NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9638 | 1oka | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* T 1 1H5' T5' 1 10.345 -15.995 -0.702 2 2H5* T 1 2H5' T5' 1 10.677 -15.752 -2.429 3 H4* T 1 H4' T5' 1 11.962 -14.166 -1.054 4 H3* T 1 H3' T5' 1 9.671 -13.962 0.580 5 1H2* T 1 1H2' T5' 1 9.325 -11.333 0.031 6 2H2* T 1 2H2' T5' 1 8.499 -12.579 -0.935 7 H1* T 1 H1' T5' 1 11.227 -11.318 -1.499 8 H3 T 1 H3 T5' 1 9.763 -8.171 -4.428 9 1H5M T 1 1H5M T5' 1 5.701 -11.070 -4.610 10 2H5M T 1 2H5M T5' 1 6.571 -11.193 -6.155 11 3H5M T 1 3H5M T5' 1 6.609 -12.543 -5.012 12 H6 T 1 H6 T5' 1 8.149 -12.529 -3.214 13 H5T T 1 H5' T5' 1 8.452 -15.979 -2.010 14 1H5* C 2 1H5' C 2 13.007 -10.170 1.286 15 2H5* C 2 2H5' C 2 12.709 -9.782 2.980 16 H4* C 2 H4' C 2 13.065 -7.795 1.538 17 H3* C 2 H3' C 2 11.054 -8.101 3.557 18 1H2* C 2 1H2' C 2 9.410 -6.351 2.283 19 2H2* C 2 2H2' C 2 9.313 -8.099 1.952 20 H1* C 2 H1' C 2 11.116 -6.099 0.521 21 1H4 C 2 1H4 C 2 6.637 -5.819 -4.024 22 2H4 C 2 2H4 C 2 6.114 -7.469 -3.746 23 H5 C 2 H5 C 2 7.097 -8.870 -1.923 24 H6 C 2 H6 C 2 8.778 -8.909 -0.191 25 1H5* A 3 1H5' A 3 12.962 -3.691 2.307 26 2H5* A 3 2H5' A 3 12.877 -2.800 3.830 27 H4* A 3 H4' A 3 12.769 -1.343 1.872 28 H3* A 3 H3' A 3 11.051 -1.213 4.124 29 1H2* A 3 1H2' A 3 8.981 -0.220 2.691 30 2H2* A 3 2H2' A 3 9.177 -1.948 3.062 31 H1* A 3 H1' A 3 10.060 -0.482 0.533 32 H8 A 3 H8 A 3 8.488 -3.755 1.818 33 1H6 A 3 1H6 A 3 4.560 -3.092 -2.965 34 2H6 A 3 2H6 A 3 5.025 -4.145 -1.637 35 H2 A 3 H2 A 3 7.377 0.345 -2.984 36 1H5* T 4 1H5' T 4 11.191 2.773 1.073 37 2H5* T 4 2H5' T 4 10.802 4.146 2.102 38 H4* T 4 H4' T 4 9.752 4.162 -0.200 39 H3* T 4 H3' T 4 8.507 4.825 2.355 40 1H2* T 4 1H2' T 4 6.121 4.624 0.976 41 2H2* T 4 2H2' T 4 6.763 3.351 2.049 42 H1* T 4 H1' T 4 7.230 3.644 -0.948 43 H3 T 4 H3 T 4 3.653 0.993 -1.983 44 1H5M T 4 1H5M T 4 6.260 -1.278 2.189 45 2H5M T 4 2H5M T 4 4.570 -0.873 2.557 46 3H5M T 4 3H5M T 4 4.945 -2.103 1.334 47 H6 T 4 H6 T 4 6.885 0.956 1.571 48 1H5* T 5 1H5' T 5 6.623 7.006 -1.708 49 2H5* T 5 2H5' T 5 6.173 8.599 -1.098 50 H4* T 5 H4' T 5 4.446 7.668 -2.576 51 H3* T 5 H3' T 5 3.993 8.714 0.102 52 1H2* T 5 1H2' T 5 1.591 7.417 0.040 53 2H2* T 5 2H2' T 5 3.030 6.731 0.829 54 H1* T 5 H1' T 5 2.172 6.338 -2.073 55 H3 T 5 H3 T 5 -0.187 2.494 -1.409 56 1H5M T 5 1H5M T 5 4.031 2.338 1.936 57 2H5M T 5 2H5M T 5 2.521 2.555 2.838 58 3H5M T 5 3H5M T 5 2.798 1.060 1.925 59 H6 T 5 H6 T 5 3.589 4.452 0.809 60 1H5* T 6 1H5' T 6 0.675 9.203 -3.475 61 2H5* T 6 2H5' T 6 -0.232 10.679 -3.116 62 H4* T 6 H4' T 6 -1.613 8.818 -4.122 63 H3* T 6 H3' T 6 -2.318 10.435 -1.846 64 1H2* T 6 1H2' T 6 -4.150 8.404 -1.354 65 2H2* T 6 2H2' T 6 -2.650 8.701 -0.426 66 H1* T 6 H1' T 6 -3.164 6.848 -2.798 67 H3 T 6 H3 T 6 -3.157 2.981 -0.418 68 1H5M T 6 1H5M T 6 -0.924 5.684 3.063 69 2H5M T 6 2H5M T 6 0.323 4.661 2.316 70 3H5M T 6 3H5M T 6 0.296 6.403 1.991 71 H6 T 6 H6 T 6 -1.052 7.232 0.248 72 1H5* G 7 1H5' G 7 -6.166 8.257 -4.016 73 2H5* G 7 2H5' G 7 -7.421 9.506 -3.944 74 H4* G 7 H4' G 7 -8.396 7.402 -3.261 75 H3* G 7 H3' G 7 -8.441 9.717 -1.577 76 1H2* G 7 1H2' G 7 -8.763 8.104 0.545 77 2H2* G 7 2H2' G 7 -7.146 8.706 0.078 78 H1* G 7 H1' G 7 -8.487 6.091 -0.728 79 H8 G 7 H8 G 7 -5.096 7.435 0.670 80 H1 G 7 H1 G 7 -6.780 1.514 2.530 81 1H2 G 7 1H2 G 7 -8.841 1.039 1.687 82 2H2 G 7 2H2 G 7 -9.677 2.170 0.648 83 1H5* G 8 1H5' G 8 -11.990 6.166 -1.086 84 2H5* G 8 2H5' G 8 -13.363 7.074 -0.437 85 H4* G 8 H4' G 8 -13.199 4.831 0.551 86 H3* G 8 H3' G 8 -13.378 7.293 2.070 87 1H2* G 8 1H2' G 8 -12.538 5.793 4.217 88 2H2* G 8 2H2' G 8 -11.503 6.903 3.267 89 H1* G 8 H1' G 8 -11.880 3.898 2.883 90 H8 G 8 H8 G 8 -9.143 6.640 2.805 91 H1 G 8 H1 G 8 -7.605 1.286 6.007 92 1H2 G 8 1H2 G 8 -9.387 -0.094 6.053 93 2H2 G 8 2H2 G 8 -10.871 0.306 5.216 94 1H5* G 9 1H5' G3' 9 -15.093 3.081 4.010 95 2H5* G 9 2H5' G3' 9 -16.392 3.548 5.111 96 H4* G 9 H4' G3' 9 -14.866 1.793 6.043 97 H3* G 9 H3' G3' 9 -15.644 4.296 7.401 98 1H2* G 9 1H2' G3' 9 -13.688 3.500 9.212 99 2H2* G 9 2H2' G3' 9 -13.474 4.792 7.989 100 H1* G 9 H1' G3' 9 -12.817 1.832 7.671 101 H8 G 9 H8 G3' 9 -11.336 5.274 6.552 102 H1 G 9 H1 G3' 9 -7.240 1.469 9.714 103 1H2 G 9 1H2 G3' 9 -8.353 -0.344 10.498 104 2H2 G 9 2H2 G3' 9 -10.037 -0.622 10.107 105 H3T G 9 HO3' G3' 9 -16.535 2.210 7.757 106 1H5* C 1 1H5' C5' 1 -0.863 -3.875 13.933 107 2H5* C 1 2H5' C5' 1 -1.118 -2.436 14.936 108 H4* C 1 H4' C5' 1 -3.231 -3.597 14.432 109 H3* C 1 H3' C5' 1 -2.593 -2.941 11.519 110 1H2* C 1 H2' C5' 1 -5.026 -3.127 11.284 111 2HO* C 1 HO2' C5' 1 -6.300 -3.617 13.028 112 H1* C 1 H1' C5' 1 -5.477 -1.489 13.289 113 1H4 C 1 1H4 C5' 1 -5.074 3.099 9.043 114 2H4 C 1 2H4 C5' 1 -3.327 3.115 9.158 115 H5 C 1 H5 C5' 1 -2.064 1.387 10.384 116 H6 C 1 H6 C5' 1 -2.255 -0.527 11.805 117 H5T C 1 H5' C5' 1 -0.640 -2.551 12.142 118 1H5* C 2 1H5' C 2 -5.659 -5.868 11.515 119 2H5* C 2 2H5' C 2 -5.476 -6.951 10.132 120 H4* C 2 H4' C 2 -7.681 -5.889 10.195 121 H3* C 2 H3' C 2 -5.919 -4.988 7.881 122 1H2* C 2 H2' C 2 -7.973 -4.030 7.001 123 2HO* C 2 HO2' C 2 -9.292 -5.262 9.174 124 H1* C 2 H1' C 2 -8.643 -2.876 9.357 125 1H4 C 2 1H4 C 2 -5.515 1.729 6.295 126 2H4 C 2 2H4 C 2 -4.021 1.202 7.028 127 H5 C 2 H5 C 2 -3.815 -0.894 8.288 128 H6 C 2 H6 C 2 -5.024 -2.700 9.238 129 1H5* C 3 1H5' C 3 -9.591 -6.408 6.163 130 2H5* C 3 2H5' C 3 -9.276 -7.249 4.638 131 H4* C 3 H4' C 3 -10.847 -5.321 4.422 132 H3* C 3 H3' C 3 -8.196 -5.063 2.937 133 1H2* C 3 H2' C 3 -9.322 -3.167 1.860 134 2HO* C 3 HO2' C 3 -11.417 -2.670 2.309 135 H1* C 3 H1' C 3 -10.130 -2.122 4.174 136 1H4 C 3 1H4 C 3 -4.673 0.929 3.593 137 2H4 C 3 2H4 C 3 -3.837 -0.325 4.483 138 H5 C 3 H5 C 3 -4.967 -2.421 5.225 139 H6 C 3 H6 C 3 -6.973 -3.687 5.053 140 1H5* A 4 1H5' A 4 -11.295 -4.209 0.071 141 2H5* A 4 2H5' A 4 -10.849 -4.862 -1.514 142 H4* A 4 H4' A 4 -11.220 -2.339 -1.482 143 H3* A 4 H3' A 4 -8.435 -3.347 -2.205 144 1H2* A 4 H2' A 4 -8.066 -1.033 -2.880 145 2HO* A 4 HO2' A 4 -9.728 0.435 -2.886 146 H1* A 4 H1' A 4 -9.304 -0.017 -0.686 147 H8 A 4 H8 A 4 -7.317 -2.794 0.869 148 1H6 A 4 1H6 A 4 -2.767 1.367 1.151 149 2H6 A 4 2H6 A 4 -3.322 -0.207 1.687 150 H2 A 4 H2 A 4 -5.824 2.874 -1.753 151 1H5* A 5 1H5' A 5 -9.650 -0.454 -5.242 152 2H5* A 5 2H5' A 5 -9.264 -1.126 -6.825 153 H4* A 5 H4' A 5 -8.163 1.120 -6.421 154 H3* A 5 H3' A 5 -6.966 -1.340 -7.382 155 1H2* A 5 1H2' A 5 -4.632 -0.231 -6.834 156 2H2* A 5 2H2' A 5 -5.404 -1.522 -5.890 157 H1* A 5 H1' A 5 -5.344 1.463 -5.414 158 H8 A 5 H8 A 5 -5.890 -1.807 -3.533 159 1H6 A 5 1H6 A 5 -0.670 -0.257 -0.437 160 2H6 A 5 2H6 A 5 -1.880 -1.516 -0.641 161 H2 A 5 H2 A 5 -1.688 3.033 -3.239 162 1H5* A 6 1H5' A 6 -4.874 3.146 -8.417 163 2H5* A 6 2H5' A 6 -4.181 2.920 -10.011 164 H4* A 6 H4' A 6 -2.777 4.259 -8.494 165 H3* A 6 H3' A 6 -1.947 2.140 -10.235 166 1H2* A 6 1H2' A 6 0.246 1.703 -8.822 167 2H2* A 6 2H2' A 6 -1.241 0.764 -8.616 168 H1* A 6 H1' A 6 -0.347 3.211 -7.026 169 H8 A 6 H8 A 6 -2.039 -0.165 -6.445 170 1H6 A 6 1H6 A 6 2.017 -0.861 -1.823 171 2H6 A 6 2H6 A 6 0.678 -1.585 -2.691 172 H2 A 6 H2 A 6 2.746 3.120 -3.752 173 1H5* T 7 1H5' T 7 1.725 5.465 -8.656 174 2H5* T 7 2H5' T 7 2.760 5.438 -10.075 175 H4* T 7 H4' T 7 4.022 5.406 -7.928 176 H3* T 7 H3' T 7 4.466 3.800 -10.282 177 1H2* T 7 1H2' T 7 5.762 1.982 -8.803 178 2H2* T 7 2H2' T 7 4.026 1.828 -9.145 179 H1* T 7 H1' T 7 5.261 3.265 -6.749 180 H3 T 7 H3 T 7 5.358 -0.352 -3.970 