40 1H2* C 4 1H2' C 4 -5.875 -1.193 3.547 41 2H2* C 4 2H2' C 4 -5.105 -2.787 3.699 42 H1* C 4 H1' C 4 -3.739 -0.070 3.728 43 1H4 C 4 1H4 C 4 -1.950 -2.828 -2.140 44 2H4 C 4 2H4 C 4 -1.471 -1.140 -2.161 45 H5 C 4 H5 C 4 -3.043 -3.857 -0.147 46 H6 C 4 H6 C 4 -3.859 -3.410 2.073 47 1H5* A 5 1H5' A 5 -4.903 1.858 4.201 48 2H5* A 5 2H5' A 5 -6.239 2.955 4.570 49 H4* A 5 H4' A 5 -5.494 3.086 2.211 50 H3* A 5 H3' A 5 -8.159 3.069 3.005 51 1H2* A 5 1H2' A 5 -9.054 1.345 1.125 52 2H2* A 5 2H2' A 5 -8.360 0.681 2.610 53 H1* A 5 H1' A 5 -6.871 1.301 0.037 54 H8 A 5 H8 A 5 -8.310 -1.578 2.019 55 1H6 A 5 1H6 A 5 -5.485 -5.187 -2.149 56 2H6 A 5 2H6 A 5 -6.508 -5.162 -0.724 57 H2 A 5 H2 A 5 -4.348 -0.945 -2.988 58 1H5* A 6 1H5' A 6 -6.943 5.076 -1.437 59 2H5* A 6 2H5' A 6 -8.276 5.698 -2.203 60 H4* A 6 H4' A 6 -6.591 4.374 -3.668 61 H3* A 6 H3' A 6 -9.223 4.700 -4.461 62 1H2* A 6 1H2' A 6 -9.632 2.143 -5.103 63 2H2* A 6 2H2' A 6 -9.979 2.611 -3.415 64 H1* A 6 H1' A 6 -7.475 1.364 -4.547 65 H8 A 6 H8 A 6 -9.707 1.403 -1.415 66 1H6 A 6 1H6 A 6 -9.505 -4.778 -1.802 67 2H6 A 6 2H6 A 6 -10.093 -3.415 -0.868 68 H2 A 6 H2 A 6 -7.049 -3.088 -5.131 69 1H5* A 7 1H5' A 7 -5.994 6.355 -8.364 70 2H5* A 7 2H5' A 7 -5.544 4.950 -7.399 71 H4* A 7 H4' A 7 -5.772 7.834 -6.363 72 H3* A 7 H3' A 7 -3.686 7.056 -7.975 73 1H2* A 7 1H2' A 7 -1.943 6.379 -5.960 74 2H2* A 7 2H2' A 7 -3.087 5.171 -6.565 75 H1* A 7 H1' A 7 -3.430 7.076 -4.188 76 H8 A 7 H8 A 7 -3.571 3.310 -5.284 77 1H6 A 7 1H6 A 7 -4.000 1.984 0.706 78 2H6 A 7 2H6 A 7 -4.169 1.363 -0.923 79 H2 A 7 H2 A 7 -3.347 6.402 0.342 80 1H5* G 8 1H5' G 8 -2.593 9.343 -4.069 81 2H5* G 8 2H5' G 8 -1.242 10.464 -4.281 82 H4* G 8 H4' G 8 -1.171 9.224 -2.143 83 H3* G 8 H3' G 8 1.134 9.246 -4.006 84 1H2* G 8 1H2' G 8 2.044 7.176 -2.479 85 2H2* G 8 2H2' G 8 1.250 7.004 -4.051 86 H1* G 8 H1' G 8 -0.072 6.877 -1.305 87 H8 G 8 H8 G 8 -0.040 5.261 -4.855 88 H1 G 8 H1 G 8 -1.174 1.126 -0.088 89 1H2 G 8 1H2 G 8 -0.800 3.942 1.981 90 2H2 G 8 2H2 G 8 -1.179 2.235 1.884 91 1H5* T 9 1H5' T 9 0.829 9.190 0.671 92 2H5* T 9 2H5' T 9 2.215 9.983 1.435 93 H4* T 9 H4' T 9 1.237 8.106 2.763 94 H3* T 9 H3' T 9 3.996 8.623 2.363 95 1H2* T 9 1H2' T 9 4.591 5.941 2.496 96 2H2* T 9 2H2' T 9 4.336 6.794 0.952 97 H1* T 9 H1' T 9 2.311 5.297 2.656 98 H3 T 9 H3 T 9 2.182 1.504 0.076 99 1H5M T 9 1H5M T 9 3.991 5.618 -3.013 100 2H5M T 9 2H5M T 9 4.254 3.928 -3.471 101 3H5M T 9 3H5M T 9 2.661 4.667 -3.708 102 H6 T 9 H6 T 9 3.307 6.068 -0.862 103 1H5* A 10 1H5' A 10 2.420 5.517 5.622 104 2H5* A 10 2H5' A 10 3.413 5.717 7.080 105 H4* A 10 H4' A 10 2.694 3.395 6.798 106 H3* A 10 H3' A 10 5.412 4.169 7.235 107 1H2* A 10 1H2' A 10 6.310 1.960 5.883 108 2H2* A 10 2H2' A 10 6.072 3.524 5.065 109 H1* A 10 H1' A 10 4.033 1.267 5.317 110 H8 A 10 H8 A 10 5.664 3.715 2.720 111 1H6 A 10 1H6 A 10 4.653 -0.780 -1.422 112 2H6 A 10 2H6 A 10 5.234 0.854 -1.181 113 H2 A 10 H2 A 10 3.385 -2.283 2.595 114 1H5* C 11 1H5' C3' 11 3.799 -0.241 7.666 115 2H5* C 11 2H5' C3' 11 4.559 -1.033 9.061 116 H4* C 11 H4' C3' 11 4.107 -2.612 7.212 117 H3* C 11 H3' C3' 11 6.646 -2.377 8.544 118 1H2* C 11 1H2' C3' 11 7.885 -3.340 6.289 119 2H2* C 11 2H2' C3' 11 7.750 -1.590 6.624 120 H1* C 11 H1' C3' 11 5.788 -3.334 5.061 121 1H4 C 11 1H4 C3' 11 8.510 1.075 0.744 122 2H4 C 11 2H4 C3' 11 8.087 -0.374 -0.150 123 H5 C 11 H5 C3' 11 8.191 1.231 3.217 124 H6 C 11 H6 C3' 11 7.318 0.079 5.139 125 H3T C 11 HO3' C3' 11 5.275 -4.241 8.382 Start of MODEL 10 1 1H5* G 1 1H5' G5' 1 8.139 -8.562 -7.464 2 2H5* G 1 2H5' G5' 1 6.635 -9.505 -7.514 3 H4* G 1 H4' G5' 1 7.506 -9.242 -5.197 4 H3* G 1 H3' G5' 1 4.797 -8.195 -5.974 5 1H2* G 1 1H2' G5' 1 5.056 -7.673 -3.166 6 2H2* G 1 2H2' G5' 1 4.876 -6.539 -4.528 7 H1* G 1 H1' G5' 1 7.372 -7.537 -3.185 8 H8 G 1 H8 G5' 1 7.196 -4.589 -5.639 9 H1 G 1 H1 G5' 1 6.841 -2.712 0.491 10 1H2 G 1 1H2 G5' 1 6.400 -6.133 1.167 11 2H2 G 1 2H2 G5' 1 6.472 -4.507 1.817 12 H5T G 1 H5' G5' 1 6.532 -7.611 -8.794 13 1H5* T 2 1H5' T 2 5.486 -9.844 -1.893 14 2H5* T 2 2H5' T 2 4.285 -11.089 -1.473 15 H4* T 2 H4' T 2 4.648 -9.615 0.437 16 H3* T 2 H3' T 2 2.092 -10.197 -0.598 17 1H2* T 2 1H2' T 2 1.113 -7.697 0.000 18 2H2* T 2 2H2' T 2 1.796 -8.083 -1.601 19 H1* T 2 H1' T 2 3.213 -6.996 0.854 20 H3 T 2 H3 T 2 3.768 -2.646 -0.381 21 1H5M T 2 1H5M T 2 2.392 -3.796 -4.798 22 2H5M T 2 2H5M T 2 4.075 -4.327 -4.960 23 3H5M T 2 3H5M T 2 2.758 -5.525 -4.896 24 H6 T 2 H6 T 2 2.853 -6.638 -2.873 25 1H5* A 3 1H5' A 3 2.028 -7.706 3.742 26 2H5* A 3 2H5' A 3 0.667 -8.496 4.567 27 H4* A 3 H4' A 3 0.570 -6.147 5.045 28 H3* A 3 H3' A 3 -1.616 -7.504 3.737 29 1H2* A 3 1H2' A 3 -2.432 -5.052 2.751 30 2H2* A 3 2H2' A 3 -1.437 -6.199 1.803 31 H1* A 3 H1' A 3 -0.505 -3.940 3.609 32 H8 A 3 H8 A 3 -0.063 -5.492 0.039 33 1H6 A 3 1H6 A 3 1.688 0.158 -1.756 34 2H6 A 3 2H6 A 3 1.467 -1.509 -2.239 35 H2 A 