NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1781 | 1axp | 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' G 1 3.040 -6.703 -4.061 2 2H5* G 1 2H5' G 1 2.026 -5.337 -3.548 3 H4* G 1 H4' G 1 4.952 -5.127 -4.415 4 H3* G 1 H3' G 1 4.107 -6.156 -1.975 5 1H2* G 1 1H2' G 1 4.323 -3.843 -0.575 6 2H2* G 1 2H2' G 1 2.805 -4.225 -1.428 7 H1* G 1 H1' G 1 5.153 -2.586 -2.468 8 H8 G 1 H8 G 1 1.228 -2.642 -2.515 9 H1 G 1 H1 G 1 3.827 3.155 -1.552 10 1H2 G 1 1H2 G 1 6.888 1.422 -1.691 11 2H2 G 1 2H2 G 1 6.090 2.963 -1.459 12 H5T G 1 H5' G 1 2.408 -4.420 -5.618 13 1H5* A 2 1H5' A 2 7.796 -3.051 -1.920 14 2H5* A 2 2H5' A 2 9.026 -3.840 -0.913 15 H4* A 2 H4' A 2 9.161 -1.443 -0.628 16 H3* A 2 H3' A 2 8.907 -3.244 1.552 17 1H2* A 2 1H2' A 2 7.535 -1.411 3.053 18 2H2* A 2 2H2' A 2 6.677 -2.582 2.019 19 H1* A 2 H1' A 2 7.555 0.241 1.263 20 H8 A 2 H8 A 2 4.515 -2.215 0.966 21 1H6 A 2 1H6 A 2 0.977 2.832 1.427 22 2H6 A 2 2H6 A 2 1.000 1.090 1.263 23 H2 A 2 H2 A 2 5.261 4.110 1.785 24 1H5* A 3 1H5' A 3 9.967 1.369 2.286 25 2H5* A 3 2H5' A 3 11.234 1.405 3.528 26 H4* A 3 H4' A 3 9.797 3.335 3.738 27 H3* A 3 H3' A 3 10.287 1.521 5.922 28 1H2* A 3 1H2' A 3 7.922 2.347 7.087 29 2H2* A 3 2H2' A 3 8.041 0.883 6.077 30 H1* A 3 H1' A 3 7.314 3.697 5.164 31 H8 A 3 H8 A 3 6.213 -0.053 4.810 32 1H6 A 3 1H6 A 3 0.458 2.176 4.429 33 2H6 A 3 2H6 A 3 1.456 0.736 4.466 34 H2 A 3 H2 A 3 3.248 5.641 4.984 35 1H5* G 4 1H5' G 4 8.737 5.970 6.472 36 2H5* G 4 2H5' G 4 9.495 6.671 7.917 37 H4* G 4 H4' G 4 7.205 7.492 7.607 38 H3* G 4 H3' G 4 8.142 6.280 10.064 39 1H2* G 4 1H2' G 4 5.496 5.757 10.692 40 2H2* G 4 2H2' G 4 6.573 4.550 9.941 41 H1* G 4 H1' G 4 4.744 6.517 8.498 42 H8 G 4 H8 G 4 5.859 2.757 8.326 43 H1 G 4 H1 G 4 -0.440 3.767 7.572 44 1H2 G 4 1H2 G 4 0.385 7.136 8.171 45 2H2 G 4 2H2 G 4 -0.894 5.977 7.893 46 1H5* A 5 1H5' A 5 4.344 9.096 9.755 47 2H5* A 5 2H5' A 5 4.380 10.202 11.143 48 H4* A 5 H4' A 5 2.090 9.670 10.516 49 H3* A 5 H3' A 5 3.120 9.324 13.181 50 1H2* A 5 1H2' A 5 1.141 7.451 13.657 51 2H2* A 5 2H2' A 5 2.796 7.009 13.161 52 H1* A 5 H1' A 5 0.394 7.476 11.341 53 H8 A 5 H8 A 5 3.465 5.072 11.774 54 1H6 A 5 1H6 A 5 -0.445 0.548 10.212 55 2H6 A 5 2H6 A 5 1.188 0.947 10.704 56 H2 A 5 H2 A 5 -2.753 4.390 10.306 57 1H5* G 6 1H5' G 6 -1.515 9.509 12.245 58 2H5* G 6 2H5' G 6 -2.312 10.469 13.509 59 H4* G 6 H4' G 6 -3.740 8.630 12.754 60 H3* G 6 H3' G 6 -3.021 9.038 15.540 61 1H2* G 6 1H2' G 6 -3.741 6.390 15.957 62 2H2* G 6 2H2' G 6 -2.056 6.923 15.718 63 H1* G 6 H1' G 6 -4.006 5.998 13.567 64 H8 G 6 H8 G 6 -0.233 5.611 14.582 65 H1 G 6 H1 G 6 -3.112 0.187 12.700 66 1H2 G 6 1H2 G 6 -6.003 2.188 12.537 67 2H2 G 6 2H2 G 6 -5.333 0.579 12.385 68 1H5* A 7 1H5' A 7 -6.824 6.658 14.062 69 2H5* A 7 2H5' A 7 -8.194 7.090 15.107 70 H4* A 7 H4' A 7 -8.348 4.761 14.374 71 H3* A 7 H3' A 7 -8.415 5.566 17.152 72 1H2* A 7 1H2' A 7 -7.671 2.980 17.809 73 2H2* A 7 2H2' A 7 -6.515 4.333 17.697 74 H1* A 7 H1' A 7 -7.276 2.377 15.485 75 H8 A 7 H8 A 7 -4.143 4.242 16.938 76 1H6 A 7 1H6 A 7 -1.125 -1.076 16.039 77 2H6 A 7 2H6 A 7 -1.014 0.575 16.607 78 H2 A 7 H2 A 7 -5.413 -1.713 14.888 79 1H5* A 8 1H5' A 8 -10.123 1.439 15.604 80 2H5* A 8 2H5' A 8 -11.622 1.065 16.480 81 H4* A 8 H4' A 8 -10.322 -0.964 16.012 82 H3* A 8 H3' A 8 -11.230 -0.224 18.657 83 1H2* A 8 1H2' A 8 -9.244 -1.854 19.686 84 2H2* A 8 2H2' A 8 -9.061 -0.090 19.504 85 H1* A 8 H1' A 8 -8.276 -2.235 17.482 86 H8 A 8 H8 A 8 -6.954 1.113 19.056 87 1H6 A 8 1H6 A 8 -1.416 -1.633 19.094 88 2H6 A 8 2H6 A 8 -2.324 -0.194 19.511 89 H2 A 8 H2 A 8 -4.403 -4.572 17.497 90 1H5* G 9 1H5' G 9 -10.046 -4.632 17.394 91 2H5* G 9 2H5' G 9 -11.179 -5.765 18.158 92 H4* G 9 H4' G 9 -8.944 -6.732 17.979 93 H3* G 9 H3' G 9 -10.430 -6.649 20.421 94 1H2* G 9 1H2' G 9 -8.116 -6.601 21.892 95 2H2* G 9 2H2' G 9 -8.937 -5.097 21.403 96 H1* G 9 H1' G 9 -6.748 -6.557 19.859 97 H8 G 9 H8 G 9 -7.742 -2.959 21.084 98 H1 G 9 H1 G 9 -1.486 -4.360 21.475 99 1H2 G 9 1H2 G 9 -2.490 -7.530 20.323 100 2H2 G 9 2H2 G 9 -1.168 -6.543 20.908 101 1H5* C 10 1H5' C 10 -6.565 -9.351 19.773 102 2H5* C 10 2H5' C 10 -6.917 -10.947 20.464 103 H4* C 10 H4' C 10 -4.533 -10.397 20.638 104 H3* C 10 H3' C 10 -6.123 -11.300 22.845 105 1H2* C 10 1H2' C 10 -4.449 -10.010 24.586 106 2H2* C 10 2H2' C 10 -5.970 -9.261 24.012 107 H1* C 10 H1' C 10 -3.187 -8.994 22.784 108 1H4 C 10 1H4 C 10 -5.128 -2.882 24.842 109 2H4 C 10 2H4 C 10 -3.388 -2.973 25.022 110 H5 C 10 H5 C 10 -6.482 -4.816 24.083 111 H6 C 10 H6 C 10 -6.359 -7.082 23.268 112 H3T C 10 3HO' C 10 -4.217 -12.275 21.992 113 1H5* G 1 1H5' G 1 6.194 -0.682 28.399 114 2H5* G 1 2H5' G 1 7.643 -0.575 27.382 115 H4* G 1 H4' G 1 6.766 -2.868 27.434 116 H3* G 1 H3' G 1 7.452 -1.514 25.068 117 1H2* G 1 1H2' G 1 5.437 -2.636 23.610 118 2H2* G 1 2H2' G 1 5.190 -1.093 24.461 119 H1* G 1 H1' G 1 4.572 -3.892 25.500 120 H8 G 1 H8 G 1 3.087 -0.258 25.476 121 H1 G 1 H1 G 1 -1.193 -4.937 24.431 122 1H2 G 1 1H2 G 1 1.604 -7.062 24.616 123 2H2 G 1 2H2 G 1 -0.122 -6.933 24.344 124 H5T G 1 H5' G 1 5.003 0.130 26.613 125 1H5* C 2 1H5' C 2 6.057 -6.063 24.823 126 2H5* C 2 2H5' C 2 7.186 -6.909 23.746 127 H4* C 2 H4' C 2 4.916 -7.793 23.525 128 H3* C 2 H3' C 2 6.497 -6.897 21.297 129 1H2* C 2 1H2' C 2 4.187 -6.435 19.873 130 2H2* C 2 2H2' C 2 5.043 -5.160 20.770 131 H1* C 2 H1' C 2 2.810 -6.962 21.795 132 1H4 C 2 1H4 C 2 0.463 -0.637 21.631 133 2H4 C 2 2H4 C 2 -0.904 -1.718 21.454 134 H5 C 2 H5 C 2 2.790 -1.479 21.863 135 H6 C 2 H6 C 2 4.143 -3.474 21.969 136 1H5* T 3 1H5' T 3 2.622 -9.590 20.803 137 2H5* T 3 2H5' T 3 2.966 -10.836 19.586 138 H4* T 3 H4' T 3 0.634 -10.123 19.467 139 H3* T 3 H3' T 3 2.424 -10.073 17.193 140 1H2* T 3 1H2' T 3 0.713 -8.240 16.026 141 2H2* T 3 2H2' T 3 2.201 -7.782 16.889 142 H1* T 3 H1' T 3 -0.602 -8.056 18.042 143 H3 T 3 H3 T 3 -1.598 -3.591 17.979 144 1H5M T 3 1H5M T 3 3.358 -3.203 17.365 145 2H5M T 3 2H5M T 3 2.880 -2.460 18.903 146 3H5M T 3 3H5M T 3 3.714 -4.024 18.899 147 H6 T 3 H6 T 3 2.523 -6.028 18.321 148 1H5* T 4 1H5' T 4 -2.295 -10.217 16.849 149 2H5* T 4 2H5' T 4 -2.753 -11.254 15.482 150 H4* T 4 H4' T 4 -4.289 -9.347 15.752 151 H3* T 4 H3' T 4 -2.932 -9.982 13.264 152 1H2* T 4 1H2' T 4 -3.466 -7.369 12.496 153 2H2* T 4 2H2' T 4 -1.898 -7.918 13.128 154 H1* T 4 H1' T 4 -4.245 -6.784 14.702 155 H3 T 4 H3 T 4 -2.534 -2.549 15.053 156 1H5M T 4 1H5M T 4 1.688 -4.953 13.699 157 2H5M T 4 2H5M T 4 1.856 -4.201 15.297 158 3H5M T 4 3H5M T 4 1.648 -5.954 15.165 159 H6 T 4 H6 T 4 -0.513 -6.883 14.623 160 1H5* C 5 1H5' C 5 -6.873 -7.444 13.567 161 2H5* C 5 2H5' C 5 -7.960 -7.839 12.218 162 H4* C 5 H4' C 5 -8.080 -5.463 12.821 163 H3* C 5 H3' C 5 -7.534 -6.396 10.128 164 1H2* C 5 1H2' C 5 -6.480 -3.888 9.617 165 2H2* C 5 2H2' C 5 -5.485 -5.303 10.037 166 H1* C 5 H1' C 5 -6.687 -3.266 11.952 167 1H4 C 5 1H4 C 5 0.021 -2.495 11.835 168 2H4 C 5 2H4 C 5 -0.698 -0.937 12.195 169 H5 C 5 H5 C 5 -1.369 -4.538 11.517 170 H6 C 5 H6 C 5 -3.632 -5.366 