NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10803 | 1qes | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G 1 6.330 -9.041 1.970 2 2H5* G 1 2H5' G 1 6.833 -8.866 3.666 3 H4* G 1 H4' G 1 8.093 -7.293 2.238 4 H3* G 1 H3' G 1 5.999 -5.951 3.979 5 1H2* G 1 H2' G 1 7.144 -3.905 3.342 6 2HO* G 1 HO2' G 1 9.034 -4.087 2.053 7 H1* G 1 H1' G 1 7.276 -4.617 0.715 8 H8 G 1 H8 G 1 3.917 -5.809 1.998 9 H1 G 1 H1 G 1 4.208 0.498 0.844 10 1H2 G 1 1H2 G 1 7.638 -0.038 0.586 11 2H2 G 1 2H2 G 1 6.320 1.110 0.530 12 H5T G 1 H5' G 1 4.995 -7.579 4.009 13 1H5* G 2 1H5' G 2 10.013 -4.260 4.435 14 2H5* G 2 2H5' G 2 10.296 -4.003 6.165 15 H4* G 2 H4' G 2 10.873 -1.973 4.910 16 H3* G 2 H3' G 2 8.392 -1.781 6.604 17 1H2* G 2 H2' G 2 8.505 0.581 6.223 18 2HO* G 2 HO2' G 2 10.307 1.424 5.081 19 H1* G 2 H1' G 2 8.979 0.327 3.578 20 H8 G 2 H8 G 2 6.687 -2.486 4.484 21 H1 G 2 H1 G 2 3.738 3.110 3.357 22 1H2 G 2 1H2 G 2 6.959 4.435 3.407 23 2H2 G 2 2H2 G 2 5.247 4.738 3.208 24 1H5* A 3 1H5' A 3 9.326 1.748 10.073 25 2H5* A 3 2H5' A 3 7.998 1.328 8.973 26 H4* A 3 H4' A 3 10.059 3.531 8.505 27 H3* A 3 H3' A 3 7.268 3.383 9.579 28 1H2* A 3 H2' A 3 6.645 5.419 8.508 29 2HO* A 3 HO2' A 3 9.433 5.574 7.820 30 H1* A 3 H1' A 3 7.735 4.746 6.060 31 H8 A 3 H8 A 3 6.886 1.365 7.109 32 1H6 A 3 1H6 A 3 0.940 2.599 5.927 33 2H6 A 3 2H6 A 3 2.100 1.352 6.328 34 H2 A 3 H2 A 3 3.229 6.454 5.789 35 1H5* G 4 1H5' G 4 7.837 7.385 9.651 36 2H5* G 4 2H5' G 4 7.638 8.000 11.307 37 H4* G 4 H4' G 4 6.069 9.139 9.799 38 H3* G 4 H3' G 4 4.797 7.016 11.486 39 1H2* G 4 H2' G 4 2.738 8.151 10.787 40 2HO* G 4 HO2' G 4 4.492 9.995 9.532 41 H1* G 4 H1' G 4 3.579 8.199 8.208 42 H8 G 4 H8 G 4 4.756 4.874 9.444 43 H1 G 4 H1 G 4 -1.564 5.093 8.401 44 1H2 G 4 1H2 G 4 -1.110 8.534 8.251 45 2H2 G 4 2H2 G 4 -2.230 7.192 8.166 46 1H5* U 5 1H5' U 5 2.609 10.413 11.952 47 2H5* U 5 2H5' U 5 2.182 10.731 13.645 48 H4* U 5 H4' U 5 0.146 10.508 12.240 49 H3* U 5 H3' U 5 0.735 8.329 14.245 50 1H2* U 5 H2' U 5 -1.319 7.359 13.761 51 2HO* U 5 HO2' U 5 -2.865 8.493 12.486 52 H1* U 5 H1' U 5 -1.247 7.782 11.099 53 H3 U 5 H3 U 5 -0.989 3.287 11.571 54 H5 U 5 H5 U 5 2.946 4.751 12.104 55 H6 U 5 H6 U 5 2.069 6.936 12.134 56 1H5* U 6 1H5' U 6 -3.528 10.335 14.744 57 2H5* U 6 2H5' U 6 -3.737 10.415 16.508 58 H4* U 6 H4' U 6 -5.800 9.501 15.506 59 H3* U 6 H3' U 6 -4.097 7.452 16.954 60 1H2* U 6 H2' U 6 -6.001 5.991 16.684 61 2HO* U 6 HO2' U 6 -7.306 8.314 15.687 62 H1* U 6 H1' U 6 -6.383 6.634 14.106 63 H3 U 6 H3 U 6 -4.456 2.484 14.113 64 H5 U 6 H5 U 6 -1.295 5.270 14.203 65 H6 U 6 H6 U 6 -2.934 6.975 14.659 66 1H5* C 7 1H5' C 7 -8.198 7.075 18.277 67 2H5* C 7 2H5' C 7 -8.182 6.873 20.039 68 H4* C 7 H4' C 7 -9.446 5.026 19.001 69 H3* C 7 H3' C 7 -6.740 4.253 20.134 70 1H2* C 7 H2' C 7 -7.534 1.979 19.834 71 2HO* C 7 HO2' C 7 -9.677 1.657 19.109 72 H1* C 7 H1' C 7 -8.492 2.420 17.357 73 1H4 C 7 1H4 C 7 -1.966 1.905 16.491 74 2H4 C 7 2H4 C 7 -2.595 0.277 16.358 75 H5 C 7 H5 C 7 -3.368 3.829 17.148 76 H6 C 7 H6 C 7 -5.590 4.501 17.755 77 1H5* C 8 1H5' C 8 -9.950 1.783 21.693 78 2H5* C 8 2H5' C 8 -9.619 1.373 23.388 79 H4* C 8 H4' C 8 -9.932 -0.691 22.030 80 H3* C 8 H3' C 8 -7.105 -0.147 22.995 81 1H2* C 8 H2' C 8 -6.595 -2.338 22.260 82 2HO* C 8 HO2' C 8 -8.330 -3.740 21.607 83 H1* C 8 H1' C 8 -8.159 -2.169 19.944 84 1H4 C 8 1H4 C 8 -2.026 0.340 19.147 85 2H4 C 8 2H4 C 8 -1.934 -1.316 18.595 86 H5 C 8 H5 C 8 -4.045 1.303 20.154 87 H6 C 8 H6 C 8 -6.334 0.836 20.782 88 H3T C 8 HO3' C 8 -7.842 -1.674 24.594 89 1H5* G 9 1H5' G 9 3.405 -10.567 17.188 90 2H5* G 9 2H5' G 9 3.035 -10.590 15.448 91 H4* G 9 H4' G 9 0.966 -10.903 16.761 92 H3* G 9 H3' G 9 1.198 -8.183 15.435 93 1H2* G 9 H2' G 9 -1.156 -7.984 16.005 94 2HO* G 9 HO2' G 9 -2.177 -9.772 17.019 95 H1* G 9 H1' G 9 -0.765 -8.827 18.555 96 H8 G 9 H8 G 9 2.303 -6.813 17.607 97 H1 G 9 H1 G 9 -2.854 -3.219 18.901 98 1H2 G 9 1H2 G 9 -4.584 -6.240 18.821 99 2H2 G 9 2H2 G 9 -4.662 -4.505 19.037 100 H5T G 9 H5' G 9 4.409 -8.855 16.029 101 1H5* G 10 1H5' G 1 -2.469 -10.346 14.465 102 2H5* G 10 2H5' G 1 -2.848 -10.105 12.750 103 H4* G 10 H4' G 1 -4.819 -9.653 14.143 104 H3* G 10 H3' G 1 -3.598 -7.206 12.867 105 1H2* G 10 H2' G 1 -5.677 -6.133 13.505 106 2HO* G 10 HO2' G 1 -6.426 -8.721 14.414 107 H1* G 10 H1' G 1 -5.526 -7.000 16.015 108 H8 G 10 H8 G 1 -1.956 -6.672 14.965 109 H1 G 10 H1 G 1 -4.698 -1.069 16.482 110 1H2 G 10 1H2 G 1 -7.670 -2.888 16.443 111 2H2 G 10 2H2 G 1 -6.899 -1.337 16.685 112 1H5* A 11 1H5' A 1 -7.728 -7.379 12.029 113 2H5* A 11 2H5' A 1 -8.039 -6.952 10.337 114 H4* A 11 H4' A 1 -9.383 -5.559 11.866 115 H3* A 11 H3' A 1 -7.184 -4.122 10.385 116 1H2* A 11 H2' A 1 -8.269 -2.077 11.145 117 2HO* A 11 HO2' A 1 -10.262 -3.875 12.154 118 H1* A 11 H1' A 1 -8.539 -3.016 13.746 119 H8 A 11 H8 A 1 -5.361 -4.529 12.568 120 1H6 A 11 1H6 A 1 -2.620 0.896 13.759 121 2H6 A 11 2H6 A 1 -2.362 -0.780 13.326 122 H2 A 11 H2 A 1 -7.056 1.447 14.090 123 1H5* G 12 1H5' G 1 -10.674 -1.954 9.957 124 2H5* G 12 2H5' G 1 -10.963 -1.517 8.261 125 H4* G 12 H4' G 1 -11.005 0.488 9.683 126 H3* G 12 H3' G 1 -8.455 0.214 8.119 127 1H2* G 12 H2' G 1 -8.263 2.595 8.755 128 2HO* G 12 HO2' G 1 -10.639 2.877 8.606 129 H1* G 12 H1' G 1 -8.891 2.003 11.328 130 H8 G 12 H8 G 1 -6.804 -0.904 10.231 131 H1 G 12 H1 G 1 -3.379 4.392 11.406 132 1H2 G 12 1H2 G 1 -4.723 6.146 11.579 133 2H2 G 12 2H2 G 1 -6.459 6.002 11.416 134 1H5* U 13 1H5' U 1 -9.929 3.982 7.423 135 2H5* U 13 2H5' U 1 -9.821 4.442 5.714 136 H4* U 13 H4' U 1 -8.553 6.017 7.164 137 H3* U 13 H3' U 1 -7.001 4.221 5.301 138 1H2* U 13 H2' U 1 -5.048 5.344 5.884 139 2HO* U 13 HO2' U 1 -5.155 7.284 7.119 140 H1* U 13 H1' U 1 -5.589 5.572 8.512 141 H3 U 13 H3 U 1 -2.086 2.711 8.239 142 H5 U 13 H5 U 1 -5.568 0.383 7.631 143 H6 U 13 H6 U 1 -6.809 2.376 7.497 144 1H5* U 14 1H5' U 1 -6.151 8.838 4.817 145 2H5* U 14 2H5' U 1 -6.002 9.064 3.060 146 H4* U 14 H4' U 1 -4.135 10.240 4.185 147 H3* U 14 H3' U 1 -3.334 7.700 2.735 148 1H2* U 14 H2' U 1 -1.071 8.481 3.119 149 2HO* U 14 HO2' U 1 -1.777 10.766 2.826 150 H1* U 14 H1' U 1 -1.515 9.050 5.700 151 H3 U 14 H3 U 1 0.777 5.074 5.660 152 H5 U 14 H5 U 1 -3.332 4.133 5.536 153 H6 U 14 H6 U 1 -3.755 6.453 5.066 154 1H5* C 15 1H5' C 1 -0.615 10.897 1.526 155 2H5* C 15 2H5' C 1 -0.392 10.745 -0.225 156 H4* C 15 H4' C 1 1.795 10.727 0.936 157 H3* C 15 H3' C 1 0.927 8.093 -0.288 158 1H2* C 15 H2' C 1 3.234 7.436 0.107 159 2HO* C 15 HO2' C 1 4.004 9.644 -0.397 160 H1* C 15 H1' C 1 3.285 8.386 2.620 161 1H4 C 15 1H4 C 1 -0.173 2.802 3.218 162 2H4 C 15 2H4 C 1 1.505 2.339 3.400 163 H5 C 15 H5 C 1 -0.870 5.085 2.581 164 H6 C 15 H6 C 1 -0.073 7.284 2.047 165 1H5* C 16 1H5' C 1 4.900 9.200 -1.823 166 2H5* C 16 2H5' C 1 4.986 8.672 -3.513 167 H4* C 16 H4' C 1 6.807 7.640 -2.160 168 H3* C 16 H3' C 1 4.611 5.774 -3.119 169 1H2* C 16 H2' C 1 6.007 4.007 -2.385 170 2HO* C 16 HO2' C 1 8.188 4.495 -1.738 171 H1* C 16 H1' C 1 6.845 5.320 -0.065 172 1H4 C 16 1H4 C 1 1.037 2.079 0.572 173 2H4 C 16 2H4 C 1 2.265 0.954 1.104 174 H5 C 16 H5 C 1 1.559 4.297 -0.340 175 H6 C 16 H6 C 1 3.363 5.811 -0.895 176 H3T C 16 HO3' C 1 7.238 6.362 -4.070 Start of MODEL 2 1 1H5* G 1 1H5' G 1 5.946 -9.208 3.580 2 2H5* G 1 2H5' G 1 6.257 -8.800 5.283 3 H4* G 1 H4' G 1 7.800 -7.552 3.820 4 H3* G 1 H3' G 1 5.619 -5.863 5.084 5 1H2* G 1 H2' G 1 6.931 -3.977 4.303 6 2HO* G 1 HO2' G 1 8.821 -5.964 3.523 7 H1* G 1 H1' G 1 7.260 -5.020 1.819 8 H8 G 1 H8 G 1 3.792 -6.043 2.948 9 H1 G 1 H1 G 1 4.210 0.101 1.139 10 1H2 G 1 1H2 G 1 7.648 -0.454 1.181 11 2H2 G 1 2H2 G 1 6.345 0.679 0.904 12 H5T G 1 H5' G 1 4.030 -8.756 4.774 13 1H5* G 2 1H5' G 2 9.632 -4.276 5.798 14 2H5* G 2 2H5' G 2 9.723 -3.730 7.483 15 H4* G 2 H4' G 2 10.532 -1.968 5.974 16 H3* G 2 H3' G 2 7.862 -1.374 7.252 17 1H2* G 2 H2' G 2 8.296 0.890 6.482 18 2HO* G 2 HO2' G 2 10.260 1.280 5.353 19 H1* G 2 H1' G 2 8.860 0.084 4.005 20 H8 G 2 H8 G 2 6.409 -2.454 5.224 21 H1 G 2 H1 G 2 3.682 3.057 3.381 22 1H2 G 2 1H2 G 2 6.945 4.280 3.352 23 2H2 G 2 2H2 G 2 5.248 4.614 3.092 24 1H5* A 3 1H5' A 3 10.497 1.844 7.886 25 2H5* A 3 2H5' A 3 10.367 2.429 9.556 26 H4* A 3 H4' A 3 10.024 4.274 7.957 27 H3* A 3 H3' A 3 7.566 3.412 9.479 28 1H2* A 3 H2' A 3 6.573 5.476 8.643 29 2HO* A 3 HO2' A 3 7.928 6.862 7.373 30 H1* A 3 H1' A 3 7.490 5.030 6.056 31 H8 A 3 H8 A 3 6.796 1.628 7.364 32 1H6 A 3 1H6 A 3 0.812 2.645 6.131 33 2H6 A 3 2H6 A 3 1.998 1.450 6.605 34 H2 A 3 H2 A 3 3.032 6.514 5.671 35 1H5* G 4 1H5' G 4 7.879 7.524 9.744 36 2H5* G 4 2H5' G 4 7.717 8.069 11.426 37 H4* G 4 H4' G 4 6.106 9.247 9.997 38 H3* G 4 H3' G 4 4.840 7.061 11.622 39 1H2* G 4 H2' G 4 2.794 8.298 10.983 40 2HO* G 4 HO2' G 4 3.972 10.384 11.076 41 H1* G 4 H1' G 4 3.621 8.405 8.397 42 H8 G 4 H8 G 4 