3 H2 A 3 0.641 0.366 2.591 36 1H5* C 4 1H5' C 4 -2.185 -3.476 6.215 37 2H5* C 4 2H5' C 4 -3.762 -3.516 7.028 38 H4* C 4 H4' C 4 -3.114 -1.249 6.287 39 H3* C 4 H3' C 4 -5.668 -2.372 5.901 40 1H2* C 4 1H2' C 4 -6.026 -1.195 3.456 41 2H2* C 4 2H2' C 4 -5.286 -2.803 3.605 42 H1* C 4 H1' C 4 -3.875 -0.110 3.668 43 1H4 C 4 1H4 C 4 -2.060 -2.863 -2.194 44 2H4 C 4 2H4 C 4 -1.552 -1.183 -2.199 45 H5 C 4 H5 C 4 -3.191 -3.886 -0.219 46 H6 C 4 H6 C 4 -4.027 -3.439 1.993 47 1H5* A 5 1H5' A 5 -5.016 1.832 4.136 48 2H5* A 5 2H5' A 5 -6.337 2.948 4.505 49 H4* A 5 H4' A 5 -5.580 3.085 2.151 50 H3* A 5 H3' A 5 -8.251 3.087 2.934 51 1H2* A 5 1H2' A 5 -9.152 1.396 1.027 52 2H2* A 5 2H2' A 5 -8.475 0.709 2.509 53 H1* A 5 H1' A 5 -6.959 1.339 -0.047 54 H8 A 5 H8 A 5 -8.466 -1.538 1.879 55 1H6 A 5 1H6 A 5 -5.616 -5.147 -2.274 56 2H6 A 5 2H6 A 5 -6.663 -5.121 -0.866 57 H2 A 5 H2 A 5 -4.410 -0.912 -3.053 58 1H5* A 6 1H5' A 6 -6.980 5.141 -1.451 59 2H5* A 6 2H5' A 6 -8.284 5.779 -2.251 60 H4* A 6 H4' A 6 -6.577 4.429 -3.671 61 H3* A 6 H3' A 6 -9.178 4.802 -4.539 62 1H2* A 6 1H2' A 6 -9.615 2.252 -5.195 63 2H2* A 6 2H2' A 6 -10.006 2.727 -3.519 64 H1* A 6 H1' A 6 -7.496 1.429 -4.574 65 H8 A 6 H8 A 6 -9.814 1.522 -1.506 66 1H6 A 6 1H6 A 6 -9.739 -4.662 -1.889 67 2H6 A 6 2H6 A 6 -10.318 -3.287 -0.968 68 H2 A 6 H2 A 6 -7.167 -3.029 -5.157 69 1H5* A 7 1H5' A 7 -5.881 6.421 -8.396 70 2H5* A 7 2H5' A 7 -5.452 5.006 -7.436 71 H4* A 7 H4' A 7 -5.688 7.885 -6.385 72 H3* A 7 H3' A 7 -3.576 7.109 -7.959 73 1H2* A 7 1H2' A 7 -1.876 6.402 -5.918 74 2H2* A 7 2H2' A 7 -3.014 5.207 -6.556 75 H1* A 7 H1' A 7 -3.388 7.087 -4.164 76 H8 A 7 H8 A 7 -3.580 3.340 -5.318 77 1H6 A 7 1H6 A 7 -4.073 1.938 0.651 78 2H6 A 7 2H6 A 7 -4.241 1.339 -0.987 79 H2 A 7 H2 A 7 -3.351 6.348 0.352 80 1H5* G 8 1H5' G 8 -2.519 9.337 -4.010 81 2H5* G 8 2H5' G 8 -1.157 10.449 -4.189 82 H4* G 8 H4' G 8 -1.114 9.178 -2.072 83 H3* G 8 H3' G 8 1.205 9.194 -3.915 84 1H2* G 8 1H2' G 8 2.075 7.088 -2.412 85 2H2* G 8 2H2' G 8 1.287 6.949 -3.991 86 H1* G 8 H1' G 8 -0.054 6.809 -1.256 87 H8 G 8 H8 G 8 -0.019 5.230 -4.824 88 H1 G 8 H1 G 8 -1.247 1.064 -0.107 89 1H2 G 8 1H2 G 8 -0.840 3.854 1.994 90 2H2 G 8 2H2 G 8 -1.245 2.153 1.878 91 1H5* T 9 1H5' T 9 0.861 9.074 0.756 92 2H5* T 9 2H5' T 9 2.254 9.828 1.546 93 H4* T 9 H4' T 9 1.224 7.943 2.828 94 H3* T 9 H3' T 9 3.998 8.423 2.476 95 1H2* T 9 1H2' T 9 4.543 5.731 2.583 96 2H2* T 9 2H2' T 9 4.333 6.603 1.045 97 H1* T 9 H1' T 9 2.252 5.120 2.691 98 H3 T 9 H3 T 9 2.117 1.373 0.047 99 1H5M T 9 1H5M T 9 2.673 4.595 -3.679 100 2H5M T 9 2H5M T 9 4.006 5.516 -2.951 101 3H5M T 9 3H5M T 9 4.254 3.831 -3.433 102 H6 T 9 H6 T 9 3.309 5.938 -0.797 103 1H5* A 10 1H5' A 10 2.310 5.268 5.630 104 2H5* A 10 2H5' A 10 3.245 5.485 7.122 105 H4* A 10 H4' A 10 2.541 3.165 6.858 106 H3* A 10 H3' A 10 5.226 3.947 7.377 107 1H2* A 10 1H2' A 10 6.214 1.750 6.048 108 2H2* A 10 2H2' A 10 5.972 3.311 5.220 109 H1* A 10 H1' A 10 3.977 1.016 5.423 110 H8 A 10 H8 A 10 5.587 3.508 2.856 111 1H6 A 10 1H6 A 10 4.408 -0.875 -1.364 112 2H6 A 10 2H6 A 10 5.003 0.750 -1.101 113 H2 A 10 H2 A 10 3.303 -2.484 2.665 114 1H5* C 11 1H5' C3' 11 4.198 -0.701 7.587 115 2H5* C 11 2H5' C3' 11 5.047 -1.402 8.982 116 H4* C 11 H4' C3' 11 5.259 -2.904 7.083 117 H3* C 11 H3' C3' 11 7.517 -1.956 8.513 118 1H2* C 11 1H2' C3' 11 8.088 -0.487 6.848 119 2H2* C 11 2H2' C3' 11 9.108 -1.839 6.291 120 H1* C 11 H1' C3' 11 7.268 -2.785 5.070 121 1H4 C 11 1H4 C3' 11 8.524 1.547 0.183 122 2H4 C 11 2H4 C3' 11 7.838 0.102 -0.537 123 H5 C 11 H5 C3' 11 8.728 1.812 2.646 124 H6 C 11 H6 C3' 11 8.324 0.801 4.731 125 H3T C 11 HO3' C3' 11 8.500 -3.812 7.621 Start of MODEL 11 1 1H5* G 1 1H5' G5' 1 6.043 -9.227 -7.887 2 2H5* G 1 2H5' G5' 1 6.044 -7.449 -7.919 3 H4* G 1 H4' G5' 1 7.302 -9.154 -5.713 4 H3* G 1 H3' G5' 1 4.520 -8.111 -6.066 5 1H2* G 1 1H2' G5' 1 5.066 -7.615 -3.310 6 2H2* G 1 2H2' G5' 1 4.821 -6.447 -4.633 7 H1* G 1 H1' G5' 1 7.397 -7.618 -3.596 8 H8 G 1 H8 G5' 1 7.258 -4.431 -5.693 9 H1 G 1 H1 G5' 1 6.917 -3.219 0.605 10 1H2 G 1 1H2 G5' 1 6.429 -6.688 0.897 11 2H2 G 1 2H2 G5' 1 6.510 -5.144 1.724 12 H5T G 1 H5' G5' 1 7.778 -8.364 -9.103 13 1H5* T 2 1H5' T 2 5.546 -9.768 -2.027 14 2H5* T 2 2H5' T 2 4.370 -11.012 -1.544 15 H4* T 2 H4' T 2 4.799 -9.537 0.342 16 H3* T 2 H3' T 2 2.202 -10.100 -0.598 17 1H2* T 2 1H2' T 2 1.264 -7.597 0.034 18 2H2* T 2 2H2' T 2 1.900 -7.981 -1.591 19 H1* T 2 H1' T 2 3.401 -6.925 0.831 20 H3 T 2 H3 T 2 3.943 -2.558 -0.363 21 1H5M T 2 1H5M T 2 2.717 -5.358 -4.870 22 2H5M T 2 2H5M T 2 2.417 -3.619 -4.741 23 3H5M T 2 3H5M T 2 4.072 -4.206 -4.973 24 H6 T 2 H6 T 2 2.918 -6.513 -2.872 25 1H5* A 3 1H5' A 3 2.255 -7.579 3.748 26 2H5* A 3 2H5' A 3 0.925 -8.391 4.601 27 H4* A 3 H4' A 3 0.793 -6.053 5.091 28 H3* A 3 H3' A 3 -1.394 -7.432 3.820 29 1H2* A 3 1H2' A 3 -2.260 -5.004 2.826 30 2H2* A 3 