11.439 171 1H5* T 6 1H5' T 6 -9.248 -2.127 11.221 172 2H5* T 6 2H5' T 6 -10.514 -1.719 10.045 173 H4* T 6 H4' T 6 -9.306 0.280 10.782 174 H3* T 6 H3' T 6 -9.629 -0.456 8.003 175 1H2* T 6 1H2' T 6 -7.450 1.151 7.438 176 2H2* T 6 2H2' T 6 -7.341 -0.614 7.630 177 H1* T 6 H1' T 6 -6.989 1.506 9.790 178 H3 T 6 H3 T 6 -2.411 1.495 9.586 179 1H5M T 6 1H5M T 6 -2.346 -3.145 8.806 180 2H5M T 6 2H5M T 6 -4.061 -3.576 8.715 181 3H5M T 6 3H5M T 6 -3.241 -2.899 7.294 182 H6 T 6 H6 T 6 -5.747 -1.858 8.762 183 1H5* C 7 1H5' C 7 -8.715 3.948 9.491 184 2H5* C 7 2H5' C 7 -9.656 5.086 8.505 185 H4* C 7 H4' C 7 -7.485 6.029 9.163 186 H3* C 7 H3' C 7 -8.435 5.937 6.444 187 1H2* C 7 1H2' C 7 -5.815 6.071 5.584 188 2H2* C 7 2H2' C 7 -6.710 4.541 5.739 189 H1* C 7 H1' C 7 -4.991 5.897 7.858 190 1H4 C 7 1H4 C 7 -1.933 0.206 5.887 191 2H4 C 7 2H4 C 7 -0.696 1.321 6.435 192 H5 C 7 H5 C 7 -4.350 0.794 5.946 193 H6 C 7 H6 C 7 -5.922 2.535 6.500 194 1H5* T 8 1H5' T 8 -4.936 8.780 7.917 195 2H5* T 8 2H5' T 8 -5.170 10.365 7.153 196 H4* T 8 H4' T 8 -2.799 9.882 7.456 197 H3* T 8 H3' T 8 -3.961 10.601 4.915 198 1H2* T 8 1H2' T 8 -1.804 9.399 3.674 199 2H2* T 8 2H2' T 8 -3.376 8.595 3.902 200 H1* T 8 H1' T 8 -0.964 8.523 5.761 201 H3 T 8 H3 T 8 0.578 4.451 4.359 202 1H5M T 8 1H5M T 8 -3.803 2.901 3.629 203 2H5M T 8 2H5M T 8 -4.811 4.306 4.009 204 3H5M T 8 3H5M T 8 -4.042 4.172 2.415 205 H6 T 8 H6 T 8 -3.792 6.431 4.499 206 1H5* T 9 1H5' T 9 0.640 11.067 5.908 207 2H5* T 9 2H5' T 9 1.265 12.550 5.156 208 H4* T 9 H4' T 9 2.929 10.725 5.169 209 H3* T 9 H3' T 9 2.181 12.215 2.801 210 1H2* T 9 1H2' T 9 3.134 10.093 1.306 211 2H2* T 9 2H2' T 9 1.415 10.326 1.689 212 H1* T 9 H1' T 9 3.465 8.747 3.307 213 H3 T 9 H3 T 9 2.316 4.652 1.608 214 1H5M T 9 1H5M T 9 -1.775 7.217 0.164 215 2H5M T 9 2H5M T 9 -2.199 5.910 1.287 216 3H5M T 9 3H5M T 9 -2.204 7.589 1.847 217 H6 T 9 H6 T 9 -0.121 8.736 2.258 218 1H5* C 10 1H5' C 10 6.219 9.786 3.285 219 2H5* C 10 2H5' C 10 7.531 10.747 2.572 220 H4* C 10 H4' C 10 7.940 8.355 2.310 221 H3* C 10 H3' C 10 8.035 10.219 0.130 222 1H2* C 10 1H2' C 10 7.448 8.194 -1.621 223 2H2* C 10 2H2' C 10 6.183 9.284 -0.977 224 H1* C 10 H1' C 10 7.099 6.609 0.171 225 1H4 C 10 1H4 C 10 0.683 5.961 -1.794 226 2H4 C 10 2H4 C 10 1.454 4.396 -1.958 227 H5 C 10 H5 C 10 1.924 7.965 -1.013 228 H6 C 10 H6 C 10 4.066 8.756 -0.242 229 H3T C 10 3HO' C 10 9.728 8.851 0.885 Start of MODEL 2 1 1H5* G 1 1H5' G 1 1.413 -4.975 -4.002 2 2H5* G 1 2H5' G 1 1.910 -4.662 -5.676 3 H4* G 1 H4' G 1 4.310 -4.739 -4.946 4 H3* G 1 H3' G 1 3.427 -5.883 -2.556 5 1H2* G 1 1H2' G 1 3.791 -3.681 -1.021 6 2H2* G 1 2H2' G 1 2.246 -3.920 -1.877 7 H1* G 1 H1' G 1 4.675 -2.352 -2.838 8 H8 G 1 H8 G 1 0.754 -2.187 -2.831 9 H1 G 1 H1 G 1 3.689 3.387 -1.566 10 1H2 G 1 1H2 G 1 6.644 1.496 -1.850 11 2H2 G 1 2H2 G 1 5.939 3.063 -1.517 12 H5T G 1 H5' G 1 2.600 -6.935 -4.133 13 1H5* A 2 1H5' A 2 7.288 -2.996 -2.369 14 2H5* A 2 2H5' A 2 8.482 -3.918 -1.434 15 H4* A 2 H4' A 2 8.762 -1.556 -0.998 16 H3* A 2 H3' A 2 8.427 -3.478 1.064 17 1H2* A 2 1H2' A 2 7.184 -1.671 2.702 18 2H2* A 2 2H2' A 2 6.246 -2.720 1.608 19 H1* A 2 H1' A 2 7.277 0.091 1.024 20 H8 A 2 H8 A 2 4.098 -2.165 0.622 21 1H6 A 2 1H6 A 2 0.861 3.039 1.424 22 2H6 A 2 2H6 A 2 0.782 1.310 1.160 23 H2 A 2 H2 A 2 5.215 4.049 1.795 24 1H5* A 3 1H5' A 3 9.785 1.006 2.091 25 2H5* A 3 2H5' A 3 11.057 0.878 3.322 26 H4* A 3 H4' A 3 9.740 2.873 3.675 27 H3* A 3 H3' A 3 10.126 0.884 5.726 28 1H2* A 3 1H2' A 3 7.824 1.782 6.965 29 2H2* A 3 2H2' A 3 7.847 0.381 5.862 30 H1* A 3 H1' A 3 7.288 3.287 5.140 31 H8 A 3 H8 A 3 5.963 -0.362 4.565 32 1H6 A 3 1H6 A 3 0.348 2.218 4.389 33 2H6 A 3 2H6 A 3 1.259 0.722 4.333 34 H2 A 3 H2 A 3 3.344 5.479 5.089 35 1H5* G 4 1H5' G 4 8.901 5.377 6.584 36 2H5* G 4 2H5' G 4 9.680 5.934 8.079 37 H4* G 4 H4' G 4 7.445 6.911 7.779 38 H3* G 4 H3' G 4 8.284 5.559 10.187 39 1H2* G 4 1H2' G 4 5.624 5.074 10.766 40 2H2* G 4 2H2' G 4 6.661 3.881 9.938 41 H1* G 4 H1' G 4 4.925 6.013 8.620 42 H8 G 4 H8 G 4 5.828 2.209 8.254 43 H1 G 4 H1 G 4 -0.405 3.624 7.612 44 1H2 G 4 1H2 G 4 0.633 6.906 8.351 45 2H2 G 4 2H2 G 4 -0.721 5.842 8.046 46 1H5* A 5 1H5' A 5 4.568 8.473 9.881 47 2H5* A 5 2H5' A 5 4.634 9.557 11.285 48 H4* A 5 H4' A 5 2.332 9.158 10.606 49 H3* A 5 H3' A 5 3.291 8.720 13.286 50 1H2* A 5 1H2' A 5 1.193 6.967 13.696 51 2H2* A 5 2H2' A 5 2.828 6.429 13.231 52 H1* A 5 H1' A 5 0.498 7.052 11.365 53 H8 A 5 H8 A 5 3.442 4.493 11.774 54 1H6 A 5 1H6 A 5 -0.659 0.193 10.081 55 2H6 A 5 2H6 A 5 0.989 0.508 10.582 56 H2 A 5 H2 A 5 -2.801 4.125 10.292 57 1H5* G 6 1H5' G 6 -1.304 9.241 12.251 58 2H5* G 6 2H5' G 6 -2.050 10.251 13.508 59 H4* G 6 H4' G 6 -3.607 8.541 12.699 60 H3* G 6 H3' G 6 -2.961 8.914 15.486 61 1H2* G 6 1H2' G 6 -3.730 6.299 15.948 62 2H2* G 6 2H2' G 6 -2.031 6.774 15.687 63 H1* G 6 H1' G 6 -4.026 5.869 13.566 64 H8 G 6 H8 G 6 -0.283 5.369 14.645 65 H1 G 6 H1 G 6 -3.257 0.052 12.623 66 1H2 G 6 1H2 G 6 -6.094 2.123 12.438 67 2H2 G 6 2H2 G 6 -5.460 0.500 12.282 68 1H5* A 7 1H5' A 7 -6.807 6.596 13.980 69 2H5* A 7 2H5' A 7 -8.177 7.061 15.010 70 H4* A 7 H4' A 7 -8.354 4.723 14.303 71 H3* A 7 H3' A 7 -8.451 5.568 17.064 72 1H2* A 7 1H2' A 7 -7.716 2.996 17.783 73 2H2* A 7 2H2' A 7 -6.557 4.344 17.652 74 H1* A 7 H1' A 7 -7.304 2.342 15.476 75 H8 A 7 H8 A 7 -4.198 4.213 16.983 76 1H6 A 7 1H6 A 7 -1.133 -1.073 16.063 77 2H6 A 7 2H6 A 7 -1.040 0.573 16.647 78 H2 A 7 H2 A 7 -5.405 -1.731 14.863 79 1H5* A 8 1H5' A 8 -10.143 1.411 15.577 80 2H5* A 8 2H5' A 8 -11.641 1.037 16.454 81 H4* A 8 H4' A 8 -10.314 -0.985 16.027 82 H3* A 8 H3' A 8 -11.237 -0.207 18.660 83 1H2* A 8 1H2' A 8 -9.242 -1.815 19.711 84 2H2* A 8 2H2' A 8 -9.072 -0.052 19.510 85 H1* A 8 H1' A 8 -8.270 -2.212 17.511 86 H8 A 8 H8 A 8 -6.971 1.152 19.070 87 1H6 A 8 1H6 A 8 -1.417 -1.560 19.128 88 2H6 A 8 2H6 A 8 -2.335 -0.126 19.540 89 H2 A 8 H2 A 8 -4.383 -4.525 17.540 90 1H5* G 9 1H5' G 9 -10.018 -4.616 17.453 91 2H5* G 9 2H5' G 9 -11.138 -5.753 18.229 92 H4* G 9 H4' G 9 -8.893 -6.697 18.059 93 H3* G 9 H3' G 9 -10.381 -6.608 20.499 94 1H2* G 9 1H2' G 9 -8.070 -6.519 21.972 95 2H2* G 9 2H2' G 9 -8.907 -5.029 21.467 96 H1* G 9 H1' G 9 -6.700 -6.481 19.939 97 H8 G 9 H8 G 9 -7.734 -2.883 21.132 98 H1 G 9 H1 G 9 -1.463 -4.215 21.541 99 1H2 G 9 1H2 G 9 -2.430 -7.402 20.409 100 2H2 G 9 2H2 G 9 -1.120 -6.396 20.988 101 1H5* C 10 1H5' C 10 -6.481 -9.266 19.886 102 2H5* C 10 2H5' C 10 -6.813 -10.860 20.593 103 H4* C 10 H4' C 10 -4.437 -10.276 20.767 104 H3* C 10 H3' C 10 -6.018 -11.178 22.979 105 1H2* C 10 1H2' C 10 -4.367 -9.845 24.711 106 2H2* C 10 2H2' C 10 -5.896 -9.124 24.125 107 H1* C 10 H1' C 10 -3.114 -8.832 22.900 108 1H4 C 10 1H4 C 10 -5.145 -2.729 24.900 109 2H4 C 10 2H4 C 10 -3.403 -2.793 25.083 110 H5 C 10 H5 C 10 -6.468 -4.687 24.154 111 H6 C 10 H6 C 10 -6.313 -6.959 23.360 112 H3T C 10 3HO' C 10 -3.956 -11.901 23.682 113 1H5* G 1 1H5' G 1 7.325 0.204 26.937 114 2H5* G 1 2H5' G 1 5.644 0.438 26.411 115 