4.742 5.027 9.561 43 H1 G 4 H1 G 4 -1.549 5.361 8.349 44 1H2 G 4 1H2 G 4 -2.173 7.476 8.132 45 2H2 G 4 2H2 G 4 -1.035 8.797 8.276 46 1H5* U 5 1H5' U 5 2.687 10.503 12.282 47 2H5* U 5 2H5' U 5 2.279 10.711 13.995 48 H4* U 5 H4' U 5 0.236 10.604 12.585 49 H3* U 5 H3' U 5 0.800 8.294 14.445 50 1H2* U 5 H2' U 5 -1.279 7.400 13.913 51 2HO* U 5 HO2' U 5 -2.803 8.643 12.717 52 H1* U 5 H1' U 5 -1.200 7.977 11.280 53 H3 U 5 H3 U 5 -1.009 3.453 11.506 54 H5 U 5 H5 U 5 2.944 4.828 12.136 55 H6 U 5 H6 U 5 2.102 7.021 12.270 56 1H5* U 6 1H5' U 6 -3.411 10.364 15.095 57 2H5* U 6 2H5' U 6 -3.619 10.331 16.861 58 H4* U 6 H4' U 6 -5.704 9.533 15.804 59 H3* U 6 H3' U 6 -4.052 7.338 17.094 60 1H2* U 6 H2' U 6 -6.033 5.983 16.749 61 2HO* U 6 HO2' U 6 -7.463 7.850 17.202 62 H1* U 6 H1' U 6 -6.355 6.790 14.208 63 H3 U 6 H3 U 6 -4.526 2.602 13.943 64 H5 U 6 H5 U 6 -1.303 5.298 14.233 65 H6 U 6 H6 U 6 -2.901 7.006 14.799 66 1H5* C 7 1H5' C 7 -8.140 6.887 18.524 67 2H5* C 7 2H5' C 7 -8.027 6.602 20.270 68 H4* C 7 H4' C 7 -9.332 4.803 19.209 69 H3* C 7 H3' C 7 -6.573 4.012 20.184 70 1H2* C 7 H2' C 7 -7.320 1.742 19.799 71 2HO* C 7 HO2' C 7 -9.843 2.940 19.275 72 H1* C 7 H1' C 7 -8.403 2.268 17.395 73 1H4 C 7 1H4 C 7 -1.905 1.972 16.256 74 2H4 C 7 2H4 C 7 -2.485 0.327 16.120 75 H5 C 7 H5 C 7 -3.344 3.840 16.999 76 H6 C 7 H6 C 7 -5.560 4.423 17.710 77 1H5* C 8 1H5' C 8 -9.619 1.377 21.754 78 2H5* C 8 2H5' C 8 -9.212 0.924 23.421 79 H4* C 8 H4' C 8 -9.488 -1.103 22.003 80 H3* C 8 H3' C 8 -6.655 -0.471 22.898 81 1H2* C 8 H2' C 8 -6.071 -2.601 22.057 82 2HO* C 8 HO2' C 8 -7.894 -3.710 22.945 83 H1* C 8 H1' C 8 -7.741 -2.439 19.814 84 1H4 C 8 1H4 C 8 -1.746 0.338 18.856 85 2H4 C 8 2H4 C 8 -1.605 -1.304 18.271 86 H5 C 8 H5 C 8 -3.772 1.198 19.945 87 H6 C 8 H6 C 8 -6.017 0.622 20.641 88 H3T C 8 HO3' C 8 -8.723 -2.197 23.852 89 1H5* G 9 1H5' G 9 3.829 -10.349 15.925 90 2H5* G 9 2H5' G 9 3.306 -10.352 14.225 91 H4* G 9 H4' G 9 1.371 -10.745 15.704 92 H3* G 9 H3' G 9 1.399 -7.978 14.457 93 1H2* G 9 H2' G 9 -0.898 -7.883 15.242 94 2HO* G 9 HO2' G 9 -1.764 -9.741 16.272 95 H1* G 9 H1' G 9 -0.245 -8.805 17.714 96 H8 G 9 H8 G 9 2.645 -6.634 16.576 97 H1 G 9 H1 G 9 -2.495 -3.302 18.491 98 1H2 G 9 1H2 G 9 -4.116 -6.384 18.436 99 2H2 G 9 2H2 G 9 -4.236 -4.665 18.735 100 H5T G 9 H5' G 9 3.307 -8.086 14.286 101 1H5* G 10 1H5' G 1 -2.280 -10.217 13.725 102 2H5* G 10 2H5' G 1 -2.800 -9.928 12.054 103 H4* G 10 H4' G 1 -4.670 -9.565 13.608 104 H3* G 10 H3' G 1 -3.593 -7.038 12.357 105 1H2* G 10 H2' G 1 -5.666 -6.069 13.183 106 2HO* G 10 HO2' G 1 -7.113 -7.448 14.318 107 H1* G 10 H1' G 1 -5.294 -7.039 15.636 108 H8 G 10 H8 G 1 -1.824 -6.543 14.357 109 H1 G 10 H1 G 1 -4.622 -1.107 16.315 110 1H2 G 10 1H2 G 1 -7.538 -3.016 16.372 111 2H2 G 10 2H2 G 1 -6.798 -1.453 16.637 112 1H5* A 11 1H5' A 1 -7.747 -7.240 11.792 113 2H5* A 11 2H5' A 1 -8.173 -6.767 10.136 114 H4* A 11 H4' A 1 -9.428 -5.426 11.776 115 H3* A 11 H3' A 1 -7.318 -3.939 10.217 116 1H2* A 11 H2' A 1 -8.332 -1.917 11.109 117 2HO* A 11 HO2' A 1 -10.292 -3.733 12.156 118 H1* A 11 H1' A 1 -8.477 -2.941 13.689 119 H8 A 11 H8 A 1 -5.371 -4.426 12.304 120 1H6 A 11 1H6 A 1 -2.555 0.953 13.521 121 2H6 A 11 2H6 A 1 -2.325 -0.710 13.031 122 H2 A 11 H2 A 1 -6.970 1.509 14.069 123 1H5* G 12 1H5' G 1 -10.734 -1.656 10.072 124 2H5* G 12 2H5' G 1 -11.123 -1.207 8.399 125 H4* G 12 H4' G 1 -10.992 0.809 9.787 126 H3* G 12 H3' G 1 -8.529 0.405 8.116 127 1H2* G 12 H2' G 1 -8.193 2.774 8.718 128 2HO* G 12 HO2' G 1 -9.801 3.770 10.010 129 H1* G 12 H1' G 1 -8.769 2.248 11.318 130 H8 G 12 H8 G 1 -6.819 -0.735 10.158 131 H1 G 12 H1 G 1 -3.192 4.437 11.274 132 1H2 G 12 1H2 G 1 -4.468 6.232 11.497 133 2H2 G 12 2H2 G 1 -6.212 6.149 11.380 134 1H5* U 13 1H5' U 1 -9.944 4.195 7.491 135 2H5* U 13 2H5' U 1 -9.901 4.669 5.782 136 H4* U 13 H4' U 1 -8.548 6.221 7.171 137 H3* U 13 H3' U 1 -7.087 4.386 5.269 138 1H2* U 13 H2' U 1 -5.107 5.497 5.767 139 2HO* U 13 HO2' U 1 -5.149 7.457 6.971 140 H1* U 13 H1' U 1 -5.563 5.778 8.410 141 H3 U 13 H3 U 1 -2.075 2.902 8.147 142 H5 U 13 H5 U 1 -5.549 0.573 7.513 143 H6 U 13 H6 U 1 -6.798 2.568 7.399 144 1H5* U 14 1H5' U 1 -6.187 8.994 4.620 145 2H5* U 14 2H5' U 1 -6.065 9.141 2.852 146 H4* U 14 H4' U 1 -4.148 10.309 3.875 147 H3* U 14 H3' U 1 -3.438 7.664 2.571 148 1H2* U 14 H2' U 1 -1.149 8.367 2.895 149 2HO* U 14 HO2' U 1 -2.302 10.825 3.743 150 H1* U 14 H1' U 1 -1.543 9.162 5.427 151 H3 U 14 H3 U 1 0.675 5.170 5.698 152 H5 U 14 H5 U 1 -3.424 4.233 5.422 153 H6 U 14 H6 U 1 -3.820 6.541 4.862 154 1H5* C 15 1H5' C 1 -0.665 10.662 1.208 155 2H5* C 15 2H5' C 1 -0.457 10.457 -0.541 156 H4* C 15 H4' C 1 1.742 10.422 0.567 157 H3* C 15 H3' C 1 0.787 7.746 -0.494 158 1H2* C 15 H2' C 1 3.062 7.016 -0.079 159 2HO* C 15 HO2' C 1 3.546 9.750 0.524 160 H1* C 15 H1' C 1 3.211 8.149 2.358 161 1H4 C 15 1H4 C 1 -0.363 2.689 3.350 162 2H4 C 15 2H4 C 1 1.307 2.205 3.541 163 H5 C 15 H5 C 1 -1.022 4.944 2.585 164 H6 C 15 H6 C 1 -0.188 7.089 1.909 165 1H5* C 16 1H5' C 1 4.740 8.668 -1.952 166 2H5* C 16 2H5' C 1 4.895 8.113 -3.631 167 H4* C 16 H4' C 1 6.659 7.090 -2.214 168 H3* C 16 H3' C 1 4.469 5.211 -3.163 169 1H2* C 16 H2' C 1 5.822 3.454 -2.347 170 2HO* C 16 HO2' C 1 7.869 5.437 -2.118 171 H1* C 16 H1' C 1 6.659 4.846 -0.065 172 1H4 C 16 1H4 C 1 0.842 1.677 0.752 173 2H4 C 16 2H4 C 1 2.067 0.574 1.334 174 H5 C 16 H5 C 1 1.374 3.836 -0.288 175 H6 C 16 H6 C 1 3.185 5.307 -0.931 176 H3T C 16 HO3' C 1 5.733 6.300 -4.771 Start of MODEL 3 1 1H5* G 1 1H5' G 1 6.493 -9.230 3.281 2 2H5* G 1 2H5' G 1 6.719 -8.870 5.008 3 H4* G 1 H4' G 1 8.157 -7.407 3.621 4 H3* G 1 H3' G 1 5.812 -5.980 4.917 5 1H2* G 1 H2' G 1 7.024 -3.969 4.273 6 2HO* G 1 HO2' G 1 9.074 -4.215 3.282 7 H1* G 1 H1' G 1 7.506 -4.888 1.758 8 H8 G 1 H8 G 1 4.034 -6.066 2.740 9 H1 G 1 H1 G 1 4.313 0.133 1.105 10 1H2 G 1 1H2 G 1 7.764 -0.317 1.235 11 2H2 G 1 2H2 G 1 6.434 0.783 0.949 12 H5T G 1 H5' G 1 4.632 -7.901 3.346 13 1H5* G 2 1H5' G 2 9.739 -4.261 5.832 14 2H5* G 2 2H5' G 2 9.760 -3.735 7.524 15 H4* G 2 H4' G 2 10.567 -1.937 6.050 16 H3* G 2 H3' G 2 7.858 -1.414 7.275 17 1H2* G 2 H2' G 2 8.270 0.867 6.544 18 2HO* G 2 HO2' G 2 10.249 1.306 5.464 19 H1* G 2 H1' G 2 8.901 0.103 4.071 20 H8 G 2 H8 G 2 6.464 -2.481 5.230 21 H1 G 2 H1 G 2 3.691 3.000 3.363 22 1H2 G 2 1H2 G 2 6.938 4.266 3.384 23 2H2 G 2 2H2 G 2 5.240 4.577 3.099 24 1H5* A 3 1H5' A 3 10.473 1.821 7.999 25 2H5* A 3 2H5' A 3 10.294 2.407 9.663 26 H4* A 3 H4' A 3 10.005 4.247 8.041 27 H3* A 3 H3' A 3 7.512 3.413 9.518 28 1H2* A 3 H2' A 3 6.555 5.483 8.651 29 2HO* A 3 HO2' A 3 7.948 6.847 7.399 30 H1* A 3 H1' A 3 7.516 5.011 6.086 31 H8 A 3 H8 A 3 6.768 1.624 7.398 32 1H6 A 3 1H6 A 3 0.816 2.684 6.045 33 2H6 A 3 2H6 A 3 1.982 1.481 6.547 34 H2 A 3 H2 A 3 3.078 6.531 5.608 35 1H5* G 4 1H5' G 4 7.862 7.526 9.763 36 2H5* G 4 2H5' G 4 7.672 8.085 11.437 37 H4* G 4 H4' G 4 6.102 9.269 9.966 38 H3* G 4 H3' G 4 4.784 7.111 11.587 39 1H2* G 4 H2' G 4 2.763 8.358 10.898 40 2HO* G 4 HO2' G 4 3.949 10.436 10.998 41 H1* G 4 H1' G 4 3.640 8.438 8.326 42 H8 G 4 H8 G 4 4.704 5.058 9.528 43 H1 G 4 H1 G 4 -1.568 5.452 8.246 44 1H2 G 4 1H2 G 4 -2.167 7.572 8.006 45 2H2 G 4 2H2 G 4 -1.016 8.881 8.153 46 1H5* U 5 1H5' U 5 2.632 10.552 12.178 47 2H5* U 5 2H5' U 5 2.204 10.780 13.884 48 H4* U 5 H4' U 5 0.177 10.656 12.458 49 H3* U 5 H3' U 5 0.731 8.364 14.345 50 1H2* U 5 H2' U 5 -1.336 7.448 13.794 51 2HO* U 5 HO2' U 5 -1.866 9.944 12.538 52 H1* U 5 H1' U 5 -1.235 7.999 11.162 53 H3 U 5 H3 U 5 -1.007 3.479 11.459 54 H5 U 5 H5 U 5 2.930 4.899 12.088 55 H6 U 5 H6 U 5 2.067 7.086 12.185 56 1H5* U 6 1H5' U 6 -3.549 10.340 14.996 57 2H5* U 6 2H5' U 6 -3.698 10.341 16.769 58 H4* U 6 H4' U 6 -5.789 9.445 15.809 59 H3* U 6 H3' U 6 -4.002 7.350 17.082 60 1H2* U 6 H2' U 6 -5.910 5.890 16.828 61 2HO* U 6 HO2' U 6 -7.864 6.775 16.011 62 H1* U 6 H1' U 6 -6.386 6.641 14.294 63 H3 U 6 H3 U 6 -4.404 2.513 14.113 64 H5 U 6 H5 U 6 -1.284 5.345 14.133 65 H6 U 6 H6 U 6 -2.930 7.015 14.688 66 1H5* C 7 1H5' C 7 -8.041 6.891 18.561 67 2H5* C 7 2H5' C 7 -7.952 6.609 20.310 68 H4* C 7 H4' C 7 -9.259 4.809 19.239 69 H3* C 7 H3' C 7 -6.512 3.993 20.233 70 1H2* C 7 H2' C 7 -7.309 1.732 19.858 71 2HO* C 7 HO2' C 7 -9.477 1.437 19.192 72 H1* C 7 H1' C 7 -8.355 2.280 17.442 73 1H4 C 7 1H4 C 7 -1.860 1.848 16.333 74 2H4 C 7 2H4 C 7 -2.482 0.222 16.156 75 H5 C 7 H5 C 7 -3.249 3.733 17.118 76 H6 C 7 H6 C 7 -5.454 4.362 17.825 77 1H5* C 8 1H5' C 8 -9.620 1.406 21.780 78 2H5* C 8 2H5' C 8 -9.223 0.931 23.443 79 H4* C 8 H4' C 8 -9.545 -1.077 22.012 80 H3* C 8 H3' C 8 -6.697 -0.516 22.903 81 1H2* C 8 H2' C 8 -6.167 -2.663 22.057 82 2HO* C 8 HO2' C 8 -8.988 -3.047 21.792 83 H1* C 8 H1' C 8 -7.796 -2.433 19.797 84 1H4 C 8 1H4 C 8 -1.758 0.293 18.970 