2H2' A 3 -1.248 -6.134 1.875 31 H1* A 3 H1' A 3 -0.350 -3.853 3.670 32 H8 A 3 H8 A 3 0.086 -5.399 0.102 33 1H6 A 3 1H6 A 3 1.764 0.258 -1.725 34 2H6 A 3 2H6 A 3 1.570 -1.415 -2.195 35 H2 A 3 H2 A 3 0.718 0.479 2.622 36 1H5* C 4 1H5' C 4 -1.987 -3.384 6.271 37 2H5* C 4 2H5' C 4 -3.554 -3.443 7.103 38 H4* C 4 H4' C 4 -2.955 -1.172 6.334 39 H3* C 4 H3' C 4 -5.492 -2.343 5.981 40 1H2* C 4 1H2' C 4 -5.893 -1.192 3.531 41 2H2* C 4 2H2' C 4 -5.123 -2.785 3.686 42 H1* C 4 H1' C 4 -3.759 -0.067 3.716 43 1H4 C 4 1H4 C 4 -1.953 -2.833 -2.143 44 2H4 C 4 2H4 C 4 -1.469 -1.146 -2.164 45 H5 C 4 H5 C 4 -3.052 -3.858 -0.153 46 H6 C 4 H6 C 4 -3.874 -3.410 2.064 47 1H5* A 5 1H5' A 5 -4.923 1.863 4.185 48 2H5* A 5 2H5' A 5 -6.261 2.959 4.548 49 H4* A 5 H4' A 5 -5.507 3.087 2.191 50 H3* A 5 H3' A 5 -8.175 3.071 2.974 51 1H2* A 5 1H2' A 5 -9.062 1.345 1.092 52 2H2* A 5 2H2' A 5 -8.374 0.682 2.581 53 H1* A 5 H1' A 5 -6.873 1.302 0.014 54 H8 A 5 H8 A 5 -8.318 -1.578 1.992 55 1H6 A 5 1H6 A 5 -5.480 -5.186 -2.168 56 2H6 A 5 2H6 A 5 -6.506 -5.162 -0.746 57 H2 A 5 H2 A 5 -4.344 -0.943 -3.005 58 1H5* A 6 1H5' A 6 -6.948 5.072 -1.472 59 2H5* A 6 2H5' A 6 -8.281 5.692 -2.238 60 H4* A 6 H4' A 6 -6.595 4.368 -3.702 61 H3* A 6 H3' A 6 -9.227 4.693 -4.496 62 1H2* A 6 1H2' A 6 -9.635 2.135 -5.136 63 2H2* A 6 2H2' A 6 -9.983 2.604 -3.448 64 H1* A 6 H1' A 6 -7.479 1.357 -4.580 65 H8 A 6 H8 A 6 -9.714 1.396 -1.448 66 1H6 A 6 1H6 A 6 -9.496 -4.784 -1.826 67 2H6 A 6 2H6 A 6 -10.088 -3.421 -0.895 68 H2 A 6 H2 A 6 -7.039 -3.094 -5.154 69 1H5* A 7 1H5' A 7 -5.986 6.340 -8.392 70 2H5* A 7 2H5' A 7 -5.543 4.935 -7.423 71 H4* A 7 H4' A 7 -5.769 7.819 -6.389 72 H3* A 7 H3' A 7 -3.680 7.039 -7.997 73 1H2* A 7 1H2' A 7 -1.942 6.365 -5.975 74 2H2* A 7 2H2' A 7 -3.084 5.156 -6.582 75 H1* A 7 H1' A 7 -3.436 7.064 -4.209 76 H8 A 7 H8 A 7 -3.568 3.295 -5.299 77 1H6 A 7 1H6 A 7 -4.003 1.980 0.693 78 2H6 A 7 2H6 A 7 -4.167 1.355 -0.935 79 H2 A 7 H2 A 7 -3.361 6.399 0.322 80 1H5* G 8 1H5' G 8 -2.599 9.329 -4.091 81 2H5* G 8 2H5' G 8 -1.251 10.454 -4.300 82 H4* G 8 H4' G 8 -1.180 9.216 -2.161 83 H3* G 8 H3' G 8 1.128 9.237 -4.020 84 1H2* G 8 1H2' G 8 2.037 7.172 -2.486 85 2H2* G 8 2H2' G 8 1.247 6.995 -4.059 86 H1* G 8 H1' G 8 -0.082 6.873 -1.317 87 H8 G 8 H8 G 8 -0.042 5.251 -4.864 88 H1 G 8 H1 G 8 -1.177 1.123 -0.092 89 1H2 G 8 1H2 G 8 -0.808 3.944 1.973 90 2H2 G 8 2H2 G 8 -1.186 2.235 1.880 91 1H5* T 9 1H5' T 9 0.806 9.180 0.655 92 2H5* T 9 2H5' T 9 2.188 9.975 1.424 93 H4* T 9 H4' T 9 1.207 8.095 2.747 94 H3* T 9 H3' T 9 3.967 8.619 2.358 95 1H2* T 9 1H2' T 9 4.566 5.938 2.500 96 2H2* T 9 2H2' T 9 4.318 6.787 0.953 97 H1* T 9 H1' T 9 2.287 5.289 2.648 98 H3 T 9 H3 T 9 2.181 1.494 0.070 99 1H5M T 9 1H5M T 9 3.981 5.615 -3.017 100 2H5M T 9 2H5M T 9 4.254 3.926 -3.473 101 3H5M T 9 3H5M T 9 2.658 4.656 -3.715 102 H6 T 9 H6 T 9 3.296 6.061 -0.865 103 1H5* A 10 1H5' A 10 2.383 5.510 5.614 104 2H5* A 10 2H5' A 10 3.365 5.727 7.078 105 H4* A 10 H4' A 10 2.669 3.398 6.814 106 H3* A 10 H3' A 10 5.379 4.198 7.246 107 1H2* A 10 1H2' A 10 6.299 1.989 5.909 108 2H2* A 10 2H2' A 10 6.046 3.545 5.081 109 H1* A 10 H1' A 10 4.031 1.269 5.346 110 H8 A 10 H8 A 10 5.644 3.717 2.738 111 1H6 A 10 1H6 A 10 4.639 -0.784 -1.395 112 2H6 A 10 2H6 A 10 5.212 0.852 -1.155 113 H2 A 10 H2 A 10 3.385 -2.289 2.628 114 1H5* C 11 1H5' C3' 11 3.804 -0.230 7.751 115 2H5* C 11 2H5' C3' 11 4.589 -0.993 9.149 116 H4* C 11 H4' C3' 11 4.132 -2.603 7.329 117 H3* C 11 H3' C3' 11 6.691 -2.308 8.621 118 1H2* C 11 1H2' C3' 11 7.889 -3.334 6.366 119 2H2* C 11 2H2' C3' 11 7.772 -1.582 6.681 120 H1* C 11 H1' C3' 11 5.791 -3.331 5.149 121 1H4 C 11 1H4 C3' 11 8.485 1.084 0.819 122 2H4 C 11 2H4 C3' 11 8.067 -0.367 -0.074 123 H5 C 11 H5 C3' 11 8.170 1.240 3.292 124 H6 C 11 H6 C3' 11 7.303 0.089 5.215 125 H3T C 11 HO3' C3' 11 5.573 -4.403 7.048 Start of MODEL 12 1 1H5* G 1 1H5' G5' 1 7.460 -8.346 -8.073 2 2H5* G 1 2H5' G5' 1 5.891 -7.519 -7.988 3 H4* G 1 H4' G5' 1 7.195 -9.173 -5.772 4 H3* G 1 H3' G5' 1 4.403 -8.127 -6.090 5 1H2* G 1 1H2' G5' 1 5.006 -7.625 -3.347 6 2H2* G 1 2H2' G5' 1 4.735 -6.462 -4.670 7 H1* G 1 H1' G5' 1 7.330 -7.630 -3.680 8 H8 G 1 H8 G5' 1 7.156 -4.452 -5.789 9 H1 G 1 H1 G5' 1 6.940 -3.218 0.510 10 1H2 G 1 1H2 G5' 1 6.443 -6.684 0.821 11 2H2 G 1 2H2 G5' 1 6.543 -5.138 1.643 12 H5T G 1 H5' G5' 1 6.273 -10.314 -7.654 13 1H5* T 2 1H5' T 2 5.509 -9.771 -2.062 14 2H5* T 2 2H5' T 2 4.344 -11.018 -1.558 15 H4* T 2 H4' T 2 4.798 -9.545 0.321 16 H3* T 2 H3' T 2 2.189 -10.109 -0.579 17 1H2* T 2 1H2' T 2 1.256 -7.604 0.052 18 2H2* T 2 2H2' T 2 1.876 -7.994 -1.576 19 H1* T 2 H1' T 2 3.401 -6.932 0.828 20 H3 T 2 H3 T 2 3.939 -2.567 -0.376 21 1H5M T 2 1H5M T 2 2.342 -3.625 -4.728 22 2H5M T 2 2H5M T 2 3.992 -4.217 -4.988 23 3H5M T 2 3H5M T 2 2.636 -5.365 -4.862 24 H6 T 2 H6 T 2 2.866 -6.520 -2.868 25 1H5* A 3 1H5' A 3 2.277 -7.564 3.759 26 2H5* A 3 2H5' A 3 0.954 -8.377 4.623 27 H4* A 3 H4' A 3 0.812 -6.038 5.100 28 H3* A 3 H3' A 3 -1.372 -7.432 3.834 29 1H2* A 3 1H2' A 3 -2.249 -5.008 2.837 30 2H2* A 3 2H2' A 3 -1.233 -6.136 1.888 31 H1* A 3 H1' A 3 -0.341 -3.850 3.679 32 H8 A 3 H8 A 3 0.089 -5.395 0.111 33 1H6 A 3 1H6 A 3 1.752 0.267 -1.719 34 2H6 A 3 2H6 A 3 1.561 -1.407 -2.191 35 H2 A 3 H2 A 3 0.722 0.484 2.630 36 1H5* C 4 1H5' C 4 -1.961 -3.382 6.265 37 2H5* C 4 2H5' C 4 -3.523 -3.432 7.106 38 H4* C 4 H4' C 4 -2.927 -1.169 6.319 39 H3* C 4 H3' C 4 -5.466 -2.345 5.977 40 1H2* C 4 1H2' C 4 -5.873 -1.193 3.527 41 2H2* C 4 2H2' C 4 -5.104 -2.787 3.680 42 H1* C 4 H1' C 4 -3.736 -0.071 3.711 43 1H4 C 4 1H4 C 4 -1.943 -2.824 -2.158 44 2H4 C 4 2H4 C 4 -1.464 -1.136 -2.177 45 H5 C 4 H5 C 4 -3.041 -3.855 -0.168 46 H6 C 4 H6 C 4 -3.856 -3.411 2.053 47 1H5* A 5 1H5' A 5 -4.899 1.858 4.178 48 2H5* A 5 2H5' A 5 -6.234 2.956 4.550 49 H4* A 5 H4' A 5 -5.496 3.089 2.190 50 H3* A 5 H3' A 5 -8.162 3.055 2.993 51 1H2* A 5 1H2' A 5 -9.049 1.341 1.099 52 2H2* A 5 2H2' A 5 -8.351 0.670 2.580 53 H1* A 5 H1' A 5 -6.862 1.317 0.013 54 H8 A 5 H8 A 5 -8.302 -1.582 1.963 55 1H6 A 5 1H6 A 5 -5.453 -5.150 -2.224 56 2H6 A 5 2H6 A 5 -6.481 -5.140 -0.803 57 H2 A 5 H2 A 5 -4.325 -0.898 -3.025 58 1H5* A 6 1H5' A 6 -6.959 5.104 -1.425 59 2H5* A 6 2H5' A 6 -8.288 5.723 -2.197 60 H4* A 6 H4' A 6 -6.590 4.405 -3.655 61 H3* A 6 H3' A 6 -9.215 4.735 -4.467 62 1H2* A 6 1H2' A 6 -9.623 2.179 -5.119 63 2H2* A 6 2H2' A 6 -9.984 2.643 -3.433 64 H1* A 6 H1' A 6 -7.475 1.394 -4.548 65 H8 A 6 H8 A 6 -9.731 1.431 -1.432 66 1H6 A 6 1H6 A 6 -9.530 -4.749 -1.829 67 2H6 A 6 2H6 A 6 -10.124 -3.387 -0.897 68 H2 A 6 H2 A 6 -7.049 -3.054 -5.137 69 1H5* A 7 1H5' A 7 -5.980 6.403 -8.359 70 2H5* A 7 2H5' A 7 -5.528 4.993 -7.403 71 H4* A 7 H4' A 7 -5.770 7.869 -6.349 72 H3* A 7 H3' A 7 -3.675 7.107 -7.957 73 1H2* A 7 1H2' A 7 -1.939 6.424 -5.937 74 2H2* A 7 2H2' A 7 -3.074 5.216 -6.556 75 H1* A 7 H1' A 7 -3.435 7.102 -4.166 76 H8 A 7 H8 A 7 -3.579 3.345 -5.297 77 1H6 A 7 1H6 A 7 -3.992 1.969 0.684 78 2H6 A 7 2H6 A 7 -4.164 1.360 -0.949 79 H2 A 7 H2 A 7 -3.348 6.389 0.355 80 1H5* G 8 1H5' G 8 -2.595 9.363 -4.031 81 2H5* G 8 2H5' G 8 -1.248 10.491 -4.231 82 H4* G 8 H4' G 8 -1.167 9.231 -2.107 83 H3* G 8 H3' G 8 1.133 9.262 -3.977 84 1H2* G 8 1H2' G 8 2.044 7.187 -2.458 85 2H2* G 8 2H2' G 8 1.250 7.021 -4.031 86 H1* G 8 H1' G 8 -0.072 6.882 -1.287 87 H8 G 8 H8 G 8 -0.047 5.287 -4.846 88 H1 G 8 H1 G 8 -1.169 1.124 -0.100 89 1H2 G 8 1H2 G 8 -0.784 3.929 1.984 90 2H2 G 8 2H2 G 8 -1.165 2.222 1.879 91 1H5* T 9 1H5' T 9 0.833 9.183 0.700 92 2H5* T 9 2H5' T 9 2.220 9.975 1.463 93 H4* T 9 H4' T 9 1.250 8.092 2.788 94 H3* T 9 H3' T 9 4.007 8.613 2.375 95 1H2* T 9 1H2' T 9 4.603 5.930 2.503 96 2H2* T 9 2H2' T 9 4.342 6.786 0.961 97 H1* T 9 H1' T 9 2.324 5.284 2.669 98 H3 T 9 H3 T 9 2.186 1.499 0.079 99 1H5M T 9 1H5M T 9 3.974 5.626 -3.007 100 2H5M T 9 2H5M T 9 4.249 3.938 -3.466 101 3H5M T 9 3H5M T 9 2.650 4.665 -3.702 102 H6 T 9 H6 T 9 3.306 6.066 -0.850 103 1H5* A 10 1H5' A 10 2.453 5.505 5.643 104 2H5* A 10 2H5' A 10 3.454 5.706 7.095 105 H4* A 10 H4' A 10 2.741 3.382 6.815 106 H3* A 10 H3' A 10 5.463 4.165 7.226 107 1H2* A 10 1H2' A 10 6.346 1.947 5.876 108 2H2* A 10 2H2' A 10 6.106 3.510 5.057 109 H1* A 10 H1' A 10 4.065 1.258 5.326 110 H8 A 10 H8 A 10 5.678 3.703 2.715 111 1H6 A 10 1H6 A 10 4.628 -0.789 -1.420 112 2H6 A 10 2H6 A 10 5.215 0.843 -1.182 113 H2 A 10 H2 A 10 3.385 -2.290 2.607 114 1H5* C 11 1H5' C3' 11 3.870 -0.244 7.680 115 2H5* C 11 2H5' C3' 11 4.646 -1.040 9.063 116 H4* C 11 H4' C3' 11 4.184 -2.608 7.206 117 H3* C 11 H3' C3' 11 6.736 -2.370 8.517 118 1H2* C 11 1H2' C3' 11 7.951 -3.326 6.247 119 2H2* C 11 2H2' C3' 11 7.820 -1.577 6.589 120 H1* C 11 H1' C3' 11 5.839 -3.317 5.044 121 1H4 C 11 1H4 C3' 11 8.516 1.092 0.697 122 2H4 C 11 2H4 C3' 11 8.076 -0.356 -0.193 123 H5 C 11 H5 C3' 11 8.229 1.245 3.174 124 H6 C 11 H6 C3' 11 7.380 0.093 5.107 125 H3T C 11 HO3' C3' 11 5.363 -4.236 8.361 Start of MODEL 13 1 1H5* G 1 1H5' G5' 1 5.917 -9.164 -7.994 2 2H5* G 1 2H5' G5' 1 7.431 -8.242 -8.107 3 H4* G 1 H4' G5' 1 7.192 -9.158 -5.851 4 H3* G 1 H3' G5' 1 4.395 -8.144 -6.062 5 1H2* G 1 1H2' G5' 1 5.006 -7.606 -3.347 6 2H2* G 1 2H2' G5' 1 4.770 -6.444 -4.679 7 H1* G 1 H1' G5' 1 7.345 -7.649 -3.669 8 H8 G 1 H8 G5' 1 7.202 -4.446 -5.740 9 H1 G 1 H1 G5' 1 6.930 -3.276 0.569 10 1H2 G 1 1H2 G5' 1 6.437 -6.746 0.841 11 2H2 G 1 2H2 G5' 1 6.526 -5.207 1.678 12 H5T G 1 H5' G5' 1 6.170 -6.347 -7.725 13 1H5* T 2 1H5' T 2 5.542 -9.774 -2.025 14 2H5* T 2 2H5' T 2 4.379 -11.023 -1.522 15 H4* T 2 H4' T 2 4.816 -9.536 0.350 16 H3* T 2 H3' T 2 2.212 -10.111 -0.565 17 1H2* T 2 1H2' T 2 1.273 -7.606 0.061 18 2H2* T 2 2H2' T 2 1.899 -7.998 -1.566 19 H1* T 2 H1' T 2 3.416 -6.930 0.840 20 H3 T 2 H3 T 2 3.958 -2.567 -0.370 