H4* G 1 H4' G 1 6.847 -2.212 27.347 116 H3* G 1 H3' G 1 7.415 -1.075 24.901 117 1H2* G 1 1H2' G 1 5.424 -2.228 23.475 118 2H2* G 1 2H2' G 1 5.116 -0.704 24.341 119 H1* G 1 H1' G 1 4.598 -3.542 25.325 120 H8 G 1 H8 G 1 3.034 0.058 25.386 121 H1 G 1 H1 G 1 -1.181 -4.710 24.491 122 1H2 G 1 1H2 G 1 1.662 -6.780 24.608 123 2H2 G 1 2H2 G 1 -0.074 -6.688 24.390 124 H5T G 1 H5' G 1 5.969 0.940 28.618 125 1H5* C 2 1H5' C 2 6.114 -5.681 24.824 126 2H5* C 2 2H5' C 2 7.264 -6.523 23.766 127 H4* C 2 H4' C 2 5.022 -7.482 23.580 128 H3* C 2 H3' C 2 6.572 -6.618 21.326 129 1H2* C 2 1H2' C 2 4.257 -6.231 19.890 130 2H2* C 2 2H2' C 2 5.085 -4.918 20.758 131 H1* C 2 H1' C 2 2.884 -6.739 21.818 132 1H4 C 2 1H4 C 2 0.424 -0.459 21.595 133 2H4 C 2 2H4 C 2 -0.927 -1.565 21.455 134 H5 C 2 H5 C 2 2.768 -1.256 21.795 135 H6 C 2 H6 C 2 4.156 -3.225 21.912 136 1H5* T 3 1H5' T 3 2.752 -9.397 20.897 137 2H5* T 3 2H5' T 3 3.111 -10.660 19.702 138 H4* T 3 H4' T 3 0.769 -9.976 19.577 139 H3* T 3 H3' T 3 2.554 -9.938 17.295 140 1H2* T 3 1H2' T 3 0.789 -8.169 16.105 141 2H2* T 3 2H2' T 3 2.277 -7.663 16.940 142 H1* T 3 H1' T 3 -0.506 -7.965 18.132 143 H3 T 3 H3 T 3 -1.587 -3.521 17.997 144 1H5M T 3 1H5M T 3 2.879 -2.293 18.849 145 2H5M T 3 2H5M T 3 3.743 -3.840 18.855 146 3H5M T 3 3H5M T 3 3.352 -3.047 17.316 147 H6 T 3 H6 T 3 2.583 -5.873 18.328 148 1H5* T 4 1H5' T 4 -2.146 -10.188 16.993 149 2H5* T 4 2H5' T 4 -2.616 -11.241 15.642 150 H4* T 4 H4' T 4 -4.156 -9.332 15.932 151 H3* T 4 H3' T 4 -2.843 -9.980 13.413 152 1H2* T 4 1H2' T 4 -3.496 -7.384 12.653 153 2H2* T 4 2H2' T 4 -1.884 -7.891 13.207 154 H1* T 4 H1' T 4 -4.177 -6.794 14.880 155 H3 T 4 H3 T 4 -2.514 -2.528 15.030 156 1H5M T 4 1H5M T 4 1.718 -4.908 13.691 157 2H5M T 4 2H5M T 4 1.898 -4.130 15.276 158 3H5M T 4 3H5M T 4 1.708 -5.888 15.173 159 H6 T 4 H6 T 4 -0.451 -6.850 14.695 160 1H5* C 5 1H5' C 5 -6.735 -7.512 13.934 161 2H5* C 5 2H5' C 5 -7.934 -8.004 12.722 162 H4* C 5 H4' C 5 -8.150 -5.644 13.291 163 H3* C 5 H3' C 5 -7.898 -6.599 10.589 164 1H2* C 5 1H2' C 5 -6.885 -4.146 9.835 165 2H2* C 5 2H2' C 5 -5.841 -5.525 10.261 166 H1* C 5 H1' C 5 -6.887 -3.348 12.093 167 1H4 C 5 1H4 C 5 -0.182 -2.693 11.770 168 2H4 C 5 2H4 C 5 -0.867 -1.113 12.101 169 H5 C 5 H5 C 5 -1.611 -4.717 11.525 170 H6 C 5 H6 C 5 -3.890 -5.507 11.518 171 1H5* T 6 1H5' T 6 -10.456 -2.069 8.418 172 2H5* T 6 2H5' T 6 -8.732 -2.349 8.080 173 H4* T 6 H4' T 6 -9.919 -0.225 9.923 174 H3* T 6 H3' T 6 -9.629 -0.155 7.147 175 1H2* T 6 1H2' T 6 -7.330 1.278 7.151 176 2H2* T 6 2H2' T 6 -7.284 -0.502 7.210 177 H1* T 6 H1' T 6 -7.223 1.422 9.567 178 H3 T 6 H3 T 6 -2.622 1.246 9.461 179 1H5M T 6 1H5M T 6 -2.711 -3.416 8.842 180 2H5M T 6 2H5M T 6 -4.441 -3.800 8.831 181 3H5M T 6 3H5M T 6 -3.651 -3.219 7.352 182 H6 T 6 H6 T 6 -6.082 -2.026 8.803 183 1H5* C 7 1H5' C 7 -8.626 3.954 9.449 184 2H5* C 7 2H5' C 7 -9.534 5.196 8.563 185 H4* C 7 H4' C 7 -7.421 6.092 9.418 186 H3* C 7 H3' C 7 -8.277 6.340 6.711 187 1H2* C 7 1H2' C 7 -5.673 6.403 5.830 188 2H2* C 7 2H2' C 7 -6.627 4.903 5.880 189 H1* C 7 H1' C 7 -4.812 6.024 8.059 190 1H4 C 7 1H4 C 7 -2.145 0.240 5.815 191 2H4 C 7 2H4 C 7 -0.832 1.241 6.401 192 H5 C 7 H5 C 7 -4.509 1.003 5.869 193 H6 C 7 H6 C 7 -5.955 2.831 6.492 194 1H5* T 8 1H5' T 8 -4.580 8.855 8.366 195 2H5* T 8 2H5' T 8 -4.742 10.505 7.731 196 H4* T 8 H4' T 8 -2.401 9.874 7.912 197 H3* T 8 H3' T 8 -3.591 10.825 5.459 198 1H2* T 8 1H2' T 8 -1.524 9.606 4.083 199 2H2* T 8 2H2' T 8 -3.131 8.873 4.293 200 H1* T 8 H1' T 8 -0.688 8.542 6.080 201 H3 T 8 H3 T 8 0.599 4.478 4.433 202 1H5M T 8 1H5M T 8 -4.794 4.687 4.106 203 2H5M T 8 2H5M T 8 -4.027 4.564 2.510 204 3H5M T 8 3H5M T 8 -3.878 3.234 3.675 205 H6 T 8 H6 T 8 -3.644 6.704 4.718 206 1H5* T 9 1H5' T 9 1.041 10.999 6.376 207 2H5* T 9 2H5' T 9 1.734 12.489 5.703 208 H4* T 9 H4' T 9 3.293 10.576 5.574 209 H3* T 9 H3' T 9 2.593 12.249 3.314 210 1H2* T 9 1H2' T 9 3.418 10.173 1.681 211 2H2* T 9 2H2' T 9 1.718 10.475 2.100 212 H1* T 9 H1' T 9 3.695 8.694 3.593 213 H3 T 9 H3 T 9 2.305 4.768 1.687 214 1H5M T 9 1H5M T 9 -2.041 7.931 2.138 215 2H5M T 9 2H5M T 9 -1.645 7.643 0.431 216 3H5M T 9 3H5M T 9 -2.134 6.293 1.474 217 H6 T 9 H6 T 9 0.106 8.941 2.583 218 1H5* C 10 1H5' C 10 6.499 9.591 3.604 219 2H5* C 10 2H5' C 10 7.855 10.515 2.928 220 H4* C 10 H4' C 10 8.124 8.120 2.533 221 H3* C 10 H3' C 10 8.308 10.092 0.456 222 1H2* C 10 1H2' C 10 7.594 8.202 -1.395 223 2H2* C 10 2H2' C 10 6.399 9.326 -0.681 224 H1* C 10 H1' C 10 7.167 6.544 0.312 225 1H4 C 10 1H4 C 10 0.710 6.377 -1.622 226 2H4 C 10 2H4 C 10 1.388 4.782 -1.879 227 H5 C 10 H5 C 10 2.071 8.260 -0.743 228 H6 C 10 H6 C 10 4.261 8.883 0.049 229 H3T C 10 3HO' C 10 9.927 8.592 1.118 Start of MODEL 3 1 1H5* G 1 1H5' G 1 7.852 -11.082 2.025 2 2H5* G 1 2H5' G 1 8.890 -11.030 3.461 3 H4* G 1 H4' G 1 9.429 -9.242 1.823 4 H3* G 1 H3' G 1 9.241 -8.890 4.549 5 1H2* G 1 1H2' G 1 8.049 -6.449 4.419 6 2H2* G 1 2H2' G 1 7.194 -7.972 4.704 7 H1* G 1 H1' G 1 7.866 -6.462 2.118 8 H8 G 1 H8 G 1 4.723 -8.764 2.263 9 H1 G 1 H1 G 1 3.624 -2.528 1.208 10 1H2 G 1 1H2 G 1 7.174 -2.371 1.367 11 2H2 G 1 2H2 G 1 5.713 -1.458 1.028 12 H5T G 1 H5' G 1 6.677 -11.331 3.965 13 1H5* A 2 1H5' A 2 10.434 -4.681 2.205 14 2H5* A 2 2H5' A 2 11.828 -4.131 3.150 15 H4* A 2 H4' A 2 10.563 -2.230 2.437 16 H3* A 2 H3' A 2 11.233 -2.637 5.154 17 1H2* A 2 1H2' A 2 8.972 -1.379 6.029 18 2H2* A 2 2H2' A 2 8.993 -3.144 5.751 19 H1* A 2 H1' A 2 8.173 -0.982 3.749 20 H8 A 2 H8 A 2 7.099 -4.513 4.972 21 1H6 A 2 1H6 A 2 1.307 -2.476 4.497 22 2H6 A 2 2H6 A 2 2.375 -3.806 4.936 23 H2 A 2 H2 A 2 4.046 0.856 3.269 24 1H5* A 3 1H5' A 3 9.537 1.666 3.739 25 2H5* A 3 2H5' A 3 10.478 2.874 4.633 26 H4* A 3 H4' A 3 8.213 3.621 4.288 27 H3* A 3 H3' A 3 9.420 3.527 6.897 28 1H2* A 3 1H2' A 3 6.895 3.455 8.004 29 2H2* A 3 2H2' A 3 7.859 1.982 7.700 30 H1* A 3 H1' A 3 5.811 3.259 5.833 31 H8 A 3 H8 A 3 6.940 -0.241 7.178 32 1H6 A 3 1H6 A 3 0.922 -1.523 7.528 33 2H6 A 3 2H6 A 3 2.573 -2.055 7.839 34 H2 A 3 H2 A 3 1.342 2.600 5.818 35 1H5* G 4 1H5' G 4 5.683 6.308 5.927 36 2H5* G 4 2H5' G 4 5.860 7.830 6.823 37 H4* G 4 H4' G 4 3.521 7.115 6.673 38 H3* G 4 H3' G 4 4.825 7.722 9.198 39 1H2* G 4 1H2' G 4 2.735 6.353 10.385 40 2H2* G 4 2H2' G 4 4.328 5.611 10.059 41 H1* G 4 H1' G 4 1.899 5.592 8.209 42 H8 G 4 H8 G 4 4.734 3.117 9.271 43 H1 G 4 H1 G 4 -1.243 0.818 9.923 44 1H2 G 4 1H2 G 4 -2.113 4.061 8.768 45 2H2 G 4 2H2 G 4 -2.740 2.529 9.343 46 1H5* A 5 1H5' A 5 0.074 8.162 8.593 47 2H5* A 5 2H5' A 5 -0.393 9.639 9.458 48 H4* A 5 H4' A 5 -2.151 7.958 9.580 49 H3* A 5 H3' A 5 -1.061 9.261 11.887 50 1H2* A 5 1H2' A 5 -1.839 7.115 13.431 51 2H2* A 5 2H2' A 5 -0.189 7.272 12.761 52 H1* A 5 H1' A 5 -2.555 5.817 11.490 53 H8 A 5 H8 A 5 1.311 5.418 11.928 54 1H6 A 5 1H6 A 5 0.109 -0.380 13.626 55 2H6 A 5 2H6 A 5 1.325 0.853 13.308 56 H2 A 5 H2 A 5 -3.807 1.630 12.736 57 1H5* G 6 1H5' G 6 -5.297 7.044 12.202 58 2H5* G 6 2H5' G 6 -6.342 8.074 13.200 59 H4* G 