85 2H4 C 8 2H4 C 8 -1.633 -1.333 18.342 86 H5 C 8 H5 C 8 -3.782 1.152 20.058 87 H6 C 8 H6 C 8 -6.041 0.589 20.716 88 H3T C 8 HO3' C 8 -8.731 -2.282 23.852 89 1H5* G 9 1H5' G 9 3.838 -10.290 15.948 90 2H5* G 9 2H5' G 9 3.257 -10.364 14.269 91 H4* G 9 H4' G 9 1.388 -10.771 15.823 92 H3* G 9 H3' G 9 1.283 -8.040 14.503 93 1H2* G 9 H2' G 9 -0.996 -8.009 15.360 94 2HO* G 9 HO2' G 9 -1.261 -10.347 15.016 95 H1* G 9 H1' G 9 -0.215 -8.798 17.838 96 H8 G 9 H8 G 9 2.595 -6.629 16.523 97 H1 G 9 H1 G 9 -2.515 -3.295 18.511 98 1H2 G 9 1H2 G 9 -4.108 -6.391 18.589 99 2H2 G 9 2H2 G 9 -4.236 -4.665 18.841 100 H5T G 9 H5' G 9 3.187 -8.100 14.257 101 1H5* G 10 1H5' G 1 -2.469 -10.327 13.757 102 2H5* G 10 2H5' G 1 -2.926 -9.991 12.079 103 H4* G 10 H4' G 1 -4.823 -9.592 13.595 104 H3* G 10 H3' G 1 -3.638 -7.090 12.393 105 1H2* G 10 H2' G 1 -5.702 -6.068 13.175 106 2HO* G 10 HO2' G 1 -7.215 -7.412 14.264 107 H1* G 10 H1' G 1 -5.419 -7.064 15.627 108 H8 G 10 H8 G 1 -1.903 -6.663 14.444 109 H1 G 10 H1 G 1 -4.610 -1.149 16.313 110 1H2 G 10 1H2 G 1 -7.570 -2.988 16.326 111 2H2 G 10 2H2 G 1 -6.798 -1.442 16.599 112 1H5* A 11 1H5' A 1 -7.790 -7.219 11.726 113 2H5* A 11 2H5' A 1 -8.176 -6.716 10.070 114 H4* A 11 H4' A 1 -9.450 -5.394 11.717 115 H3* A 11 H3' A 1 -7.318 -3.900 10.197 116 1H2* A 11 H2' A 1 -8.336 -1.882 11.100 117 2HO* A 11 HO2' A 1 -10.311 -3.704 12.108 118 H1* A 11 H1' A 1 -8.510 -2.934 13.666 119 H8 A 11 H8 A 1 -5.394 -4.419 12.313 120 1H6 A 11 1H6 A 1 -2.576 0.949 13.595 121 2H6 A 11 2H6 A 1 -2.343 -0.712 13.098 122 H2 A 11 H2 A 1 -6.994 1.510 14.095 123 1H5* G 12 1H5' G 1 -10.767 -1.634 10.037 124 2H5* G 12 2H5' G 1 -11.133 -1.156 8.367 125 H4* G 12 H4' G 1 -11.043 0.832 9.803 126 H3* G 12 H3' G 1 -8.562 0.488 8.146 127 1H2* G 12 H2' G 1 -8.249 2.844 8.804 128 2HO* G 12 HO2' G 1 -9.878 3.799 10.105 129 H1* G 12 H1' G 1 -8.845 2.258 11.386 130 H8 G 12 H8 G 1 -6.863 -0.685 10.182 131 H1 G 12 H1 G 1 -3.281 4.495 11.407 132 1H2 G 12 1H2 G 1 -4.574 6.275 11.660 133 2H2 G 12 2H2 G 1 -6.317 6.178 11.537 134 1H5* U 13 1H5' U 1 -9.965 4.282 7.591 135 2H5* U 13 2H5' U 1 -9.918 4.787 5.891 136 H4* U 13 H4' U 1 -8.561 6.308 7.306 137 H3* U 13 H3' U 1 -7.112 4.499 5.372 138 1H2* U 13 H2' U 1 -5.117 5.570 5.900 139 2HO* U 13 HO2' U 1 -6.748 7.503 7.200 140 H1* U 13 H1' U 1 -5.569 5.811 8.542 141 H3 U 13 H3 U 1 -2.122 2.893 8.205 142 H5 U 13 H5 U 1 -5.634 0.623 7.563 143 H6 U 13 H6 U 1 -6.854 2.636 7.488 144 1H5* U 14 1H5' U 1 -6.079 9.103 4.772 145 2H5* U 14 2H5' U 1 -6.006 9.249 3.001 146 H4* U 14 H4' U 1 -4.010 10.343 3.958 147 H3* U 14 H3' U 1 -3.450 7.668 2.642 148 1H2* U 14 H2' U 1 -1.128 8.291 2.883 149 2HO* U 14 HO2' U 1 -0.633 10.368 3.723 150 H1* U 14 H1' U 1 -1.410 9.093 5.430 151 H3 U 14 H3 U 1 0.667 5.015 5.568 152 H5 U 14 H5 U 1 -3.477 4.248 5.532 153 H6 U 14 H6 U 1 -3.807 6.574 4.999 154 1H5* C 15 1H5' C 1 -0.647 10.630 1.185 155 2H5* C 15 2H5' C 1 -0.482 10.409 -0.568 156 H4* C 15 H4' C 1 1.745 10.351 0.497 157 H3* C 15 H3' C 1 0.735 7.680 -0.526 158 1H2* C 15 H2' C 1 3.023 6.951 -0.172 159 2HO* C 15 HO2' C 1 4.569 8.494 0.501 160 H1* C 15 H1' C 1 3.226 8.087 2.259 161 1H4 C 15 1H4 C 1 -0.332 2.622 3.310 162 2H4 C 15 2H4 C 1 1.342 2.143 3.488 163 H5 C 15 H5 C 1 -1.005 4.872 2.548 164 H6 C 15 H6 C 1 -0.185 7.021 1.864 165 1H5* C 16 1H5' C 1 4.661 8.671 -2.090 166 2H5* C 16 2H5' C 1 4.804 8.081 -3.758 167 H4* C 16 H4' C 1 6.622 7.146 -2.340 168 H3* C 16 H3' C 1 4.487 5.178 -3.226 169 1H2* C 16 H2' C 1 5.933 3.488 -2.407 170 2HO* C 16 HO2' C 1 7.863 4.491 -3.295 171 H1* C 16 H1' C 1 6.705 4.935 -0.142 172 1H4 C 16 1H4 C 1 0.978 1.612 0.712 173 2H4 C 16 2H4 C 1 2.231 0.563 1.335 174 H5 C 16 H5 C 1 1.452 3.756 -0.383 175 H6 C 16 H6 C 1 3.222 5.265 -1.050 176 H3T C 16 HO3' C 1 6.107 4.779 -4.821 Start of MODEL 4 1 1H5* G 1 1H5' G 1 6.624 -9.064 2.786 2 2H5* G 1 2H5' G 1 6.888 -8.731 4.513 3 H4* G 1 H4' G 1 8.321 -7.276 3.118 4 H3* G 1 H3' G 1 6.029 -5.841 4.494 5 1H2* G 1 H2' G 1 7.216 -3.823 3.844 6 2HO* G 1 HO2' G 1 9.235 -5.625 2.953 7 H1* G 1 H1' G 1 7.639 -4.697 1.304 8 H8 G 1 H8 G 1 4.196 -5.913 2.327 9 H1 G 1 H1 G 1 4.410 0.331 0.864 10 1H2 G 1 1H2 G 1 7.865 -0.103 0.913 11 2H2 G 1 2H2 G 1 6.525 0.997 0.685 12 H5T G 1 H5' G 1 4.784 -7.717 2.901 13 1H5* G 2 1H5' G 2 9.965 -4.101 5.334 14 2H5* G 2 2H5' G 2 10.022 -3.627 7.042 15 H4* G 2 H4' G 2 10.761 -1.771 5.606 16 H3* G 2 H3' G 2 8.075 -1.334 6.911 17 1H2* G 2 H2' G 2 8.425 0.974 6.237 18 2HO* G 2 HO2' G 2 10.371 1.484 5.126 19 H1* G 2 H1' G 2 9.017 0.297 3.730 20 H8 G 2 H8 G 2 6.651 -2.367 4.845 21 H1 G 2 H1 G 2 3.752 3.132 3.236 22 1H2 G 2 1H2 G 2 6.979 4.448 3.241 23 2H2 G 2 2H2 G 2 5.271 4.742 3.001 24 1H5* A 3 1H5' A 3 10.637 1.937 7.663 25 2H5* A 3 2H5' A 3 10.484 2.473 9.346 26 H4* A 3 H4' A 3 10.112 4.349 7.781 27 H3* A 3 H3' A 3 7.680 3.415 9.300 28 1H2* A 3 H2' A 3 6.646 5.477 8.511 29 2HO* A 3 HO2' A 3 7.968 6.913 7.262 30 H1* A 3 H1' A 3 7.553 5.103 5.910 31 H8 A 3 H8 A 3 6.924 1.664 7.153 32 1H6 A 3 1H6 A 3 0.913 2.611 5.986 33 2H6 A 3 2H6 A 3 2.120 1.425 6.433 34 H2 A 3 H2 A 3 3.072 6.517 5.567 35 1H5* G 4 1H5' G 4 7.919 7.531 9.640 36 2H5* G 4 2H5' G 4 7.757 8.040 11.333 37 H4* G 4 H4' G 4 6.109 9.209 9.934 38 H3* G 4 H3' G 4 4.910 6.968 11.533 39 1H2* G 4 H2' G 4 2.830 8.151 10.924 40 2HO* G 4 HO2' G 4 3.035 10.057 9.668 41 H1* G 4 H1' G 4 3.630 8.331 8.341 42 H8 G 4 H8 G 4 4.840 4.963 9.452 43 H1 G 4 H1 G 4 -1.473 5.171 8.336 44 1H2 G 4 1H2 G 4 -1.035 8.617 8.275 45 2H2 G 4 2H2 G 4 -2.146 7.271 8.142 46 1H5* U 5 1H5' U 5 2.751 10.376 12.183 47 2H5* U 5 2H5' U 5 2.328 10.612 13.890 48 H4* U 5 H4' U 5 0.291 10.505 12.468 49 H3* U 5 H3' U 5 0.827 8.219 14.367 50 1H2* U 5 H2' U 5 -1.254 7.328 13.836 51 2HO* U 5 HO2' U 5 -2.764 8.562 12.614 52 H1* U 5 H1' U 5 -1.162 7.869 11.197 53 H3 U 5 H3 U 5 -1.011 3.346 11.477 54 H5 U 5 H5 U 5 2.953 4.693 12.085 55 H6 U 5 H6 U 5 2.128 6.895 12.208 56 1H5* U 6 1H5' U 6 -3.383 10.306 14.958 57 2H5* U 6 2H5' U 6 -3.580 10.327 16.725 58 H4* U 6 H4' U 6 -5.674 9.506 15.705 59 H3* U 6 H3' U 6 -4.013 7.366 17.068 60 1H2* U 6 H2' U 6 -5.950 5.959 16.760 61 2HO* U 6 HO2' U 6 -7.209 8.345 15.855 62 H1* U 6 H1' U 6 -6.333 6.700 14.208 63 H3 U 6 H3 U 6 -4.491 2.509 14.080 64 H5 U 6 H5 U 6 -1.277 5.233 14.189 65 H6 U 6 H6 U 6 -2.877 6.955 14.716 66 1H5* C 7 1H5' C 7 -8.097 7.006 18.411 67 2H5* C 7 2H5' C 7 -8.067 6.771 20.168 68 H4* C 7 H4' C 7 -9.361 4.957 19.115 69 H3* C 7 H3' C 7 -6.646 4.139 20.192 70 1H2* C 7 H2' C 7 -7.455 1.878 19.858 71 2HO* C 7 HO2' C 7 -9.612 1.580 19.161 72 H1* C 7 H1' C 7 -8.450 2.373 17.406 73 1H4 C 7 1H4 C 7 -1.944 1.837 16.422 74 2H4 C 7 2H4 C 7 -2.581 0.213 16.286 75 H5 C 7 H5 C 7 -3.328 3.761 17.121 76 H6 C 7 H6 C 7 -5.536 4.432 17.778 77 1H5* C 8 1H5' C 8 -9.846 1.661 21.752 78 2H5* C 8 2H5' C 8 -9.494 1.221 23.435 79 H4* C 8 H4' C 8 -9.836 -0.818 22.047 80 H3* C 8 H3' C 8 -6.995 -0.304 22.986 81 1H2* C 8 H2' C 8 -6.503 -2.483 22.207 82 2HO* C 8 HO2' C 8 -8.251 -3.869 21.554 83 H1* C 8 H1' C 8 -8.100 -2.270 19.916 84 1H4 C 8 1H4 C 8 -1.964 0.212 19.065 85 2H4 C 8 2H4 C 8 -1.889 -1.439 18.493 86 H5 C 8 H5 C 8 -3.964 1.174 20.112 87 H6 C 8 H6 C 8 -6.247 0.712 20.766 88 H3T C 8 HO3' C 8 -7.719 -1.854 24.568 89 1H5* G 9 1H5' G 9 3.323 -10.729 16.799 90 2H5* G 9 2H5' G 9 2.913 -10.730 15.068 91 H4* G 9 H4' G 9 0.871 -11.035 16.425 92 H3* G 9 H3' G 9 1.103 -8.304 15.122 93 1H2* G 9 H2' G 9 -1.236 -8.085 15.749 94 2HO* G 9 HO2' G 9 -2.255 -9.874 16.761 95 H1* G 9 H1' G 9 -0.796 -8.967 18.279 96 H8 G 9 H8 G 9 2.263 -6.962 17.277 97 H1 G 9 H1 G 9 -2.827 -3.352 18.778 98 1H2 G 9 1H2 G 9 -4.581 -6.360 18.700 99 2H2 G 9 2H2 G 9 -4.640 -4.629 18.946 100 H5T G 9 H5' G 9 4.319 -9.016 15.635 101 1H5* G 10 1H5' G 1 -2.615 -10.403 14.209 102 2H5* G 10 2H5' G 1 -3.034 -10.128 12.509 103 H4* G 10 H4' G 1 -4.961 -9.650 13.965 104 H3* G 10 H3' G 1 -3.721 -7.205 12.702 105 1H2* G 10 H2' G 1 -5.784 -6.130 13.406 106 2HO* G 10 HO2' G 1 -7.340 -7.414 14.509 107 H1* G 10 H1' G 1 -5.569 -7.045 15.896 108 H8 G 10 H8 G 1 -2.027 -6.723 14.763 109 H1 G 10 H1 G 1 -4.692 -1.127 16.436 110 1H2 G 10 1H2 G 1 -7.677 -2.925 16.434 111 2H2 G 10 2H2 G 1 -6.890 -1.382 16.683 112 1H5* A 11 1H5' A 1 -7.868 -7.303 11.969 113 2H5* A 11 2H5' A 1 -8.220 -6.840 10.294 114 H4* A 11 H4' A 1 -9.500 -5.456 11.885 115 H3* A 11 H3' A 1 -7.326 -4.033 10.356 116 1H2* A 11 H2' A 1 -8.333 -1.978 11.186 117 2HO* A 11 HO2' A 1 -10.343 -3.746 12.219 118 H1* A 11 H1' A 1 -8.555 -2.952 13.779 119 H8 A 11 H8 A 1 -5.442 -4.513 12.497 120 1H6 A 11 1H6 A 1 -2.566 0.847 13.675 121 2H6 A 11 2H6 A 1 -2.350 -0.828 13.217 122 H2 A 11 H2 A 1 -6.980 1.476 14.131 123 1H5* G 12 1H5' G 1 -10.743 -1.732 10.085 124 2H5* G 12 2H5' G 1 -11.077 -1.289 8.399 125 H4* G 12 