21 1H5M T 2 1H5M T 2 2.662 -5.371 -4.854 22 2H5M T 2 2H5M T 2 2.353 -3.635 -4.717 23 3H5M T 2 3H5M T 2 4.008 -4.211 -4.980 24 H6 T 2 H6 T 2 2.892 -6.526 -2.857 25 1H5* A 3 1H5' A 3 2.288 -7.560 3.769 26 2H5* A 3 2H5' A 3 0.966 -8.374 4.632 27 H4* A 3 H4' A 3 0.817 -6.036 5.109 28 H3* A 3 H3' A 3 -1.362 -7.434 3.840 29 1H2* A 3 1H2' A 3 -2.242 -5.013 2.839 30 2H2* A 3 2H2' A 3 -1.220 -6.140 1.893 31 H1* A 3 H1' A 3 -0.339 -3.850 3.684 32 H8 A 3 H8 A 3 0.109 -5.398 0.119 33 1H6 A 3 1H6 A 3 1.759 0.266 -1.714 34 2H6 A 3 2H6 A 3 1.577 -1.409 -2.182 35 H2 A 3 H2 A 3 0.705 0.488 2.630 36 1H5* C 4 1H5' C 4 -1.967 -3.383 6.267 37 2H5* C 4 2H5' C 4 -3.531 -3.440 7.104 38 H4* C 4 H4' C 4 -2.943 -1.174 6.317 39 H3* C 4 H3' C 4 -5.477 -2.361 5.969 40 1H2* C 4 1H2' C 4 -5.882 -1.213 3.518 41 2H2* C 4 2H2' C 4 -5.107 -2.803 3.675 42 H1* C 4 H1' C 4 -3.750 -0.082 3.706 43 1H4 C 4 1H4 C 4 -1.932 -2.834 -2.156 44 2H4 C 4 2H4 C 4 -1.457 -1.145 -2.175 45 H5 C 4 H5 C 4 -3.030 -3.867 -0.167 46 H6 C 4 H6 C 4 -3.853 -3.423 2.051 47 1H5* A 5 1H5' A 5 -4.916 1.845 4.178 48 2H5* A 5 2H5' A 5 -6.258 2.938 4.542 49 H4* A 5 H4' A 5 -5.501 3.075 2.187 50 H3* A 5 H3' A 5 -8.172 3.041 2.968 51 1H2* A 5 1H2' A 5 -9.046 1.324 1.073 52 2H2* A 5 2H2' A 5 -8.356 0.654 2.558 53 H1* A 5 H1' A 5 -6.852 1.303 0.000 54 H8 A 5 H8 A 5 -8.290 -1.602 1.946 55 1H6 A 5 1H6 A 5 -5.430 -5.156 -2.245 56 2H6 A 5 2H6 A 5 -6.458 -5.151 -0.824 57 H2 A 5 H2 A 5 -4.313 -0.901 -3.039 58 1H5* A 6 1H5' A 6 -6.948 5.080 -1.462 59 2H5* A 6 2H5' A 6 -8.282 5.698 -2.228 60 H4* A 6 H4' A 6 -6.587 4.385 -3.694 61 H3* A 6 H3' A 6 -9.217 4.708 -4.494 62 1H2* A 6 1H2' A 6 -9.618 2.152 -5.147 63 2H2* A 6 2H2' A 6 -9.974 2.613 -3.459 64 H1* A 6 H1' A 6 -7.465 1.375 -4.587 65 H8 A 6 H8 A 6 -9.710 1.398 -1.463 66 1H6 A 6 1H6 A 6 -9.483 -4.780 -1.867 67 2H6 A 6 2H6 A 6 -10.080 -3.422 -0.931 68 H2 A 6 H2 A 6 -7.020 -3.072 -5.181 69 1H5* A 7 1H5' A 7 -5.981 6.393 -8.375 70 2H5* A 7 2H5' A 7 -5.531 4.980 -7.422 71 H4* A 7 H4' A 7 -5.767 7.854 -6.361 72 H3* A 7 H3' A 7 -3.675 7.091 -7.973 73 1H2* A 7 1H2' A 7 -1.937 6.400 -5.958 74 2H2* A 7 2H2' A 7 -3.079 5.196 -6.575 75 H1* A 7 H1' A 7 -3.431 7.084 -4.185 76 H8 A 7 H8 A 7 -3.561 3.325 -5.307 77 1H6 A 7 1H6 A 7 -3.994 1.960 0.675 78 2H6 A 7 2H6 A 7 -4.164 1.348 -0.958 79 H2 A 7 H2 A 7 -3.353 6.381 0.339 80 1H5* G 8 1H5' G 8 -2.595 9.347 -4.044 81 2H5* G 8 2H5' G 8 -1.247 10.474 -4.246 82 H4* G 8 H4' G 8 -1.172 9.220 -2.118 83 H3* G 8 H3' G 8 1.132 9.254 -3.982 84 1H2* G 8 1H2' G 8 2.045 7.180 -2.462 85 2H2* G 8 2H2' G 8 1.251 7.013 -4.036 86 H1* G 8 H1' G 8 -0.072 6.873 -1.292 87 H8 G 8 H8 G 8 -0.037 5.274 -4.848 88 H1 G 8 H1 G 8 -1.172 1.116 -0.101 89 1H2 G 8 1H2 G 8 -0.795 3.923 1.981 90 2H2 G 8 2H2 G 8 -1.177 2.217 1.877 91 1H5* T 9 1H5' T 9 0.836 9.189 0.699 92 2H5* T 9 2H5' T 9 2.224 9.982 1.458 93 H4* T 9 H4' T 9 1.255 8.103 2.790 94 H3* T 9 H3' T 9 4.011 8.621 2.375 95 1H2* T 9 1H2' T 9 4.607 5.940 2.502 96 2H2* T 9 2H2' T 9 4.343 6.795 0.960 97 H1* T 9 H1' T 9 2.329 5.293 2.674 98 H3 T 9 H3 T 9 2.182 1.505 0.088 99 1H5M T 9 1H5M T 9 3.989 5.621 -3.000 100 2H5M T 9 2H5M T 9 4.249 3.931 -3.461 101 3H5M T 9 3H5M T 9 2.656 4.674 -3.694 102 H6 T 9 H6 T 9 3.308 6.069 -0.848 103 1H5* A 10 1H5' A 10 2.456 5.519 5.647 104 2H5* A 10 2H5' A 10 3.461 5.712 7.097 105 H4* A 10 H4' A 10 2.733 3.393 6.811 106 H3* A 10 H3' A 10 5.454 4.155 7.238 107 1H2* A 10 1H2' A 10 6.344 1.960 5.860 108 2H2* A 10 2H2' A 10 6.095 3.528 5.055 109 H1* A 10 H1' A 10 4.060 1.268 5.315 110 H8 A 10 H8 A 10 5.684 3.714 2.711 111 1H6 A 10 1H6 A 10 4.648 -0.782 -1.425 112 2H6 A 10 2H6 A 10 5.237 0.849 -1.187 113 H2 A 10 H2 A 10 3.375 -2.273 2.594 114 1H5* C 11 1H5' C3' 11 3.776 -0.234 7.695 115 2H5* C 11 2H5' C3' 11 4.535 -1.031 9.088 116 H4* C 11 H4' C3' 11 4.004 -2.612 7.259 117 H3* C 11 H3' C3' 11 6.544 -2.470 8.579 118 1H2* C 11 1H2' C3' 11 7.775 -3.435 6.322 119 2H2* C 11 2H2' C3' 11 7.668 -1.686 6.665 120 H1* C 11 H1' C3' 11 5.687 -3.388 5.081 121 1H4 C 11 1H4 C3' 11 8.502 1.017 0.821 122 2H4 C 11 2H4 C3' 11 8.086 -0.427 -0.085 123 H5 C 11 H5 C3' 11 8.156 1.161 3.291 124 H6 C 11 H6 C3' 11 7.248 0.007 5.195 125 H3T C 11 HO3' C3' 11 6.578 -4.677 7.931 Start of MODEL 14 1 1H5* G 1 1H5' G5' 1 7.555 -8.318 -8.008 2 2H5* G 1 2H5' G5' 1 6.013 -9.193 -7.933 3 H4* G 1 H4' G5' 1 7.252 -9.188 -5.760 4 H3* G 1 H3' G5' 1 4.461 -8.169 -6.029 5 1H2* G 1 1H2' G5' 1 5.026 -7.634 -3.305 6 2H2* G 1 2H2' G5' 1 4.810 -6.472 -4.640 7 H1* G 1 H1' G5' 1 7.367 -7.670 -3.580 8 H8 G 1 H8 G5' 1 7.249 -4.483 -5.681 9 H1 G 1 H1 G5' 1 6.911 -3.260 0.615 10 1H2 G 1 1H2 G5' 1 6.411 -6.727 0.913 11 2H2 G 1 2H2 G5' 1 6.497 -5.181 1.737 12 H5T G 1 H5' G5' 1 4.977 -7.165 -7.715 13 1H5* T 2 1H5' T 2 5.533 -9.805 -1.983 14 2H5* T 2 2H5' T 2 4.357 -11.049 -1.498 15 H4* T 2 H4' T 2 4.770 -9.562 0.380 16 H3* T 2 