6 H4' G 6 -6.763 5.711 13.633 60 H3* G 6 H3' G 6 -6.069 7.585 15.738 61 1H2* G 6 1H2' G 6 -5.444 5.368 17.266 62 2H2* G 6 2H2' G 6 -4.215 6.319 16.382 63 H1* G 6 H1' G 6 -5.711 3.866 15.352 64 H8 G 6 H8 G 6 -2.101 5.353 15.135 65 H1 G 6 H1 G 6 -2.362 -0.797 16.995 66 1H2 G 6 1H2 G 6 -5.863 -0.229 16.826 67 2H2 G 6 2H2 G 6 -4.617 -1.398 17.214 68 1H5* A 7 1H5' A 7 -8.669 3.591 16.675 69 2H5* A 7 2H5' A 7 -9.913 4.152 17.807 70 H4* A 7 H4' A 7 -9.298 1.885 18.352 71 H3* A 7 H3' A 7 -9.284 3.958 20.266 72 1H2* A 7 1H2' A 7 -7.173 2.919 21.626 73 2H2* A 7 2H2' A 7 -6.900 4.054 20.280 74 H1* A 7 H1' A 7 -7.025 1.003 20.080 75 H8 A 7 H8 A 7 -4.844 4.082 19.049 76 1H6 A 7 1H6 A 7 0.005 0.369 19.741 77 2H6 A 7 2H6 A 7 -0.596 1.969 19.329 78 H2 A 7 H2 A 7 -3.691 -2.046 20.596 79 1H5* A 8 1H5' A 8 -9.707 -0.707 21.565 80 2H5* A 8 2H5' A 8 -10.798 -0.665 22.963 81 H4* A 8 H4' A 8 -9.272 -2.590 23.046 82 H3* A 8 H3' A 8 -9.777 -0.904 25.210 83 1H2* A 8 1H2' A 8 -7.212 -0.969 26.129 84 2H2* A 8 2H2' A 8 -7.765 0.305 25.011 85 H1* A 8 H1' A 8 -6.345 -2.301 24.320 86 H8 A 8 H8 A 8 -6.602 1.440 23.213 87 1H6 A 8 1H6 A 8 -0.444 1.324 22.863 88 2H6 A 8 2H6 A 8 -1.920 2.274 22.711 89 H2 A 8 H2 A 8 -1.840 -2.771 24.072 90 1H5* G 9 1H5' G 9 -6.964 -4.738 26.155 91 2H5* G 9 2H5' G 9 -7.497 -5.335 27.739 92 H4* G 9 H4' G 9 -5.095 -5.549 27.541 93 H3* G 9 H3' G 9 -6.321 -4.216 29.730 94 1H2* G 9 1H2' G 9 -4.232 -2.512 30.022 95 2H2* G 9 2H2' G 9 -5.580 -2.093 28.932 96 H1* G 9 H1' G 9 -3.037 -3.596 28.135 97 H8 G 9 H8 G 9 -5.221 -0.524 27.067 98 H1 G 9 H1 G 9 1.117 0.370 26.596 99 1H2 G 9 1H2 G 9 1.212 -2.960 27.865 100 2H2 G 9 2H2 G 9 2.186 -1.569 27.425 101 1H5* C 10 1H5' C 10 -1.819 -5.943 29.892 102 2H5* C 10 2H5' C 10 -1.668 -6.657 31.509 103 H4* C 10 H4' C 10 0.507 -5.892 30.644 104 H3* C 10 H3' C 10 -0.424 -5.344 33.233 105 1H2* C 10 1H2' C 10 0.683 -2.860 33.300 106 2H2* C 10 2H2' C 10 -1.014 -3.100 32.784 107 H1* C 10 H1' C 10 1.486 -2.952 31.037 108 1H4 C 10 1H4 C 10 -2.710 1.898 29.091 109 2H4 C 10 2H4 C 10 -1.090 2.558 29.020 110 H5 C 10 H5 C 10 -3.200 -0.264 30.160 111 H6 C 10 H6 C 10 -2.182 -2.328 30.907 112 H3T C 10 3HO' C 10 1.680 -6.088 32.645 113 1H5* G 1 1H5' G 1 7.639 9.648 27.976 114 2H5* G 1 2H5' G 1 6.017 9.011 27.640 115 H4* G 1 H4' G 1 7.834 8.080 29.915 116 H3* G 1 H3' G 1 8.367 7.459 27.305 117 1H2* G 1 1H2' G 1 6.881 5.221 27.074 118 2H2* G 1 2H2' G 1 6.072 6.796 26.842 119 H1* G 1 H1' G 1 6.289 5.155 29.388 120 H8 G 1 H8 G 1 3.652 7.574 27.804 121 H1 G 1 H1 G 1 1.416 1.799 29.541 122 1H2 G 1 1H2 G 1 4.862 1.162 30.121 123 2H2 G 1 2H2 G 1 3.248 0.470 30.137 124 H5T G 1 H5' G 1 5.988 10.898 28.927 125 1H5* C 2 1H5' C 2 9.976 2.356 27.198 126 2H5* C 2 2H5' C 2 8.473 2.856 26.402 127 H4* C 2 H4' C 2 8.763 0.950 28.776 128 H3* C 2 H3' C 2 9.210 0.384 26.123 129 1H2* C 2 1H2' C 2 6.761 -0.536 25.497 130 2H2* C 2 2H2' C 2 7.136 1.202 25.366 131 H1* C 2 H1' C 2 5.871 -0.284 27.700 132 1H4 C 2 1H4 C 2 1.624 4.336 25.284 133 2H4 C 2 2H4 C 2 0.719 2.868 25.616 134 H5 C 2 H5 C 2 4.092 4.424 25.574 135 H6 C 2 H6 C 2 6.019 3.161 26.372 136 1H5* T 3 1H5' T 3 6.381 -3.080 28.029 137 2H5* T 3 2H5' T 3 7.136 -4.589 27.478 138 H4* T 3 H4' T 3 4.737 -4.798 27.360 139 H3* T 3 H3' T 3 6.417 -5.178 25.033 140 1H2* T 3 1H2' T 3 4.172 -4.778 23.501 141 2H2* T 3 2H2' T 3 5.358 -3.493 23.854 142 H1* T 3 H1' T 3 2.847 -4.174 25.449 143 H3 T 3 H3 T 3 0.203 -0.915 23.627 144 1H5M T 3 1H5M T 3 4.641 0.872 22.149 145 2H5M T 3 2H5M T 3 3.858 2.014 23.252 146 3H5M T 3 3H5M T 3 5.242 1.053 23.809 147 H6 T 3 H6 T 3 4.937 -1.299 24.355 148 1H5* T 4 1H5' T 4 2.120 -7.228 25.433 149 2H5* T 4 2H5' T 4 2.172 -8.813 24.637 150 H4* T 4 H4' T 4 0.010 -7.658 24.331 151 H3* T 4 H3' T 4 1.568 -8.759 22.157 152 1H2* T 4 1H2' T 4 0.149 -7.083 20.482 153 2H2* T 4 2H2' T 4 1.778 -6.717 21.095 154 H1* T 4 H1' T 4 -0.896 -5.931 22.349 155 H3 T 4 H3 T 4 -0.877 -1.687 20.620 156 1H5M T 4 1H5M T 4 3.794 -1.412 20.967 157 2H5M T 4 2H5M T 4 4.261 -2.960 21.692 158 3H5M T 4 3H5M T 4 3.996 -2.844 19.941 159 H6 T 4 H6 T 4 2.602 -4.752 21.889 160 1H5* C 5 1H5' C 5 -3.076 -7.925 21.752 161 2H5* C 5 2H5' C 5 -3.807 -9.233 20.801 162 H4* C 5 H4' C 5 -4.849 -7.078 20.306 163 H3* C 5 H3' C 5 -3.731 -8.791 18.258 164 1H2* C 5 1H2' C 5 -3.643 -6.562 16.633 165 2H2* C 5 2H2' C 5 -2.236 -7.162 17.552 166 H1* C 5 H1' C 5 -4.300 -5.112 18.485 167 1H4 C 5 1H4 C 5 1.611 -2.055 17.427 168 2H4 C 5 2H4 C 5 0.334 -0.935 16.997 169 H5 C 5 H5 C 5 1.115 -4.340 18.243 170 H6 C 5 H6 C 5 -0.666 -5.892 18.748 171 1H5* T 6 1H5' T 6 -7.176 -5.587 17.416 172 2H5* T 6 2H5' T 6 -8.304 -6.354 16.280 173 H4* T 6 H4' T 6 -8.181 -3.941 15.908 174 H3* T 6 H3' T 6 -7.781 -5.891 13.834 175 1H2* T 6 1H2' T 6 -6.366 -4.013 12.422 176 2H2* T 6 2H2' T 6 -5.581 -5.229 13.459 177 H1* T 6 H1' T 6 -6.466 -2.415 14.275 178 H3 T 6 H3 T 6 -2.323 -0.585 13.548 179 1H5M T 6 1H5M T 6 -1.538 -5.560 15.545 180 2H5M T 6 2H5M T 6 -0.955 -5.389 13.879 181 3H5M T 6 3H5M T 6 -0.200 -4.454 15.181 182 H6 T 6 H6 T 6 -3.816 -4.944 14.920 183 1H5* C 7 1H5' C 7 -9.017 -1.357 12.715 184 2H5* C 7 2H5' C 7 -10.193 -1.510 11.395 185 H4* C 7 H4' C 7 -8.816 0.489 11.117 186 H3* C 7 H3' C 7 -9.177 -1.481 9.074 187 1H2* C 7 1H2' C 7 -6.773 -0.754 7.963 188 2H2* C 7 2H2' C 7 -6.941 -2.127 9.090 189 H1* C 7 H1' C 7 -6.281 0.772 9.793 190 1H4 C 7 1H4 C 7 -0.930 -3.087 11.166 191 2H4 C 7 2H4 C 7 -0.342 -1.505 10.696 192 H5 C 7 H5 C 7 -3.340 -3.628 11.201 193 H6 C 7 H6 C 7 -5.551 -2.737 10.807 194 1H5* T 8 1H5' T 8 -7.651 2.975 7.929 195 2H5* T 8 2H5' T 8 -8.516 3.366 6.429 196 H4* T 8 H4' T 8 -6.299 4.373 6.419 197 H3* T 8 H3' T 8 -7.260 2.645 4.327 198 1H2* T 8 1H2' T 8 -4.645 2.139 3.654 199 2H2* T 8 2H2' T 8 -5.624 1.059 4.681 200 H1* T 8 H1' T 8 -3.785 3.323 5.589 201 H3 T 8 H3 T 8 -0.254 0.580 6.654 202 1H5M T 8 1H5M T 8 -4.789 -2.212 7.657 203 2H5M T 8 2H5M T 8 -3.811 -2.900 6.347 204 3H5M T 8 3H5M T 8 -3.170 -2.854 7.997 205 H6 T 8 H6 T 8 -5.019 -0.059 6.549 206 1H5* T 9 1H5' T 9 -3.748 5.788 3.482 207 2H5* T 9 2H5' T 9 -3.986 6.408 1.836 208 H4* T 9 H4' T 9 -1.603 6.192 2.410 209 H3* T 9 H3' T 9 -2.786 5.078 0.027 210 1H2* T 9 1H2' T 9 -0.697 3.292 -0.073 211 2H2* T 9 2H2' T 9 -2.284 2.900 0.628 212 H1* T 9 H1' T 9 0.167 3.999 2.080 213 H3 T 9 H3 T 9 1.535 -0.098 3.645 214 1H5M T 9 1H5M T 9 -2.891 -1.566 4.108 215 2H5M T 9 2H5M T 9 -3.866 -0.186 3.577 216 3H5M T 9 3H5M T 9 -3.164 -1.287 2.379 217 H6 T 9 H6 T 9 -2.759 1.738 2.515 218 1H5* C 10 1H5' C 10 1.982 5.410 -2.973 219 2H5* C 10 2H5' C 10 1.328 3.805 -2.577 220 H4* C 10 H4' C 10 3.818 5.126 -1.397 221 H3* C 10 H3' C 10 3.632 3.699 -3.774 222 1H2* C 10 1H2' C 10 4.433 1.321 -2.762 223 2H2* C 10 2H2' C 10 2.695 1.750 -2.810 224 H1* C 10 H1' C 10 4.650 2.070 -0.492 225 1H4 C 10 1H4 C 10 -0.490 -2.030 0.974 226 2H4 C 10 2H4 C 10 0.994 -2.873 1.378 227 H5 C 10 H5 C 10 -0.472 0.237 -0.029 228 H6 C 10 H6 C 10 0.972 2.012 -0.828 229 H3T C 10 