H4' G 1 -10.979 0.728 9.795 126 H3* G 12 H3' G 1 -8.486 0.318 8.172 127 1H2* G 12 H2' G 1 -8.156 2.688 8.781 128 2HO* G 12 HO2' G 1 -9.784 3.682 10.053 129 H1* G 12 H1' G 1 -8.765 2.159 11.369 130 H8 G 12 H8 G 1 -6.830 -0.843 10.233 131 H1 G 12 H1 G 1 -3.161 4.299 11.348 132 1H2 G 12 1H2 G 1 -4.422 6.107 11.558 133 2H2 G 12 2H2 G 1 -6.166 6.039 11.435 134 1H5* U 13 1H5' U 1 -9.893 4.106 7.541 135 2H5* U 13 2H5' U 1 -9.835 4.591 5.837 136 H4* U 13 H4' U 1 -8.508 6.141 7.256 137 H3* U 13 H3' U 1 -7.024 4.339 5.342 138 1H2* U 13 H2' U 1 -5.053 5.458 5.863 139 2HO* U 13 HO2' U 1 -5.116 7.403 7.094 140 H1* U 13 H1' U 1 -5.524 5.702 8.507 141 H3 U 13 H3 U 1 -2.011 2.852 8.198 142 H5 U 13 H5 U 1 -5.481 0.508 7.595 143 H6 U 13 H6 U 1 -6.739 2.496 7.487 144 1H5* U 14 1H5' U 1 -6.154 8.958 4.767 145 2H5* U 14 2H5' U 1 -6.058 9.139 3.000 146 H4* U 14 H4' U 1 -4.138 10.309 4.020 147 H3* U 14 H3' U 1 -3.434 7.702 2.642 148 1H2* U 14 H2' U 1 -1.143 8.401 2.946 149 2HO* U 14 HO2' U 1 -2.288 10.837 3.868 150 H1* U 14 H1' U 1 -1.497 9.139 5.503 151 H3 U 14 H3 U 1 0.742 5.146 5.605 152 H5 U 14 H5 U 1 -3.367 4.217 5.496 153 H6 U 14 H6 U 1 -3.781 6.534 4.983 154 1H5* C 15 1H5' C 1 -0.696 10.756 1.307 155 2H5* C 15 2H5' C 1 -0.528 10.598 -0.452 156 H4* C 15 H4' C 1 1.702 10.537 0.599 157 H3* C 15 H3' C 1 0.722 7.880 -0.489 158 1H2* C 15 H2' C 1 3.017 7.169 -0.160 159 2HO* C 15 HO2' C 1 4.549 8.713 0.548 160 H1* C 15 H1' C 1 3.220 8.246 2.296 161 1H4 C 15 1H4 C 1 -0.260 2.718 3.248 162 2H4 C 15 2H4 C 1 1.421 2.250 3.379 163 H5 C 15 H5 C 1 -0.968 4.985 2.563 164 H6 C 15 H6 C 1 -0.178 7.157 1.919 165 1H5* C 16 1H5' C 1 4.624 8.962 -2.046 166 2H5* C 16 2H5' C 1 4.764 8.424 -3.731 167 H4* C 16 H4' C 1 6.603 7.475 -2.351 168 H3* C 16 H3' C 1 4.491 5.509 -3.297 169 1H2* C 16 H2' C 1 5.946 3.806 -2.527 170 2HO* C 16 HO2' C 1 7.891 5.877 -2.205 171 H1* C 16 H1' C 1 6.721 5.189 -0.223 172 1H4 C 16 1H4 C 1 1.029 1.797 0.571 173 2H4 C 16 2H4 C 1 2.295 0.739 1.149 174 H5 C 16 H5 C 1 1.478 3.977 -0.462 175 H6 C 16 H6 C 1 3.230 5.520 -1.097 176 H3T C 16 HO3' C 1 7.098 6.184 -4.246 Start of MODEL 5 1 1H5* G 1 1H5' G 1 6.042 -9.200 3.596 2 2H5* G 1 2H5' G 1 6.362 -8.798 5.299 3 H4* G 1 H4' G 1 7.874 -7.523 3.831 4 H3* G 1 H3' G 1 5.686 -5.843 5.095 5 1H2* G 1 H2' G 1 6.989 -3.958 4.306 6 2HO* G 1 HO2' G 1 8.884 -5.940 3.525 7 H1* G 1 H1' G 1 7.313 -5.012 1.826 8 H8 G 1 H8 G 1 3.853 -6.042 2.968 9 H1 G 1 H1 G 1 4.241 0.095 1.132 10 1H2 G 1 1H2 G 1 7.681 -0.445 1.168 11 2H2 G 1 2H2 G 1 6.373 0.682 0.889 12 H5T G 1 H5' G 1 4.583 -7.397 5.239 13 1H5* G 2 1H5' G 2 9.683 -4.243 5.804 14 2H5* G 2 2H5' G 2 9.774 -3.685 7.485 15 H4* G 2 H4' G 2 10.573 -1.931 5.962 16 H3* G 2 H3' G 2 7.906 -1.336 7.242 17 1H2* G 2 H2' G 2 8.332 0.924 6.456 18 2HO* G 2 HO2' G 2 10.292 1.311 5.319 19 H1* G 2 H1' G 2 8.892 0.101 3.983 20 H8 G 2 H8 G 2 6.451 -2.436 5.221 21 H1 G 2 H1 G 2 3.705 3.061 3.358 22 1H2 G 2 1H2 G 2 6.966 4.291 3.314 23 2H2 G 2 2H2 G 2 5.267 4.619 3.057 24 1H5* A 3 1H5' A 3 10.529 1.894 7.848 25 2H5* A 3 2H5' A 3 10.404 2.490 9.514 26 H4* A 3 H4' A 3 10.047 4.323 7.903 27 H3* A 3 H3' A 3 7.603 3.462 9.447 28 1H2* A 3 H2' A 3 6.589 5.508 8.599 29 2HO* A 3 HO2' A 3 7.926 6.899 7.316 30 H1* A 3 H1' A 3 7.499 5.056 6.011 31 H8 A 3 H8 A 3 6.829 1.657 7.337 32 1H6 A 3 1H6 A 3 0.834 2.640 6.121 33 2H6 A 3 2H6 A 3 2.028 1.452 6.595 34 H2 A 3 H2 A 3 3.034 6.517 5.638 35 1H5* G 4 1H5' G 4 7.863 7.579 9.681 36 2H5* G 4 2H5' G 4 7.714 8.128 11.363 37 H4* G 4 H4' G 4 6.059 9.274 9.958 38 H3* G 4 H3' G 4 4.859 7.059 11.592 39 1H2* G 4 H2' G 4 2.781 8.234 10.971 40 2HO* G 4 HO2' G 4 2.983 10.127 9.696 41 H1* G 4 H1' G 4 3.580 8.390 8.383 42 H8 G 4 H8 G 4 4.765 5.027 9.545 43 H1 G 4 H1 G 4 -1.533 5.264 8.349 44 1H2 G 4 1H2 G 4 -2.190 7.367 8.126 45 2H2 G 4 2H2 G 4 -1.071 8.706 8.259 46 1H5* U 5 1H5' U 5 2.694 10.477 12.212 47 2H5* U 5 2H5' U 5 2.270 10.718 13.917 48 H4* U 5 H4' U 5 0.232 10.591 12.502 49 H3* U 5 H3' U 5 0.785 8.301 14.393 50 1H2* U 5 H2' U 5 -1.302 7.411 13.861 51 2HO* U 5 HO2' U 5 -2.437 9.433 13.926 52 H1* U 5 H1' U 5 -1.207 7.956 11.226 53 H3 U 5 H3 U 5 -1.039 3.433 11.486 54 H5 U 5 H5 U 5 2.913 4.787 12.160 55 H6 U 5 H6 U 5 2.082 6.988 12.269 56 1H5* U 6 1H5' U 6 -3.475 10.416 15.186 57 2H5* U 6 2H5' U 6 -3.597 10.310 16.957 58 H4* U 6 H4' U 6 -5.716 9.515 15.938 59 H3* U 6 H3' U 6 -3.985 7.340 17.150 60 1H2* U 6 H2' U 6 -5.941 5.945 16.847 61 2HO* U 6 HO2' U 6 -7.859 6.918 16.041 62 H1* U 6 H1' U 6 -6.375 6.784 14.335 63 H3 U 6 H3 U 6 -4.537 2.595 14.049 64 H5 U 6 H5 U 6 -1.317 5.309 14.185 65 H6 U 6 H6 U 6 -2.906 7.024 14.769 66 1H5* C 7 1H5' C 7 -8.021 6.920 18.589 67 2H5* C 7 2H5' C 7 -7.953 6.605 20.334 68 H4* C 7 H4' C 7 -9.288 4.857 19.219 69 H3* C 7 H3' C 7 -6.571 3.975 20.235 70 1H2* C 7 H2' C 7 -7.372 1.729 19.798 71 2HO* C 7 HO2' C 7 -9.849 3.008 19.242 72 H1* C 7 H1' C 7 -8.387 2.325 17.380 73 1H4 C 7 1H4 C 7 -1.884 1.904 16.328 74 2H4 C 7 2H4 C 7 -2.502 0.278 16.134 75 H5 C 7 H5 C 7 -3.284 3.780 17.114 76 H6 C 7 H6 C 7 -5.495 4.398 17.813 77 1H5* C 8 1H5' C 8 -9.666 1.358 21.690 78 2H5* C 8 2H5' C 8 -9.303 0.887 23.362 79 H4* C 8 H4' C 8 -9.552 -1.127 21.932 80 H3* C 8 H3' C 8 -6.729 -0.505 22.864 81 1H2* C 8 H2' C 8 -6.135 -2.631 22.025 82 2HO* C 8 HO2' C 8 -8.950 -3.087 21.814 83 H1* C 8 H1' C 8 -7.769 -2.453 19.757 84 1H4 C 8 1H4 C 8 -1.758 0.328 18.921 85 2H4 C 8 2H4 C 8 -1.605 -1.312 18.335 86 H5 C 8 H5 C 8 -3.805 1.185 19.973 87 H6 C 8 H6 C 8 -6.062 0.605 20.626 88 H3T C 8 HO3' C 8 -8.346 -0.880 24.481 89 1H5* G 9 1H5' G 9 3.870 -10.226 15.834 90 2H5* G 9 2H5' G 9 3.325 -10.182 14.142 91 H4* G 9 H4' G 9 1.433 -10.727 15.624 92 H3* G 9 H3' G 9 1.344 -7.932 14.447 93 1H2* G 9 H2' G 9 -0.936 -7.895 15.273 94 2HO* G 9 HO2' G 9 -0.442 -10.615 15.968 95 H1* G 9 H1' G 9 -0.243 -8.840 17.718 96 H8 G 9 H8 G 9 2.632 -6.645 16.610 97 H1 G 9 H1 G 9 -2.529 -3.342 18.517 98 1H2 G 9 1H2 G 9 -4.142 -6.428 18.429 99 2H2 G 9 2H2 G 9 -4.268 -4.712 18.740 100 H5T G 9 H5' G 9 4.622 -8.380 14.683 101 1H5* G 10 1H5' G 1 -2.318 -10.210 13.733 102 2H5* G 10 2H5' G 1 -2.842 -9.919 12.065 103 H4* G 10 H4' G 1 -4.713 -9.591 13.618 104 H3* G 10 H3' G 1 -3.666 -7.052 12.366 105 1H2* G 10 H2' G 1 -5.719 -6.071 13.209 106 2HO* G 10 HO2' G 1 -6.325 -8.719 14.049 107 H1* G 10 H1' G 1 -5.349 -7.045 15.659 108 H8 G 10 H8 G 1 -1.875 -6.576 14.384 109 H1 G 10 H1 G 1 -4.636 -1.116 16.323 110 1H2 G 10 1H2 G 1 -7.568 -3.000 16.374 111 2H2 G 10 2H2 G 1 -6.816 -1.443 16.638 112 1H5* A 11 1H5' A 1 -7.819 -7.224 11.829 113 2H5* A 11 2H5' A 1 -8.248 -6.758 10.172 114 H4* A 11 H4' A 1 -9.478 -5.391 11.808 115 H3* A 11 H3' A 1 -7.356 -3.937 10.234 116 1H2* A 11 H2' A 1 -8.348 -1.899 11.118 117 2HO* A 11 HO2' A 1 -10.325 -3.688 12.176 118 H1* A 11 H1' A 1 -8.503 -2.911 13.702 119 H8 A 11 H8 A 1 -5.408 -4.427 12.333 120 1H6 A 11 1H6 A 1 -2.553 0.939 13.532 121 2H6 A 11 2H6 A 1 -2.333 -0.730 13.053 122 H2 A 11 H2 A 1 -6.965 1.531 14.061 123 1H5* G 12 1H5' G 1 -10.770 -1.632 10.075 124 2H5* G 12 2H5' G 1 -11.149 -1.185 8.399 125 H4* G 12 H4' G 1 -11.012 0.833 9.783 126 H3* G 12 H3' G 1 -8.544 0.412 8.122 127 1H2* G 12 H2' G 1 -8.196 2.780 8.722 128 2HO* G 12 HO2' G 1 -9.804 3.786 10.008 129 H1* G 12 H1' G 1 -8.783 2.261 11.320 130 H8 G 12 H8 G 1 -6.853 -0.734 10.138 131 H1 G 12 H1 G 1 -3.189 4.392 11.338 132 1H2 G 12 1H2 G 1 -4.450 6.194 11.582 133 2H2 G 12 2H2 G 1 -6.195 6.128 11.458 134 1H5* U 13 1H5' U 1 -9.944 4.208 7.491 135 2H5* U 13 2H5' U 1 -9.890 4.682 5.783 136 H4* U 13 H4' U 1 -8.542 6.231 7.180 137 H3* U 13 H3' U 1 -7.073 4.394 5.287 138 1H2* U 13 H2' U 1 -5.097 5.511 5.793 139 2HO* U 13 HO2' U 1 -5.150 7.471 6.997 140 H1* U 13 H1' U 1 -5.567 5.791 8.434 141 H3 U 13 H3 U 1 -2.070 2.921 8.180 142 H5 U 13 H5 U 1 -5.538 0.587 7.528 143 H6 U 13 H6 U 1 -6.791 2.579 7.414 144 1H5* U 14 1H5' U 1 -6.170 9.001 4.627 145 2H5* U 14 2H5' U 1 -6.052 9.141 2.858 146 H4* U 14 H4' U 1 -4.133 10.314 3.870 147 H3* U 14 H3' U 1 -3.429 7.664 2.574 148 1H2* U 14 H2' U 1 -1.138 8.365 2.888 149 2HO* U 14 HO2' U 1 -2.286 10.828 3.732 150 H1* U 14 H1' U 1 -1.523 9.169 5.419 151 H3 U 14 H3 U 1 0.692 5.172 5.674 152 H5 U 14 H5 U 1 -3.412 4.247 5.458 153 H6 U 14 H6 U 1 -3.809 6.554 4.894 154 1H5* C 15 1H5' C 1 -0.659 10.656 1.191 155 2H5* C 15 2H5' C 1 -0.461 10.448 -0.559 156 H4* C 15 H4' C 1 1.745 10.414 0.536 157 H3* C 15 H3' C 1 0.782 7.736 -0.513 158 1H2* C 15 H2' C 1 3.058 7.005 -0.110 159 2HO* C 15 HO2' C 1 3.549 9.741 0.482 160 H1* C 15 H1' C 1 3.223 8.146 2.323 161 1H4 C 15 1H4 C 1 -0.344 2.688 3.351 162 2H4 C 15 2H4 C 1 1.328 2.205 3.532 163 H5 C 15 H5 C 1 -1.008 4.941 2.587 164 H6 C 15 H6 C 1 -0.179 7.086 1.901 165 1H5* C 16 1H5' C 1 4.729 8.658 -2.000 166 2H5* C 16 2H5' C 1 4.876 