181 1H5M T 7 1H5M T 7 2.338 -2.229 -7.444 182 2H5M T 7 2H5M T 7 1.428 -2.061 -5.931 183 3H5M T 7 3H5M T 7 1.119 -0.949 -7.278 184 H6 T 7 H6 T 7 2.573 0.914 -7.656 185 1H5* G 8 1H5' G 8 8.370 4.800 -7.198 186 2H5* G 8 2H5' G 8 9.686 4.885 -8.366 187 H4* G 8 H4' G 8 10.355 3.958 -6.188 188 H3* G 8 H3' G 8 11.000 2.923 -8.791 189 1H2* G 8 1H2' G 8 11.481 0.477 -7.683 190 2H2* G 8 2H2' G 8 9.935 0.898 -8.464 191 H1* G 8 H1' G 8 10.629 1.110 -5.502 192 H8 G 8 H8 G 8 7.717 -0.021 -7.819 193 H1 G 8 H1 G 8 8.960 -3.941 -2.902 194 1H2 G 8 1H2 G 8 10.728 -3.108 -1.709 195 2H2 G 8 2H2 G 8 11.531 -1.629 -2.189 196 1H5* A 9 1H5' A3' 9 14.048 1.714 -5.034 197 2H5* A 9 2H5' A3' 9 15.618 1.466 -5.805 198 H4* A 9 H4' A3' 9 15.064 -0.233 -4.065 199 H3* A 9 H3' A3' 9 15.971 -0.811 -6.812 200 1H2* A 9 1H2' A3' 9 15.354 -3.430 -6.052 201 2H2* A 9 2H2' A3' 9 14.412 -2.418 -7.186 202 H1* A 9 H1' A3' 9 13.994 -2.739 -4.188 203 H8 A 9 H8 A3' 9 11.855 -2.007 -7.337 204 1H6 A 9 1H6 A3' 9 8.527 -6.960 -5.683 205 2H6 A 9 2H6 A3' 9 8.657 -5.615 -6.797 206 H2 A 9 H2 A3' 9 11.963 -6.565 -2.832 207 H3T A 9 HO3' A3' 9 16.463 -2.011 -4.277 Start of MODEL 2 1 1H5* T 1 1H5' T5' 1 9.757 -15.364 -1.414 2 2H5* T 1 2H5' T5' 1 11.170 -15.893 -0.493 3 H4* T 1 H4' T5' 1 12.360 -13.859 -0.921 4 H3* T 1 H3' T5' 1 9.985 -13.970 0.674 5 1H2* T 1 1H2' T5' 1 9.421 -11.350 0.166 6 2H2* T 1 2H2' T5' 1 8.726 -12.666 -0.817 7 H1* T 1 H1' T5' 1 11.331 -11.174 -1.322 8 H3 T 1 H3 T5' 1 9.933 -8.056 -4.246 9 1H5M T 1 1H5M T5' 1 6.435 -10.798 -5.768 10 2H5M T 1 2H5M T5' 1 6.634 -12.285 -4.827 11 3H5M T 1 3H5M T5' 1 5.771 -10.900 -4.123 12 H6 T 1 H6 T5' 1 8.195 -12.355 -3.010 13 H5T T 1 H5' T5' 1 12.389 -15.665 -2.440 14 1H5* C 2 1H5' C 2 13.132 -10.129 1.492 15 2H5* C 2 2H5' C 2 12.841 -9.751 3.190 16 H4* C 2 H4' C 2 13.209 -7.747 1.772 17 H3* C 2 H3' C 2 11.180 -8.067 3.768 18 1H2* C 2 1H2' C 2 9.529 -6.347 2.485 19 2H2* C 2 2H2' C 2 9.462 -8.092 2.141 20 H1* C 2 H1' C 2 11.251 -6.062 0.732 21 1H4 C 2 1H4 C 2 6.688 -5.745 -3.724 22 2H4 C 2 2H4 C 2 6.141 -7.382 -3.418 23 H5 C 2 H5 C 2 7.173 -8.800 -1.649 24 H6 C 2 H6 C 2 8.919 -8.885 0.014 25 1H5* A 3 1H5' A 3 12.984 -3.583 2.510 26 2H5* A 3 2H5' A 3 12.793 -2.668 4.006 27 H4* A 3 H4' A 3 12.652 -1.281 1.993 28 H3* A 3 H3' A 3 10.885 -1.201 4.224 29 1H2* A 3 1H2' A 3 8.818 -0.288 2.724 30 2H2* A 3 2H2' A 3 9.060 -1.999 3.143 31 H1* A 3 H1' A 3 9.949 -0.563 0.600 32 H8 A 3 H8 A 3 8.441 -3.856 1.908 33 1H6 A 3 1H6 A 3 4.524 -3.286 -2.900 34 2H6 A 3 2H6 A 3 5.005 -4.329 -1.570 35 H2 A 3 H2 A 3 7.273 0.207 -2.905 36 1H5* T 4 1H5' T 4 10.978 2.728 1.133 37 2H5* T 4 2H5' T 4 10.569 4.113 2.139 38 H4* T 4 H4' T 4 9.561 4.108 -0.179 39 H3* T 4 H3' T 4 8.265 4.790 2.340 40 1H2* T 4 1H2' T 4 5.897 4.528 0.945 41 2H2* T 4 2H2' T 4 6.549 3.274 2.032 42 H1* T 4 H1' T 4 7.053 3.555 -0.964 43 H3 T 4 H3 T 4 3.516 0.849 -2.013 44 1H5M T 4 1H5M T 4 4.431 -0.979 2.542 45 2H5M T 4 2H5M T 4 4.830 -2.212 1.330 46 3H5M T 4 3H5M T 4 6.128 -1.362 2.186 47 H6 T 4 H6 T 4 6.728 0.870 1.559 48 1H5* T 5 1H5' T 5 6.447 6.887 -1.821 49 2H5* T 5 2H5' T 5 5.988 8.488 -1.243 50 H4* T 5 H4' T 5 4.296 7.534 -2.765 51 H3* T 5 H3' T 5 3.793 8.666 -0.138 52 1H2* T 5 1H2' T 5 1.390 7.390 -0.197 53 2H2* T 5 2H2' T 5 2.807 6.703 0.637 54 H1* T 5 H1' T 5 1.986 6.244 -2.264 55 H3 T 5 H3 T 5 -0.403 2.429 -1.538 56 1H5M T 5 1H5M T 5 2.237 2.453 2.706 57 2H5M T 5 2H5M T 5 2.633 1.007 1.759 58 3H5M T 5 3H5M T 5 3.793 2.347 1.859 59 H6 T 5 H6 T 5 3.369 4.409 0.665 60 1H5* T 6 1H5' T 6 0.475 9.056 -3.766 61 2H5* T 6 2H5' T 6 -0.368 10.584 -3.461 62 H4* T 6 H4' T 6 -1.865 8.781 -4.356 63 H3* T 6 H3' T 6 -2.408 10.448 -2.076 64 1H2* T 6 1H2' T 6 -4.293 8.500 -1.471 65 2H2* T 6 2H2' T 6 -2.740 8.752 -0.620 66 H1* T 6 H1' T 6 -3.446 6.899 -2.943 67 H3 T 6 H3 T 6 -3.398 2.986 -0.636 68 1H5M T 6 1H5M T 6 -1.072 5.713 2.822 69 2H5M T 6 2H5M T 6 0.084 4.564 2.114 70 3H5M T 6 3H5M T 6 0.191 6.285 1.712 71 H6 T 6 H6 T 6 -1.235 7.203 0.048 72 1H5* G 7 1H5' G 7 -6.423 8.449 -4.060 73 2H5* G 7 2H5' G 7 -7.640 9.731 -3.910 74 H4* G 7 H4' G 7 -8.627 7.651 -3.190 75 H3* G 7 H3' G 7 -8.506 9.938 -1.464 76 1H2* G 7 1H2' G 7 -8.780 8.275 0.637 77 2H2* G 7 2H2' G 7 -7.174 8.857 0.113 78 H1* G 7 H1' G 7 -8.610 6.291 -0.693 79 H8 G 7 H8 G 7 -5.139 7.524 0.599 80 H1 G 7 H1 G 7 -6.936 1.631 2.430 81 1H2 G 7 1H2 G 7 -9.038 1.228 1.649 82 2H2 G 7 2H2 G 7 -9.862 2.389 0.633 83 1H5* G 8 1H5' G 8 -12.119 6.461 -0.791 84 2H5* G 8 2H5' G 8 -13.405 7.392 -0.017 85 H4* G 8 H4' G 8 -13.217 5.133 0.920 86 H3* G 8 H3' G 8 -13.196 7.575 2.490 87 1H2* G 8 1H2' G 8 -12.258 5.990 4.542 88 2H2* G 8 2H2' G 8 -11.261 7.097 3.550 89 H1* G 8 H1' G 8 -11.755 4.117 3.120 90 H8 G 8 H8 G 8 -8.943 6.773 2.898 91 H1 G 8 H1 G 8 -7.433 1.386 6.059 92 1H2 G 8 1H2 G 8 -9.247 0.056 6.175 93 2H2 G 8 2H2 G 8 -10.746 0.487 5.380 94 1H5* G 9 1H5' G3' 9 -14.894 3.392 4.494 95 2H5* G 9 2H5' G3' 9 -16.096 3.879 5.692 96 H4* G 9 H4' G3' 9 -14.562 2.062 6.480 97 H3* G 9 H3' G3' 9 -15.121 4.583 7.937 98 1H2* G 9 1H2' G3' 9 -13.135 3.518 9.606 99 2H2* G 9 2H2' G3' 9 -12.926 4.900 8.487 100 H1* G 9 H1' G3' 9 -12.398 1.954 7.914 101 H8 G 9 H8 G3' 9 -10.905 5.377 6.778 102 H1 G 9 H1 G3' 9 -6.744 1.471 9.735 103 1H2 G 9 1H2 G3' 9 -7.847 -0.355 10.509 104 2H2 G 9 2H2 G3' 9 -9.552 -0.592 10.192 105 H3T G 9 HO3' G3' 9 -15.457 3.030 9.574 106 1H5* C 1 1H5' C5' 1 -0.226 -4.379 13.030 107 2H5* C 1 2H5' C5' 1 -0.351 -3.036 14.179 108 H4* C 1 H4' C5' 1 -2.535 -4.089 13.791 109 H3* C 1 H3' C5' 1 -2.129 -3.266 10.877 110 1H2* C 1 H2' C5' 1 -4.590 -3.380 10.859 111 2HO* C 1 HO2' C5' 1 -5.708 -3.937 12.685 112 H1* C 1 H1' C5' 1 -4.810 -1.853 12.981 113 1H4 C 1 1H4 C5' 1 -4.633 2.953 8.961 114 2H4 C 1 2H4 C5' 1 -2.883 2.942 8.955 115 H5 C 1 H5 C5' 1 -1.567 1.139 10.007 116 H6 C 1 H6 C5' 1 -1.692 -0.853 11.320 117 H5T C 1 H5' C5' 1 0.930 -2.552 12.335 118 1H5* C 2 1H5' C 2 -5.304 -6.122 11.004 119 2H5* C 2 2H5' C 2 -5.279 -7.128 9.551 120 H4* C 2 H4' C 2 -7.442 -6.026 9.884 121 H3* C 2 H3' C 2 -5.880 -5.051 7.457 122 1H2* C 2 H2' C 2 -7.986 -4.009 6.821 123 2HO* C 2 HO2' C 2 -9.112 -5.322 9.054 124 H1* C 2 H1' C 2 -8.388 -2.947 9.275 125 1H4 C 2 1H4 C 2 -5.385 1.753 6.263 126 2H4 C 2 2H4 C 2 -3.856 1.146 6.847 127 H5 C 2 H5 C 2 -3.608 -1.045 7.920 128 H6 C 2 H6 C 2 -4.791 -2.874 8.855 129 1H5* C 3 1H5' C 3 -9.708 -6.305 6.013 130 2H5* C 3 2H5' C 3 -9.546 -7.103 4.441 131 H4* C 3 H4' C 3 -11.073 -5.141 4.400 132 H3* C 3 H3' C 3 -8.526 -4.870 2.739 133 1H2* C 3 H2' C 3 -9.722 -2.931 1.789 134 2HO* C 3 HO2' C 3 -11.810 -3.967 1.955 135 H1* C 3 H1' C 3 -10.312 -1.946 4.193 136 1H4 C 3 1H4 C 3 -4.816 0.997 3.451 137 2H4 C 3 2H4 C 3 -3.972 -0.317 4.242 138 H5 C 3 H5 C 3 -5.100 -2.432 4.893 139 H6 C 3 H6 C 3 -7.151 -3.631 4.801 140 1H5* A 4 1H5' A 4 -11.703 -3.988 -0.034 141 2H5* A 4 2H5' A 4 -11.277 -4.668 -1.615 142 H4* A 4 H4' A 4 -11.605 -2.146 -1.604 143 H3* A 4 H3' A 4 -8.845 -3.217 -2.332 144 1H2* A 4 H2' A 4 -8.387 -0.933 -3.002 145 2HO* A 4 HO2' A 4 -11.158 -0.492 -2.626 146 H1* A 4 H1' A 4 -9.636 0.149 -0.836 147 H8 A 4 H8 A 4 -7.717 -2.672 0.740 148 1H6 A 4 1H6 A 4 -3.053 1.367 0.987 149 2H6 A 4 2H6 A 4 -3.659 -0.179 1.549 150 H2 A 4 H2 A 4 -6.068 2.931 -1.929 151 1H5* A 5 1H5' A 5 -9.881 -0.332 -5.423 152 2H5* A 5 2H5' A 5 -9.507 -1.065 -6.983 153 H4* A 5 H4' A 5 -8.285 1.106 -6.628 154 H3* A 5 H3' A 5 -7.168 -1.462 -7.424 155 1H2* A 5 1H2' A 5 -4.803 -0.375 -6.869 156 2H2* A 5 2H2' A 5 -5.632 -1.611 -5.903 157 H1* A 5 H1' A 5 -5.501 1.384 -5.536 158 H8 A 5 H8 A 5 -6.197 -1.790 -3.538 159 1H6 A 5 1H6 A 5 -0.910 -0.323 -0.509 160 2H6 A 5 2H6 A 5 -2.153 -1.555 -0.676 161 H2 A 5 H2 A 5 -1.852 2.931 -3.374 162 1H5* A 6 1H5' A 6 -4.934 2.865 -8.630 163 2H5* A 6 2H5' A 6 -4.189 2.562 -10.189 164 H4* A 6 H4' A 6 -2.832 3.953 -8.670 165 H3* A 6 H3' A 6 -1.954 1.776 -10.310 166 1H2* A 6 1H2' A 6 0.188 1.375 -8.811 167 2H2* A 6 2H2' A 6 -1.311 0.449 -8.617 168 H1* A 6 H1' A 6 -0.459 2.950 -7.089 169 H8 A 6 H8 A 6 -2.211 -0.377 -6.433 170 1H6 A 6 1H6 A 6 1.829 -1.014 -1.778 171 2H6 A 6 2H6 A 6 0.486 -1.751 -2.629 172 H2 A 6 H2 A 6 2.595 2.914 -3.788 173 1H5* T 7 1H5' T 7 1.646 5.178 -8.717 174 2H5* T 7 2H5' T 7 2.712 5.137 -10.112 175 H4* T 7 H4' T 7 3.912 5.206 -7.924 176 H3* T 7 H3' T 7 4.496 3.581 -10.228 177 1H2* T 7 1H2' T 7 5.782 1.812 -8.685 178 2H2* T 7 2H2' T 7 4.062 1.609 -9.080 179 H1* T 7 H1' T 7 5.186 3.105 -6.663 180 H3 T 7 H3 T 7 5.275 -0.508 -3.870 181 1H5M T 7 1H5M T 7 1.069 -1.124 -7.226 182 2H5M T 7 2H5M T 7 2.276 -2.423 -7.324 183 3H5M T 7 3H5M T 7 1.335 -2.195 -5.837 184 H6 T 7 H6 T 7 2.541 0.732 -7.603 185 1H5* G 8 1H5' G 8 8.239 4.775 -7.007 186 2H5* G 8 2H5' G 8 9.585 4.925 -8.133 187 H4* G 8 H4' G 8 10.231 4.051 -5.914 188 H3* G 8 H3' G 8 11.054 3.065 -8.475 189 1H2* G 8 1H2' G 8 11.583 0.634 -7.391 190 2H2* G 8 2H2' G 8 10.045 1.000 -8.216 191 H1* G 8 H1' G 8 10.638 1.211 -5.230 192 H8 G 8 H8 G 8 7.860 -0.033 -7.642 193 H1 G 8 H1 G 8 9.138 -3.929 -2.712 194 1H2 G 8 1H2 G 8 10.896 -3.070 -1.521 195 2H2 G 8 2H2 G 8 11.637 -1.547 -1.963 196 1H5* A 9 1H5' A3' 9 14.006 1.904 -4.563 197 2H5* A 9 2H5' A3' 9 15.603 1.739 -5.295 198 H4* A 9 H4' A3' 9 15.066 -0.030 -3.608 199 H3* A 9 H3' A3' 9 16.099 -0.489 -6.330 200 1H2* A 9 1H2' A3' 9 15.546 -3.151 -5.701 201 2H2* A 9 2H2' A3' 9 14.598 -2.127 -6.820 202 H1* A 9 H1' A3' 9 14.114 -2.579 -3.848 203 H8 A 9 H8 A3' 9 12.059 -1.832 -7.050 204 1H6 A 9 1H6 A3' 9 8.780 -6.873 -5.602 205 2H6 A 9 2H6 A3' 9 8.940 -5.517 -6.697 206 H2 A 9 H2 A3' 9 12.116 -6.475 -2.630 207 H3T A 9 HO3' A3' 9 16.529 -1.788 -3.833 Start of MODEL 3 1 1H5* T 1 1H5' T5' 1 9.282 -15.741 -1.598 2 2H5* T 1 2H5' T5' 1 9.202 -15.762 0.174 3 H4* T 1 H4' T5' 1 11.019 -14.306 -0.619 4 H3* T 1 H3' T5' 1 9.052 -13.551 1.280 5 1H2* T 1 1H2' T5' 1 9.170 -10.946 0.535 6 2H2* T 1 2H2' T5' 1 7.963 -12.052 -0.174 7 H1* T 1 H1' T5' 1 10.749 -11.425 -1.266 8 H3 T 1 H3 T5' 1 9.310 -8.126 -4.041 9 1H5M T 1 1H5M T5' 1 5.829 -11.529 -5.191 10 2H5M T 1 2H5M T5' 1 5.252 -11.677 -3.516 11 3H5M T 1 3H5M T5' 1 5.067 -10.144 -4.381 12 H6 T 1 H6 T5' 1 7.333 -12.226 -2.499 13 H5T T 1 H5' T5' 1 7.145 -15.516 -0.772 14 1H5* C 2 1H5' C 2 12.837 -10.148 1.240 15 2H5* C 2 2H5' C 2 12.833 -9.694 2.944 16 H4* C 2 H4' C 2 13.052 -7.764 1.457 17 H3* C 2 H3' C 2 11.223 -7.968 3.673 18 1H2* C 2 1H2' C 2 9.610 -6.095 2.547 19 2H2* C 2 2H2' C 2 9.340 -7.835 2.261 20 H1* C 2 H1' C 2 11.111 -5.995 0.604 21 1H4 C 2 1H4 C 2 6.325 -5.533 -3.596 22 2H4 C 2 2H4 C 2 5.646 -7.081 -3.132 23 H5 C 2 H5 C 2 6.634 -8.460 -1.312 24 H6 C 2 H6 C 2 8.443 -8.594 0.261 25 1H5* A 3 1H5' A 3 13.124 -3.590 2.173 26 2H5* A 3 2H5' A 3 13.097 -2.638 3.657 27 H4* A 3 H4' A 3 12.816 -1.278 1.676 28 H3* A 3 H3' A 3 11.180 -1.167 4.015 29 1H2* A 3 1H2' A 3 9.069 -0.177 2.641 30 2H2* A 3 2H2' A 3 9.278 -1.897 3.037 31 H1* A 3 H1' A 3 10.073 -0.476 0.457 32 H8 A 3 H8 A 3 8.433 -3.667 1.853 33 1H6 A 3 1H6 A 3 4.408 -2.900 -2.842 34 2H6 A 3 2H6 A 3 4.841 -3.945 -1.497 35 H2 A 3 H2 A 3 7.392 0.382 -3.004 36 1H5* T 4 1H5' T 4 11.200 2.793 0.922 37 2H5* T 4 2H5' T 4 10.856 4.172 1.960 38 H4* T 4 H4' T 4 9.710 4.200 -0.287 39 H3* T 4 H3' T 4 8.558 4.818 2.324 40 1H2* T 4 1H2' T 4 6.119 4.622 1.020 41 2H2* T 4 2H2' T 4 6.806 3.350 2.062 42 H1* T 4 H1' T 4 7.169 3.659 -0.949 43 H3 T 4 H3 T 4 3.570 0.989 -1.839 44 1H5M T 4 1H5M T 4 4.647 -0.741 2.748 45 2H5M T 4 2H5M T 4 4.882 -2.025 1.544 46 3H5M T 4 3H5M T 4 6.287 -1.234 2.279 47 H6 T 4 H6 T 4 6.922 0.985 1.600 48 1H5* T 5 1H5' T 5 6.653 7.041 -1.671 49 2H5* T 5 2H5' T 5 6.190 8.634 -1.069 50 H4* T 5 H4' T 5 4.494 7.681 -2.585 51 H3* T 5 H3' T 5 3.996 8.778 0.058 52 1H2* T 5 1H2' T 5 1.598 7.479 -0.007 53 2H2* T 5 2H2' T 5 3.027 6.805 0.816 54 H1* T 5 H1' T 5 2.208 6.363 -2.090 55 H3 T 5 H3 T 5 -0.165 2.532 -1.416 56 1H5M T 5 1H5M T 5 2.425 2.656 2.889 57 2H5M T 5 2H5M T 5 2.734 1.149 2.008 58 3H5M T 5 3H5M T 5 3.967 2.424 2.039 59 H6 T 5 H6 T 5 3.568 4.521 0.851 60 1H5* T 6 1H5' T 6 0.629 9.158 -3.539 61 2H5* T 6 2H5' T 6 -0.252 10.653 -3.189 62 H4* T 6 H4' T 6 -1.697 8.822 -4.104 63 H3* T 6 H3' T 6 -2.258 10.425 -1.764 64 1H2* T 6 1H2' T 6 -4.144 8.429 -1.272 65 2H2* T 6 2H2' T 6 -2.625 8.688 -0.365 66 H1* T 6 H1' T 6 -3.225 6.869 -2.741 67 H3 T 6 H3 T 6 -3.208 2.980 -0.405 68 1H5M T 6 1H5M T 6 -0.866 5.651 3.043 69 2H5M T 6 2H5M T 6 0.331 4.576 2.294 70 3H5M T 6 3H5M T 6 0.367 6.313 1.948 71 H6 T 6 H6 T 6 -1.027 7.194 0.248 72 1H5* G 7 1H5' G 7 -6.180 8.436 -3.888 73 2H5* G 7 2H5' G 7 -7.425 9.692 -3.759 74 H4* G 7 H4' G 7 -8.398 7.552 -3.152 75 H3* G 7 H3' G 7 -8.471 9.813 -1.405 76 1H2* G 7 1H2' G 7 -8.769 8.140 0.673 77 2H2* G 7 2H2' G 7 -7.160 8.772 0.223 78 H1* G 7 H1' G 7 -8.479 6.164 -0.656 79 H8 G 7 H8 G 7 -5.098 7.504 0.764 80 H1 G 7 H1 G 7 -6.748 1.560 2.566 81 1H2 G 7 1H2 G 7 -8.808 1.083 1.750 82 2H2 G 7 2H2 G 7 -9.651 2.203 0.703 83 1H5* G 8 1H5' G 8 -11.978 6.191 -1.019 84 2H5* G 8 2H5' G 8 -13.365 7.063 -0.354 85 H4* G 8 H4' G 8 -13.172 4.783 0.564 86 H3* G 8 H3' G 8 -13.434 7.189 2.154 87 1H2* G 8 1H2' G 8 -12.585 5.633 4.268 88 2H2* G 8 2H2' G 8 -11.570 6.808 3.377 89 H1* G 8 H1' G 8 -11.853 3.808 2.887 90 H8 G 8 H8 G 8 -9.189 6.623 2.881 91 H1 G 8 H1 G 8 -7.539 1.281 6.045 92 1H2 G 8 1H2 G 8 -9.287 -0.141 6.077 93 2H2 G 8 2H2 G 8 -10.772 0.223 5.225 94 1H5* G 9 1H5' G3' 9 -15.056 2.886 3.979 95 2H5* G 9 2H5' G3' 9 -16.392 3.298 5.059 96 H4* G 9 H4' G3' 9 -14.851 1.566 5.997 97 H3* G 9 H3' G3' 9 -15.673 4.042 7.387 98 1H2* G 9 1H2' G3' 9 -13.752 3.173 9.216 99 2H2* G 9 2H2' G3' 9 -13.531 4.522 8.059 100 H1* G 9 H1' G3' 9 -12.821 1.586 7.636 101 H8 G 9 H8 G3' 9 -11.395 5.075 6.611 102 H1 G 9 H1 G3' 9 -7.236 1.261 9.686 103 1H2 G 9 1H2 G3' 9 -8.301 -0.629 10.352 104 2H2 G 9 2H2 G3' 9 -9.979 -0.928 9.951 105 H3T G 9 HO3' G3' 9 -16.582 1.957 7.678 106 1H5* C 1 1H5' C5' 1 -1.207 -2.567 15.044 107 2H5* C 1 2H5' C5' 1 -0.729 -3.848 13.914 108 H4* C 1 H4' C5' 1 -3.171 -3.764 14.269 109 H3* C 1 H3' C5' 1 -2.282 -2.976 11.458 110 1H2* C 1 H2' C5' 1 -4.652 -3.233 10.966 111 2HO* C 1 HO2' C5' 1 -6.090 -3.930 12.484 112 H1* C 1 H1' C5' 1 -5.435 -1.771 13.008 113 1H4 C 1 1H4 C5' 1 -5.056 3.023 8.992 114 2H4 C 1 2H4 C5' 1 -3.314 3.113 9.160 115 H5 C 1 H5 C5' 1 -2.015 1.389 10.377 116 H6 C 1 H6 C5' 1 -2.180 -0.586 11.724 117 H5T C 1 H5' C5' 1 -0.977 -1.079 13.371 118 1H5* C 2 1H5' C 2 -5.270 -6.145 11.175 119 2H5* C 2 2H5' C 2 -5.002 -7.093 9.711 120 H4* C 2 H4' C 2 -7.268 -6.123 9.856 121 H3* C 2 H3' C 2 -5.565 -5.049 7.572 122 1H2* C 2 H2' C 2 -7.701 -4.171 6.772 123 2HO* C 2 HO2' C 2 -9.597 -4.609 7.831 124 H1* C 2 H1' C 2 -8.357 -3.127 9.177 125 1H4 C 2 1H4 C 2 -5.516 1.751 6.285 126 2H4 C 2 2H4 C 2 -3.983 1.254 6.956 127 H5 C 2 H5 C 2 -3.650 -0.905 8.067 128 H6 C 2 H6 C 2 -4.759 -2.814 8.943 129 1H5* C 3 1H5' C 3 -9.234 -6.618 5.911 130 2H5* C 3 2H5' C 3 -8.942 -7.359 4.329 131 H4* C 3 H4' C 3 -10.635 -5.516 4.298 132 H3* C 3 H3' C 3 -8.092 -5.045 2.681 133 1H2* C 3 H2' C 3 -9.404 -3.165 1.755 134 2HO* C 3 HO2' C 3 -11.419 -4.354 1.881 135 H1* C 3 H1' C 3 -10.085 -2.263 4.162 136 1H4 C 3 1H4 C 3 -4.738 0.999 3.554 137 2H4 C 3 2H4 C 3 -3.848 -0.277 4.352 138 H5 C 3 H5 C 3 -4.870 -2.450 4.956 139 H6 C 3 H6 C 3 -6.836 -3.766 4.784 140 1H5* A 4 1H5' A 4 -11.289 -4.249 -0.100 141 2H5* A 4 2H5' A 4 -10.813 -4.852 -1.697 142 H4* A 4 H4' A 4 -11.264 -2.343 -1.601 143 H3* A 4 H3' A 4 -8.447 -3.246 -2.346 144 1H2* A 4 H2' A 4 -8.163 -0.904 -2.972 145 2HO* A 4 HO2' A 4 -10.479 -0.848 -3.729 146 H1* A 4 H1' A 4 -9.411 0.013 -0.733 147 H8 A 4 H8 A 4 -7.391 -2.772 0.757 148 1H6 A 4 1H6 A 4 -2.864 1.404 1.119 149 2H6 A 4 2H6 A 4 -3.441 -0.161 1.657 150 H2 A 4 H2 A 4 -5.890 2.921 -1.816 151 1H5* A 5 1H5' A 5 -9.586 -0.300 -5.351 152 2H5* A 5 2H5' A 5 -9.208 -1.001 -6.926 153 H4* A 5 H4' A 5 -8.036 1.198 -6.549 154 H3* A 5 H3' A 5 -6.880 -1.332 -7.393 155 1H2* A 5 1H2' A 5 -4.534 -0.233 -6.826 156 2H2* A 5 2H2' A 5 -5.346 -1.491 -5.872 157 H1* A 5 H1' A 5 -5.247 1.502 -5.459 158 H8 A 5 H8 A 5 -5.928 -1.702 -3.504 159 1H6 A 5 1H6 A 5 -0.689 -0.217 -0.389 160 2H6 A 5 2H6 A 5 -1.921 -1.458 -0.575 161 H2 A 5 H2 A 5 -1.617 3.045 -3.248 162 1H5* A 6 1H5' A 6 -4.744 3.053 -8.524 163 2H5* A 6 2H5' A 6 -4.030 2.806 -10.104 164 H4* A 6 H4' A 6 -2.661 4.198 -8.597 165 H3* A 6 H3' A 6 -1.788 2.068 -10.295 166 1H2* A 6 1H2' A 6 0.380 1.653 -8.852 167 2H2* A 6 2H2' A 6 -1.104 0.713 -8.638 168 H1* A 6 H1' A 6 -0.231 3.194 -7.087 169 H8 A 6 H8 A 6 -1.942 -0.160 -6.456 170 1H6 A 6 1H6 A 6 2.001 -0.733 -1.708 171 2H6 A 6 2H6 A 6 0.674 -1.478 -2.577 172 H2 A 6 H2 A 6 2.822 3.158 -3.774 173 1H5* T 7 1H5' T 7 1.793 5.493 -8.721 174 2H5* T 7 2H5' T 7 2.821 5.503 -10.146 175 H4* T 7 H4' T 7 4.090 5.552 -7.998 176 H3* T 7 H3' T 7 4.619 3.972 -10.340 177 1H2* T 7 1H2' T 7 5.976 2.200 -8.857 178 2H2* T 7 2H2' T 7 4.249 1.968 -9.219 179 H1* T 7 H1' T 7 5.406 3.425 -6.790 180 H3 T 7 H3 T 7 5.420 -0.168 -3.958 181 1H5M T 7 1H5M T 7 1.233 -0.764 -7.305 182 2H5M T 7 2H5M T 7 2.454 -2.031 -7.538 183 3H5M T 7 3H5M T 7 1.572 -1.918 -6.002 184 H6 T 7 H6 T 7 2.778 1.036 -7.763 185 1H5* G 8 1H5' G 8 8.588 4.821 -7.230 186 2H5* G 8 2H5' G 8 9.885 4.869 -8.422 187 H4* G 8 H4' G 8 10.568 3.823 -6.354 188 H3* G 8 H3' G 8 10.955 2.728 -8.998 189 1H2* G 8 1H2' G 8 11.344 0.260 -7.876 190 2H2* G 8 2H2' G 8 9.793 0.788 -8.579 191 H1* G 8 H1' G 8 10.664 0.995 -5.664 192 H8 G 8 H8 G 8 7.588 -0.057 -7.809 193 H1 G 8 H1 G 8 8.916 -3.860 -2.822 194 1H2 G 8 1H2 G 8 10.814 -3.099 -1.788 195 2H2 G 8 2H2 G 8 11.636 -1.657 -2.344 196 1H5* A 9 1H5' A3' 9 14.134 1.413 -5.388 197 2H5* A 9 2H5' A3' 9 15.650 1.083 -6.232 198 H4* A 9 H4' A3' 9 15.136 -0.552 -4.420 199 H3* A 9 H3' A3' 9 15.830 -1.253 -7.201 200 1H2* A 9 1H2' A3' 9 15.146 -3.813 -6.293 201 2H2* A 9 2H2' A3' 9 14.182 -2.807 -7.413 202 H1* A 9 H1' A3' 9 13.932 -2.997 -4.387 203 H8 A 9 H8 A3' 9 11.641 -2.238 -7.424 204 1H6 A 9 1H6 A3' 9 8.146 -6.921 -5.396 205 2H6 A 9 2H6 A3' 9 8.307 -5.645 -6.584 206 H2 A 9 H2 A3' 9 11.765 -6.646 -2.766 207 H3T A 9 HO3' A3' 9 17.198 -2.660 -6.034 Start of MODEL 4 1 1H5* T 1 1H5' T5' 1 10.679 -15.990 -1.229 2 2H5* T 1 2H5' T5' 1 10.905 -15.697 -2.964 3 H4* T 1 H4' T5' 1 12.278 -14.165 -1.608 4 H3* T 1 H3' T5' 1 10.055 -14.001 0.133 5 1H2* T 1 1H2' T5' 1 9.750 -11.340 -0.283 6 2H2* T 1 2H2' T5' 1 8.849 -12.528 -1.259 7 H1* T 1 H1' T5' 1 11.572 -11.301 -1.915 8 H3 T 1 H3 T5' 1 9.947 -7.961 -4.531 9 1H5M T 1 1H5M T5' 1 5.933 -11.019 -4.668 10 2H5M T 1 2H5M T5' 1 6.632 -10.797 -6.286 11 3H5M T 1 3H5M T5' 1 6.886 -12.319 -5.419 12 H6 T 1 H6 T5' 1 8.419 -12.410 -3.555 13 H5T T 1 H5' T5' 1 8.700 -15.940 -2.343 14 1H5* C 2 1H5' C 2 13.334 -10.169 0.892 15 2H5* C 2 2H5' C 2 13.090 -9.898 2.617 16 H4* C 2 H4' C 2 13.283 -7.819 1.323 17 H3* C 2 H3' C 2 11.282 -8.369 3.315 18 1H2* C 2 1H2' C 2 9.589 -6.579 2.159 19 2H2* C 2 2H2' C 2 9.546 -8.304 1.722 20 H1* C 2 H1' C 2 11.272 -6.160 0.408 21 1H4 C 2 1H4 C 2 6.705 -5.685 -4.016 22 2H4 C 2 2H4 C 2 6.178 -7.344 -3.802 23 H5 C 2 H5 C 2 7.240 -8.847 -2.106 24 H6 C 2 H6 C 2 8.969 -8.976 -0.439 25 1H5* A 3 1H5' A 3 13.036 -3.843 2.374 26 2H5* A 3 2H5' A 3 12.838 -2.979 3.898 27 H4* A 3 H4' A 3 12.748 -1.538 1.909 28 H3* A 3 H3' A 3 10.999 -1.443 4.144 29 1H2* A 3 1H2' A 3 8.934 -0.489 2.688 30 2H2* A 3 2H2' A 3 9.157 -2.214 3.063 31 H1* A 3 H1' A 3 10.047 -0.729 0.547 32 H8 A 3 H8 A 3 8.507 -4.030 1.794 33 1H6 A 3 1H6 A 3 4.532 -3.287 -2.944 34 2H6 A 3 2H6 A 3 5.005 -4.363 -1.637 35 H2 A 3 H2 A 3 7.355 0.147 -2.924 36 1H5* T 4 1H5' T 4 11.101 2.564 1.076 37 2H5* T 4 2H5' T 4 10.722 3.920 2.134 38 H4* T 4 H4' T 4 9.661 3.998 -0.161 39 H3* T 4 H3' T 4 8.421 4.600 2.404 40 1H2* T 4 1H2' T 4 6.019 4.376 1.053 41 2H2* T 4 2H2' T 4 6.702 3.096 2.090 42 H1* T 4 H1' T 4 7.134 3.457 -0.911 43 H3 T 4 H3 T 4 3.565 0.772 -1.916 44 1H5M T 4 1H5M T 4 4.955 -2.351 1.337 45 2H5M T 4 2H5M T 4 6.290 -1.525 2.161 46 3H5M T 4 3H5M T 4 4.611 -1.144 2.591 47 H6 T 4 H6 T 4 6.867 0.728 1.569 48 1H5* T 5 1H5' T 5 6.552 6.827 -1.662 49 2H5* T 5 2H5' T 5 6.116 8.420 -1.038 50 H4* T 5 H4' T 5 4.410 7.532 -2.589 51 H3* T 5 H3' T 5 3.914 8.606 0.060 52 1H2* T 5 1H2' T 5 1.499 7.338 -0.023 53 2H2* T 5 2H2' T 5 2.916 6.629 0.789 54 H1* T 5 H1' T 5 2.093 6.239 -2.122 55 H3 T 5 H3 T 5 -0.337 2.438 -1.433 56 1H5M T 5 1H5M T 5 3.903 2.233 1.895 57 2H5M T 5 2H5M T 5 2.372 2.379 2.781 58 3H5M T 5 3H5M T 5 2.703 0.928 1.814 59 H6 T 5 H6 T 5 3.483 4.339 0.761 60 1H5* T 6 1H5' T 6 0.634 9.094 -3.584 61 2H5* T 6 2H5' T 6 -0.263 10.581 -3.236 62 H4* T 6 H4' T 6 -1.649 8.718 -4.243 63 H3* T 6 H3' T 6 -2.359 10.385 -2.012 64 1H2* T 6 1H2' T 6 -4.210 8.388 -1.482 65 2H2* T 6 2H2' T 6 -2.709 8.687 -0.555 66 H1* T 6 H1' T 6 -3.245 6.793 -2.893 67 H3 T 6 H3 T 6 -3.261 2.955 -0.461 68 1H5M T 6 1H5M T 6 -1.018 5.511 3.021 69 2H5M T 6 2H5M T 6 0.326 4.740 2.150 70 3H5M T 6 3H5M T 6 0.064 6.488 2.010 71 H6 T 6 H6 T 6 -1.144 7.208 0.153 72 1H5* G 7 1H5' G 7 -6.236 8.218 -4.136 73 2H5* G 7 2H5' G 7 -7.474 9.486 -4.087 74 H4* G 7 H4' G 7 -8.471 7.406 -3.355 75 H3* G 7 H3' G 7 -8.499 9.753 -1.717 76 1H2* G 7 1H2' G 7 -8.849 8.161 0.433 77 2H2* G 7 2H2' G 7 -7.230 8.760 -0.027 78 H1* G 7 H1' G 7 -8.563 6.129 -0.805 79 H8 G 7 H8 G 7 -5.176 7.503 0.568 80 H1 G 7 H1 G 7 -6.831 1.617 2.550 81 1H2 G 7 1H2 G 7 -8.904 1.130 1.767 82 2H2 G 7 2H2 G 7 -9.752 2.229 0.702 83 1H5* G 8 1H5' G 8 -12.064 6.231 -1.143 84 2H5* G 8 2H5' G 8 -13.420 7.156 -0.487 85 H4* G 8 H4' G 8 -13.259 4.931 0.540 86 H3* G 8 H3' G 8 -13.389 7.421 2.012 87 1H2* G 8 1H2' G 8 -12.529 5.961 4.177 88 2H2* G 8 2H2' G 8 -11.501 7.040 3.183 89 H1* G 8 H1' G 8 -11.925 4.033 2.879 90 H8 G 8 H8 G 8 -9.152 6.736 2.731 91 H1 G 8 H1 G 8 -7.672 1.423 6.035 92 1H2 G 8 1H2 G 8 -9.499 0.102 6.171 93 2H2 G 8 2H2 G 8 -10.982 0.513 5.337 94 1H5* G 9 1H5' G3' 9 -15.110 3.277 4.141 95 2H5* G 9 2H5' G3' 9 -16.392 3.828 5.227 96 H4* G 9 H4' G3' 9 -14.905 2.109 6.256 97 H3* G 9 H3' G3' 9 -15.550 4.732 7.457 98 1H2* G 9 1H2' G3' 9 -13.605 3.918 9.289 99 2H2* G 9 2H2' G3' 9 -13.366 5.154 8.015 100 H1* G 9 H1' G3' 9 -12.821 2.163 7.813 101 H8 G 9 H8 G3' 9 -11.263 5.503 6.503 102 H1 G 9 H1 G3' 9 -7.208 1.674 9.694 103 1H2 G 9 1H2 G3' 9 -8.352 -0.139 10.473 104 2H2 G 9 2H2 G3' 9 -10.052 -0.363 10.116 105 H3T G 9 HO3' G3' 9 -15.900 3.334 9.226 