3HO' C 10 5.679 3.456 -1.809 Start of MODEL 4 1 1H5* G 1 1H5' G 1 2.380 -9.456 1.751 2 2H5* G 1 2H5' G 1 2.631 -9.665 0.006 3 H4* G 1 H4' G 1 4.938 -8.741 0.240 4 H3* G 1 H3' G 1 4.725 -9.196 2.983 5 1H2* G 1 1H2' G 1 4.438 -6.599 3.699 6 2H2* G 1 2H2' G 1 3.000 -7.562 3.273 7 H1* G 1 H1' G 1 4.648 -5.780 1.433 8 H8 G 1 H8 G 1 0.921 -6.772 2.165 9 H1 G 1 H1 G 1 1.894 -0.509 1.106 10 1H2 G 1 1H2 G 1 5.279 -1.444 0.826 11 2H2 G 1 2H2 G 1 4.120 -0.133 0.803 12 H5T G 1 H5' G 1 3.073 -11.565 1.190 13 1H5* A 2 1H5' A 2 7.370 -5.411 1.541 14 2H5* A 2 2H5' A 2 8.883 -5.566 2.457 15 H4* A 2 H4' A 2 8.380 -3.226 2.113 16 H3* A 2 H3' A 2 8.908 -4.332 4.670 17 1H2* A 2 1H2' A 2 7.267 -2.540 5.921 18 2H2* A 2 2H2' A 2 6.657 -4.124 5.383 19 H1* A 2 H1' A 2 6.597 -1.502 3.826 20 H8 A 2 H8 A 2 4.380 -4.603 4.731 21 1H6 A 2 1H6 A 2 -0.388 -0.677 4.573 22 2H6 A 2 2H6 A 2 0.121 -2.328 4.854 23 H2 A 2 H2 A 2 3.352 1.660 3.752 24 1H5* A 3 1H5' A 3 8.686 0.418 4.070 25 2H5* A 3 2H5' A 3 10.013 1.116 5.019 26 H4* A 3 H4' A 3 8.104 2.595 5.024 27 H3* A 3 H3' A 3 9.333 1.644 7.452 28 1H2* A 3 1H2' A 3 6.967 2.146 8.790 29 2H2* A 3 2H2' A 3 7.401 0.536 8.160 30 H1* A 3 H1' A 3 5.789 2.698 6.743 31 H8 A 3 H8 A 3 5.807 -1.146 7.532 32 1H6 A 3 1H6 A 3 -0.351 -0.655 7.704 33 2H6 A 3 2H6 A 3 1.025 -1.719 7.915 34 H2 A 3 H2 A 3 1.331 3.402 6.809 35 1H5* G 4 1H5' G 4 6.660 5.540 7.171 36 2H5* G 4 2H5' G 4 7.300 6.787 8.259 37 H4* G 4 H4' G 4 4.847 6.855 8.106 38 H3* G 4 H3' G 4 6.289 6.752 10.605 39 1H2* G 4 1H2' G 4 4.027 5.695 11.794 40 2H2* G 4 2H2' G 4 5.354 4.674 11.179 41 H1* G 4 H1' G 4 2.881 5.570 9.637 42 H8 G 4 H8 G 4 5.046 2.354 10.254 43 H1 G 4 H1 G 4 -1.313 1.460 10.442 44 1H2 G 4 1H2 G 4 -1.456 4.942 9.953 45 2H2 G 4 2H2 G 4 -2.361 3.474 10.248 46 1H5* A 5 1H5' A 5 1.766 8.054 10.139 47 2H5* A 5 2H5' A 5 1.546 9.529 11.102 48 H4* A 5 H4' A 5 -0.509 8.232 11.027 49 H3* A 5 H3' A 5 0.735 9.086 13.479 50 1H2* A 5 1H2' A 5 -0.571 7.038 14.799 51 2H2* A 5 2H2' A 5 1.110 6.898 14.219 52 H1* A 5 H1' A 5 -1.423 6.077 12.731 53 H8 A 5 H8 A 5 2.257 4.861 13.320 54 1H6 A 5 1H6 A 5 1.295 0.163 13.856 55 2H6 A 5 2H6 A 5 -0.167 -0.800 13.797 56 H2 A 5 H2 A 5 -3.546 2.098 13.259 57 1H5* G 6 1H5' G 6 -3.818 7.741 13.260 58 2H5* G 6 2H5' G 6 -4.761 8.873 14.252 59 H4* G 6 H4' G 6 -5.691 6.619 14.391 60 H3* G 6 H3' G 6 -4.904 8.156 16.710 61 1H2* G 6 1H2' G 6 -4.729 5.774 18.107 62 2H2* G 6 2H2' G 6 -3.316 6.585 17.383 63 H1* G 6 H1' G 6 -5.065 4.441 16.104 64 H8 G 6 H8 G 6 -1.304 5.502 16.486 65 H1 G 6 H1 G 6 -2.357 -0.827 16.695 66 1H2 G 6 1H2 G 6 -5.750 0.072 16.500 67 2H2 G 6 2H2 G 6 -4.591 -1.227 16.677 68 1H5* A 7 1H5' A 7 -7.998 4.561 16.923 69 2H5* A 7 2H5' A 7 -9.281 4.982 18.077 70 H4* A 7 H4' A 7 -8.746 2.588 18.159 71 H3* A 7 H3' A 7 -8.772 4.299 20.477 72 1H2* A 7 1H2' A 7 -7.058 2.530 21.733 73 2H2* A 7 2H2' A 7 -6.497 4.002 20.900 74 H1* A 7 H1' A 7 -6.763 1.203 19.715 75 H8 A 7 H8 A 7 -4.350 4.301 19.837 76 1H6 A 7 1H6 A 7 0.235 0.150 19.774 77 2H6 A 7 2H6 A 7 -0.175 1.851 19.843 78 H2 A 7 H2 A 7 -3.646 -2.084 19.777 79 1H5* A 8 1H5' A 8 -9.005 -0.388 20.693 80 2H5* A 8 2H5' A 8 -10.104 -0.904 21.988 81 H4* A 8 H4' A 8 -8.168 -2.409 21.738 82 H3* A 8 H3' A 8 -8.989 -1.257 24.248 83 1H2* A 8 1H2' A 8 -6.409 -1.552 25.182 84 2H2* A 8 2H2' A 8 -6.993 -0.028 24.459 85 H1* A 8 H1' A 8 -5.651 -2.342 22.995 86 H8 A 8 H8 A 8 -5.500 1.579 23.263 87 1H6 A 8 1H6 A 8 0.641 0.840 22.882 88 2H6 A 8 2H6 A 8 -0.667 1.992 23.069 89 H2 A 8 H2 A 8 -1.260 -3.215 22.795 90 1H5* G 9 1H5' G 9 -6.173 -5.078 23.783 91 2H5* G 9 2H5' G 9 -6.710 -6.262 24.990 92 H4* G 9 H4' G 9 -4.318 -6.475 24.556 93 H3* G 9 H3' G 9 -5.426 -6.241 27.168 94 1H2* G 9 1H2' G 9 -3.178 -4.999 28.110 95 2H2* G 9 2H2' G 9 -4.544 -4.053 27.465 96 H1* G 9 H1' G 9 -2.127 -5.059 25.893 97 H8 G 9 H8 G 9 -4.319 -1.828 26.269 98 H1 G 9 H1 G 9 2.016 -0.804 25.985 99 1H2 G 9 1H2 G 9 2.229 -4.322 26.119 100 2H2 G 9 2H2 G 9 3.109 -2.812 26.112 101 1H5* C 10 1H5' C 10 -0.863 -7.608 26.430 102 2H5* C 10 2H5' C 10 -0.606 -8.995 27.507 103 H4* C 10 H4' C 10 1.470 -7.723 27.192 104 H3* C 10 H3' C 10 0.426 -8.451 29.751 105 1H2* C 10 1H2' C 10 1.662 -6.286 30.887 106 2H2* C 10 2H2' C 10 -0.057 -6.247 30.397 107 H1* C 10 H1' C 10 2.374 -5.404 28.751 108 1H4 C 10 1H4 C 10 -1.607 -0.019 29.423 109 2H4 C 10 2H4 C 10 0.049 0.551 29.369 110 H5 C 10 H5 C 10 -2.174 -2.431 29.421 111 H6 C 10 H6 C 10 -1.251 -4.649 29.219 112 H3T C 10 3HO' C 10 2.995 -7.487 29.000 113 1H5* G 1 1H5' G 1 8.465 7.447 28.536 114 2H5* G 1 2H5' G 1 6.924 6.658 28.146 115 H4* G 1 H4' G 1 9.205 5.411 29.758 116 H3* G 1 H3' G 1 9.390 5.742 27.062 117 1H2* G 1 1H2' G 1 8.132 3.488 26.233 118 2H2* G 1 2H2' G 1 7.170 4.933 26.608 119 H1* G 1 H1' G 1 7.774 2.552 28.380 120 H8 G 1 H8 G 1 4.980 5.222 27.706 121 H1 G 1 H1 G 1 2.829 -0.719 28.864 122 1H2 G 1 1H2 G 1 6.234 -1.580 28.948 123 2H2 G 1 2H2 G 1 4.577 -2.139 29.051 124 H5T G 1 H5' G 1 7.954 7.152 30.743 125 1H5* C 2 1H5' C 2 11.136 0.921 25.167 126 2H5* C 2 2H5' C 2 9.580 1.683 24.761 127 H4* C 2 H4' C 2 9.983 -0.792 26.506 128 H3* C 2 H3' C 2 9.998 -0.649 23.714 129 1H2* C 2 1H2' C 2 7.427 -1.425 23.388 130 2H2* C 2 2H2' C 2 7.861 0.292 23.544 131 H1* C 2 H1' C 2 7.019 -1.627 25.758 132 1H4 C 2 1H4 C 2 2.406 3.197 24.707 133 2H4 C 2 2H4 C 2 1.553 1.715 25.094 134 H5 C 2 H5 C 2 4.896 3.303 24.650 135 H6 C 2 H6 C 2 6.920 1.987 24.913 136 1H5* T 3 1H5' T 3 7.593 -4.234 25.689 137 2H5* T 3 2H5' T 3 8.122 -5.721 24.879 138 H4* T 3 H4' T 3 5.810 -5.827 25.576 139 H3* T 3 H3' T 3 6.715 -6.321 22.881 140 1H2* T 3 1H2' T 3 4.145 -5.926 21.991 141 2H2* T 3 2H2' T 3 5.484 -4.754 21.860 142 H1* T 3 H1' T 3 3.373 -4.938 24.021 143 H3 T 3 H3 T 3 1.059 -1.304 22.565 144 1H5M T 3 1H5M T 3 4.990 0.459 20.649 145 2H5M T 3 2H5M T 3 5.515 0.817 22.304 146 3H5M T 3 3H5M T 3 6.292 -0.490 21.383 147 H6 T 3 H6 T 3 5.709 -2.474 22.508 148 1H5* T 4 1H5' T 4 1.164 -7.229 24.726 149 2H5* T 4 2H5' T 4 1.248 -8.891 24.115 150 H4* T 4 H4' T 4 -0.636 -7.596 23.238 151 H3* T 4 H3' T 4 1.266 -8.998 21.485 152 1H2* T 4 1H2' T 4 -0.025 -7.481 19.481 153 2H2* T 4 2H2' T 4 1.594 -7.189 20.139 154 H1* T 4 H1' T 4 -1.072 -6.075 21.083 155 H3 T 4 H3 T 4 -0.674 -1.869 19.398 156 1H5M T 4 1H5M T 4 4.036 -2.105 19.522 157 2H5M T 4 2H5M T 4 4.356 -3.766 20.050 158 3H5M T 4 3H5M T 4 3.926 -3.439 18.362 159 H6 T 4 H6 T 4 2.544 -5.245 20.510 160 1H5* C 5 1H5' C 5 -3.182 -8.049 21.036 161 2H5* C 5 2H5' C 5 -4.108 -9.304 20.192 162 H4* C 5 H4' C 5 -4.996 -7.031 19.844 163 H3* C 5 H3' C 5 -4.374 -8.876 17.674 164 1H2* C 5 1H2' C 5 -4.419 -6.638 16.019 165 2H2* C 5 2H2' C 5 -2.932 -7.380 16.655 166 H1* C 5 H1' C 5 -4.579 -5.155 17.884 167 1H4 C 5 1H4 C 5 1.415 -2.610 16.115 168 2H4 C 5 2H4 C 5 0.238 -1.312 16.078 169 H5 C 5 H5 C 5 0.793 -4.922 16.809 170 H6 C 5 H6 C 5 -1.041 -6.327 17.492 171 1H5* T 6 1H5' T 6 -8.562 -6.525 14.602 172 2H5* T 6 2H5' T 6 -6.877 -6.307 14.074 173 H4* T 6 H4' T 