8.094 -3.676 167 H4* C 16 H4' C 1 6.647 7.080 -2.255 168 H3* C 16 H3' C 1 4.462 5.197 -3.208 169 1H2* C 16 H2' C 1 5.816 3.445 -2.381 170 2HO* C 16 HO2' C 1 7.801 4.262 -3.236 171 H1* C 16 H1' C 1 6.662 4.849 -0.107 172 1H4 C 16 1H4 C 1 0.863 1.657 0.758 173 2H4 C 16 2H4 C 1 2.096 0.560 1.335 174 H5 C 16 H5 C 1 1.380 3.815 -0.292 175 H6 C 16 H6 C 1 3.180 5.291 -0.953 176 H3T C 16 HO3' C 1 7.091 5.846 -4.122 Start of MODEL 6 1 1H5* G 1 1H5' G 1 6.548 -9.063 2.825 2 2H5* G 1 2H5' G 1 6.830 -8.752 4.553 3 H4* G 1 H4' G 1 8.269 -7.288 3.182 4 H3* G 1 H3' G 1 5.970 -5.824 4.518 5 1H2* G 1 H2' G 1 7.208 -3.833 3.881 6 2HO* G 1 HO2' G 1 9.235 -4.109 2.842 7 H1* G 1 H1' G 1 7.611 -4.720 1.344 8 H8 G 1 H8 G 1 4.171 -5.928 2.380 9 H1 G 1 H1 G 1 4.385 0.309 0.883 10 1H2 G 1 1H2 G 1 7.839 -0.127 0.930 11 2H2 G 1 2H2 G 1 6.499 0.972 0.698 12 H5T G 1 H5' G 1 4.968 -7.455 4.556 13 1H5* G 2 1H5' G 2 9.894 -4.137 5.393 14 2H5* G 2 2H5' G 2 9.947 -3.648 7.097 15 H4* G 2 H4' G 2 10.716 -1.814 5.648 16 H3* G 2 H3' G 2 8.029 -1.337 6.937 17 1H2* G 2 H2' G 2 8.406 0.962 6.247 18 2HO* G 2 HO2' G 2 10.361 1.442 5.139 19 H1* G 2 H1' G 2 8.995 0.258 3.747 20 H8 G 2 H8 G 2 6.605 -2.379 4.870 21 H1 G 2 H1 G 2 3.749 3.135 3.239 22 1H2 G 2 1H2 G 2 6.985 4.429 3.240 23 2H2 G 2 2H2 G 2 5.279 4.734 2.998 24 1H5* A 3 1H5' A 3 10.605 1.915 7.679 25 2H5* A 3 2H5' A 3 10.456 2.457 9.361 26 H4* A 3 H4' A 3 10.095 4.332 7.796 27 H3* A 3 H3' A 3 7.653 3.410 9.306 28 1H2* A 3 H2' A 3 6.631 5.478 8.514 29 2HO* A 3 HO2' A 3 7.965 6.901 7.260 30 H1* A 3 H1' A 3 7.538 5.091 5.915 31 H8 A 3 H8 A 3 6.906 1.654 7.161 32 1H6 A 3 1H6 A 3 0.895 2.604 5.999 33 2H6 A 3 2H6 A 3 2.102 1.417 6.445 34 H2 A 3 H2 A 3 3.055 6.508 5.579 35 1H5* G 4 1H5' G 4 7.916 7.521 9.640 36 2H5* G 4 2H5' G 4 7.751 8.038 11.330 37 H4* G 4 H4' G 4 6.127 9.213 9.914 38 H3* G 4 H3' G 4 4.907 7.006 11.535 39 1H2* G 4 H2' G 4 2.829 8.160 10.910 40 2HO* G 4 HO2' G 4 4.552 10.068 9.712 41 H1* G 4 H1' G 4 3.629 8.339 8.325 42 H8 G 4 H8 G 4 4.827 4.972 9.455 43 H1 G 4 H1 G 4 -1.484 5.194 8.333 44 1H2 G 4 1H2 G 4 -2.150 7.295 8.128 45 2H2 G 4 2H2 G 4 -1.035 8.638 8.255 46 1H5* U 5 1H5' U 5 2.732 10.408 12.152 47 2H5* U 5 2H5' U 5 2.310 10.654 13.857 48 H4* U 5 H4' U 5 0.272 10.511 12.439 49 H3* U 5 H3' U 5 0.836 8.251 14.359 50 1H2* U 5 H2' U 5 -1.234 7.331 13.843 51 2HO* U 5 HO2' U 5 -2.766 8.538 12.620 52 H1* U 5 H1' U 5 -1.160 7.863 11.197 53 H3 U 5 H3 U 5 -0.989 3.344 11.484 54 H5 U 5 H5 U 5 2.970 4.708 12.084 55 H6 U 5 H6 U 5 2.137 6.908 12.204 56 1H5* U 6 1H5' U 6 -3.397 10.305 14.948 57 2H5* U 6 2H5' U 6 -3.591 10.330 16.716 58 H4* U 6 H4' U 6 -5.678 9.476 15.706 59 H3* U 6 H3' U 6 -3.983 7.355 17.059 60 1H2* U 6 H2' U 6 -5.923 5.942 16.770 61 2HO* U 6 HO2' U 6 -7.828 6.868 15.887 62 H1* U 6 H1' U 6 -6.310 6.671 14.215 63 H3 U 6 H3 U 6 -4.449 2.492 14.087 64 H5 U 6 H5 U 6 -1.247 5.230 14.195 65 H6 U 6 H6 U 6 -2.854 6.945 14.725 66 1H5* C 7 1H5' C 7 -8.065 7.005 18.420 67 2H5* C 7 2H5' C 7 -8.034 6.757 20.176 68 H4* C 7 H4' C 7 -9.342 4.959 19.105 69 H3* C 7 H3' C 7 -6.637 4.118 20.190 70 1H2* C 7 H2' C 7 -7.461 1.862 19.839 71 2HO* C 7 HO2' C 7 -9.616 1.586 19.124 72 H1* C 7 H1' C 7 -8.435 2.377 17.384 73 1H4 C 7 1H4 C 7 -1.927 1.821 16.431 74 2H4 C 7 2H4 C 7 -2.571 0.201 16.276 75 H5 C 7 H5 C 7 -3.304 3.744 17.143 76 H6 C 7 H6 C 7 -5.513 4.420 17.794 77 1H5* C 8 1H5' C 8 -9.839 1.636 21.714 78 2H5* C 8 2H5' C 8 -9.500 1.195 23.400 79 H4* C 8 H4' C 8 -9.823 -0.845 22.017 80 H3* C 8 H3' C 8 -6.980 -0.317 22.949 81 1H2* C 8 H2' C 8 -6.493 -2.503 22.182 82 2HO* C 8 HO2' C 8 -8.475 -3.411 23.060 83 H1* C 8 H1' C 8 -8.076 -2.293 19.885 84 1H4 C 8 1H4 C 8 -1.949 0.231 19.074 85 2H4 C 8 2H4 C 8 -1.861 -1.418 18.499 86 H5 C 8 H5 C 8 -3.963 1.179 20.109 87 H6 C 8 H6 C 8 -6.247 0.701 20.748 88 H3T C 8 HO3' C 8 -8.622 -0.582 24.568 89 1H5* G 9 1H5' G 9 3.340 -10.785 16.744 90 2H5* G 9 2H5' G 9 2.917 -10.759 15.017 91 H4* G 9 H4' G 9 0.883 -11.013 16.405 92 H3* G 9 H3' G 9 1.160 -8.291 15.093 93 1H2* G 9 H2' G 9 -1.175 -8.041 15.734 94 2HO* G 9 HO2' G 9 -2.212 -9.818 16.743 95 H1* G 9 H1' G 9 -0.731 -8.955 18.256 96 H8 G 9 H8 G 9 2.315 -6.921 17.286 97 H1 G 9 H1 G 9 -2.807 -3.355 18.776 98 1H2 G 9 1H2 G 9 -4.541 -6.373 18.668 99 2H2 G 9 2H2 G 9 -4.613 -4.644 18.924 100 H5T G 9 H5' G 9 3.405 -8.500 16.665 101 1H5* G 10 1H5' G 1 -2.576 -10.391 14.188 102 2H5* G 10 2H5' G 1 -2.998 -10.114 12.489 103 H4* G 10 H4' G 1 -4.927 -9.671 13.945 104 H3* G 10 H3' G 1 -3.722 -7.211 12.680 105 1H2* G 10 H2' G 1 -5.774 -6.135 13.397 106 2HO* G 10 HO2' G 1 -6.518 -8.734 14.276 107 H1* G 10 H1' G 1 -5.560 -7.053 15.885 108 H8 G 10 H8 G 1 -2.019 -6.726 14.747 109 H1 G 10 H1 G 1 -4.689 -1.135 16.428 110 1H2 G 10 1H2 G 1 -7.672 -2.936 16.424 111 2H2 G 10 2H2 G 1 -6.886 -1.393 16.673 112 1H5* A 11 1H5' A 1 -7.869 -7.305 11.962 113 2H5* A 11 2H5' A 1 -8.222 -6.845 10.286 114 H4* A 11 H4' A 1 -9.492 -5.451 11.876 115 H3* A 11 H3' A 1 -7.314 -4.038 10.344 116 1H2* A 11 H2' A 1 -8.318 -1.980 11.171 117 2HO* A 11 HO2' A 1 -10.330 -3.743 12.207 118 H1* A 11 H1' A 1 -8.543 -2.953 13.764 119 H8 A 11 H8 A 1 -5.430 -4.516 12.490 120 1H6 A 11 1H6 A 1 -2.553 0.845 13.664 121 2H6 A 11 2H6 A 1 -2.337 -0.831 13.210 122 H2 A 11 H2 A 1 -6.968 1.476 14.110 123 1H5* G 12 1H5' G 1 -10.736 -1.740 10.069 124 2H5* G 12 2H5' G 1 -11.069 -1.296 8.383 125 H4* G 12 H4' G 1 -10.980 0.720 9.782 126 H3* G 12 H3' G 1 -8.484 0.320 8.161 127 1H2* G 12 H2' G 1 -8.164 2.691 8.772 128 2HO* G 12 HO2' G 1 -9.797 3.678 10.041 129 H1* G 12 H1' G 1 -8.776 2.158 11.359 130 H8 G 12 H8 G 1 -6.824 -0.833 10.220 131 H1 G 12 H1 G 1 -3.183 4.323 11.363 132 1H2 G 12 1H2 G 1 -4.453 6.124 11.575 133 2H2 G 12 2H2 G 1 -6.197 6.048 11.446 134 1H5* U 13 1H5' U 1 -9.901 4.103 7.527 135 2H5* U 13 2H5' U 1 -9.840 4.587 5.822 136 H4* U 13 H4' U 1 -8.518 6.142 7.241 137 H3* U 13 H3' U 1 -7.025 4.337 5.336 138 1H2* U 13 H2' U 1 -5.059 5.462 5.860 139 2HO* U 13 HO2' U 1 -5.131 7.409 7.087 140 H1* U 13 H1' U 1 -5.536 5.708 8.502 141 H3 U 13 H3 U 1 -2.021 2.860 8.202 142 H5 U 13 H5 U 1 -5.487 0.513 7.590 143 H6 U 13 H6 U 1 -6.746 2.499 7.479 144 1H5* U 14 1H5' U 1 -6.163 8.957 4.742 145 2H5* U 14 2H5' U 1 -6.061 9.127 2.975 146 H4* U 14 H4' U 1 -4.149 10.308 3.995 147 H3* U 14 H3' U 1 -3.430 7.695 2.635 148 1H2* U 14 H2' U 1 -1.143 8.409 2.943 149 2HO* U 14 HO2' U 1 -2.304 10.841 3.854 150 H1* U 14 H1' U 1 -1.509 9.149 5.495 151 H3 U 14 H3 U 1 0.735 5.156 5.599 152 H5 U 14 H5 U 1 -3.373 4.226 5.497 153 H6 U 14 H6 U 1 -3.789 6.542 4.982 154 1H5* C 15 1H5' C 1 -0.709 10.758 1.301 155 2H5* C 15 2H5' C 1 -0.525 10.597 -0.455 156 H4* C 15 H4' C 1 1.691 10.568 0.621 157 H3* C 15 H3' C 1 0.757 7.908 -0.496 158 1H2* C 15 H2' C 1 3.045 7.198 -0.135 159 2HO* C 15 HO2' C 1 3.506 9.922 0.530 160 H1* C 15 H1' C 1 3.220 8.270 2.328 161 1H4 C 15 1H4 C 1 -0.262 2.735 3.234 162 2H4 C 15 2H4 C 1 1.418 2.269 3.385 163 H5 C 15 H5 C 1 -0.965 4.999 2.543 164 H6 C 15 H6 C 1 -0.172 7.174 1.910 165 1H5* C 16 1H5' C 1 4.675 8.964 -1.999 166 2H5* C 16 2H5' C 1 4.821 8.444 -3.690 167 H4* C 16 H4' C 1 6.631 7.443 -2.306 168 H3* C 16 H3' C 1 4.488 5.526 -3.287 169 1H2* C 16 H2' C 1 5.906 3.793 -2.518 170 2HO* C 16 HO2' C 1 8.074 4.322 -1.864 171 H1* C 16 H1' C 1 6.716 5.162 -0.211 172 1H4 C 16 1H4 C 1 1.012 1.794 0.604 173 2H4 C 16 2H4 C 1 2.278 0.720 1.153 174 H5 C 16 H5 C 1 1.465 3.985 -0.407 175 H6 C 16 H6 C 1 3.221 5.524 -1.042 176 H3T C 16 HO3' C 1 7.113 6.168 -4.207 Start of MODEL 7 1 1H5* G 1 1H5' G 1 6.097 -9.248 3.722 2 2H5* G 1 2H5' G 1 6.382 -8.828 5.427 3 H4* G 1 H4' G 1 7.886 -7.518 3.971 4 H3* G 1 H3' G 1 5.634 -5.903 5.208 5 1H2* G 1 H2' G 1 6.926 -3.988 4.449 6 2HO* G 1 HO2' G 1 8.947 -4.382 3.436 7 H1* G 1 H1' G 1 7.308 -5.036 1.972 8 H8 G 1 H8 G 1 3.837 -6.087 3.080 9 H1 G 1 H1 G 1 4.210 0.032 1.182 10 1H2 G 1 1H2 G 1 7.653 -0.488 1.259 11 2H2 G 1 2H2 G 1 6.341 0.628 0.955 12 H5T G 1 H5' G 1 4.158 -8.869 4.902 13 1H5* G 2 1H5' G 2 9.622 -4.278 5.984 14 2H5* G 2 2H5' G 2 9.684 -3.691 7.656 15 H4* G 2 H4' G 2 10.513 -1.967 6.110 16 H3* G 2 H3' G 2 7.831 -1.337 7.345 17 1H2* G 2 H2' G 2 8.286 0.906 6.526 18 2HO* G 2 HO2' G 2 10.261 1.257 5.404 19 H1* G 2 H1' G 2 8.863 0.038 4.076 20 H8 G 2 H8 G 2 6.393 -2.457 5.350 21 H1 G 2 H1 G 2 3.698 3.016 3.350 22 1H2 G 2 1H2 G 2 6.967 4.222 3.296 23 2H2 G 2 2H2 G 2 5.272 4.556 3.022 24 1H5* A 3 1H5' A 3 10.478 1.878 7.926 25 2H5* A 3 2H5' A 3 10.335 2.514 9.576 26 H4* A 3 H4' A 3 10.034 4.307 7.911 27 H3* A 3 H3' A 3 7.566 3.535 9.462 28 1H2* A 3 H2' A 3 6.572 5.556 8.542 29 2HO* A 3 HO2' A 3 9.208 6.007 7.502 30 H1* A 3 H1' A 3 7.490 5.024 5.974 31 H8 A 3 H8 A 3 6.793 1.666 7.394 32 1H6 A 3 1H6 A 3 0.808 2.651 6.133 33 2H6 A 3 2H6 A 3 1.992 1.468 6.645 