106 1H5* C 1 1H5' C5' 1 -0.954 -3.038 13.914 107 2H5* C 1 2H5' C5' 1 -1.539 -2.016 15.251 108 H4* C 1 H4' C5' 1 -3.814 -3.362 14.703 109 H3* C 1 H3' C5' 1 -2.438 -2.953 12.004 110 1H2* C 1 H2' C5' 1 -4.675 -2.839 11.165 111 2HO* C 1 HO2' C5' 1 -6.454 -3.260 12.442 112 H1* C 1 H1' C5' 1 -5.587 -1.259 13.146 113 1H4 C 1 1H4 C5' 1 -5.003 3.352 9.023 114 2H4 C 1 2H4 C5' 1 -3.267 3.428 9.242 115 H5 C 1 H5 C5' 1 -2.029 1.735 10.562 116 H6 C 1 H6 C5' 1 -2.249 -0.181 11.944 117 H5T C 1 H5' C5' 1 -2.320 -3.933 16.214 118 1H5* C 2 1H5' C 2 -5.887 -5.841 11.666 119 2H5* C 2 2H5' C 2 -5.612 -6.886 10.271 120 H4* C 2 H4' C 2 -7.783 -5.775 10.232 121 H3* C 2 H3' C 2 -5.905 -4.886 8.006 122 1H2* C 2 H2' C 2 -7.938 -3.965 7.025 123 2HO* C 2 HO2' C 2 -9.331 -5.192 9.154 124 H1* C 2 H1' C 2 -8.707 -2.794 9.346 125 1H4 C 2 1H4 C 2 -5.613 1.877 6.388 126 2H4 C 2 2H4 C 2 -4.107 1.333 7.085 127 H5 C 2 H5 C 2 -3.887 -0.794 8.310 128 H6 C 2 H6 C 2 -5.097 -2.659 9.164 129 1H5* C 3 1H5' C 3 -9.510 -6.425 6.192 130 2H5* C 3 2H5' C 3 -9.143 -7.219 4.654 131 H4* C 3 H4' C 3 -10.807 -5.373 4.470 132 H3* C 3 H3' C 3 -8.178 -4.932 2.989 133 1H2* C 3 H2' C 3 -9.468 -3.117 1.920 134 2HO* C 3 HO2' C 3 -11.584 -2.770 2.475 135 H1* C 3 H1' C 3 -10.268 -2.132 4.245 136 1H4 C 3 1H4 C 3 -4.867 1.080 3.563 137 2H4 C 3 2H4 C 3 -4.002 -0.166 4.434 138 H5 C 3 H5 C 3 -5.062 -2.277 5.175 139 H6 C 3 H6 C 3 -7.039 -3.589 5.042 140 1H5* A 4 1H5' A 4 -11.274 -4.295 0.152 141 2H5* A 4 2H5' A 4 -10.813 -4.928 -1.437 142 H4* A 4 H4' A 4 -11.328 -2.429 -1.406 143 H3* A 4 H3' A 4 -8.506 -3.290 -2.161 144 1H2* A 4 H2' A 4 -8.232 -0.968 -2.831 145 2HO* A 4 HO2' A 4 -11.016 -0.734 -2.386 146 H1* A 4 H1' A 4 -9.481 -0.012 -0.619 147 H8 A 4 H8 A 4 -7.459 -2.760 0.938 148 1H6 A 4 1H6 A 4 -2.876 1.361 1.119 149 2H6 A 4 2H6 A 4 -3.447 -0.200 1.678 150 H2 A 4 H2 A 4 -5.951 2.854 -1.788 151 1H5* A 5 1H5' A 5 -9.734 -0.471 -5.202 152 2H5* A 5 2H5' A 5 -9.387 -1.183 -6.780 153 H4* A 5 H4' A 5 -8.228 1.044 -6.463 154 H3* A 5 H3' A 5 -7.072 -1.467 -7.327 155 1H2* A 5 1H2' A 5 -4.718 -0.402 -6.758 156 2H2* A 5 2H2' A 5 -5.543 -1.643 -5.796 157 H1* A 5 H1' A 5 -5.413 1.354 -5.415 158 H8 A 5 H8 A 5 -6.079 -1.848 -3.445 159 1H6 A 5 1H6 A 5 -0.791 -0.395 -0.418 160 2H6 A 5 2H6 A 5 -2.032 -1.628 -0.596 161 H2 A 5 H2 A 5 -1.752 2.890 -3.248 162 1H5* A 6 1H5' A 6 -4.876 2.926 -8.471 163 2H5* A 6 2H5' A 6 -4.143 2.644 -10.039 164 H4* A 6 H4' A 6 -2.783 4.032 -8.510 165 H3* A 6 H3' A 6 -1.904 1.905 -10.208 166 1H2* A 6 1H2' A 6 0.247 1.469 -8.740 167 2H2* A 6 2H2' A 6 -1.249 0.539 -8.552 168 H1* A 6 H1' A 6 -0.384 3.007 -6.973 169 H8 A 6 H8 A 6 -2.119 -0.341 -6.382 170 1H6 A 6 1H6 A 6 1.871 -1.017 -1.686 171 2H6 A 6 2H6 A 6 0.531 -1.741 -2.553 172 H2 A 6 H2 A 6 2.694 2.902 -3.694 173 1H5* T 7 1H5' T 7 1.688 5.295 -8.557 174 2H5* T 7 2H5' T 7 2.737 5.297 -9.963 175 H4* T 7 H4' T 7 3.965 5.333 -7.791 176 H3* T 7 H3' T 7 4.536 3.785 -10.141 177 1H2* T 7 1H2' T 7 5.834 1.965 -8.684 178 2H2* T 7 2H2' T 7 4.107 1.775 -9.053 179 H1* T 7 H1' T 7 5.283 3.184 -6.608 180 H3 T 7 H3 T 7 5.354 -0.485 -3.886 181 1H5M T 7 1H5M T 7 2.291 -2.211 -7.474 182 2H5M T 7 2H5M T 7 1.468 -2.190 -5.901 183 3H5M T 7 3H5M T 7 1.071 -0.970 -7.124 184 H6 T 7 H6 T 7 2.628 0.840 -7.593 185 1H5* G 8 1H5' G 8 8.343 4.856 -6.927 186 2H5* G 8 2H5' G 8 9.646 5.082 -8.094 187 H4* G 8 H4' G 8 10.404 4.099 -5.967 188 H3* G 8 H3' G 8 11.080 3.215 -8.608 189 1H2* G 8 1H2' G 8 11.660 0.736 -7.630 190 2H2* G 8 2H2' G 8 10.095 1.135 -8.380 191 H1* G 8 H1' G 8 10.807 1.223 -5.414 192 H8 G 8 H8 G 8 7.933 0.088 -7.783 193 H1 G 8 H1 G 8 9.165 -3.907 -2.929 194 1H2 G 8 1H2 G 8 10.948 -3.113 -1.738 195 2H2 G 8 2H2 G 8 11.728 -1.603 -2.158 196 1H5* A 9 1H5' A3' 9 14.207 1.911 -4.934 197 2H5* A 9 2H5' A3' 9 15.767 1.736 -5.740 198 H4* A 9 H4' A3' 9 15.287 -0.086 -4.115 199 H3* A 9 H3' A3' 9 16.100 -0.472 -6.921 200 1H2* A 9 1H2' A3' 9 15.491 -3.136 -6.354 201 2H2* A 9 2H2' A3' 9 14.503 -2.030 -7.356 202 H1* A 9 H1' A3' 9 14.234 -2.585 -4.373 203 H8 A 9 H8 A3' 9 12.019 -1.768 -7.456 204 1H6 A 9 1H6 A3' 9 8.732 -6.758 -5.863 205 2H6 A 9 2H6 A3' 9 8.882 -5.420 -6.982 206 H2 A 9 H2 A3' 9 12.138 -6.350 -2.972 207 H3T A 9 HO3' A3' 9 17.487 -1.937 -5.866 Start of MODEL 5 1 1H5* T 1 1H5' T5' 1 11.766 -16.070 -1.766 2 2H5* T 1 2H5' T5' 1 10.377 -15.556 -2.725 3 H4* T 1 H4' T5' 1 12.827 -13.939 -1.911 4 H3* T 1 H3' T5' 1 10.338 -14.327 -0.543 5 1H2* T 1 1H2' T5' 1 9.668 -11.700 -0.860 6 2H2* T 1 2H2' T5' 1 9.129 -12.952 -2.008 7 H1* T 1 H1' T5' 1 11.676 -11.292 -2.160 8 H3 T 1 H3 T5' 1 10.354 -7.998 -4.927 9 1H5M T 1 1H5M T5' 1 7.139 -10.746 -6.964 10 2H5M T 1 2H5M T5' 1 7.396 -12.317 -6.189 11 3H5M T 1 3H5M T5' 1 6.370 -11.098 -5.401 12 H6 T 1 H6 T5' 1 8.755 -12.464 -4.203 13 H5T T 1 H5' T5' 1 13.078 -15.570 -3.603 14 1H5* C 2 1H5' C 2 13.238 -10.495 0.872 15 2H5* C 2 2H5' C 2 12.797 -10.236 2.559 16 H4* C 2 H4' C 2 13.255 -8.140 1.264 17 H3* C 2 H3' C 2 11.144 -8.569 3.144 18 1H2* C 2 1H2' C 2 9.518 -6.818 1.866 19 2H2* C 2 2H2' C 2 9.506 -8.545 1.435 20 H1* C 2 H1' C 2 11.324 -6.414 0.224 21 1H4 C 2 1H4 C 2 6.944 -5.955 -4.413 22 2H4 C 2 2H4 C 2 6.455 -7.630 -4.240 23 H5 C 2 H5 C 2 7.461 -9.123 -2.519 24 H6 C 2 H6 C 2 9.126 -9.245 -0.773 25 1H5* A 3 1H5' A 3 13.037 -4.072 2.195 26 2H5* A 3 2H5' A 3 12.810 -3.224 3.725 27 H4* A 3 H4' A 3 12.811 -1.755 1.737 28 H3* A 3 H3' A 3 11.055 -1.630 3.955 29 1H2* A 3 1H2' A 3 9.005 -0.647 2.512 30 2H2* A 3 2H2' A 3 9.204 -2.378 2.861 31 H1* A 3 H1' A 3 10.119 -0.873 0.368 32 H8 A 3 H8 A 3 8.592 -4.202 1.550 33 1H6 A 3 1H6 A 3 4.563 -3.354 -3.130 34 2H6 A 3 2H6 A 3 5.059 -4.470 -1.866 35 H2 A 3 H2 A 3 7.374 0.082 -3.060 36 1H5* T 4 1H5' T 4 11.243 2.394 0.905 37 2H5* T 4 2H5' T 4 10.898 3.753 1.970 38 H4* T 4 H4' T 4 9.847 3.854 -0.339 39 H3* T 4 H3' T 4 8.652 4.559 2.209 40 1H2* T 4 1H2' T 4 6.218 4.347 0.942 41 2H2* T 4 2H2' T 4 6.905 3.054 1.962 42 H1* T 4 H1' T 4 7.276 3.398 -1.050 43 H3 T 4 H3 T 4 3.668 0.740 -2.019 44 1H5M T 4 1H5M T 4 4.784 -1.200 2.467 45 2H5M T 4 2H5M T 4 5.092 -2.403 1.198 46 3H5M T 4 3H5M T 4 6.450 -1.592 1.997 47 H6 T 4 H6 T 4 6.995 0.688 1.441 48 1H5* T 5 1H5' T 5 6.644 6.743 -1.851 49 2H5* T 5 2H5' T 5 6.239 8.337 -1.213 50 H4* T 5 H4' T 5 4.461 7.425 -2.656 51 H3* T 5 H3' T 5 4.089 8.513 0.018 52 1H2* T 5 1H2' T 5 1.653 7.268 0.016 53 2H2* T 5 2H2' T 5 3.090 6.560 0.791 54 H1* T 5 H1' T 5 2.174 6.142 -2.088 55 H3 T 5 H3 T 5 -0.282 2.395 -1.228 56 1H5M T 5 1H5M T 5 2.638 2.302 2.842 57 2H5M T 5 2H5M T 5 2.942 0.866 1.847 58 3H5M T 5 3H5M T 5 4.128 2.185 1.885 59 H6 T 5 H6 T 5 3.676 4.257 0.741 60 1H5* T 6 1H5' T 6 0.713 9.012 -3.509 61 2H5* T 6 2H5' T 6 -0.167 10.506 -3.154 62 H4* T 6 H4' T 6 -1.582 8.649 -4.111 63 H3* T 6 H3' T 6 -2.224 10.316 -1.844 64 1H2* T 6 1H2' T 6 -4.120 8.337 -1.343 65 2H2* T 6 2H2' T 6 -2.620 8.610 -0.404 66 H1* T 6 H1' T 6 -3.161 6.732 -2.743 67 H3 T 6 H3 T 6 -3.225 2.935 -0.253 68 1H5M T 6 1H5M T 6 0.439 4.590 2.260 69 2H5M T 6 2H5M T 6 0.345 6.343 2.017 70 3H5M T 6 3H5M T 6 -0.791 5.538 3.120 71 H6 T 6 H6 T 6 -0.993 7.143 0.257 72 1H5* G 7 1H5' G 7 -6.086 8.244 -4.031 73 2H5* G 7 2H5' G 7 -7.324 9.513 -3.994 74 H4* G 7 H4' G 7 -8.331 7.412 -3.316 75 H3* G 7 H3' G 7 -8.438 9.752 -1.682 76 1H2* G 7 1H2' G 7 -8.789 8.192 0.470 77 2H2* G 7 2H2' G 7 -7.167 8.784 0.018 78 H1* G 7 H1' G 7 -8.493 6.150 -0.759 79 H8 G 7 H8 G 7 -5.149 7.522 0.705 80 H1 G 7 H1 G 7 -6.913 1.659 2.669 81 1H2 G 7 1H2 G 7 -8.977 1.195 1.822 82 2H2 G 7 2H2 G 7 -9.766 2.291 0.710 83 1H5* G 8 1H5' G 8 -11.959 6.132 -1.308 84 2H5* G 8 2H5' G 8 -13.364 7.017 -0.706 85 H4* G 8 H4' G 8 -13.171 4.741 0.264 86 H3* G 8 H3' G 8 -13.583 7.186 1.750 87 1H2* G 8 1H2' G 8 -12.793 5.763 3.958 88 2H2* G 8 2H2' G 8 -11.761 6.922 3.063 89 H1* G 8 H1' G 8 -11.951 3.897 2.694 90 H8 G 8 H8 G 8 -9.359 6.773 2.716 91 H1 G 8 H1 G 8 -7.781 1.573 6.147 92 1H2 G 8 1H2 G 8 -9.538 0.149 6.176 93 2H2 G 8 2H2 G 8 -10.984 0.473 5.247 94 1H5* G 9 1H5' G3' 9 -15.158 2.868 3.643 95 2H5* G 9 2H5' G3' 9 -16.554 3.277 4.641 96 H4* G 9 H4' G3' 9 -15.008 1.610 5.691 97 H3* G 9 H3' G3' 9 -16.065 4.034 6.973 98 1H2* G 9 1H2' G3' 9 -14.174 3.469 8.923 99 2H2* G 9 2H2' G3' 9 -13.976 4.734 7.669 100 H1* G 9 H1' G3' 9 -13.078 1.825 7.504 101 H8 G 9 H8 G3' 9 -11.749 5.328 6.376 102 H1 G 9 H1 G3' 9 -7.621 1.848 9.853 103 1H2 G 9 1H2 G3' 9 -8.675 -0.004 10.636 104 2H2 G 9 2H2 G3' 9 -10.331 -0.368 10.195 105 H3T G 9 HO3' G3' 9 -15.391 1.439 7.920 106 1H5* C 1 1H5' C5' 1 -1.197 -3.249 14.294 107 2H5* C 1 2H5' C5' 1 -1.478 -1.784 15.250 108 H4* C 1 H4' C5' 1 -3.573 -2.991 14.758 109 H3* C 1 H3' C5' 1 -2.919 -2.390 11.836 110 1H2* C 1 H2' C5' 1 -5.354 -2.639 11.596 111 2HO* C 1 HO2' C5' 1 -6.620 -3.079 13.364 112 H1* C 1 H1' C5' 1 -5.832 -0.939 13.537 113 1H4 C 1 1H4 C5' 1 -5.495 3.499 9.140 114 2H4 C 1 2H4 C5' 1 -3.755 3.601 9.311 115 H5 C 1 H5 C5' 1 -2.458 1.969 10.642 116 H6 C 1 H6 C5' 1 -2.615 0.095 12.112 117 H5T C 1 H5' C5' 1 -0.976 -1.988 12.464 118 1H5* C 2 1H5' C 2 -5.902 -5.389 11.875 119 2H5* C 2 2H5' C 2 -5.673 -6.512 10.526 120 H4* C 2 H4' C 2 -7.907 -5.502 10.528 121 H3* C 2 H3' C 2 -6.128 -4.630 8.211 122 1H2* C 2 H2' C 2 -8.188 -3.739 7.281 123 2HO* C 2 HO2' C 2 -9.502 -4.939 9.474 124 H1* C 2 H1' C 2 -8.900 -2.521 9.586 125 1H4 C 2 1H4 C 2 -5.762 2.033 6.471 126 2H4 C 2 2H4 C 2 -4.277 1.549 7.252 127 H5 C 2 H5 C 2 -4.071 -0.512 8.571 128 H6 C 2 H6 C 2 -5.279 -2.307 9.542 129 1H5* C 3 1H5' C 3 -9.739 -6.173 6.474 130 2H5* C 3 2H5' C 3 -9.383 -7.043 4.974 131 H4* C 3 H4' C 3 -10.988 -5.143 4.696 132 H3* C 3 H3' C 3 -8.331 -4.893 3.223 133 1H2* C 3 H2' C 3 -9.478 -3.038 2.089 134 2HO* C 3 HO2' C 3 -11.584 -2.542 2.576 135 H1* C 3 H1' C 3 -10.294 -1.936 4.359 136 1H4 C 3 1H4 C 3 -4.831 1.102 3.795 137 2H4 C 3 2H4 C 3 -4.024 -0.106 4.771 138 H5 C 3 H5 C 3 -5.161 -2.191 5.527 139 H6 C 3 H6 C 3 -7.158 -3.470 5.338 140 1H5* A 4 1H5' A 4 -11.409 -4.135 0.316 141 2H5* A 4 2H5' A 4 -10.951 -4.826 -1.250 142 H4* A 4 H4' A 4 -11.332 -2.299 -1.280 143 H3* A 4 H3' A 4 -8.547 -3.322 -1.977 144 1H2* A 4 H2' A 4 -8.169 -1.022 -2.684 145 2HO* A 4 HO2' A 4 -9.819 0.451 -2.738 146 H1* A 4 H1' A 4 -9.403 0.034 -0.510 147 H8 A 4 H8 A 4 -7.464 -2.751 1.102 148 1H6 A 4 1H6 A 4 -2.868 1.356 1.378 149 2H6 A 4 2H6 A 4 -3.460 -0.194 1.944 150 H2 A 4 H2 A 4 -5.866 2.850 -1.595 151 1H5* A 5 1H5' A 5 -9.756 -0.492 -5.084 152 2H5* A 5 2H5' A 5 -9.366 -1.195 -6.653 153 H4* A 5 H4' A 5 -8.275 1.066 -6.263 154 H3* A 5 H3' A 5 -7.054 -1.417 -7.186 155 1H2* A 5 1H2' A 5 -4.742 -0.139 -6.705 156 2H2* A 5 2H2' A 5 -5.396 -1.512 -5.778 157 H1* A 5 H1' A 5 -5.458 1.442 -5.234 158 H8 A 5 H8 A 5 -6.017 -1.831 -3.344 159 1H6 A 5 1H6 A 5 -0.806 -0.294 -0.240 160 2H6 A 5 2H6 A 5 -2.031 -1.539 -0.438 161 H2 A 5 H2 A 5 -1.752 2.960 -3.117 162 1H5* A 6 1H5' A 6 -4.946 2.959 -8.323 163 2H5* A 6 2H5' A 6 -4.252 2.744 -9.921 164 H4* A 6 H4' A 6 -2.813 4.021 -8.417 165 H3* A 6 H3' A 6 -2.019 1.825 -10.085 166 1H2* A 6 1H2' A 6 0.122 1.346 -8.630 167 2H2* A 6 2H2' A 6 -1.405 0.477 -8.412 168 H1* A 6 H1' A 6 -0.443 2.951 -6.902 169 H8 A 6 H8 A 6 -2.200 -0.370 -6.202 170 1H6 A 6 1H6 A 6 1.897 -0.983 -1.600 171 2H6 A 6 2H6 A 6 0.514 -1.699 -2.404 172 H2 A 6 H2 A 6 2.681 2.906 -3.682 173 1H5* T 7 1H5' T 7 1.592 5.222 -8.558 174 2H5* T 7 2H5' T 7 2.639 5.206 -9.966 175 H4* T 7 H4' T 7 3.846 5.329 -7.765 176 H3* T 7 H3' T 7 4.531 3.827 -10.096 177 1H2* T 7 1H2' T 7 5.813 1.999 -8.643 178 2H2* T 7 2H2' T 7 4.095 1.787 -9.049 179 H1* T 7 H1' T 7 5.213 3.171 -6.560 180 H3 T 7 H3 T 7 5.224 -0.517 -3.862 181 1H5M T 7 1H5M T 7 2.164 -2.183 -7.493 182 2H5M T 7 2H5M T 7 1.343 -2.169 -5.919 183 3H5M T 7 3H5M T 7 0.961 -0.930 -7.127 184 H6 T 7 H6 T 7 2.587 0.842 -7.621 185 1H5* G 8 1H5' G 8 8.255 4.880 -6.727 186 2H5* G 8 2H5' G 8 9.578 5.142 -7.859 187 H4* G 8 H4' G 8 10.281 4.114 -5.727 188 H3* G 8 H3' G 8 11.078 3.350 -8.371 189 1H2* G 8 1H2' G 8 11.675 0.849 -7.482 190 2H2* G 8 2H2' G 8 10.119 1.243 -8.257 191 H1* G 8 H1' G 8 10.748 1.232 -5.270 192 H8 G 8 H8 G 8 7.948 0.152 -7.737 193 H1 G 8 H1 G 8 9.239 -4.083 -3.099 194 1H2 G 8 1H2 G 8 10.960 -3.286 -1.818 195 2H2 G 8 2H2 G 8 11.717 -1.745 -2.161 196 1H5* A 9 1H5' A3' 9 14.076 2.078 -4.576 197 2H5* A 9 2H5' A3' 9 15.689 2.017 -5.291 198 H4* A 9 H4' A3' 9 15.203 0.153 -3.681 199 H3* A 9 H3' A3' 9 16.319 -0.135 -6.391 200 1H2* A 9 1H2' A3' 9 15.857 -2.842 -5.911 201 2H2* A 9 2H2' A3' 9 14.890 -1.803 -7.000 202 H1* A 9 H1' A3' 9 14.363 -2.429 -4.067 203 H8 A 9 H8 A3' 9 12.355 -1.587 -7.276 204 1H6 A 9 1H6 A3' 9 9.113 -6.717 -6.104 205 2H6 A 9 2H6 A3' 9 9.266 -5.302 -7.122 206 H2 A 9 H2 A3' 9 12.420 -6.440 -3.085 207 H3T A 9 HO3' A3' 9 16.727 -1.494 -3.922 Start of MODEL 6 1 1H5* T 1 1H5' T5' 1 10.977 -15.466 -2.729 2 2H5* T 1 2H5' T5' 1 12.335 -15.602 -3.866 3 H4* T 1 H4' T5' 1 13.570 -13.890 -2.506 4 H3* T 1 H3' T5' 1 11.365 -14.137 -0.693 5 1H2* T 1 1H2' T5' 1 10.700 -11.520 -1.019 6 2H2* T 1 2H2' T5' 1 9.936 -12.803 -1.992 7 H1* T 1 H1' T5' 1 12.447 -11.219 -2.687 8 H3 T 1 H3 T5' 1 10.587 -7.993 -5.230 9 1H5M T 1 1H5M T5' 1 6.708 -10.577 -5.891 10 2H5M T 1 2H5M T5' 1 7.677 -11.795 -6.748 11 3H5M T 1 3H5M T5' 1 7.092 -12.114 -5.100 12 H6 T 1 H6 T5' 1 9.256 -12.485 -4.196 13 H5T T 1 H5' T5' 1 13.650 -16.094 -2.047 14 1H5* C 2 1H5' C 2 14.435 -10.208 0.019 15 2H5* C 2 2H5' C 2 14.327 -9.969 1.765 16 H4* C 2 H4' C 2 14.443 -7.846 0.492 17 H3* C 2 H3' C 2 12.634 -8.429 2.637 18 1H2* C 2 1H2' C 2 10.800 -6.683 1.650 19 2H2* C 2 2H2' C 2 10.761 -8.403 1.191 20 H1* C 2 H1' C 2 12.316 -6.198 -0.236 21 1H4 C 2 1H4 C 2 7.398 -5.883 -4.300 22 2H4 C 2 2H4 C 2 6.976 -7.570 -4.073 23 H5 C 2 H5 C 2 8.209 -9.024 -2.466 24 H6 C 2 H6 C 2 10.077 -9.095 -0.936 25 1H5* A 3 1H5' A 3 14.029 -3.736 1.591 26 2H5* A 3 2H5' A 3 13.892 -2.952 3.168 27 H4* A 3 H4' A 3 13.468 -1.433 1.318 28 H3* A 3 H3' A 3 11.841 -1.738 3.650 29 1H2* A 3 1H2' A 3 9.649 -0.782 2.329 30 2H2* A 3 2H2' A 3 9.993 -2.507 2.595 31 H1* A 3 H1' A 3 10.658 -0.823 0.140 32 H8 A 3 H8 A 3 9.414 -4.301 1.239 33 1H6 A 3 1H6 A 3 5.021 -3.416 -3.072 34 2H6 A 3 2H6 A 3 5.638 -4.546 -1.877 35 H2 A 3 H2 A 3 7.769 0.073 -3.150 36 1H5* T 4 1H5' T 4 11.500 2.439 1.019 37 2H5* T 4 2H5' T 4 11.043 3.702 2.154 38 H4* T 4 H4' T 4 9.929 3.797 -0.105 39 H3* T 4 H3' T 4 8.711 4.174 2.523 40 1H2* T 4 1H2' T 4 6.312 3.940 1.174 41 2H2* T 4 2H2' T 4 7.048 2.623 2.124 42 H1* T 4 H1' T 4 7.446 3.169 -0.849 43 H3 T 4 H3 T 4 3.860 0.531 -1.919 44 1H5M T 4 1H5M T 4 5.155 -1.813 2.270 45 2H5M T 4 2H5M T 4 5.538 -2.878 0.903 46 3H5M T 4 3H5M T 4 6.845 -2.075 1.789 47 H6 T 4 H6 T 4 7.367 0.208 1.360 48 1H5* T 5 1H5' T 5 6.804 6.546 -1.412 49 2H5* T 5 2H5' T 5 6.344 8.104 -0.729 50 H4* T 5 H4' T 5 4.659 7.227 -2.330 51 H3* T 5 H3' T 5 4.160 8.238 0.353 52 1H2* T 5 1H2' T 5 1.740 6.999 0.219 53 2H2* T 5 2H2' T 5 3.143 6.264 1.027 54 