6 -8.667 -4.226 15.408 174 H3* T 6 H3' T 6 -8.565 -4.963 12.721 175 1H2* T 6 1H2' T 6 -6.945 -2.944 11.937 176 2H2* T 6 2H2' T 6 -6.252 -4.485 12.502 177 H1* T 6 H1' T 6 -6.773 -1.984 14.154 178 H3 T 6 H3 T 6 -2.432 -0.689 13.300 179 1H5M T 6 1H5M T 6 -1.918 -5.693 12.823 180 2H5M T 6 2H5M T 6 -0.863 -5.048 14.095 181 3H5M T 6 3H5M T 6 -2.329 -5.942 14.532 182 H6 T 6 H6 T 6 -4.508 -4.918 14.258 183 1H5* C 7 1H5' C 7 -8.966 -0.234 13.545 184 2H5* C 7 2H5' C 7 -10.318 0.279 12.515 185 H4* C 7 H4' C 7 -8.631 2.043 12.687 186 H3* C 7 H3' C 7 -9.685 1.086 10.222 187 1H2* C 7 1H2' C 7 -7.344 1.683 8.911 188 2H2* C 7 2H2' C 7 -7.686 0.065 9.563 189 H1* C 7 H1' C 7 -6.252 2.368 10.957 190 1H4 C 7 1H4 C 7 -1.868 -2.693 10.075 191 2H4 C 7 2H4 C 7 -0.954 -1.199 10.091 192 H5 C 7 H5 C 7 -4.336 -2.733 10.327 193 H6 C 7 H6 C 7 -6.290 -1.351 10.631 194 1H5* T 8 1H5' T 8 -7.044 5.055 10.362 195 2H5* T 8 2H5' T 8 -7.834 6.246 9.308 196 H4* T 8 H4' T 8 -5.418 6.491 9.228 197 H3* T 8 H3' T 8 -7.038 6.100 6.865 198 1H2* T 8 1H2' T 8 -4.756 5.226 5.565 199 2H2* T 8 2H2' T 8 -5.973 4.133 6.264 200 H1* T 8 H1' T 8 -3.465 5.229 7.599 201 H3 T 8 H3 T 8 -0.919 1.477 7.024 202 1H5M T 8 1H5M T 8 -6.037 -0.156 7.638 203 2H5M T 8 2H5M T 8 -5.382 -0.569 6.041 204 3H5M T 8 3H5M T 8 -4.691 -1.299 7.502 205 H6 T 8 H6 T 8 -5.648 2.201 7.408 206 1H5* T 9 1H5' T 9 -2.757 8.043 6.882 207 2H5* T 9 2H5' T 9 -2.699 9.384 5.720 208 H4* T 9 H4' T 9 -0.549 8.192 5.897 209 H3* T 9 H3' T 9 -1.903 8.718 3.392 210 1H2* T 9 1H2' T 9 -0.440 6.633 2.293 211 2H2* T 9 2H2' T 9 -2.115 6.469 2.865 212 H1* T 9 H1' T 9 0.445 5.995 4.436 213 H3 T 9 H3 T 9 0.403 1.432 4.077 214 1H5M T 9 1H5M T 9 -4.745 3.064 4.276 215 2H5M T 9 2H5M T 9 -4.363 2.272 2.734 216 3H5M T 9 3H5M T 9 -4.296 1.352 4.250 217 H6 T 9 H6 T 9 -3.059 4.760 4.044 218 1H5* C 10 1H5' C 10 3.007 8.683 0.554 219 2H5* C 10 2H5' C 10 1.849 7.367 0.249 220 H4* C 10 H4' C 10 4.443 7.196 1.860 221 H3* C 10 H3' C 10 4.186 7.066 -0.907 222 1H2* C 10 1H2' C 10 4.150 4.366 -1.082 223 2H2* C 10 2H2' C 10 2.625 5.289 -0.917 224 H1* C 10 H1' C 10 4.277 3.990 1.290 225 1H4 C 10 1H4 C 10 -1.905 1.326 0.868 226 2H4 C 10 2H4 C 10 -0.763 -0.002 0.937 227 H5 C 10 H5 C 10 -1.163 3.701 0.873 228 H6 C 10 H6 C 10 0.780 5.146 0.935 229 H3T C 10 3HO' C 10 6.055 5.720 -0.783 Start of MODEL 5 1 1H5* G 1 1H5' G 1 6.157 -11.579 3.575 2 2H5* G 1 2H5' G 1 4.681 -10.589 3.593 3 H4* G 1 H4' G 1 7.345 -9.754 2.344 4 H3* G 1 H3' G 1 6.847 -9.830 5.078 5 1H2* G 1 1H2' G 1 6.111 -7.233 5.329 6 2H2* G 1 2H2' G 1 4.887 -8.464 4.921 7 H1* G 1 H1' G 1 6.488 -6.732 2.993 8 H8 G 1 H8 G 1 2.875 -8.185 3.490 9 H1 G 1 H1 G 1 3.079 -2.060 1.556 10 1H2 G 1 1H2 G 1 6.570 -2.483 1.755 11 2H2 G 1 2H2 G 1 5.249 -1.386 1.416 12 H5T G 1 H5' G 1 4.747 -12.072 1.850 13 1H5* A 2 1H5' A 2 9.111 -5.939 3.341 14 2H5* A 2 2H5' A 2 10.491 -5.692 4.430 15 H4* A 2 H4' A 2 9.678 -3.556 3.622 16 H3* A 2 H3' A 2 10.046 -4.131 6.376 17 1H2* A 2 1H2' A 2 7.999 -2.476 7.121 18 2H2* A 2 2H2' A 2 7.715 -4.207 6.811 19 H1* A 2 H1' A 2 7.463 -1.918 4.810 20 H8 A 2 H8 A 2 5.626 -5.162 6.015 21 1H6 A 2 1H6 A 2 1.096 -3.598 5.369 22 2H6 A 2 2H6 A 2 0.399 -2.100 4.785 23 H2 A 2 H2 A 2 3.838 0.648 3.951 24 1H5* A 3 1H5' A 3 9.113 0.307 4.875 25 2H5* A 3 2H5' A 3 10.208 1.386 5.762 26 H4* A 3 H4' A 3 8.108 2.495 5.327 27 H3* A 3 H3' A 3 9.200 2.222 7.983 28 1H2* A 3 1H2' A 3 6.656 2.579 9.003 29 2H2* A 3 2H2' A 3 7.383 0.971 8.753 30 H1* A 3 H1' A 3 5.629 2.524 6.807 31 H8 A 3 H8 A 3 6.167 -1.070 8.285 32 1H6 A 3 1H6 A 3 1.527 -2.412 8.368 33 2H6 A 3 2H6 A 3 0.028 -1.648 7.875 34 H2 A 3 H2 A 3 1.118 2.464 6.474 35 1H5* G 4 1H5' G 4 6.039 5.514 6.722 36 2H5* G 4 2H5' G 4 6.401 7.032 7.569 37 H4* G 4 H4' G 4 3.985 6.711 7.258 38 H3* G 4 H3' G 4 5.206 7.286 9.805 39 1H2* G 4 1H2' G 4 3.023 6.138 11.049 40 2H2* G 4 2H2' G 4 4.529 5.238 10.727 41 H1* G 4 H1' G 4 2.083 5.418 8.915 42 H8 G 4 H8 G 4 4.671 2.796 10.274 43 H1 G 4 H1 G 4 -1.417 0.764 10.070 44 1H2 G 4 1H2 G 4 -2.100 4.024 8.939 45 2H2 G 4 2H2 G 4 -2.763 2.475 9.410 46 1H5* A 5 1H5' A 5 0.591 7.873 8.897 47 2H5* A 5 2H5' A 5 0.077 9.407 9.628 48 H4* A 5 H4' A 5 -1.722 7.752 9.677 49 H3* A 5 H3' A 5 -0.810 9.180 12.000 50 1H2* A 5 1H2' A 5 -1.765 7.134 13.595 51 2H2* A 5 2H2' A 5 -0.063 7.243 13.075 52 H1* A 5 H1' A 5 -2.320 5.741 11.675 53 H8 A 5 H8 A 5 1.461 5.376 12.665 54 1H6 A 5 1H6 A 5 0.106 -0.526 13.885 55 2H6 A 5 2H6 A 5 1.347 0.710 13.896 56 H2 A 5 H2 A 5 -3.674 1.515 12.601 57 1H5* G 6 1H5' G 6 -4.976 6.929 11.871 58 2H5* G 6 2H5' G 6 -6.190 7.934 12.689 59 H4* G 6 H4' G 6 -6.594 5.554 13.090 60 H3* G 6 H3' G 6 -6.280 7.490 15.236 61 1H2* G 6 1H2' G 6 -5.767 5.327 16.899 62 2H2* G 6 2H2' G 6 -4.487 6.333 16.171 63 H1* G 6 H1' G 6 -5.694 3.786 15.014 64 H8 G 6 H8 G 6 -2.214 5.548 15.453 65 H1 G 6 H1 G 6 -2.235 -0.758 16.668 66 1H2 G 6 1H2 G 6 -5.701 -0.503 16.113 67 2H2 G 6 2H2 G 6 -4.371 -1.539 16.583 68 1H5* A 7 1H5' A 7 -8.556 3.364 15.654 69 2H5* A 7 2H5' A 7 -10.018 3.631 16.627 70 H4* A 7 H4' A 7 -9.076 1.410 17.044 71 H3* A 7 H3' A 7 -9.617 3.332 19.139 72 1H2* A 7 1H2' A 7 -7.820 1.946 20.725 73 2H2* A 7 2H2' A 7 -7.392 3.421 19.821 74 H1* A 7 H1' A 7 -7.094 0.536 18.881 75 H8 A 7 H8 A 7 -5.207 3.976 18.782 76 1H6 A 7 1H6 A 7 -0.081 0.684 19.826 77 2H6 A 7 2H6 A 7 -0.752 2.281 19.581 78 H2 A 7 H2 A 7 -3.559 -2.147 19.815 79 1H5* A 8 1H5' A 8 -9.231 -1.307 19.913 80 2H5* A 8 2H5' A 8 -10.413 -1.812 21.137 81 H4* A 8 H4' A 8 -8.296 -3.050 21.333 82 H3* A 8 H3' A 8 -9.554 -1.670 23.535 83 1H2* A 8 1H2' A 8 -7.084 -1.526 24.771 84 2H2* A 8 2H2' A 8 -7.755 -0.194 23.794 85 H1* A 8 H1' A 8 -5.958 -2.456 22.814 86 H8 A 8 H8 A 8 -6.416 1.435 22.512 87 1H6 A 8 1H6 A 8 -0.244 1.697 22.811 88 2H6 A 8 2H6 A 8 -1.729 2.622 22.702 89 H2 A 8 H2 A 8 -1.462 -2.598 23.169 90 1H5* G 9 1H5' G 9 -6.283 -5.052 23.984 91 2H5* G 9 2H5' G 9 -6.772 -6.123 25.312 92 H4* G 9 H4' G 9 -4.347 -5.979 25.155 93 H3* G 9 H3' G 9 -5.789 -5.523 27.578 94 1H2* G 9 1H2' G 9 -3.851 -3.822 28.494 95 2H2* G 9 2H2' G 9 -5.250 -3.209 27.577 96 H1* G 9 H1' G 9 -2.564 -4.076 26.416 97 H8 G 9 H8 G 9 -5.159 -1.140 26.154 98 H1 G 9 H1 G 9 1.017 0.643 26.124 99 1H2 G 9 1H2 G 9 1.630 -2.781 26.675 100 2H2 G 9 2H2 G 9 2.326 -1.182 26.538 101 1H5* C 10 1H5' C 10 -1.082 -6.325 27.386 102 2H5* C 10 2H5' C 10 -0.715 -7.477 28.686 103 H4* C 10 H4' C 10 1.189 -5.990 28.223 104 H3* C 10 H3' C 10 0.171 -6.506 30.826 105 1H2* C 10 1H2' C 10 0.910 -4.022 31.694 106 2H2* C 10 2H2' C 10 -0.746 -4.346 31.102 107 H1* C 10 H1' C 10 1.648 -3.338 29.498 108 1H4 C 10 1H4 C 10 -3.148 1.376 29.165 109 2H4 C 10 2H4 C 10 -1.598 2.191 29.105 110 H5 C 10 H5 C 10 -3.340 -1.075 29.492 111 H6 C 10 H6 C 10 -2.075 -3.121 29.667 112 H3T C 10 3HO' C 10 2.301 -5.878 31.413 113 1H5* G 1 1H5' G 1 4.528 9.227 27.648 114 2H5* G 1 2H5' G 1 4.451 9.703 29.353 115 H4* G 1 H4' G 1 6.610 8.535 29.778 116 H3* G 1 H3' G 1 7.144 8.454 27.098 117 1H2* G 1 1H2' G 1 