34 H2 A 3 H2 A 3 3.034 6.494 5.539 35 1H5* G 4 1H5' G 4 7.840 7.643 9.560 36 2H5* G 4 2H5' G 4 7.676 8.256 11.218 37 H4* G 4 H4' G 4 6.038 9.336 9.744 38 H3* G 4 H3' G 4 4.840 7.216 11.492 39 1H2* G 4 H2' G 4 2.751 8.303 10.801 40 2HO* G 4 HO2' G 4 4.450 10.170 9.507 41 H1* G 4 H1' G 4 3.553 8.364 8.210 42 H8 G 4 H8 G 4 4.768 5.062 9.483 43 H1 G 4 H1 G 4 -1.552 5.209 8.402 44 1H2 G 4 1H2 G 4 -2.232 7.296 8.122 45 2H2 G 4 2H2 G 4 -1.122 8.649 8.184 46 1H5* U 5 1H5' U 5 2.601 10.602 11.911 47 2H5* U 5 2H5' U 5 2.181 10.942 13.599 48 H4* U 5 H4' U 5 0.140 10.662 12.201 49 H3* U 5 H3' U 5 0.777 8.565 14.276 50 1H2* U 5 H2' U 5 -1.239 7.511 13.824 51 2HO* U 5 HO2' U 5 -2.838 8.559 12.545 52 H1* U 5 H1' U 5 -1.224 7.895 11.156 53 H3 U 5 H3 U 5 -0.912 3.418 11.618 54 H5 U 5 H5 U 5 3.012 4.918 12.135 55 H6 U 5 H6 U 5 2.115 7.097 12.171 56 1H5* U 6 1H5' U 6 -3.553 10.375 14.635 57 2H5* U 6 2H5' U 6 -3.757 10.604 16.386 58 H4* U 6 H4' U 6 -5.779 9.494 15.477 59 H3* U 6 H3' U 6 -3.947 7.792 17.179 60 1H2* U 6 H2' U 6 -5.564 6.063 17.055 61 2HO* U 6 HO2' U 6 -7.650 6.517 16.213 62 H1* U 6 H1' U 6 -6.230 6.501 14.428 63 H3 U 6 H3 U 6 -4.159 2.467 14.317 64 H5 U 6 H5 U 6 -1.095 5.364 14.251 65 H6 U 6 H6 U 6 -2.763 7.007 14.807 66 1H5* C 7 1H5' C 7 -6.764 6.111 21.018 67 2H5* C 7 2H5' C 7 -5.631 5.435 19.833 68 H4* C 7 H4' C 7 -8.684 5.194 19.736 69 H3* C 7 H3' C 7 -6.383 3.430 20.552 70 1H2* C 7 H2' C 7 -7.518 1.538 19.675 71 2HO* C 7 HO2' C 7 -9.717 3.312 19.329 72 H1* C 7 H1' C 7 -8.248 2.619 17.369 73 1H4 C 7 1H4 C 7 -1.769 1.744 16.562 74 2H4 C 7 2H4 C 7 -2.464 0.164 16.282 75 H5 C 7 H5 C 7 -3.094 3.667 17.363 76 H6 C 7 H6 C 7 -5.294 4.368 18.025 77 1H5* C 8 1H5' C 8 -9.773 1.112 21.414 78 2H5* C 8 2H5' C 8 -9.616 0.445 23.053 79 H4* C 8 H4' C 8 -9.857 -1.402 21.417 80 H3* C 8 H3' C 8 -7.105 -1.045 22.650 81 1H2* C 8 H2' C 8 -6.501 -3.066 21.625 82 2HO* C 8 HO2' C 8 -8.154 -4.399 20.672 83 H1* C 8 H1' C 8 -7.907 -2.607 19.256 84 1H4 C 8 1H4 C 8 -1.807 0.087 19.225 85 2H4 C 8 2H4 C 8 -1.604 -1.526 18.582 86 H5 C 8 H5 C 8 -3.943 0.913 20.112 87 H6 C 8 H6 C 8 -6.261 0.329 20.496 88 H3T C 8 HO3' C 8 -9.260 -2.845 23.156 89 1H5* G 9 1H5' G 9 3.817 -10.491 15.845 90 2H5* G 9 2H5' G 9 3.284 -10.456 14.149 91 H4* G 9 H4' G 9 1.359 -10.882 15.633 92 H3* G 9 H3' G 9 1.377 -8.089 14.443 93 1H2* G 9 H2' G 9 -0.917 -8.014 15.245 94 2HO* G 9 HO2' G 9 -1.771 -9.898 16.242 95 H1* G 9 H1' G 9 -0.245 -8.992 17.692 96 H8 G 9 H8 G 9 2.644 -6.792 16.643 97 H1 G 9 H1 G 9 -2.544 -3.509 18.514 98 1H2 G 9 1H2 G 9 -4.153 -6.595 18.361 99 2H2 G 9 2H2 G 9 -4.285 -4.883 18.689 100 H5T G 9 H5' G 9 3.283 -8.191 14.262 101 1H5* G 10 1H5' G 1 -2.338 -10.243 13.701 102 2H5* G 10 2H5' G 1 -2.833 -9.939 12.026 103 H4* G 10 H4' G 1 -4.715 -9.533 13.547 104 H3* G 10 H3' G 1 -3.544 -7.028 12.336 105 1H2* G 10 H2' G 1 -5.600 -6.002 13.130 106 2HO* G 10 HO2' G 1 -7.109 -7.342 14.232 107 H1* G 10 H1' G 1 -5.303 -6.997 15.584 108 H8 G 10 H8 G 1 -1.791 -6.618 14.396 109 H1 G 10 H1 G 1 -4.449 -1.082 16.273 110 1H2 G 10 1H2 G 1 -7.432 -2.879 16.248 111 2H2 G 10 2H2 G 1 -6.642 -1.344 16.534 112 1H5* A 11 1H5' A 1 -7.696 -7.159 11.697 113 2H5* A 11 2H5' A 1 -8.093 -6.660 10.042 114 H4* A 11 H4' A 1 -9.357 -5.335 11.692 115 H3* A 11 H3' A 1 -7.230 -3.840 10.165 116 1H2* A 11 H2' A 1 -8.256 -1.825 11.068 117 2HO* A 11 HO2' A 1 -10.223 -3.651 12.077 118 H1* A 11 H1' A 1 -8.427 -2.879 13.634 119 H8 A 11 H8 A 1 -5.301 -4.341 12.284 120 1H6 A 11 1H6 A 1 -2.511 1.024 13.641 121 2H6 A 11 2H6 A 1 -2.269 -0.633 13.135 122 H2 A 11 H2 A 1 -6.940 1.573 14.082 123 1H5* G 12 1H5' G 1 -10.719 -1.619 9.992 124 2H5* G 12 2H5' G 1 -11.078 -1.130 8.323 125 H4* G 12 H4' G 1 -11.026 0.845 9.779 126 H3* G 12 H3' G 1 -8.528 0.551 8.137 127 1H2* G 12 H2' G 1 -8.246 2.900 8.824 128 2HO* G 12 HO2' G 1 -9.897 3.827 10.116 129 H1* G 12 H1' G 1 -8.863 2.281 11.397 130 H8 G 12 H8 G 1 -6.825 -0.609 10.129 131 H1 G 12 H1 G 1 -3.349 4.564 11.651 132 1H2 G 12 1H2 G 1 -6.412 6.199 11.766 133 2H2 G 12 2H2 G 1 -4.675 6.316 11.939 134 1H5* U 13 1H5' U 1 -9.960 4.336 7.606 135 2H5* U 13 2H5' U 1 -9.895 4.852 5.909 136 H4* U 13 H4' U 1 -8.559 6.374 7.336 137 H3* U 13 H3' U 1 -7.056 4.553 5.451 138 1H2* U 13 H2' U 1 -5.092 5.682 6.005 139 2HO* U 13 HO2' U 1 -6.028 7.806 5.946 140 H1* U 13 H1' U 1 -5.603 5.908 8.637 141 H3 U 13 H3 U 1 -2.111 3.024 8.360 142 H5 U 13 H5 U 1 -5.579 0.723 7.609 143 H6 U 13 H6 U 1 -6.823 2.721 7.531 144 1H5* U 14 1H5' U 1 -6.103 9.212 4.660 145 2H5* U 14 2H5' U 1 -5.983 9.233 2.887 146 H4* U 14 H4' U 1 -4.036 10.422 3.855 147 H3* U 14 H3' U 1 -3.420 7.716 2.635 148 1H2* U 14 H2' U 1 -1.107 8.365 2.891 149 2HO* U 14 HO2' U 1 -2.175 10.880 3.682 150 H1* U 14 H1' U 1 -1.433 9.248 5.404 151 H3 U 14 H3 U 1 0.700 5.186 5.598 152 H5 U 14 H5 U 1 -3.436 4.389 5.683 153 H6 U 14 H6 U 1 -3.798 6.702 5.109 154 1H5* C 15 1H5' C 1 -0.610 10.618 1.118 155 2H5* C 15 2H5' C 1 -0.460 10.366 -0.631 156 H4* C 15 H4' C 1 1.772 10.328 0.409 157 H3* C 15 H3' C 1 0.745 7.642 -0.556 158 1H2* C 15 H2' C 1 3.018 6.884 -0.193 159 2HO* C 15 HO2' C 1 3.567 9.624 0.325 160 H1* C 15 H1' C 1 3.265 8.073 2.207 161 1H4 C 15 1H4 C 1 -0.366 2.690 3.414 162 2H4 C 15 2H4 C 1 1.302 2.179 3.557 163 H5 C 15 H5 C 1 -1.012 4.943 2.639 164 H6 C 15 H6 C 1 -0.165 7.066 1.906 165 1H5* C 16 1H5' C 1 4.670 8.511 -2.165 166 2H5* C 16 2H5' C 1 4.776 7.900 -3.828 167 H4* C 16 H4' C 1 6.581 6.923 -2.423 168 H3* C 16 H3' C 1 4.371 5.014 -3.256 169 1H2* C 16 H2' C 1 5.767 3.289 -2.432 170 2HO* C 16 HO2' C 1 7.716 4.209 -3.370 171 H1* C 16 H1' C 1 6.636 4.749 -0.206 172 1H4 C 16 1H4 C 1 0.847 1.584 0.816 173 2H4 C 16 2H4 C 1 2.086 0.506 1.414 174 H5 C 16 H5 C 1 1.351 3.710 -0.304 175 H6 C 16 H6 C 1 3.144 5.166 -1.026 176 H3T C 16 HO3' C 1 5.953 4.544 -4.869 Start of MODEL 8 1 1H5* G 1 1H5' G 1 6.247 -9.191 2.284 2 2H5* G 1 2H5' G 1 6.734 -8.965 3.980 3 H4* G 1 H4' G 1 7.967 -7.400 2.507 4 H3* G 1 H3' G 1 5.856 -6.080 4.245 5 1H2* G 1 H2' G 1 6.955 -4.021 3.579 6 2HO* G 1 HO2' G 1 8.857 -4.170 2.306 7 H1* G 1 H1' G 1 7.141 -4.783 0.959 8 H8 G 1 H8 G 1 3.754 -5.921 2.221 9 H1 G 1 H1 G 1 4.112 0.359 0.952 10 1H2 G 1 1H2 G 1 7.539 -0.209 0.741 11 2H2 G 1 2H2 G 1 6.232 0.949 0.649 12 H5T G 1 H5' G 1 4.439 -7.854 2.731 13 1H5* G 2 1H5' G 2 9.903 -4.377 4.666 14 2H5* G 2 2H5' G 2 10.183 -4.080 6.391 15 H4* G 2 H4' G 2 10.791 -2.097 5.079 16 H3* G 2 H3' G 2 8.322 -1.820 6.778 17 1H2* G 2 H2' G 2 8.450 0.526 6.328 18 2HO* G 2 HO2' G 2 10.952 -0.120 5.124 19 H1* G 2 H1' G 2 8.921 0.202 3.692 20 H8 G 2 H8 G 2 6.596 -2.557 4.683 21 H1 G 2 H1 G 2 3.713 3.036 3.381 22 1H2 G 2 1H2 G 2 6.951 4.324 3.402 23 2H2 G 2 2H2 G 2 5.243 4.641 3.189 24 1H5* A 3 1H5' A 3 9.301 1.789 10.145 25 2H5* A 3 2H5' A 3 7.966 1.345 9.062 26 H4* A 3 H4' A 3 10.034 3.526 8.525 27 H3* A 3 H3' A 3 7.248 3.421 9.615 28 1H2* A 3 H2' A 3 6.626 5.423 8.484 29 2HO* A 3 HO2' A 3 9.412 5.558 7.789 30 H1* A 3 H1' A 3 7.714 4.686 6.056 31 H8 A 3 H8 A 3 6.841 1.340 7.199 32 1H6 A 3 1H6 A 3 0.903 2.590 5.981 33 2H6 A 3 2H6 A 3 2.052 1.344 6.415 34 H2 A 3 H2 A 3 3.226 6.419 5.739 35 1H5* G 4 1H5' G 4 7.807 7.422 9.569 36 2H5* G 4 2H5' G 4 7.597 8.091 11.202 37 H4* G 4 H4' G 4 6.009 9.156 9.647 38 H3* G 4 H3' G 4 4.765 7.081 11.418 39 1H2* G 4 H2' G 4 2.697 8.186 10.668 40 2HO* G 4 HO2' G 4 2.917 9.965 9.235 41 H1* G 4 H1' G 4 3.543 8.118 8.094 42 H8 G 4 H8 G 4 4.761 4.857 9.424 43 H1 G 4 H1 G 4 -1.580 4.984 8.510 44 1H2 G 4 1H2 G 4 -2.275 7.065 8.233 45 2H2 G 4 2H2 G 4 -1.169 8.423 8.254 46 1H5* U 5 1H5' U 5 2.547 10.469 11.721 47 2H5* U 5 2H5' U 5 2.122 10.880 13.394 48 H4* U 5 H4' U 5 0.083 10.566 12.001 49 H3* U 5 H3' U 5 0.697 8.548 14.158 50 1H2* U 5 H2' U 5 -1.311 7.471 13.734 51 2HO* U 5 HO2' U 5 -2.903 8.461 12.402 52 H1* U 5 H1' U 5 -1.278 7.736 11.056 53 H3 U 5 H3 U 5 -0.925 3.291 11.720 54 H5 U 5 H5 U 5 2.990 4.850 12.124 55 H6 U 5 H6 U 5 2.069 7.016 12.079 56 1H5* U 6 1H5' U 6 -3.628 10.378 14.392 57 2H5* U 6 2H5' U 6 -3.870 10.662 16.130 58 H4* U 6 H4' U 6 -5.874 9.529 15.212 59 H3* U 6 H3' U 6 -4.092 7.850 16.990 60 1H2* U 6 H2' U 6 -5.769 6.158 16.890 61 2HO* U 6 HO2' U 6 -7.558 7.639 17.107 62 H1* U 6 H1' U 6 -6.313 6.503 14.235 63 H3 U 6 H3 U 6 -4.243 2.467 14.341 64 H5 U 6 H5 U 6 -1.175 5.360 14.276 65 H6 U 6 H6 U 6 -2.857 7.022 14.720 66 1H5* C 7 1H5' C 7 -6.994 6.346 20.857 67 2H5* C 7 2H5' C 7 -5.842 5.604 19.731 68 H4* C 7 H4' C 7 -8.896 5.407 19.569 69 H3* C 7 H3' C 7 -6.639 3.648 20.503 70 1H2* C 7 H2' C 7 -7.753 1.736 19.652 71 2HO* C 7 HO2' C 7 -9.939 3.500 19.187 72 H1* C 7 H1' C 7 -8.418 2.738 17.294 73 1H4 C 7 1H4 C 7 -1.921 1.852 16.678 74 2H4 C 7 2H4 C 7 -2.602 0.258 16.452 75 H5 C 7 H5 C 7 -3.274 3.802 17.363 76 H6 C 7 H6 C 7 -5.490 4.518 17.946 77 