H1* T 5 H1' T 5 2.344 5.918 -1.901 55 H3 T 5 H3 T 5 -0.228 2.208 -1.120 56 1H5M T 5 1H5M T 5 3.134 0.458 1.682 57 2H5M T 5 2H5M T 5 4.250 1.820 1.893 58 3H5M T 5 3H5M T 5 2.752 1.744 2.844 59 H6 T 5 H6 T 5 3.788 3.927 0.861 60 1H5* T 6 1H5' T 6 0.927 8.830 -3.272 61 2H5* T 6 2H5' T 6 0.025 10.308 -2.919 62 H4* T 6 H4' T 6 -1.346 8.452 -3.941 63 H3* T 6 H3' T 6 -2.052 10.099 -1.677 64 1H2* T 6 1H2' T 6 -3.972 8.133 -1.253 65 2H2* T 6 2H2' T 6 -2.486 8.361 -0.275 66 H1* T 6 H1' T 6 -2.986 6.534 -2.664 67 H3 T 6 H3 T 6 -3.400 2.784 -0.143 68 1H5M T 6 1H5M T 6 0.383 5.942 2.159 69 2H5M T 6 2H5M T 6 -0.777 5.134 3.235 70 3H5M T 6 3H5M T 6 0.417 4.178 2.335 71 H6 T 6 H6 T 6 -0.888 6.825 0.385 72 1H5* G 7 1H5' G 7 -5.908 8.046 -3.937 73 2H5* G 7 2H5' G 7 -7.083 9.373 -3.957 74 H4* G 7 H4' G 7 -8.228 7.368 -3.259 75 H3* G 7 H3' G 7 -8.181 9.736 -1.656 76 1H2* G 7 1H2' G 7 -8.684 8.235 0.499 77 2H2* G 7 2H2' G 7 -7.010 8.692 0.080 78 H1* G 7 H1' G 7 -8.507 6.152 -0.685 79 H8 G 7 H8 G 7 -5.066 7.299 0.750 80 H1 G 7 H1 G 7 -7.211 1.603 2.826 81 1H2 G 7 1H2 G 7 -9.270 1.230 1.956 82 2H2 G 7 2H2 G 7 -10.011 2.360 0.846 83 1H5* G 8 1H5' G 8 -11.943 6.429 -1.337 84 2H5* G 8 2H5' G 8 -13.312 7.424 -0.835 85 H4* G 8 H4' G 8 -13.371 5.195 0.219 86 H3* G 8 H3' G 8 -13.589 7.699 1.627 87 1H2* G 8 1H2' G 8 -12.937 6.301 3.895 88 2H2* G 8 2H2' G 8 -11.793 7.316 2.960 89 H1* G 8 H1' G 8 -12.292 4.309 2.713 90 H8 G 8 H8 G 8 -9.459 6.951 2.733 91 H1 G 8 H1 G 8 -8.249 1.659 6.160 92 1H2 G 8 1H2 G 8 -10.066 0.342 6.169 93 2H2 G 8 2H2 G 8 -11.486 0.738 5.223 94 1H5* G 9 1H5' G3' 9 -15.609 3.650 3.691 95 2H5* G 9 2H5' G3' 9 -16.953 4.265 4.667 96 H4* G 9 H4' G3' 9 -15.621 2.518 5.841 97 H3* G 9 H3' G3' 9 -16.284 5.166 6.935 98 1H2* G 9 1H2' G3' 9 -14.427 4.490 8.886 99 2H2* G 9 2H2' G3' 9 -14.096 5.605 7.523 100 H1* G 9 H1' G3' 9 -13.641 2.588 7.579 101 H8 G 9 H8 G3' 9 -11.886 5.859 6.328 102 H1 G 9 H1 G3' 9 -8.149 1.889 9.725 103 1H2 G 9 1H2 G3' 9 -9.398 0.145 10.481 104 2H2 G 9 2H2 G3' 9 -11.075 -0.046 10.020 105 H3T G 9 HO3' G3' 9 -16.705 3.841 8.739 106 1H5* C 1 1H5' C5' 1 -2.875 -1.641 15.960 107 2H5* C 1 2H5' C5' 1 -2.390 -3.065 15.021 108 H4* C 1 H4' C5' 1 -4.836 -2.819 15.114 109 H3* C 1 H3' C5' 1 -3.662 -2.320 12.341 110 1H2* C 1 H2' C5' 1 -5.996 -2.491 11.662 111 2HO* C 1 HO2' C5' 1 -7.597 -2.978 13.092 112 H1* C 1 H1' C5' 1 -6.856 -0.817 13.494 113 1H4 C 1 1H4 C5' 1 -5.789 3.501 9.058 114 2H4 C 1 2H4 C5' 1 -4.068 3.507 9.383 115 H5 C 1 H5 C5' 1 -3.003 1.866 10.911 116 H6 C 1 H6 C5' 1 -3.423 0.058 12.421 117 H5T C 1 H5' C5' 1 -2.376 -0.360 14.189 118 1H5* C 2 1H5' C 2 -6.844 -5.393 12.092 119 2H5* C 2 2H5' C 2 -6.518 -6.465 10.727 120 H4* C 2 H4' C 2 -8.754 -5.372 10.654 121 H3* C 2 H3' C 2 -6.844 -4.678 8.389 122 1H2* C 2 H2' C 2 -8.840 -3.728 7.355 123 2HO* C 2 HO2' C 2 -10.839 -3.928 8.294 124 H1* C 2 H1' C 2 -9.597 -2.405 9.589 125 1H4 C 2 1H4 C 2 -6.268 1.981 6.447 126 2H4 C 2 2H4 C 2 -4.819 1.469 7.273 127 H5 C 2 H5 C 2 -4.713 -0.543 8.671 128 H6 C 2 H6 C 2 -5.986 -2.307 9.609 129 1H5* C 3 1H5' C 3 -10.536 -6.098 6.574 130 2H5* C 3 2H5' C 3 -10.169 -6.984 5.084 131 H4* C 3 H4' C 3 -11.664 -5.004 4.750 132 H3* C 3 H3' C 3 -8.944 -4.876 3.377 133 1H2* C 3 H2' C 3 -9.971 -2.977 2.198 134 2HO* C 3 HO2' C 3 -12.070 -2.382 2.638 135 H1* C 3 H1' C 3 -10.803 -1.839 4.455 136 1H4 C 3 1H4 C 3 -5.167 0.915 3.912 137 2H4 C 3 2H4 C 3 -4.421 -0.360 4.852 138 H5 C 3 H5 C 3 -5.671 -2.369 5.619 139 H6 C 3 H6 C 3 -7.740 -3.533 5.443 140 1H5* A 4 1H5' A 4 -11.866 -3.992 0.393 141 2H5* A 4 2H5' A 4 -11.411 -4.716 -1.157 142 H4* A 4 H4' A 4 -11.685 -2.189 -1.227 143 H3* A 4 H3' A 4 -8.919 -3.328 -1.817 144 1H2* A 4 H2' A 4 -8.398 -1.078 -2.539 145 2HO* A 4 HO2' A 4 -11.174 -0.581 -2.274 146 H1* A 4 H1' A 4 -9.694 0.093 -0.452 147 H8 A 4 H8 A 4 -7.911 -2.721 1.278 148 1H6 A 4 1H6 A 4 -3.117 1.151 1.551 149 2H6 A 4 2H6 A 4 -3.799 -0.356 2.134 150 H2 A 4 H2 A 4 -5.994 2.759 -1.469 151 1H5* A 5 1H5' A 5 -9.832 -0.528 -5.025 152 2H5* A 5 2H5' A 5 -9.349 -1.262 -6.552 153 H4* A 5 H4' A 5 -8.219 0.965 -6.067 154 H3* A 5 H3' A 5 -6.982 -1.588 -6.864 155 1H2* A 5 1H2' A 5 -4.745 -0.060 -6.375 156 2H2* A 5 2H2' A 5 -5.263 -1.555 -5.530 157 H1* A 5 H1' A 5 -5.495 1.340 -4.862 158 H8 A 5 H8 A 5 -6.171 -1.911 -2.989 159 1H6 A 5 1H6 A 5 -0.842 -0.583 0.031 160 2H6 A 5 2H6 A 5 -2.123 -1.778 -0.126 161 H2 A 5 H2 A 5 -1.692 2.685 -2.840 162 1H5* A 6 1H5' A 6 -5.007 2.704 -8.012 163 2H5* A 6 2H5' A 6 -4.279 2.572 -9.600 164 H4* A 6 H4' A 6 -2.907 3.857 -8.038 165 H3* A 6 H3' A 6 -2.040 1.728 -9.754 166 1H2* A 6 1H2' A 6 0.114 1.282 -8.305 167 2H2* A 6 2H2' A 6 -1.389 0.361 -8.100 168 H1* A 6 H1' A 6 -0.502 2.822 -6.540 169 H8 A 6 H8 A 6 -2.234 -0.512 -5.896 170 1H6 A 6 1H6 A 6 2.040 -1.319 -1.477 171 2H6 A 6 2H6 A 6 0.626 -2.005 -2.255 172 H2 A 6 H2 A 6 2.755 2.640 -3.445 173 1H5* T 7 1H5' T 7 1.505 5.164 -8.139 174 2H5* T 7 2H5' T 7 2.474 5.259 -9.600 175 H4* T 7 H4' T 7 3.838 5.315 -7.525 176 H3* T 7 H3' T 7 4.313 3.808 -9.918 177 1H2* T 7 1H2' T 7 5.747 2.007 -8.565 178 2H2* T 7 2H2' T 7 4.006 1.767 -8.835 179 H1* T 7 H1' T 7 5.298 3.162 -6.445 180 H3 T 7 H3 T 7 5.567 -0.546 -3.792 181 1H5M T 7 1H5M T 7 2.329 -2.331 -7.112 182 2H5M T 7 2H5M T 7 1.510 -2.183 -5.546 183 3H5M T 7 3H5M T 7 1.130 -1.046 -6.853 184 H6 T 7 H6 T 7 2.595 0.815 -7.295 185 1H5* G 8 1H5' G 8 8.327 4.856 -6.918 186 2H5* G 8 2H5' G 8 9.515 5.180 -8.180 187 H4* G 8 H4' G 8 10.511 4.134 -6.209 188 H3* G 8 H3' G 8 10.912 3.337 -8.937 189 1H2* G 8 1H2' G 8 11.650 0.851 -8.096 190 2H2* G 8 2H2' G 8 10.001 1.226 -8.659 191 H1* G 8 H1' G 8 11.033 1.259 -5.791 192 H8 G 8 H8 G 8 7.928 0.132 -7.842 193 H1 G 8 H1 G 8 9.821 -3.976 -3.298 194 1H2 G 8 1H2 G 8 11.649 -3.118 -2.226 195 2H2 G 8 2H2 G 8 12.328 -1.569 -2.677 196 1H5* A 9 1H5' A3' 9 14.437 2.068 -5.643 197 2H5* A 9 2H5' A3' 9 15.922 1.942 -6.589 198 H4* A 9 H4' A3' 9 15.616 0.101 -4.924 199 H3* A 9 H3' A3' 9 16.252 -0.250 -7.782 200 1H2* A 9 1H2' A3' 9 15.802 -2.939 -7.145 201 2H2* A 9 2H2' A3' 9 14.716 -1.895 -8.109 202 H1* A 9 H1' A3' 9 14.621 -2.430 -5.114 203 H8 A 9 H8 A3' 9 12.176 -1.629 -8.020 204 1H6 A 9 1H6 A3' 9 9.179 -6.769 -6.340 205 2H6 A 9 2H6 A3' 9 9.199 -5.390 -7.419 206 H2 A 9 H2 A3' 9 12.784 -6.331 -3.702 207 H3T A 9 HO3' A3' 9 17.789 -1.619 -6.835 Start of MODEL 7 1 1H5* T 1 1H5' T5' 1 10.977 -15.466 -2.729 2 2H5* T 1 2H5' T5' 1 12.335 -15.602 -3.866 3 H4* T 1 H4' T5' 1 13.570 -13.890 -2.506 4 H3* T 1 H3' T5' 1 11.365 -14.137 -0.693 5 1H2* T 1 1H2' T5' 1 10.700 -11.520 -1.019 6 2H2* T 1 2H2' T5' 1 9.936 -12.803 -1.992 7 H1* T 1 H1' T5' 1 12.447 -11.219 -2.687 8 H3 T 1 H3 T5' 1 10.587 -7.993 -5.230 9 1H5M T 1 1H5M T5' 1 6.708 -10.577 -5.891 10 2H5M T 1 2H5M T5' 1 7.677 -11.795 -6.748 11 3H5M T 1 3H5M T5' 1 7.092 -12.114 -5.100 12 H6 T 1 H6 T5' 1 9.256 -12.485 -4.196 13 H5T T 1 H5' T5' 1 13.650 -16.094 -2.047 14 1H5* C 2 1H5' C 2 14.435 -10.208 0.019 15 2H5* C 2 2H5' C 2 14.327 -9.969 1.765 16 H4* C 2 H4' C 2 14.443 -7.846 0.492 17 H3* C 2 H3' C 2 12.634 -8.429 2.637 18 1H2* C 2 1H2' C 2 10.800 -6.683 1.650 19 2H2* C 2 2H2' C 2 10.761 -8.403 1.191 20 H1* C 2 H1' C 2 12.316 -6.198 -0.236 21 1H4 C 2 1H4 C 2 7.398 -5.883 -4.300 22 2H4 C 2 2H4 C 2 6.976 -7.570 -4.073 23 H5 C 2 H5 C 2 8.209 -9.024 -2.466 24 H6 C 2 H6 C 2 10.077 -9.095 -0.936 25 1H5* A 3 1H5' A 3 14.029 -3.736 1.591 26 2H5* A 3 2H5' A 3 13.892 -2.952 3.168 27 H4* A 3 H4' A 