6.284 5.953 26.534 118 2H2* G 1 2H2' G 1 5.105 7.283 26.549 119 H1* G 1 H1' G 1 5.777 5.332 28.770 120 H8 G 1 H8 G 1 2.740 7.410 27.414 121 H1 G 1 H1 G 1 1.390 1.338 29.017 122 1H2 G 1 1H2 G 1 4.849 1.077 29.591 123 2H2 G 1 2H2 G 1 3.302 0.257 29.567 124 H5T G 1 H5' G 1 6.502 10.375 27.519 125 1H5* C 2 1H5' C 2 9.753 3.703 26.380 126 2H5* C 2 2H5' C 2 8.185 4.070 25.628 127 H4* C 2 H4' C 2 8.708 2.054 27.866 128 H3* C 2 H3' C 2 9.206 1.721 25.160 129 1H2* C 2 1H2' C 2 6.887 0.494 24.532 130 2H2* C 2 2H2' C 2 7.027 2.268 24.473 131 H1* C 2 H1' C 2 6.039 0.547 26.776 132 1H4 C 2 1H4 C 2 1.086 4.526 24.497 133 2H4 C 2 2H4 C 2 0.372 2.988 24.937 134 H5 C 2 H5 C 2 3.527 4.964 24.735 135 H6 C 2 H6 C 2 5.638 3.978 25.420 136 1H5* T 3 1H5' T 3 6.876 -2.026 27.107 137 2H5* T 3 2H5' T 3 7.787 -3.459 26.586 138 H4* T 3 H4' T 3 5.410 -3.948 26.589 139 H3* T 3 H3' T 3 7.069 -4.289 24.251 140 1H2* T 3 1H2' T 3 4.789 -4.129 22.702 141 2H2* T 3 2H2' T 3 5.868 -2.743 22.994 142 H1* T 3 H1' T 3 3.424 -3.565 24.612 143 H3 T 3 H3 T 3 0.546 -0.532 22.752 144 1H5M T 3 1H5M T 3 4.611 1.687 21.155 145 2H5M T 3 2H5M T 3 4.069 2.653 22.540 146 3H5M T 3 3H5M T 3 5.525 1.650 22.674 147 H6 T 3 H6 T 3 5.296 -0.571 23.418 148 1H5* T 4 1H5' T 4 2.907 -6.493 24.834 149 2H5* T 4 2H5' T 4 3.034 -8.143 24.189 150 H4* T 4 H4' T 4 0.804 -7.179 23.804 151 H3* T 4 H3' T 4 2.458 -8.290 21.688 152 1H2* T 4 1H2' T 4 0.862 -6.862 19.921 153 2H2* T 4 2H2' T 4 2.468 -6.327 20.466 154 H1* T 4 H1' T 4 -0.230 -5.686 21.723 155 H3 T 4 H3 T 4 -0.624 -1.518 19.863 156 1H5M T 4 1H5M T 4 4.021 -0.842 20.088 157 2H5M T 4 2H5M T 4 4.631 -2.362 20.763 158 3H5M T 4 3H5M T 4 4.293 -2.236 19.024 159 H6 T 4 H6 T 4 3.148 -4.234 21.069 160 1H5* C 5 1H5' C 5 -2.214 -7.850 21.463 161 2H5* C 5 2H5' C 5 -2.924 -9.248 20.629 162 H4* C 5 H4' C 5 -4.127 -7.169 20.116 163 H3* C 5 H3' C 5 -3.048 -8.932 18.073 164 1H2* C 5 1H2' C 5 -3.229 -6.778 16.338 165 2H2* C 5 2H2' C 5 -1.725 -7.259 17.159 166 H1* C 5 H1' C 5 -3.819 -5.289 18.162 167 1H4 C 5 1H4 C 5 1.813 -1.923 16.563 168 2H4 C 5 2H4 C 5 0.451 -0.849 16.314 169 H5 C 5 H5 C 5 1.515 -4.240 17.431 170 H6 C 5 H6 C 5 -0.123 -5.870 18.119 171 1H5* T 6 1H5' T 6 -6.563 -5.867 17.441 172 2H5* T 6 2H5' T 6 -7.810 -6.613 16.420 173 H4* T 6 H4' T 6 -7.641 -4.194 16.033 174 H3* T 6 H3' T 6 -7.492 -6.168 13.920 175 1H2* T 6 1H2' T 6 -6.221 -4.256 12.377 176 2H2* T 6 2H2' T 6 -5.351 -5.514 13.284 177 H1* T 6 H1' T 6 -6.086 -2.719 14.258 178 H3 T 6 H3 T 6 -2.013 -0.921 13.175 179 1H5M T 6 1H5M T 6 -1.131 -5.939 14.987 180 2H5M T 6 2H5M T 6 -0.631 -5.742 13.295 181 3H5M T 6 3H5M T 6 0.195 -4.837 14.579 182 H6 T 6 H6 T 6 -3.411 -5.295 14.577 183 1H5* C 7 1H5' C 7 -8.667 -1.631 13.391 184 2H5* C 7 2H5' C 7 -10.079 -1.581 12.316 185 H4* C 7 H4' C 7 -8.735 0.449 12.123 186 H3* C 7 H3' C 7 -9.596 -1.097 9.899 187 1H2* C 7 1H2' C 7 -7.377 -0.386 8.435 188 2H2* C 7 2H2' C 7 -7.442 -1.886 9.392 189 H1* C 7 H1' C 7 -6.428 0.845 10.242 190 1H4 C 7 1H4 C 7 -1.206 -3.424 10.424 191 2H4 C 7 2H4 C 7 -0.573 -1.807 10.184 192 H5 C 7 H5 C 7 -3.644 -3.862 10.646 193 H6 C 7 H6 C 7 -5.819 -2.824 10.665 194 1H5* T 8 1H5' T 8 -8.913 2.917 6.082 195 2H5* T 8 2H5' T 8 -7.805 1.526 6.060 196 H4* T 8 H4' T 8 -7.140 4.393 6.888 197 H3* T 8 H3' T 8 -7.334 3.410 4.307 198 1H2* T 8 1H2' T 8 -4.705 2.817 3.985 199 2H2* T 8 2H2' T 8 -5.823 1.610 4.666 200 H1* T 8 H1' T 8 -4.069 3.594 6.160 201 H3 T 8 H3 T 8 -0.834 0.386 6.752 202 1H5M T 8 1H5M T 8 -4.850 -2.598 6.056 203 2H5M T 8 2H5M T 8 -4.064 -2.908 7.615 204 3H5M T 8 3H5M T 8 -5.593 -2.015 7.558 205 H6 T 8 H6 T 8 -5.637 0.269 6.749 206 1H5* T 9 1H5' T 9 -3.575 6.232 5.182 207 2H5* T 9 2H5' T 9 -3.549 7.421 3.864 208 H4* T 9 H4' T 9 -1.288 6.881 4.653 209 H3* T 9 H3' T 9 -2.068 6.877 1.916 210 1H2* T 9 1H2' T 9 -0.228 4.917 1.317 211 2H2* T 9 2H2' T 9 -1.926 4.551 1.691 212 H1* T 9 H1' T 9 0.431 4.670 3.610 213 H3 T 9 H3 T 9 1.020 0.161 4.115 214 1H5M T 9 1H5M T 9 -4.081 0.972 2.433 215 2H5M T 9 2H5M T 9 -3.288 -0.608 2.327 216 3H5M T 9 3H5M T 9 -3.902 -0.034 3.888 217 H6 T 9 H6 T 9 -2.753 2.859 2.883 218 1H5* C 10 1H5' C 10 3.126 7.122 -0.167 219 2H5* C 10 2H5' C 10 2.114 5.680 -0.425 220 H4* C 10 H4' C 10 4.514 5.910 1.453 221 H3* C 10 H3' C 10 4.546 5.454 -1.315 222 1H2* C 10 1H2' C 10 4.889 2.772 -1.107 223 2H2* C 10 2H2' C 10 3.253 3.487 -1.239 224 H1* C 10 H1' C 10 4.762 2.743 1.304 225 1H4 C 10 1H4 C 10 -0.883 -0.885 0.670 226 2H4 C 10 2H4 C 10 0.414 -1.995 1.071 227 H5 C 10 H5 C 10 -0.480 1.547 0.341 228 H6 C 10 H6 C 10 1.219 3.272 0.370 229 H3T C 10 3HO' C 10 6.186 4.252 0.684 Start of MODEL 6 1 1H5* G 1 1H5' G 1 7.214 -11.289 3.876 2 2H5* G 1 2H5' G 1 5.652 -10.441 3.915 3 H4* G 1 H4' G 1 8.175 -9.416 2.524 4 H3* G 1 H3' G 1 7.789 -9.417 5.278 5 1H2* G 1 1H2' G 1 6.820 -6.890 5.452 6 2H2* G 1 2H2' G 1 5.706 -8.248 5.149 7 H1* G 1 H1' G 1 7.057 -6.462 3.084 8 H8 G 1 H8 G 1 3.628 -8.237 3.787 9 H1 G 1 H1 G 1 3.145 -2.209 1.615 10 1H2 G 1 1H2 G 1 6.664 -2.270 1.690 11 2H2 G 1 2H2 G 1 5.225 -1.327 1.365 12 H5T G 1 H5' G 1 5.792 -11.987 2.233 13 1H5* A 2 1H5' A 2 9.578 -5.406 3.286 14 2H5* A 2 2H5' A 2 10.981 -4.998 4.293 15 H4* A 2 H4' A 2 9.960 -2.969 3.467 16 H3* A 2 H3' A 2 10.469 -3.427 6.222 17 1H2* A 2 1H2' A 2 8.322 -1.911 6.987 18 2H2* A 2 2H2' A 2 8.169 -3.671 6.749 19 H1* A 2 H1' A 2 7.656 -1.484 4.684 20 H8 A 2 H8 A 2 6.145 -4.829 6.056 21 1H6 A 2 1H6 A 2 0.633 -2.283 4.898 22 2H6 A 2 2H6 A 2 1.480 -3.686 5.513 23 H2 A 2 H2 A 2 3.792 0.729 3.867 24 1H5* A 3 1H5' A 3 9.199 0.915 4.649 25 2H5* A 3 2H5' A 3 10.236 2.081 5.495 26 H4* A 3 H4' A 3 8.053 3.034 5.096 27 H3* A 3 H3' A 3 9.225 2.887 7.724 28 1H2* A 3 1H2' A 3 6.691 3.042 8.818 29 2H2* A 3 2H2' A 3 7.535 1.494 8.550 30 H1* A 3 H1' A 3 5.621 2.904 6.645 31 H8 A 3 H8 A 3 6.427 -0.618 8.178 32 1H6 A 3 1H6 A 3 0.327 -1.589 7.923 33 2H6 A 3 2H6 A 3 1.880 -2.243 8.401 34 H2 A 3 H2 A 3 1.133 2.543 6.382 35 1H5* G 4 1H5' G 4 5.743 5.884 6.542 36 2H5* G 4 2H5' G 4 6.010 7.434 7.367 37 H4* G 4 H4' G 4 3.622 6.923 7.154 38 H3* G 4 H3' G 4 4.893 7.558 9.676 39 1H2* G 4 1H2' G 4 2.772 6.304 10.941 40 2H2* G 4 2H2' G 4 4.325 5.491 10.612 41 H1* G 4 H1' G 4 1.863 5.526 8.813 42 H8 G 4 H8 G 4 4.615 3.043 10.104 43 H1 G 4 H1 G 4 -1.377 0.732 10.155 44 1H2 G 4 1H2 G 4 -2.257 3.960 9.061 45 2H2 G 4 2H2 G 4 -2.829 2.383 9.557 46 1H5* A 5 1H5' A 5 0.238 7.924 8.868 47 2H5* A 5 2H5' A 5 -0.315 9.445 9.597 48 H4* A 5 H4' A 5 -2.057 7.749 9.701 49 H3* A 5 H3' A 5 -1.114 9.188 12.008 50 1H2* A 5 1H2' A 5 -2.004 7.118 13.612 51 2H2* A 5 2H2' A 5 -0.314 7.261 13.062 52 H1* A 5 H1' A 5 -2.567 5.721 11.700 53 H8 A 5 H8 A 5 1.249 5.407 12.564 54 1H6 A 5 1H6 A 5 -0.009 -0.498 13.883 55 2H6 A 5 2H6 A 5 1.222 0.747 13.837 56 H2 A 5 H2 A 5 -3.850 1.501 12.722 57 1H5* G 6 1H5' G 6 -5.252 6.882 11.967 58 2H5* G 6 2H5' G 6 -6.459 7.879 12.806 59 H4* G 6 H4' G 6 -6.835 5.497 13.221 60 H3* G 6 H3' G 6 -6.500 7.443 15.352 61 1H2* G 6 1H2' G 6 -5.919 