H3' T 2 2.178 -10.127 -0.579 17 1H2* T 2 1H2' T 2 1.243 -7.619 0.046 18 2H2* T 2 2H2' T 2 1.885 -8.009 -1.575 19 H1* T 2 H1' T 2 3.378 -6.953 0.851 20 H3 T 2 H3 T 2 3.938 -2.588 -0.348 21 1H5M T 2 1H5M T 2 2.406 -3.652 -4.722 22 2H5M T 2 2H5M T 2 4.061 -4.238 -4.957 23 3H5M T 2 3H5M T 2 2.706 -5.391 -4.851 24 H6 T 2 H6 T 2 2.908 -6.546 -2.852 25 1H5* A 3 1H5' A 3 2.215 -7.602 3.762 26 2H5* A 3 2H5' A 3 0.878 -8.408 4.610 27 H4* A 3 H4' A 3 0.750 -6.069 5.095 28 H3* A 3 H3' A 3 -1.433 -7.444 3.807 29 1H2* A 3 1H2' A 3 -2.285 -5.012 2.810 30 2H2* A 3 2H2' A 3 -1.269 -6.145 1.865 31 H1* A 3 H1' A 3 -0.375 -3.867 3.666 32 H8 A 3 H8 A 3 0.075 -5.414 0.100 33 1H6 A 3 1H6 A 3 1.769 0.242 -1.718 34 2H6 A 3 2H6 A 3 1.572 -1.431 -2.191 35 H2 A 3 H2 A 3 0.716 0.462 2.626 36 1H5* C 4 1H5' C 4 -2.017 -3.400 6.248 37 2H5* C 4 2H5' C 4 -3.586 -3.445 7.077 38 H4* C 4 H4' C 4 -2.968 -1.181 6.303 39 H3* C 4 H3' C 4 -5.512 -2.338 5.942 40 1H2* C 4 1H2' C 4 -5.897 -1.181 3.492 41 2H2* C 4 2H2' C 4 -5.139 -2.780 3.648 42 H1* C 4 H1' C 4 -3.754 -0.073 3.689 43 1H4 C 4 1H4 C 4 -1.942 -2.836 -2.171 44 2H4 C 4 2H4 C 4 -1.454 -1.151 -2.187 45 H5 C 4 H5 C 4 -3.058 -3.860 -0.187 46 H6 C 4 H6 C 4 -3.885 -3.411 2.028 47 1H5* A 5 1H5' A 5 -4.907 1.863 4.154 48 2H5* A 5 2H5' A 5 -6.238 2.968 4.517 49 H4* A 5 H4' A 5 -5.484 3.099 2.162 50 H3* A 5 H3' A 5 -8.155 3.078 2.945 51 1H2* A 5 1H2' A 5 -9.037 1.368 1.046 52 2H2* A 5 2H2' A 5 -8.353 0.693 2.531 53 H1* A 5 H1' A 5 -6.842 1.336 -0.024 54 H8 A 5 H8 A 5 -8.298 -1.564 1.917 55 1H6 A 5 1H6 A 5 -5.452 -5.126 -2.278 56 2H6 A 5 2H6 A 5 -6.483 -5.118 -0.859 57 H2 A 5 H2 A 5 -4.308 -0.875 -3.061 58 1H5* A 6 1H5' A 6 -6.925 5.115 -1.485 59 2H5* A 6 2H5' A 6 -8.256 5.739 -2.249 60 H4* A 6 H4' A 6 -6.569 4.417 -3.716 61 H3* A 6 H3' A 6 -9.200 4.754 -4.513 62 1H2* A 6 1H2' A 6 -9.611 2.201 -5.170 63 2H2* A 6 2H2' A 6 -9.965 2.663 -3.482 64 H1* A 6 H1' A 6 -7.461 1.413 -4.610 65 H8 A 6 H8 A 6 -9.709 1.443 -1.488 66 1H6 A 6 1H6 A 6 -9.506 -4.736 -1.898 67 2H6 A 6 2H6 A 6 -10.099 -3.377 -0.962 68 H2 A 6 H2 A 6 -7.029 -3.035 -5.205 69 1H5* A 7 1H5' A 7 -5.951 6.429 -8.385 70 2H5* A 7 2H5' A 7 -5.511 5.012 -7.433 71 H4* A 7 H4' A 7 -5.732 7.885 -6.366 72 H3* A 7 H3' A 7 -3.645 7.116 -7.982 73 1H2* A 7 1H2' A 7 -1.909 6.412 -5.970 74 2H2* A 7 2H2' A 7 -3.056 5.214 -6.588 75 H1* A 7 H1' A 7 -3.397 7.098 -4.194 76 H8 A 7 H8 A 7 -3.545 3.342 -5.324 77 1H6 A 7 1H6 A 7 -3.978 1.967 0.655 78 2H6 A 7 2H6 A 7 -4.151 1.358 -0.978 79 H2 A 7 H2 A 7 -3.326 6.386 0.329 80 1H5* G 8 1H5' G 8 -2.550 9.356 -4.050 81 2H5* G 8 2H5' G 8 -1.196 10.477 -4.250 82 H4* G 8 H4' G 8 -1.124 9.214 -2.126 83 H3* G 8 H3' G 8 1.177 9.232 -3.999 84 1H2* G 8 1H2' G 8 2.077 7.163 -2.463 85 2H2* G 8 2H2' G 8 1.291 6.993 -4.039 86 H1* G 8 H1' G 8 -0.045 6.866 -1.301 87 H8 G 8 H8 G 8 -0.013 5.267 -4.857 88 H1 G 8 H1 G 8 -1.161 1.111 -0.111 89 1H2 G 8 1H2 G 8 -0.777 3.917 1.971 90 2H2 G 8 2H2 G 8 -1.163 2.211 1.867 91 1H5* T 9 1H5' T 9 0.860 9.170 0.671 92 2H5* T 9 2H5' T 9 2.244 9.957 1.442 93 H4* T 9 H4' T 9 1.256 8.081 2.763 94 H3* T 9 H3' T 9 4.019 8.591 2.371 95 1H2* T 9 1H2' T 9 4.603 5.907 2.514 96 2H2* T 9 2H2' T 9 4.359 6.757 0.966 97 H1* T 9 H1' T 9 2.321 5.270 2.662 98 H3 T 9 H3 T 9 2.195 1.476 0.083 99 1H5M T 9 1H5M T 9 2.680 4.622 -3.705 100 2H5M T 9 2H5M T 9 3.992 5.596 -3.008 101 3H5M T 9 3H5M T 9 4.283 3.908 -3.456 102 H6 T 9 H6 T 9 3.330 6.038 -0.851 103 1H5* A 10 1H5' A 10 2.422 5.493 5.630 104 2H5* A 10 2H5' A 10 3.407 5.704 7.092 105 H4* A 10 H4' A 10 2.698 3.380 6.829 106 H3* A 10 H3' A 10 5.414 4.164 7.255 107 1H2* A 10 1H2' A 10 6.316 1.947 5.920 108 2H2* A 10 2H2' A 10 6.073 3.505 5.091 109 H1* A 10 H1' A 10 4.042 1.242 5.360 110 H8 A 10 H8 A 10 5.668 3.679 2.749 111 1H6 A 10 1H6 A 10 4.635 -0.820 -1.380 112 2H6 A 10 2H6 A 10 5.220 0.813 -1.141 113 H2 A 10 H2 A 10 3.370 -2.313 2.644 114 1H5* C 11 1H5' C3' 11 3.814 -0.253 7.763 115 2H5* C 11 2H5' C3' 11 4.595 -1.022 9.159 116 H4* C 11 H4' C3' 11 4.129 -2.626 7.337 117 H3* C 11 H3' C3' 11 6.690 -2.347 8.627 118 1H2* C 11 1H2' C3' 11 7.881 -3.378 6.371 119 2H2* C 11 2H2' C3' 11 7.773 -1.625 6.687 120 H1* C 11 H1' C3' 11 5.781 -3.361 5.156 121 1H4 C 11 1H4 C3' 11 8.501 1.036 0.824 122 2H4 C 11 2H4 C3' 11 8.072 -0.412 -0.069 123 H5 C 11 H5 C3' 11 8.188 1.195 3.297 124 H6 C 11 H6 C3' 11 7.316 0.049 5.221 125 H3T C 11 HO3' C3' 11 5.558 -4.433 7.054 Start of MODEL 15 1 1H5* G 1 1H5' G5' 1 5.920 -9.118 -8.023 2 2H5* G 1 2H5' G5' 1 7.423 -8.178 -8.135 3 H4* G 1 H4' G5' 1 7.195 -9.131 -5.889 4 H3* G 1 H3' G5' 1 4.398 -8.120 -6.076 5 1H2* G 1 1H2' G5' 1 5.011 -7.590 -3.363 6 2H2* G 1 2H2' G5' 1 4.778 -6.423 -4.691 7 H1* G 1 H1' G5' 1 7.351 -7.634 -3.683 8 H8 G 1 H8 G5' 1 7.211 -4.424 -5.744 9 H1 G 1 H1 G5' 1 6.927 -3.275 0.569 10 1H2 G 1 1H2 G5' 1 6.435 -6.745 0.829 11 2H2 G 1 2H2 G5' 1 6.522 -5.209 1.671 12 H5T G 1 H5' G5' 1 5.616 -7.085 -9.028 13 1H5* T 2 1H5' T 2 5.549 -9.763 -2.044 14 2H5* T 2 2H5' T 2 4.387 -11.016 -1.549 15 H4* T 2 H4' T 2 4.812 -9.535 0.329 16 H3* T 2 H3' T 2 2.212 -10.108 -0.601 17 1H2* T 2 1H2' T 2 1.270 -7.605 0.033 18 2H2* T 2 2H2' T 2 1.902 -7.990 -1.593 19 H1* T 2 H1' T 2 3.410 -6.934 0.824 20 H3 T 2 H3 T 2 3.953 -2.564 -0.363 21 1H5M T 2 1H5M T 2 2.364 -3.610 -4.720 22 2H5M T 2 2H5M T 2 4.018 -4.188 -4.981 23 3H5M T 2 3H5M T 2 2.670 -5.347 -4.864 24 H6 T 2 H6 T 2 2.900 -6.512 -2.873 25 1H5* A 3 1H5' A 3 2.267 -7.577 3.745 26 2H5* A 3 2H5' A 3 0.942 -8.397 4.599 27 H4* A 3 H4' A 3 0.789 -6.062 5.088 28 H3* A 3 H3' A 3 -1.383 -7.454 3.799 29 1H2* A 3 1H2' A 3 -2.258 -5.028 2.805 30 2H2* A 3 2H2' A 3 -1.230 -6.149 1.859 31 H1* A 3 H1' A 3 -0.360 -3.869 3.668 32 H8 A 3 H8 A 3 0.107 -5.397 0.097 33 1H6 A 3 1H6 A 3 1.763 0.278 -1.695 34 2H6 A 3 2H6 A 3 1.581 -1.394 -2.175 35 H2 A 3 H2 A 3 0.695 0.473 2.647 36 1H5* C 4 1H5' C 4 -2.007 -3.418 6.246 37 2H5* C 4 2H5' C 4 -3.578 -3.478 7.071 38 H4* C 4 H4' C 4 -2.981 -1.209 6.300 39 H3* C 4 H3' C 4 -5.513 -2.392 5.929 40 1H2* C 4 1H2' C 4 -5.901 -1.228 3.482 41 2H2* C 4 2H2' C 4 -5.129 -2.821 3.634 42 H1* C 4 H1' C 4 -3.768 -0.102 3.691 43 1H4 C 4 1H4 C 4 -1.919 -2.821 -2.177 44 2H4 C 4 2H4 C 4 -1.445 -1.131 -2.184 45 H5 C 4 H5 C 4 -3.029 -3.864 -0.200 46 H6 C 4 H6 C 4 -3.864 -3.434 2.016 47 1H5* A 5 1H5' A 5 -4.937 1.823 4.162 48 2H5* A 5 2H5' A 5 -6.279 2.916 4.526 49 H4* A 5 H4' A 5 -5.511 3.066 2.175 50 H3* A 5 H3' A 5 -8.186 3.028 2.944 51 1H2* A 5 1H2' A 5 -9.051 1.324 1.032 52 2H2* A 5 2H2' A 5 -8.370 0.644 2.517 53 H1* A 5 H1' A 5 -6.851 1.308 -0.028 54 H8 A 5 H8 A 5 -8.301 -1.609 1.892 55 1H6 A 5 1H6 A 5 -5.414 -5.139 -2.302 56 2H6 A 5 2H6 A 5 -6.451 -5.142 -0.887 57 H2 A 5 H2 A 5 -4.294 -0.878 -3.065 58 1H5* A 6 1H5' A 6 -6.940 5.095 -1.468 59 2H5* A 6 2H5' A 6 -8.271 5.718 -2.234 60 H4* A 6 H4' A 6 -6.570 4.415 -3.702 61 H3* A 6 H3' A 6 -9.198 4.744 -4.510 62 1H2* A 6 1H2' A 6 -9.595 2.192 -5.184 63 2H2* A 6 2H2' A 6 -9.957 2.641 -3.494 64 H1* A 6 H1' A 6 -7.443 1.412 -4.621 65 H8 A 6 H8 A 6 -9.702 1.411 -1.507 66 1H6 A 6 1H6 A 6 -9.464 -4.765 -1.952 67 2H6 A 6 2H6 A 6 -10.068 -3.414 -1.010 68 H2 A 6 H2 A 6 -6.984 -3.031 -5.240 69 1H5* A 7 1H5' A 7 -5.940 6.459 -8.358 70 2H5* A 7 2H5' A 7 -5.497 5.038 -7.413 71 H4* A 7 H4' A 7 -5.738 7.904 -6.330 72 H3* A 7 H3' A 7 -3.638 7.155 -7.937 73 1H2* A 7 1H2' A 7 -1.910 6.447 -5.920 74 2H2* A 7 2H2' A 7 -3.049 5.248 -6.552 75 H1* A 7 H1' A 7 -3.414 7.117 -4.150 76 H8 A 7 H8 A 7 -3.534 3.367 -5.300 77 1H6 A 7 1H6 A 7 -3.995 1.958 0.669 78 2H6 A 7 2H6 A 7 -4.156 1.357 -0.969 79 H2 A 7 H2 A 7 -3.358 6.381 0.369 80 1H5* G 8 1H5' G 8 -2.577 9.379 -3.983 81 2H5* G 8 2H5' G 8 -1.228 10.507 -4.170 82 H4* G 8 H4' G 8 -1.162 9.235 -2.051 83 H3* G 8 H3' G 8 1.150 9.281 -3.907 84 1H2* G 8 1H2' G 8 2.055 7.197 -2.398 85 2H2* G 8 2H2' G 8 1.269 7.041 -3.976 86 H1* G 8 H1' G 8 -0.067 6.883 -1.239 87 H8 G 8 H8 G 8 -0.018 5.308 -4.807 88 H1 G 8 H1 G 8 -1.170 1.118 -0.093 89 1H2 G 8 1H2 G 8 -0.802 3.911 2.010 90 2H2 G 8 2H2 G 8 -1.183 2.205 1.893 91 1H5* T 9 1H5' T 9 0.837 9.184 0.773 92 2H5* T 9 2H5' T 9 2.223 9.971 1.542 93 H4* T 9 H4' T 9 1.249 8.084 2.858 94 H3* T 9 H3' T 9 4.007 8.604 2.454 95 1H2* T 9 1H2' T 9 4.602 5.921 2.565 96 2H2* T 9 2H2' T 9 4.343 6.786 1.029 97 H1* T 9 H1' T 9 2.323 5.275 2.726 98 H3 T 9 H3 T 9 2.182 1.504 0.115 99 1H5M T 9 1H5M T 9 2.671 4.683 -3.649 100 2H5M T 9 2H5M T 9 3.988 5.644 -2.942 101 3H5M T 9 3H5M T 9 4.270 3.959 -3.405 102 H6 T 9 H6 T 9 3.312 6.073 -0.788 103 1H5* A 10 1H5' A 10 2.444 5.479 5.705 104 2H5* A 10 2H5' A 10 3.447 5.666 7.157 105 H4* A 10 H4' A 10 2.723 3.348 6.860 106 H3* A 10 H3' A 10 5.444 4.112 7.289 107 1H2* A 10 1H2' A 10 6.335 1.923 5.902 108 2H2* A 10 2H2' A 10 6.085 3.496 5.104 109 H1* A 10 H1' A 10 4.053 1.232 5.353 110 H8 A 10 H8 A 10 5.676 3.692 2.763 111 1H6 A 10 1H6 A 10 4.643 -0.779 -1.400 112 2H6 A 10 2H6 A 10 5.233 0.851 -1.152 113 H2 A 10 H2 A 10 3.364 -2.292 2.610 114 1H5* C 11 1H5' C3' 11 3.783 -0.283 7.727 115 2H5* C 11 2H5' C3' 11 4.548 -1.088 9.111 116 H4* C 11 H4' C3' 11 4.021 -2.655 7.268 117 H3* C 11 H3' C3' 11 6.565 -2.511 8.584 118 1H2* C 11 1H2' C3' 11 7.789 -3.463 6.317 119 2H2* C 11 2H2' C3' 11 7.683 -1.716 6.672 120 H1* C 11 H1' C3' 11 5.695 -3.409 5.085 121 1H4 C 11 1H4 C3' 11 8.497 1.017 0.839 122 2H4 C 11 2H4 C3' 11 8.077 -0.422 -0.073 123 H5 C 11 H5 C3' 11 8.160 1.149 3.311 124 H6 C 11 H6 C3' 11 7.258 -0.015 5.212 125 H3T C 11 HO3' C3' 11 6.602 -4.714 7.925 Start of MODEL 16 1 1H5* G 1 1H5' G5' 1 5.940 -9.195 -8.009 2 2H5* G 1 2H5' G5' 1 7.484 -8.323 -8.092 3 H4* G 1 H4' G5' 1 7.194 -9.208 -5.846 4 H3* G 1 H3' G5' 1 4.408 -8.177 -6.089 5 1H2* G 1 1H2' G5' 1 4.988 -7.640 -3.371 6 2H2* G 1 2H2' G5' 1 4.783 -6.476 -4.706 7 H1* G 1 H1' G5' 1 7.332 -7.707 -3.660 8 H8 G 1 H8 G5' 1 7.236 -4.495 -5.725 9 H1 G 1 H1 G5' 1 6.900 -3.345 0.585 10 1H2 G 1 1H2 G5' 1 6.381 -6.812 0.840 11 2H2 G 1 2H2 G5' 1 6.470 -5.276 1.683 12 H5T G 1 H5' G5' 1 4.912 -7.165 -7.772 13 1H5* T 2 1H5' T 2 5.493 -9.822 -2.047 14 2H5* T 2 2H5' T 2 4.310 -11.055 -1.553 15 H4* T 2 H4' T 2 4.754 -9.567 0.318 16 H3* T 2 H3' T 2 2.149 -10.119 -0.611 17 1H2* T 2 1H2' T 2 1.234 -7.608 0.022 18 2H2* T 2 2H2' T 2 1.855 -8.000 -1.606 19 H1* T 2 H1' T 2 3.383 -6.950 0.800 20 H3 T 2 H3 T 2 3.958 -2.591 -0.413 21 1H5M T 2 1H5M T 2 4.030 -4.239 -5.017 22 2H5M T 2 2H5M T 2 2.680 -5.397 -4.902 23 3H5M T 2 3H5M T 2 2.374 -3.659 -4.770 24 H6 T 2 H6 T 2 2.881 -6.547 -2.899 25 1H5* A 3 1H5' A 3 2.271 -7.584 3.721 26 2H5* A 3 2H5' A 3 0.945 -8.381 4.595 27 H4* A 3 H4' A 3 0.843 -6.041 5.081 28 H3* A 3 H3' A 3 -1.374 -7.407 3.848 29 1H2* A 3 1H2' A 3 -2.237 -4.980 2.854 30 2H2* A 3 2H2' A 3 -1.242 -6.119 1.894 31 H1* A 3 H1' A 3 -0.310 -3.837 3.670 32 H8 A 3 H8 A 3 0.084 -5.397 0.102 33 1H6 A 3 1H6 A 3 1.766 0.246 -1.761 34 2H6 A 3 2H6 A 3 1.566 -1.429 -2.222 35 H2 A 3 H2 A 3 0.744 0.491 2.590 36 1H5* C 4 1H5' C 4 -1.902 -3.342 6.285 37 2H5* C 4 2H5' C 4 -3.455 -3.386 7.143 38 H4* C 4 H4' C 4 -2.860 -1.125 6.348 39 H3* C 4 H3' C 4 -5.407 -2.292 6.036 40 1H2* C 4 1H2' C 4 -5.836 -1.150 3.586 41 2H2* C 4 2H2' C 4 -5.071 -2.745 3.738 42 H1* C 4 H1' C 4 -3.695 -0.033 3.740 43 1H4 C 4 1H4 C 4 -1.972 -2.822 -2.133 44 2H4 C 4 2H4 C 4 -1.482 -1.137 -2.164 45 H5 C 4 H5 C 4 -3.055 -3.837 -0.128 46 H6 C 4 H6 C 4 -3.848 -3.379 2.098 47 1H5* A 5 1H5' A 5 -4.840 1.904 4.219 48 2H5* A 5 2H5' A 5 -6.169 3.008 4.598 49 H4* A 5 H4' A 5 -5.444 3.129 2.231 50 H3* A 5 H3' A 5 -8.102 3.123 3.052 51 1H2* A 5 1H2' A 5 -9.022 1.403 1.181 52 2H2* A 5 2H2' A 5 -8.316 0.736 2.659 53 H1* A 5 H1' A 5 -6.846 1.352 0.073 54 H8 A 5 H8 A 5 -8.284 -1.521 2.063 55 1H6 A 5 1H6 A 5 -5.508 -5.143 -2.127 56 2H6 A 5 2H6 A 5 -6.518 -5.114 -0.694 57 H2 A 5 H2 A 5 -4.360 -0.905 -2.975 58 1H5* A 6 1H5' A 6 -6.924 5.127 -1.400 59 2H5* A 6 2H5' A 6 -8.261 5.754 -2.154 60 H4* A 6 H4' A 6 -6.595 4.419 -3.632 61 H3* A 6 H3' A 6 -9.232 4.759 -4.403 62 1H2* A 6 1H2' A 6 -9.662 2.202 -5.037 63 2H2* A 6 2H2' A 6 -9.993 2.677 -3.348 64 H1* A 6 H1' A 6 -7.507 1.410 -4.496 65 H8 A 6 H8 A 6 -9.716 1.472 -1.347 66 1H6 A 6 1H6 A 6 -9.548 -4.710 -1.713 67 2H6 A 6 2H6 A 6 -10.122 -3.341 -0.780 68 H2 A 6 H2 A 6 -7.105 -3.045 -5.064 69 1H5* A 7 1H5' A 7 -6.036 6.397 -8.335 70 2H5* A 7 2H5' A 7 -5.583 4.986 -7.379 71 H4* A 7 H4' A 7 -5.791 7.867 -6.330 72 H3* A 7 H3' A 7 -3.722 7.085 -7.964 73 1H2* A 7 1H2' A 7 -1.964 6.397 -5.965 74 2H2* A 7 2H2' A 7 -3.117 5.194 -6.563 75 H1* A 7 H1' A 7 -3.433 7.094 -4.178 76 H8 A 7 H8 A 7 -3.602 3.331 -5.284 77 1H6 A 7 1H6 A 7 -3.964 1.994 0.709 78 2H6 A 7 2H6 A 7 -4.156 1.376 -0.919 79 H2 A 7 H2 A 7 -3.297 6.409 0.347 80 1H5* G 8 1H5' G 8 -2.581 9.353 -4.060 81 2H5* G 8 2H5' G 8 -1.230 10.472 -4.284 82 H4* G 8 H4' G 8 -1.130 9.226 -2.153 83 H3* G 8 H3' G 8 1.146 9.234 -4.052 84 1H2* G 8 1H2' G 8 2.067 7.166 -2.531 85 2H2* G 8 2H2' G 8 1.253 6.994 -4.092 86 H1* G 8 H1' G 8 -0.035 6.876 -1.331 87 H8 G 8 H8 G 8 -0.060 5.260 -4.880 88 H1 G 8 H1 G 8 -1.152 1.132 -0.097 89 1H2 G 8 1H2 G 8 -0.733 3.947 1.966 90 2H2 G 8 2H2 G 8 -1.126 2.242 1.875 91 1H5* T 9 1H5' T 9 0.913 9.191 0.630 92 2H5* T 9 2H5' T 9 2.314 9.980 1.369 93 H4* T 9 H4' T 9 1.353 8.111 2.719 94 H3* T 9 H3' T 9 4.108 8.611 2.263 95 1H2* T 9 1H2' T 9 4.685 5.926 2.403 96 2H2* T 9 2H2' T 9 4.412 6.772 0.859 97 H1* T 9 H1' T 9 2.406 5.295 2.603 98 H3 T 9 H3 T 9 2.207 1.495 0.036 99 1H5M T 9 1H5M T 9 3.992 5.590 -3.093 100 2H5M T 9 2H5M T 9 4.241 3.897 -3.549 101 3H5M T 9 3H5M T 9 2.648 4.642 -3.765 102 H6 T 9 H6 T 9 3.346 6.049 -0.933 103 1H5* A 10 1H5' A 10 2.555 5.556 5.562 104 2H5* A 10 2H5' A 10 3.571 5.739 7.006 105 H4* A 10 H4' A 10 2.796 3.433 6.729 106 H3* A 10 H3' A 10 5.527 4.144 7.166 107 1H2* A 10 1H2' A 10 6.393 1.946 5.782 108 2H2* A 10 2H2' A 10 6.159 3.517 4.977 109 H1* A 10 H1' A 10 4.100 1.279 5.237 110 H8 A 10 H8 A 10 5.754 3.701 2.631 111 1H6 A 10 1H6 A 10 4.679 -0.795 -1.495 112 2H6 A 10 2H6 A 10 5.283 0.833 -1.262 113 H2 A 10 H2 A 10 3.389 -2.263 2.525 114 1H5* C 11 1H5' C3' 11 3.721 -0.193 7.646 115 2H5* C 11 2H5' C3' 11 4.444 -0.990 9.057 116 H4* C 11 H4' C3' 11 3.846 -2.585 7.261 117 H3* C 11 H3' C3' 11 6.364 -2.544 8.604 118 1H2* C 11 1H2' C3' 11 7.621 -3.535 6.377 119 2H2* C 11 2H2' C3' 11 7.545 -1.783 6.709 120 H1* C 11 H1' C3' 11 5.566 -3.453 5.087 121 1H4 C 11 1H4 C3' 11 8.538 0.902 0.884 122 2H4 C 11 2H4 C3' 11 8.115 -0.534 -0.030 123 H5 C 11 H5 C3' 11 8.149 1.051 3.348 124 H6 C 11 H6 C3' 11 7.183 -0.087 5.233 125 H3T C 11 HO3' C3' 11 6.337 -4.749 7.947 No H/Q in entry = 125
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