3 13.468 -1.433 1.318 28 H3* A 3 H3' A 3 11.841 -1.738 3.650 29 1H2* A 3 1H2' A 3 9.649 -0.782 2.329 30 2H2* A 3 2H2' A 3 9.993 -2.507 2.595 31 H1* A 3 H1' A 3 10.658 -0.823 0.140 32 H8 A 3 H8 A 3 9.414 -4.301 1.239 33 1H6 A 3 1H6 A 3 5.021 -3.416 -3.072 34 2H6 A 3 2H6 A 3 5.638 -4.546 -1.877 35 H2 A 3 H2 A 3 7.769 0.073 -3.150 36 1H5* T 4 1H5' T 4 11.500 2.439 1.019 37 2H5* T 4 2H5' T 4 11.043 3.702 2.154 38 H4* T 4 H4' T 4 9.929 3.797 -0.105 39 H3* T 4 H3' T 4 8.711 4.174 2.523 40 1H2* T 4 1H2' T 4 6.312 3.940 1.174 41 2H2* T 4 2H2' T 4 7.048 2.623 2.124 42 H1* T 4 H1' T 4 7.446 3.169 -0.849 43 H3 T 4 H3 T 4 3.860 0.531 -1.919 44 1H5M T 4 1H5M T 4 5.155 -1.813 2.270 45 2H5M T 4 2H5M T 4 5.538 -2.878 0.903 46 3H5M T 4 3H5M T 4 6.845 -2.075 1.789 47 H6 T 4 H6 T 4 7.367 0.208 1.360 48 1H5* T 5 1H5' T 5 6.804 6.546 -1.412 49 2H5* T 5 2H5' T 5 6.344 8.104 -0.729 50 H4* T 5 H4' T 5 4.659 7.227 -2.330 51 H3* T 5 H3' T 5 4.160 8.238 0.353 52 1H2* T 5 1H2' T 5 1.740 6.999 0.219 53 2H2* T 5 2H2' T 5 3.143 6.264 1.027 54 H1* T 5 H1' T 5 2.344 5.918 -1.901 55 H3 T 5 H3 T 5 -0.228 2.208 -1.120 56 1H5M T 5 1H5M T 5 3.134 0.458 1.682 57 2H5M T 5 2H5M T 5 4.250 1.820 1.893 58 3H5M T 5 3H5M T 5 2.752 1.744 2.844 59 H6 T 5 H6 T 5 3.788 3.927 0.861 60 1H5* T 6 1H5' T 6 0.927 8.830 -3.272 61 2H5* T 6 2H5' T 6 0.025 10.308 -2.919 62 H4* T 6 H4' T 6 -1.346 8.452 -3.941 63 H3* T 6 H3' T 6 -2.052 10.099 -1.677 64 1H2* T 6 1H2' T 6 -3.972 8.133 -1.253 65 2H2* T 6 2H2' T 6 -2.486 8.361 -0.275 66 H1* T 6 H1' T 6 -2.986 6.534 -2.664 67 H3 T 6 H3 T 6 -3.400 2.784 -0.143 68 1H5M T 6 1H5M T 6 0.383 5.942 2.159 69 2H5M T 6 2H5M T 6 -0.777 5.134 3.235 70 3H5M T 6 3H5M T 6 0.417 4.178 2.335 71 H6 T 6 H6 T 6 -0.888 6.825 0.385 72 1H5* G 7 1H5' G 7 -5.908 8.046 -3.937 73 2H5* G 7 2H5' G 7 -7.083 9.373 -3.957 74 H4* G 7 H4' G 7 -8.228 7.368 -3.259 75 H3* G 7 H3' G 7 -8.181 9.736 -1.656 76 1H2* G 7 1H2' G 7 -8.684 8.235 0.499 77 2H2* G 7 2H2' G 7 -7.010 8.692 0.080 78 H1* G 7 H1' G 7 -8.507 6.152 -0.685 79 H8 G 7 H8 G 7 -5.066 7.299 0.750 80 H1 G 7 H1 G 7 -7.211 1.603 2.826 81 1H2 G 7 1H2 G 7 -9.270 1.230 1.956 82 2H2 G 7 2H2 G 7 -10.011 2.360 0.846 83 1H5* G 8 1H5' G 8 -11.943 6.429 -1.337 84 2H5* G 8 2H5' G 8 -13.312 7.424 -0.835 85 H4* G 8 H4' G 8 -13.371 5.195 0.219 86 H3* G 8 H3' G 8 -13.589 7.699 1.627 87 1H2* G 8 1H2' G 8 -12.937 6.301 3.895 88 2H2* G 8 2H2' G 8 -11.793 7.316 2.960 89 H1* G 8 H1' G 8 -12.292 4.309 2.713 90 H8 G 8 H8 G 8 -9.459 6.951 2.733 91 H1 G 8 H1 G 8 -8.249 1.659 6.160 92 1H2 G 8 1H2 G 8 -10.066 0.342 6.169 93 2H2 G 8 2H2 G 8 -11.486 0.738 5.223 94 1H5* G 9 1H5' G3' 9 -15.609 3.650 3.691 95 2H5* G 9 2H5' G3' 9 -16.953 4.265 4.667 96 H4* G 9 H4' G3' 9 -15.621 2.518 5.841 97 H3* G 9 H3' G3' 9 -16.284 5.166 6.935 98 1H2* G 9 1H2' G3' 9 -14.427 4.490 8.886 99 2H2* G 9 2H2' G3' 9 -14.096 5.605 7.523 100 H1* G 9 H1' G3' 9 -13.641 2.588 7.579 101 H8 G 9 H8 G3' 9 -11.886 5.859 6.328 102 H1 G 9 H1 G3' 9 -8.149 1.889 9.725 103 1H2 G 9 1H2 G3' 9 -9.398 0.145 10.481 104 2H2 G 9 2H2 G3' 9 -11.075 -0.046 10.020 105 H3T G 9 HO3' G3' 9 -16.705 3.841 8.739 106 1H5* C 1 1H5' C5' 1 -2.875 -1.641 15.960 107 2H5* C 1 2H5' C5' 1 -2.390 -3.065 15.021 108 H4* C 1 H4' C5' 1 -4.836 -2.819 15.114 109 H3* C 1 H3' C5' 1 -3.662 -2.320 12.341 110 1H2* C 1 H2' C5' 1 -5.996 -2.491 11.662 111 2HO* C 1 HO2' C5' 1 -7.597 -2.978 13.092 112 H1* C 1 H1' C5' 1 -6.856 -0.817 13.494 113 1H4 C 1 1H4 C5' 1 -5.789 3.501 9.058 114 2H4 C 1 2H4 C5' 1 -4.068 3.507 9.383 115 H5 C 1 H5 C5' 1 -3.003 1.866 10.911 116 H6 C 1 H6 C5' 1 -3.423 0.058 12.421 117 H5T C 1 H5' C5' 1 -2.376 -0.360 14.189 118 1H5* C 2 1H5' C 2 -6.844 -5.393 12.092 119 2H5* C 2 2H5' C 2 -6.518 -6.465 10.727 120 H4* C 2 H4' C 2 -8.754 -5.372 10.654 121 H3* C 2 H3' C 2 -6.844 -4.678 8.389 122 1H2* C 2 H2' C 2 -8.840 -3.728 7.355 123 2HO* C 2 HO2' C 2 -10.839 -3.928 8.294 124 H1* C 2 H1' C 2 -9.597 -2.405 9.589 125 1H4 C 2 1H4 C 2 -6.268 1.981 6.447 126 2H4 C 2 2H4 C 2 -4.819 1.469 7.273 127 H5 C 2 H5 C 2 -4.713 -0.543 8.671 128 H6 C 2 H6 C 2 -5.986 -2.307 9.609 129 1H5* C 3 1H5' C 3 -10.536 -6.098 6.574 130 2H5* C 3 2H5' C 3 -10.169 -6.984 5.084 131 H4* C 3 H4' C 3 -11.664 -5.004 4.750 132 H3* C 3 H3' C 3 -8.944 -4.876 3.377 133 1H2* C 3 H2' C 3 -9.971 -2.977 2.198 134 2HO* C 3 HO2' C 3 -12.070 -2.382 2.638 135 H1* C 3 H1' C 3 -10.803 -1.839 4.455 136 1H4 C 3 1H4 C 3 -5.167 0.915 3.912 137 2H4 C 3 2H4 C 3 -4.421 -0.360 4.852 138 H5 C 3 H5 C 3 -5.671 -2.369 5.619 139 H6 C 3 H6 C 3 -7.740 -3.533 5.443 140 1H5* A 4 1H5' A 4 -11.866 -3.992 0.393 141 2H5* A 4 2H5' A 4 -11.411 -4.716 -1.157 142 H4* A 4 H4' A 4 -11.685 -2.189 -1.227 143 H3* A 4 H3' A 4 -8.919 -3.328 -1.817 144 1H2* A 4 H2' A 4 -8.398 -1.078 -2.539 145 2HO* A 4 HO2' A 4 -11.174 -0.581 -2.274 146 H1* A 4 H1' A 4 -9.694 0.093 -0.452 147 H8 A 4 H8 A 4 -7.911 -2.721 1.278 148 1H6 A 4 1H6 A 4 -3.117 1.151 1.551 149 2H6 A 4 2H6 A 4 -3.799 -0.356 2.134 150 H2 A 4 H2 A 4 -5.994 2.759 -1.469 151 1H5* A 5 1H5' A 5 -9.832 -0.528 -5.025 152 2H5* A 5 2H5' A 5 -9.349 -1.262 -6.552 153 H4* A 5 H4' A 5 -8.219 0.965 -6.067 154 H3* A 5 H3' A 5 -6.982 -1.588 -6.864 155 1H2* A 5 1H2' A 5 -4.745 -0.060 -6.375 156 2H2* A 5 2H2' A 5 -5.263 -1.555 -5.530 157 H1* A 5 H1' A 5 -5.495 1.340 -4.862 158 H8 A 5 H8 A 5 -6.171 -1.911 -2.989 159 1H6 A 5 1H6 A 5 -0.842 -0.583 0.031 160 2H6 A 5 2H6 A 5 -2.123 -1.778 -0.126 161 H2 A 5 H2 A 5 -1.692 2.685 -2.840 162 1H5* A 6 1H5' A 6 -5.007 2.704 -8.012 163 2H5* A 6 2H5' A 6 -4.279 2.572 -9.600 164 H4* A 6 H4' A 6 -2.907 3.857 -8.038 165 H3* A 6 H3' A 6 -2.040 1.728 -9.754 166 1H2* A 6 1H2' A 6 0.114 1.282 -8.305 167 2H2* A 6 2H2' A 6 -1.389 0.361 -8.100 168 H1* A 6 H1' A 6 -0.502 2.822 -6.540 169 H8 A 6 H8 A 6 -2.234 -0.512 -5.896 170 1H6 A 6 1H6 A 6 2.040 -1.319 -1.477 171 2H6 A 6 2H6 A 6 0.626 -2.005 -2.255 172 H2 A 6 H2 A 6 2.755 2.640 -3.445 173 1H5* T 7 1H5' T 7 1.505 5.164 -8.139 174 2H5* T 7 2H5' T 7 2.474 5.259 -9.600 175 H4* T 7 H4' T 7 3.838 5.315 -7.525 176 H3* T 7 H3' T 7 4.313 3.808 -9.918 177 1H2* T 7 1H2' T 7 5.747 2.007 -8.565 178 2H2* T 7 2H2' T 7 4.006 1.767 -8.835 179 H1* T 7 H1' T 7 5.298 3.162 -6.445 180 H3 T 7 H3 T 7 5.567 -0.546 -3.792 181 1H5M T 7 1H5M T 7 2.329 -2.331 -7.112 182 2H5M T 7 2H5M T 7 1.510 -2.183 -5.546 183 3H5M T 7 3H5M T 7 1.130 -1.046 -6.853 184 H6 T 7 H6 T 7 2.595 0.815 -7.295 185 1H5* G 8 1H5' G 8 8.327 4.856 -6.918 186 2H5* G 8 2H5' G 8 9.515 5.180 -8.180 187 H4* G 8 H4' G 8 10.511 4.134 -6.209 188 H3* G 8 H3' G 8 10.912 3.337 -8.937 189 1H2* G 8 1H2' G 8 11.650 0.851 -8.096 190 2H2* G 8 2H2' G 8 10.001 1.226 -8.659 191 H1* G 8 H1' G 8 11.033 1.259 -5.791 192 H8 G 8 H8 G 8 7.928 0.132 -7.842 193 H1 G 8 H1 G 8 9.821 -3.976 -3.298 194 1H2 G 8 1H2 G 8 11.649 -3.118 -2.226 195 2H2 G 8 2H2 G 8 12.328 -1.569 -2.677 196 1H5* A 9 1H5' A3' 9 14.437 2.068 -5.643 197 2H5* A 9 2H5' A3' 9 15.922 1.942 -6.589 198 H4* A 9 H4' A3' 9 15.616 0.101 -4.924 199 H3* A 9 H3' A3' 9 16.252 -0.250 -7.782 200 1H2* A 9 1H2' A3' 9 15.802 -2.939 -7.145 201 2H2* A 9 2H2' A3' 9 14.716 -1.895 -8.109 202 H1* A 9 H1' A3' 9 14.621 -2.430 -5.114 203 H8 A 9 H8 A3' 9 12.176 -1.629 -8.020 204 1H6 A 9 1H6 A3' 9 9.179 -6.769 -6.340 205 2H6 A 9 2H6 A3' 9 9.199 -5.390 -7.419 206 H2 A 9 H2 A3' 9 12.784 -6.331 -3.702 207 H3T A 9 HO3' A3' 9 17.789 -1.619 -6.835 No H/Q in entry = 207
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