5.299 17.016 62 2H2* G 6 2H2' G 6 -4.669 6.315 16.251 63 H1* G 6 H1' G 6 -5.872 3.745 15.141 64 H8 G 6 H8 G 6 -2.402 5.550 15.484 65 H1 G 6 H1 G 6 -2.323 -0.751 16.724 66 1H2 G 6 1H2 G 6 -5.806 -0.533 16.263 67 2H2 G 6 2H2 G 6 -4.455 -1.555 16.698 68 1H5* A 7 1H5' A 7 -8.713 3.288 15.844 69 2H5* A 7 2H5' A 7 -10.156 3.543 16.848 70 H4* A 7 H4' A 7 -9.177 1.338 17.260 71 H3* A 7 H3' A 7 -9.689 3.272 19.353 72 1H2* A 7 1H2' A 7 -7.846 1.905 20.906 73 2H2* A 7 2H2' A 7 -7.452 3.381 19.988 74 H1* A 7 H1' A 7 -7.147 0.496 19.051 75 H8 A 7 H8 A 7 -5.296 3.954 18.895 76 1H6 A 7 1H6 A 7 -0.115 0.715 19.826 77 2H6 A 7 2H6 A 7 -0.807 2.304 19.589 78 H2 A 7 H2 A 7 -3.565 -2.149 19.913 79 1H5* A 8 1H5' A 8 -9.248 -1.357 20.149 80 2H5* A 8 2H5' A 8 -10.398 -1.863 21.404 81 H4* A 8 H4' A 8 -8.267 -3.081 21.565 82 H3* A 8 H3' A 8 -9.484 -1.687 23.781 83 1H2* A 8 1H2' A 8 -6.987 -1.517 24.958 84 2H2* A 8 2H2' A 8 -7.690 -0.198 23.986 85 H1* A 8 H1' A 8 -5.902 -2.456 22.983 86 H8 A 8 H8 A 8 -6.393 1.429 22.658 87 1H6 A 8 1H6 A 8 -0.217 1.736 22.817 88 2H6 A 8 2H6 A 8 -1.711 2.649 22.731 89 H2 A 8 H2 A 8 -1.397 -2.565 23.238 90 1H5* G 9 1H5' G 9 -6.183 -5.044 24.191 91 2H5* G 9 2H5' G 9 -6.637 -6.103 25.541 92 H4* G 9 H4' G 9 -4.217 -5.947 25.332 93 H3* G 9 H3' G 9 -5.610 -5.468 27.779 94 1H2* G 9 1H2' G 9 -3.661 -3.747 28.633 95 2H2* G 9 2H2' G 9 -5.083 -3.152 27.739 96 H1* G 9 H1' G 9 -2.419 -4.020 26.531 97 H8 G 9 H8 G 9 -5.032 -1.099 26.287 98 H1 G 9 H1 G 9 1.133 0.710 26.120 99 1H2 G 9 1H2 G 9 1.772 -2.705 26.696 100 2H2 G 9 2H2 G 9 2.458 -1.105 26.529 101 1H5* C 10 1H5' C 10 -0.902 -6.243 27.504 102 2H5* C 10 2H5' C 10 -0.502 -7.375 28.812 103 H4* C 10 H4' C 10 1.382 -5.880 28.295 104 H3* C 10 H3' C 10 0.411 -6.367 30.925 105 1H2* C 10 1H2' C 10 1.158 -3.870 31.744 106 2H2* C 10 2H2' C 10 -0.509 -4.209 31.190 107 H1* C 10 H1' C 10 1.848 -3.212 29.523 108 1H4 C 10 1H4 C 10 -2.977 1.476 29.226 109 2H4 C 10 2H4 C 10 -1.432 2.298 29.125 110 H5 C 10 H5 C 10 -3.150 -0.971 29.587 111 H6 C 10 H6 C 10 -1.873 -3.010 29.764 112 H3T C 10 3HO' C 10 2.573 -6.595 30.162 113 1H5* G 1 1H5' G 1 5.970 10.356 27.908 114 2H5* G 1 2H5' G 1 4.588 9.309 27.533 115 H4* G 1 H4' G 1 6.784 8.692 29.570 116 H3* G 1 H3' G 1 7.260 8.557 26.892 117 1H2* G 1 1H2' G 1 6.379 6.046 26.388 118 2H2* G 1 2H2' G 1 5.208 7.382 26.399 119 H1* G 1 H1' G 1 5.914 5.477 28.647 120 H8 G 1 H8 G 1 2.844 7.531 27.327 121 H1 G 1 H1 G 1 1.555 1.462 28.993 122 1H2 G 1 1H2 G 1 5.025 1.224 29.509 123 2H2 G 1 2H2 G 1 3.482 0.395 29.518 124 H5T G 1 H5' G 1 5.236 10.399 30.071 125 1H5* C 2 1H5' C 2 9.859 3.805 26.181 126 2H5* C 2 2H5' C 2 8.273 4.156 25.460 127 H4* C 2 H4' C 2 8.858 2.165 27.705 128 H3* C 2 H3' C 2 9.295 1.810 24.993 129 1H2* C 2 1H2' C 2 6.968 0.571 24.425 130 2H2* C 2 2H2' C 2 7.100 2.345 24.350 131 H1* C 2 H1' C 2 6.167 0.637 26.685 132 1H4 C 2 1H4 C 2 1.160 4.589 24.478 133 2H4 C 2 2H4 C 2 0.459 3.050 24.936 134 H5 C 2 H5 C 2 3.603 5.036 24.671 135 H6 C 2 H6 C 2 5.729 4.060 25.324 136 1H5* T 3 1H5' T 3 7.016 -1.935 27.011 137 2H5* T 3 2H5' T 3 7.921 -3.367 26.478 138 H4* T 3 H4' T 3 5.547 -3.864 26.528 139 H3* T 3 H3' T 3 7.160 -4.205 24.158 140 1H2* T 3 1H2' T 3 4.848 -4.061 22.656 141 2H2* T 3 2H2' T 3 5.926 -2.670 22.921 142 H1* T 3 H1' T 3 3.521 -3.496 24.593 143 H3 T 3 H3 T 3 0.590 -0.485 22.781 144 1H5M T 3 1H5M T 3 4.619 1.740 21.091 145 2H5M T 3 2H5M T 3 4.089 2.716 22.473 146 3H5M T 3 3H5M T 3 5.554 1.725 22.597 147 H6 T 3 H6 T 3 5.353 -0.498 23.349 148 1H5* T 4 1H5' T 4 3.022 -6.432 24.832 149 2H5* T 4 2H5' T 4 3.145 -8.082 24.187 150 H4* T 4 H4' T 4 0.902 -7.130 23.845 151 H3* T 4 H3' T 4 2.519 -8.236 21.699 152 1H2* T 4 1H2' T 4 0.878 -6.820 19.963 153 2H2* T 4 2H2' T 4 2.492 -6.277 20.472 154 H1* T 4 H1' T 4 -0.182 -5.646 21.785 155 H3 T 4 H3 T 4 -0.636 -1.488 19.919 156 1H5M T 4 1H5M T 4 4.009 -0.784 20.047 157 2H5M T 4 2H5M T 4 4.640 -2.297 20.718 158 3H5M T 4 3H5M T 4 4.267 -2.183 18.985 159 H6 T 4 H6 T 4 3.174 -4.178 21.059 160 1H5* C 5 1H5' C 5 -2.159 -7.814 21.558 161 2H5* C 5 2H5' C 5 -2.875 -9.223 20.748 162 H4* C 5 H4' C 5 -4.105 -7.161 20.243 163 H3* C 5 H3' C 5 -3.052 -8.927 18.193 164 1H2* C 5 1H2' C 5 -3.257 -6.790 16.444 165 2H2* C 5 2H2' C 5 -1.742 -7.252 17.256 166 H1* C 5 H1' C 5 -3.844 -5.292 18.259 167 1H4 C 5 1H4 C 5 1.737 -1.876 16.592 168 2H4 C 5 2H4 C 5 0.361 -0.818 16.348 169 H5 C 5 H5 C 5 1.472 -4.192 17.470 170 H6 C 5 H6 C 5 -0.142 -5.837 18.180 171 1H5* T 6 1H5' T 6 -6.604 -5.868 17.580 172 2H5* T 6 2H5' T 6 -7.854 -6.657 16.596 173 H4* T 6 H4' T 6 -7.752 -4.252 16.145 174 H3* T 6 H3' T 6 -7.556 -6.273 14.084 175 1H2* T 6 1H2' T 6 -6.350 -4.367 12.484 176 2H2* T 6 2H2' T 6 -5.442 -5.585 13.409 177 H1* T 6 H1' T 6 -6.224 -2.782 14.312 178 H3 T 6 H3 T 6 -2.163 -0.915 13.301 179 1H5M T 6 1H5M T 6 -0.740 -5.735 13.374 180 2H5M T 6 2H5M T 6 0.092 -4.820 14.646 181 3H5M T 6 3H5M T 6 -1.219 -5.932 15.071 182 H6 T 6 H6 T 6 -3.511 -5.318 14.663 183 1H5* C 7 1H5' C 7 -8.869 -1.792 13.287 184 2H5* C 7 2H5' C 7 -10.182 -1.791 12.091 185 H4* C 7 H4' C 7 -8.735 0.181 11.856 186 H3* C 7 H3' C 7 -9.395 -1.590 9.681 187 1H2* C 7 1H2' C 7 -7.100 -0.765 8.388 188 2H2* C 7 2H2' C 7 -7.185 -2.252 9.362 189 H1* C 7 H1' C 7 -6.405 0.536 10.313 190 1H4 C 7 1H4 C 7 -0.953 -3.444 10.527 191 2H4 C 7 2H4 C 7 -0.408 -1.795 10.288 192 H5 C 7 H5 C 7 -3.364 -4.009 10.764 193 H6 C 7 H6 C 7 -5.592 -3.090 10.772 194 1H5* T 8 1H5' T 8 -7.702 2.800 9.084 195 2H5* T 8 2H5' T 8 -8.611 3.553 7.758 196 H4* T 8 H4' T 8 -6.307 4.351 7.802 197 H3* T 8 H3' T 8 -7.542 3.195 5.465 198 1H2* T 8 1H2' T 8 -5.014 2.617 4.509 199 2H2* T 8 2H2' T 8 -6.037 1.430 5.351 200 H1* T 8 H1' T 8 -3.968 3.299 6.576 201 H3 T 8 H3 T 8 -0.634 0.178 6.851 202 1H5M T 8 1H5M T 8 -4.487 -2.956 6.116 203 2H5M T 8 2H5M T 8 -3.741 -3.251 7.699 204 3H5M T 8 3H5M T 8 -5.307 -2.429 7.600 205 H6 T 8 H6 T 8 -5.424 -0.126 6.907 206 1H5* T 9 1H5' T 9 -3.747 6.013 5.289 207 2H5* T 9 2H5' T 9 -3.852 7.064 3.861 208 H4* T 9 H4' T 9 -1.531 6.392 4.367 209 H3* T 9 H3' T 9 -2.772 6.086 1.770 210 1H2* T 9 1H2' T 9 -0.863 4.163 1.213 211 2H2* T 9 2H2' T 9 -2.508 3.779 1.764 212 H1* T 9 H1' T 9 -0.040 4.225 3.503 213 H3 T 9 H3 T 9 0.949 -0.216 4.022 214 1H5M T 9 1H5M T 9 -3.608 -1.361 4.022 215 2H5M T 9 2H5M T 9 -4.426 0.189 3.777 216 3H5M T 9 3H5M T 9 -3.791 -0.708 2.382 217 H6 T 9 H6 T 9 -3.146 2.166 3.248 218 1H5* C 10 1H5' C 10 1.905 6.205 2.516 219 2H5* C 10 2H5' C 10 2.645 7.172 1.225 220 H4* C 10 H4' C 10 4.141 5.393 1.969 221 H3* C 10 H3' C 10 3.456 5.828 -0.784 222 1H2* C 10 1H2' C 10 3.973 3.192 -1.325 223 2H2* C 10 2H2' C 10 2.316 3.783 -1.003 224 H1* C 10 H1' C 10 4.323 2.676 1.011 225 1H4 C 10 1H4 C 10 -0.934 -1.537 0.761 226 2H4 C 10 2H4 C 10 0.489 -2.479 1.159 227 H5 C 10 H5 C 10 -0.819 0.907 0.337 228 H6 C 10 H6 C 10 0.661 2.809 0.269 229 H3T C 10 3HO' C 10 5.555 5.872 0.166 No H/Q in entry = 229
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