1H5* C 8 1H5' C 8 -10.064 1.377 21.344 78 2H5* C 8 2H5' C 8 -9.958 0.771 23.010 79 H4* C 8 H4' C 8 -10.156 -1.138 21.450 80 H3* C 8 H3' C 8 -7.422 -0.732 22.711 81 1H2* C 8 H2' C 8 -6.817 -2.803 21.791 82 2HO* C 8 HO2' C 8 -8.856 -3.827 22.377 83 H1* C 8 H1' C 8 -8.149 -2.422 19.372 84 1H4 C 8 1H4 C 8 -2.061 0.302 19.431 85 2H4 C 8 2H4 C 8 -1.836 -1.326 18.834 86 H5 C 8 H5 C 8 -4.223 1.141 20.239 87 H6 C 8 H6 C 8 -6.548 0.557 20.575 88 H3T C 8 HO3' C 8 -9.230 -1.151 24.105 89 1H5* G 9 1H5' G 9 3.733 -10.356 16.723 90 2H5* G 9 2H5' G 9 3.281 -10.349 15.003 91 H4* G 9 H4' G 9 1.291 -10.778 16.403 92 H3* G 9 H3' G 9 1.355 -8.019 15.141 93 1H2* G 9 H2' G 9 -0.978 -7.929 15.826 94 2HO* G 9 HO2' G 9 -1.874 -9.786 16.839 95 H1* G 9 H1' G 9 -0.430 -8.826 18.330 96 H8 G 9 H8 G 9 2.513 -6.661 17.363 97 H1 G 9 H1 G 9 -2.767 -3.320 18.832 98 1H2 G 9 1H2 G 9 -4.366 -6.412 18.705 99 2H2 G 9 2H2 G 9 -4.515 -4.689 18.964 100 H5T G 9 H5' G 9 4.613 -8.575 15.567 101 1H5* G 10 1H5' G 1 -2.310 -10.228 14.293 102 2H5* G 10 2H5' G 1 -2.731 -9.983 12.589 103 H4* G 10 H4' G 1 -4.681 -9.565 14.018 104 H3* G 10 H3' G 1 -3.503 -7.097 12.742 105 1H2* G 10 H2' G 1 -5.574 -6.039 13.423 106 2HO* G 10 HO2' G 1 -6.298 -8.640 14.317 107 H1* G 10 H1' G 1 -5.382 -6.929 15.924 108 H8 G 10 H8 G 1 -1.823 -6.589 14.868 109 H1 G 10 H1 G 1 -4.563 -0.995 16.424 110 1H2 G 10 1H2 G 1 -7.540 -2.802 16.355 111 2H2 G 10 2H2 G 1 -6.764 -1.255 16.614 112 1H5* A 11 1H5' A 1 -7.642 -7.282 11.964 113 2H5* A 11 2H5' A 1 -7.976 -6.852 10.276 114 H4* A 11 H4' A 1 -9.300 -5.453 11.817 115 H3* A 11 H3' A 1 -7.098 -4.013 10.342 116 1H2* A 11 H2' A 1 -8.209 -1.980 11.109 117 2HO* A 11 HO2' A 1 -10.162 -2.237 12.325 118 H1* A 11 H1' A 1 -8.461 -2.942 13.704 119 H8 A 11 H8 A 1 -5.274 -4.415 12.509 120 1H6 A 11 1H6 A 1 -2.578 1.016 13.785 121 2H6 A 11 2H6 A 1 -2.306 -0.652 13.331 122 H2 A 11 H2 A 1 -7.023 1.530 14.092 123 1H5* G 12 1H5' G 1 -10.633 -1.899 9.914 124 2H5* G 12 2H5' G 1 -10.919 -1.439 8.223 125 H4* G 12 H4' G 1 -11.010 0.541 9.682 126 H3* G 12 H3' G 1 -8.449 0.344 8.123 127 1H2* G 12 H2' G 1 -8.296 2.711 8.808 128 2HO* G 12 HO2' G 1 -10.668 2.973 8.646 129 H1* G 12 H1' G 1 -8.936 2.064 11.368 130 H8 G 12 H8 G 1 -6.781 -0.772 10.192 131 H1 G 12 H1 G 1 -3.486 4.538 11.642 132 1H2 G 12 1H2 G 1 -4.870 6.258 11.856 133 2H2 G 12 2H2 G 1 -6.599 6.085 11.653 134 1H5* U 13 1H5' U 1 -9.950 4.107 7.484 135 2H5* U 13 2H5' U 1 -9.832 4.589 5.781 136 H4* U 13 H4' U 1 -8.570 6.148 7.248 137 H3* U 13 H3' U 1 -6.998 4.354 5.397 138 1H2* U 13 H2' U 1 -5.054 5.480 6.005 139 2HO* U 13 HO2' U 1 -5.179 7.414 7.247 140 H1* U 13 H1' U 1 -5.623 5.693 8.627 141 H3 U 13 H3 U 1 -2.121 2.824 8.377 142 H5 U 13 H5 U 1 -5.594 0.512 7.675 143 H6 U 13 H6 U 1 -6.832 2.506 7.556 144 1H5* U 14 1H5' U 1 -6.086 8.964 4.897 145 2H5* U 14 2H5' U 1 -5.950 9.164 3.135 146 H4* U 14 H4' U 1 -4.052 10.325 4.219 147 H3* U 14 H3' U 1 -3.311 7.743 2.810 148 1H2* U 14 H2' U 1 -1.031 8.487 3.156 149 2HO* U 14 HO2' U 1 -1.686 10.778 2.824 150 H1* U 14 H1' U 1 -1.439 9.111 5.732 151 H3 U 14 H3 U 1 0.778 5.086 5.692 152 H5 U 14 H5 U 1 -3.352 4.230 5.681 153 H6 U 14 H6 U 1 -3.737 6.554 5.196 154 1H5* C 15 1H5' C 1 -0.534 10.841 1.502 155 2H5* C 15 2H5' C 1 -0.366 10.663 -0.253 156 H4* C 15 H4' C 1 1.852 10.608 0.833 157 H3* C 15 H3' C 1 0.873 7.982 -0.320 158 1H2* C 15 H2' C 1 3.143 7.224 0.039 159 2HO* C 15 HO2' C 1 3.659 9.928 0.740 160 H1* C 15 H1' C 1 3.338 8.249 2.513 161 1H4 C 15 1H4 C 1 -0.258 2.773 3.317 162 2H4 C 15 2H4 C 1 1.413 2.265 3.442 163 H5 C 15 H5 C 1 -0.914 5.073 2.689 164 H6 C 15 H6 C 1 -0.076 7.242 2.102 165 1H5* C 16 1H5' C 1 4.816 9.015 -1.805 166 2H5* C 16 2H5' C 1 4.958 8.516 -3.502 167 H4* C 16 H4' C 1 6.756 7.474 -2.137 168 H3* C 16 H3' C 1 4.585 5.595 -3.125 169 1H2* C 16 H2' C 1 5.991 3.835 -2.387 170 2HO* C 16 HO2' C 1 7.946 4.843 -3.216 171 H1* C 16 H1' C 1 6.780 5.142 -0.048 172 1H4 C 16 1H4 C 1 0.955 1.943 0.592 173 2H4 C 16 2H4 C 1 2.171 0.833 1.178 174 H5 C 16 H5 C 1 1.498 4.125 -0.391 175 H6 C 16 H6 C 1 3.314 5.615 -0.967 176 H3T C 16 HO3' C 1 6.203 5.242 -4.732 Start of MODEL 9 1 1H5* G 1 1H5' G 1 6.192 -9.269 3.690 2 2H5* G 1 2H5' G 1 6.502 -8.871 5.395 3 H4* G 1 H4' G 1 7.963 -7.523 3.934 4 H3* G 1 H3' G 1 5.714 -5.927 5.202 5 1H2* G 1 H2' G 1 6.994 -4.008 4.442 6 2HO* G 1 HO2' G 1 9.007 -4.392 3.410 7 H1* G 1 H1' G 1 7.359 -5.049 1.958 8 H8 G 1 H8 G 1 3.894 -6.100 3.083 9 H1 G 1 H1 G 1 4.263 0.023 1.197 10 1H2 G 1 1H2 G 1 7.706 -0.500 1.260 11 2H2 G 1 2H2 G 1 6.393 0.618 0.962 12 H5T G 1 H5' G 1 4.674 -7.532 5.350 13 1H5* G 2 1H5' G 2 9.690 -4.284 5.958 14 2H5* G 2 2H5' G 2 9.759 -3.709 7.634 15 H4* G 2 H4' G 2 10.562 -1.966 6.097 16 H3* G 2 H3' G 2 7.882 -1.372 7.352 17 1H2* G 2 H2' G 2 8.305 0.881 6.548 18 2HO* G 2 HO2' G 2 10.271 1.268 5.424 19 H1* G 2 H1' G 2 8.888 0.038 4.087 20 H8 G 2 H8 G 2 6.442 -2.486 5.350 21 H1 G 2 H1 G 2 3.700 2.978 3.388 22 1H2 G 2 1H2 G 2 6.960 4.208 3.330 23 2H2 G 2 2H2 G 2 5.261 4.531 3.064 24 1H5* A 3 1H5' A 3 10.497 1.871 7.944 25 2H5* A 3 2H5' A 3 10.352 2.492 9.598 26 H4* A 3 H4' A 3 10.013 4.297 7.949 27 H3* A 3 H3' A 3 7.555 3.469 9.489 28 1H2* A 3 H2' A 3 6.556 5.504 8.595 29 2HO* A 3 HO2' A 3 7.908 6.864 7.295 30 H1* A 3 H1' A 3 7.483 5.000 6.023 31 H8 A 3 H8 A 3 6.794 1.627 7.406 32 1H6 A 3 1H6 A 3 0.803 2.613 6.153 33 2H6 A 3 2H6 A 3 1.989 1.427 6.654 34 H2 A 3 H2 A 3 3.024 6.465 5.595 35 1H5* G 4 1H5' G 4 7.842 7.587 9.646 36 2H5* G 4 2H5' G 4 7.662 8.181 11.310 37 H4* G 4 H4' G 4 6.042 9.291 9.829 38 H3* G 4 H3' G 4 4.806 7.150 11.532 39 1H2* G 4 H2' G 4 2.742 8.298 10.827 40 2HO* G 4 HO2' G 4 2.970 10.140 9.478 41 H1* G 4 H1' G 4 3.581 8.353 8.250 42 H8 G 4 H8 G 4 4.741 5.032 9.533 43 H1 G 4 H1 G 4 -1.557 5.255 8.342 44 1H2 G 4 1H2 G 4 -2.207 7.351 8.052 45 2H2 G 4 2H2 G 4 -1.082 8.689 8.134 46 1H5* U 5 1H5' U 5 2.614 10.561 11.960 47 2H5* U 5 2H5' U 5 2.174 10.892 13.646 48 H4* U 5 H4' U 5 0.150 10.668 12.219 49 H3* U 5 H3' U 5 0.716 8.532 14.273 50 1H2* U 5 H2' U 5 -1.312 7.515 13.771 51 2HO* U 5 HO2' U 5 -1.915 9.906 12.355 52 H1* U 5 H1' U 5 -1.241 7.912 11.115 53 H3 U 5 H3 U 5 -0.958 3.430 11.582 54 H5 U 5 H5 U 5 2.964 4.909 12.161 55 H6 U 5 H6 U 5 2.078 7.090 12.181 56 1H5* U 6 1H5' U 6 -3.610 10.364 14.614 57 2H5* U 6 2H5' U 6 -3.809 10.588 16.367 58 H4* U 6 H4' U 6 -5.839 9.492 15.468 59 H3* U 6 H3' U 6 -4.007 7.748 17.129 60 1H2* U 6 H2' U 6 -5.681 6.057 17.011 61 2HO* U 6 HO2' U 6 -7.466 7.518 17.340 62 H1* U 6 H1' U 6 -6.303 6.500 14.388 63 H3 U 6 H3 U 6 -4.219 2.466 14.324 64 H5 U 6 H5 U 6 -1.170 5.375 14.199 65 H6 U 6 H6 U 6 -2.843 7.019 14.741 66 1H5* C 7 1H5' C 7 -6.766 6.101 21.033 67 2H5* C 7 2H5' C 7 -5.646 5.405 19.847 68 H4* C 7 H4' C 7 -8.701 5.181 19.786 69 H3* C 7 H3' C 7 -6.392 3.419 20.578 70 1H2* C 7 H2' C 7 -7.511 1.522 19.701 71 2HO* C 7 HO2' C 7 -9.735 3.270 19.377 72 H1* C 7 H1' C 7 -8.275 2.595 17.404 73 1H4 C 7 1H4 C 7 -1.794 1.813 16.536 74 2H4 C 7 2H4 C 7 -2.465 0.218 16.283 75 H5 C 7 H5 C 7 -3.145 3.723 17.328 76 H6 C 7 H6 C 7 -5.348 4.392 18.008 77 1H5* C 8 1H5' C 8 -9.725 1.053 21.451 78 2H5* C 8 2H5' C 8 -9.554 0.398 23.093 79 H4* C 8 H4' C 8 -9.752 -1.467 21.480 80 H3* C 8 H3' C 8 -6.991 -1.029 22.670 81 1H2* C 8 H2' C 8 -6.362 -3.051 21.667 82 2HO* C 8 HO2' C 8 -8.351 -4.149 22.290 83 H1* C 8 H1' C 8 -7.792 -2.639 19.307 84 1H4 C 8 1H4 C 8 -1.759 0.207 19.230 85 2H4 C 8 2H4 C 8 -1.520 -1.404 18.594 86 H5 C 8 H5 C 8 -3.912 0.986 20.119 87 H6 C 8 H6 C 8 -6.214 0.346 20.516 88 H3T C 8 HO3' C 8 -8.744 -1.536 24.104 89 1H5* G 9 1H5' G 9 3.946 -10.313 15.489 90 2H5* G 9 2H5' G 9 3.324 -10.273 13.823 91 H4* G 9 H4' G 9 1.483 -10.703 15.417 92 H3* G 9 H3' G 9 1.437 -7.924 14.195 93 1H2* G 9 H2' G 9 -0.820 -7.853 15.104 94 2HO* G 9 HO2' G 9 -1.626 -9.733 16.138 95 H1* G 9 H1' G 9 -0.036 -8.844 17.518 96 H8 G 9 H8 G 9 2.750 -6.555 16.389 97 H1 G 9 H1 G 9 -2.458 -3.436 18.471 98 1H2 G 9 1H2 G 9 -3.986 -6.565 18.341 99 2H2 G 9 2H2 G 9 -4.154 -4.860 18.693 100 H5T G 9 H5' G 9 3.845 -8.025 15.477 101 1H5* G 10 1H5' G 1 -2.290 -10.167 13.631 102 2H5* G 10 2H5' G 1 -2.861 -9.881 11.977 103 H4* G 10 H4' G 1 -4.689 -9.529 13.576 104 H3* G 10 H3' G 1 -3.652 -6.993 12.305 105 1H2* G 10 H2' G 1 -5.716 -6.035 13.178 106 2HO* G 10 HO2' G 1 -6.897 -8.095 12.859 107 H1* G 10 H1' G 1 -5.268 -7.001 15.626 108 H8 G 10 H8 G 1 -1.821 -6.533 14.297 109 H1 G 10 H1 G 1 -4.526 -1.072 16.314 110 1H2 G 10 1H2 G 1 -7.475 -2.926 16.356 111 2H2 G 10 2H2 G 1 -6.707 -1.378 16.632 112 1H5* A 11 1H5' A 1 -7.859 -7.140 11.730 113 2H5* A 11 2H5' A 1 -8.237 -6.633 10.074 114 H4* A 11 H4' A 1 -9.467 -5.272 11.727 115 H3* A 11 H3' A 1 -7.298 -3.829 10.209 116 1H2* A 11 H2' A 1 -8.318 -1.799 11.100 117 2HO* A 11 HO2' A 1 -10.228 -2.056 12.388 118 H1* A 11 H1' A 1 -8.496 -2.860 13.667 119 H8 A 11 H8 A 1 -5.387 -4.358 12.326 120 1H6 A 11 1H6 A 1 -2.548 1.003 13.622 121 2H6 A 11 2H6 A 1 -2.319 -0.659 13.123 122 H2 A 11 H2 A 1 -6.968 1.580 14.102 123 1H5* G 12 1H5' G 1 -10.774 -1.585 10.021 124 2H5* G 12 2H5' G 1 -11.125 -1.091 8.352 125 H4* G 12 H4' G 1 -11.083 0.872 9.821 126 H3* G 12 H3' G 1 -8.599 0.588 8.164 127 1H2* G 12 H2' G 1 -8.277 2.918 8.858 128 2HO* G 12 HO2' G 1 -10.837 2.651 10.050 129 H1* G 12 H1' G 1 -8.900 2.313 11.434 130 H8 G 12 H8 G 1 -6.884 -0.592 10.167 131 H1 G 12 H1 G 1 -3.367 4.568 11.632 132 1H2 G 12 1H2 G 1 -4.679 6.331 11.919 133 2H2 G 12 2H2 G 1 -6.418 6.223 11.761 134 1H5* U 13 1H5' U 1 -9.983 4.389 7.649 135 2H5* U 13 2H5' U 1 -9.925 4.901 5.951 136 H4* U 13 H4' U 1 -8.546 6.399 7.367 137 H3* U 13 H3' U 1 -7.103 4.554 5.459 138 1H2* U 13 H2' U 1 -5.109 5.638 5.990 139 2HO* U 13 HO2' U 1 -5.996 7.782 5.936 140 H1* U 13 H1' U 1 -5.591 5.888 8.628 141 H3 U 13 H3 U 1 -2.139 2.962 8.339 142 H5 U 13 H5 U 1 -5.645 0.698 7.638 143 H6 U 13 H6 U 1 -6.864 2.712 7.557 144 1H5* U 14 1H5' U 1 -6.081 9.199 4.663 145 2H5* U 14 2H5' U 1 -5.972 9.222 2.889 146 H4* U 14 H4' U 1 -3.992 10.371 3.846 147 H3* U 14 H3' U 1 -3.434 7.651 2.626 148 1H2* U 14 H2' U 1 -1.111 8.281 2.859 149 2HO* U 14 HO2' U 1 -0.621 10.382 3.638 150 H1* U 14 H1' U 1 -1.410 9.159 5.377 151 H3 U 14 H3 U 1 0.682 5.082 5.572 152 H5 U 14 H5 U 1 -3.461 4.321 5.665 153 H6 U 14 H6 U 1 -3.804 6.635 5.083 154 1H5* C 15 1H5' C 1 -0.646 10.587 1.098 155 2H5* C 15 2H5' C 1 -0.456 10.320 -0.644 156 H4* C 15 H4' C 1 1.756 10.328 0.460 157 H3* C 15 H3' C 1 0.809 7.620 -0.529 158 1H2* C 15 H2' C 1 3.118 6.953 -0.138 159 2HO* C 15 HO2' C 1 3.900 9.110 -0.832 160 H1* C 15 H1' C 1 3.240 8.106 2.291 161 1H4 C 15 1H4 C 1 -0.298 2.644 3.389 162 2H4 C 15 2H4 C 1 1.375 2.174 3.595 163 H5 C 15 H5 C 1 -0.969 4.870 2.568 164 H6 C 15 H6 C 1 -0.148 7.011 1.852 165 1H5* C 16 1H5' C 1 4.764 8.492 -2.210 166 2H5* C 16 2H5' C 1 4.807 7.834 -3.856 167 H4* C 16 H4' C 1 6.628 6.865 -2.456 168 H3* C 16 H3' C 1 4.374 4.982 -3.228 169 1H2* C 16 H2' C 1 5.748 3.249 -2.387 170 2HO* C 16 HO2' C 1 7.957 3.731 -1.839 171 H1* C 16 H1' C 1 6.685 4.735 -0.206 172 1H4 C 16 1H4 C 1 0.887 1.598 0.879 173 2H4 C 16 2H4 C 1 2.128 0.499 1.436 174 H5 C 16 H5 C 1 1.390 3.743 -0.205 175 H6 C 16 H6 C 1 3.182 5.198 -0.932 176 H3T C 16 HO3' C 1 6.989 5.441 -4.279 Start of MODEL 10 1 1H5* G 1 1H5' G 1 6.121 -8.961 2.589 2 2H5* G 1 2H5' G 1 6.426 -8.641 4.312 3 H4* G 1 H4' G 1 7.954 -7.299 2.917 4 H3* G 1 H3' G 1 5.759 -5.704 4.274 5 1H2* G 1 H2' G 1 7.052 -3.766 3.595 6 2HO* G 1 HO2' G 1 8.956 -5.690 2.697 7 H1* G 1 H1' G 1 7.378 -4.666 1.057 8 H8 G 1 H8 G 1 3.928 -5.793 2.138 9 H1 G 1 H1 G 1 4.267 0.455 0.710 10 1H2 G 1 1H2 G 1 7.711 -0.063 0.696 11 2H2 G 1 2H2 G 1 6.394 1.070 0.497 12 H5T G 1 H5' G 1 4.198 -8.597 3.793 13 1H5* G 2 1H5' G 2 9.766 -4.152 5.059 14 2H5* G 2 2H5' G 2 9.871 -3.679 6.764 15 H4* G 2 H4' G 2 10.676 -1.863 5.314 16 H3* G 2 H3' G 2 8.034 -1.295 6.662 17 1H2* G 2 H2' G 2 8.501 1.001 5.985 18 2HO* G 2 HO2' G 2 10.862 0.675 6.253 19 H1* G 2 H1' G 2 8.973 0.286 3.461 20 H8 G 2 H8 G 2 6.548 -2.302 4.612 21 H1 G 2 H1 G 2 3.778 3.293 3.118 22 1H2 G 2 1H2 G 2 7.037 4.526 3.090 23 2H2 G 2 2H2 G 2 5.334 4.868 2.882 24 1H5* A 3 1H5' A 3 10.695 1.920 7.489 25 2H5* A 3 2H5' A 3 10.530 2.394 9.188 26 H4* A 3 H4' A 3 10.192 4.317 7.677 27 H3* A 3 H3' A 3 7.752 3.370 9.171 28 1H2* A 3 H2' A 3 6.725 5.455 8.440 29 2HO* A 3 HO2' A 3 9.341 6.023 7.410 30 H1* A 3 H1' A 3 7.617 5.144 5.826 31 H8 A 3 H8 A 3 7.002 1.665 6.948 32 1H6 A 3 1H6 A 3 0.970 2.655 5.923 33 2H6 A 3 2H6 A 3 2.183 1.454 6.307 34 H2 A 3 H2 A 3 3.124 6.572 5.603 35 1H5* G 4 1H5' G 4 8.050 7.468 9.630 36 2H5* G 4 2H5' G 4 7.888 7.940 11.333 37 H4* G 4 H4' G 4 6.273 9.162 9.944 38 H3* G 4 H3' G 4 5.037 6.927 11.517 39 1H2* G 4 H2' G 4 2.971 8.109 10.916 40 2HO* G 4 HO2' G 4 4.703 10.030 9.757 41 H1* G 4 H1' G 4 3.767 8.335 8.336 42 H8 G 4 H8 G 4 4.943 4.938 9.406 43 H1 G 4 H1 G 4 -1.370 5.230 8.305 44 1H2 G 4 1H2 G 4 -2.019 7.341 8.140 45 2H2 G 4 2H2 G 4 -0.892 8.671 8.286 46 1H5* U 5 1H5' U 5 2.874 10.325 12.204 47 2H5* U 5 2H5' U 5 2.441 10.537 13.911 48 H4* U 5 H4' U 5 0.414 10.430 12.469 49 H3* U 5 H3' U 5 0.945 8.140 14.362 50 1H2* U 5 H2' U 5 -1.120 7.229 13.803 51 2HO* U 5 HO2' U 5 -2.629 8.454 12.568 52 H1* U 5 H1' U 5 -1.005 7.783 11.167 53 H3 U 5 H3 U 5 -0.821 3.268 11.435 54 H5 U 5 H5 U 5 3.132 4.644 12.056 55 H6 U 5 H6 U 5 2.287 6.838 12.191 56 1H5* U 6 1H5' U 6 -3.285 10.193 14.856 57 2H5* U 6 2H5' U 6 -3.529 10.224 16.618 58 H4* U 6 H4' U 6 -5.596 9.392 15.538 59 H3* U 6 H3' U 6 -3.976 7.270 16.977 60 1H2* U 6 H2' U 6 -5.918 5.874 16.632 61 2HO* U 6 HO2' U 6 -7.779 6.805 15.667 62 H1* U 6 H1' U 6 -6.204 6.570 14.058 63 H3 U 6 H3 U 6 -4.371 2.368 14.073 64 H5 U 6 H5 U 6 -1.164 5.108 14.141 65 H6 U 6 H6 U 6 -2.770 6.833 14.627 66 1H5* C 7 1H5' C 7 -8.125 7.040 18.162 67 2H5* C 7 2H5' C 7 -8.194 6.774 19.914 68 H4* C 7 H4' C 7 -9.491 5.027 18.730 69 H3* C 7 H3' C 7 -6.900 4.107 20.010 70 1H2* C 7 H2' C 7 -7.758 1.878 19.586 71 2HO* C 7 HO2' C 7 -9.859 1.661 18.713 72 H1* C 7 H1' C 7 -8.529 2.422 17.070 73 1H4 C 7 1H4 C 7 -1.997 1.688 16.539 74 2H4 C 7 2H4 C 7 -2.674 0.089 16.323 75 H5 C 7 H5 C 7 -3.360 3.642 17.190 76 H6 C 7 H6 C 7 -5.585 4.376 17.708 77 1H5* C 8 1H5' C 8 -10.243 1.675 21.284 78 2H5* C 8 2H5' C 8 -10.033 1.232 22.990 79 H4* C 8 H4' C 8 -10.268 -0.809 21.595 80 H3* C 8 H3' C 8 -7.497 -0.290 22.724 81 1H2* C 8 H2' C 8 -6.956 -2.476 21.991 82 2HO* C 8 HO2' C 8 -8.999 -3.390 22.708 83 H1* C 8 H1' C 8 -8.345 -2.262 19.580 84 1H4 C 8 1H4 C 8 -2.206 0.348 19.288 85 2H4 C 8 2H4 C 8 -2.052 -1.290 18.695 86 H5 C 8 H5 C 8 -4.307 1.260 20.166 87 H6 C 8 H6 C 8 -6.626 0.747 20.618 88 H3T C 8 HO3' C 8 -8.305 -1.793 24.277 89 1H5* G 9 1H5' G 9 3.436 -10.569 17.737 90 2H5* G 9 2H5' G 9 2.933 -10.885 16.060 91 H4* G 9 H4' G 9 0.976 -10.932 17.577 92 H3* G 9 H3' G 9 1.089 -8.502 15.757 93 1H2* G 9 H2' G 9 -1.231 -8.205 16.463 94 2HO* G 9 HO2' G 9 -1.545 -10.587 16.519 95 H1* G 9 H1' G 9 -0.632 -8.628 19.087 96 H8 G 9 H8 G 9 2.289 -6.691 17.660 97 H1 G 9 H1 G 9 -2.897 -3.109 18.864 98 1H2 G 9 1H2 G 9 -4.525 -6.164 19.228 99 2H2 G 9 2H2 G 9 -4.651 -4.420 19.245 100 H5T G 9 H5' G 9 3.402 -8.339 17.224 101 1H5* G 10 1H5' G 1 -2.796 -10.693 15.332 102 2H5* G 10 2H5' G 1 -3.116 -10.736 13.591 103 H4* G 10 H4' G 1 -5.089 -9.918 14.805 104 H3* G 10 H3' G 1 -3.644 -7.864 13.147 105 1H2* G 10 H2' G 1 -5.568 -6.478 13.479 106 2HO* G 10 HO2' G 1 -7.379 -7.360 14.580 107 H1* G 10 H1' G 1 -5.728 -7.004 16.121 108 H8 G 10 H8 G 1 -2.076 -6.971 15.309 109 H1 G 10 H1 G 1 -4.651 -1.168 16.307 110 1H2 G 10 1H2 G 1 -7.687 -2.872 16.224 111 2H2 G 10 2H2 G 1 -6.866 -1.340 16.421 112 1H5* A 11 1H5' A 1 -6.969 -6.415 9.617 113 2H5* A 11 2H5' A 1 -5.834 -5.618 10.726 114 H4* A 11 H4' A 1 -8.839 -5.910 11.176 115 H3* A 11 H3' A 1 -7.018 -3.788 10.108 116 1H2* A 11 H2' A 1 -8.262 -2.053 11.170 117 2HO* A 11 HO2' A 1 -10.083 -4.171 11.852 118 H1* A 11 H1' A 1 -8.400 -3.323 13.618 119 H8 A 11 H8 A 1 -5.198 -4.710 12.597 120 1H6 A 11 1H6 A 1 -2.563 0.766 13.775 121 2H6 A 11 2H6 A 1 -2.276 -0.915 13.384 122 H2 A 11 H2 A 1 -7.015 1.296 13.874 123 1H5* G 12 1H5' G 1 -10.542 -1.809 10.010 124 2H5* G 12 2H5' G 1 -10.903 -1.281 8.351 125 H4* G 12 H4' G 1 -10.858 0.668 9.850 126 H3* G 12 H3' G 1 -8.375 0.379 8.193 127 1H2* G 12 H2' G 1 -8.069 2.722 8.888 128 2HO* G 12 HO2' G 1 -9.689 3.639 10.229 129 H1* G 12 H1' G 1 -8.621 2.069 11.460 130 H8 G 12 H8 G 1 -6.677 -0.874 10.213 131 H1 G 12 H1 G 1 -3.041 4.282 11.335 132 1H2 G 12 1H2 G 1 -4.312 6.079 11.578 133 2H2 G 12 2H2 G 1 -6.057 5.998 11.480 134 1H5* U 13 1H5' U 1 -9.796 4.163 7.712 135 2H5* U 13 2H5' U 1 -9.781 4.701 6.021 136 H4* U 13 H4' U 1 -8.418 6.210 7.448 137 H3* U 13 H3' U 1 -6.983 4.456 5.452 138 1H2* U 13 H2' U 1 -4.994 5.545 5.962 139 2HO* U 13 HO2' U 1 -5.015 7.456 7.246 140 H1* U 13 H1' U 1 -5.402 5.717 8.621 141 H3 U 13 H3 U 1 -1.925 2.850 8.145 142 H5 U 13 H5 U 1 -5.433 0.550 7.585 143 H6 U 13 H6 U 1 -6.674 2.550 7.559 144 1H5* U 14 1H5' U 1 -6.079 9.089 4.964 145 2H5* U 14 2H5' U 1 -6.017 9.300 3.199 146 H4* U 14 H4' U 1 -4.057 10.426 4.201 147 H3* U 14 H3' U 1 -3.410 7.833 2.767 148 1H2* U 14 H2' U 1 -1.110 8.534 3.028 149 2HO* U 14 HO2' U 1 -0.693 10.586 3.968 150 H1* U 14 H1' U 1 -1.408 9.198 5.608 151 H3 U 14 H3 U 1 0.803 5.187 5.545 152 H5 U 14 H5 U 1 -3.316 4.295 5.529 153 H6 U 14 H6 U 1 -3.724 6.626 5.083 154 1H5* C 15 1H5' C 1 -0.715 10.925 1.443 155 2H5* C 15 2H5' C 1 -0.547 10.798 -0.318 156 H4* C 15 H4' C 1 1.679 10.753 0.747 157 H3* C 15 H3' C 1 0.744 8.122 -0.436 158 1H2* C 15 H2' C 1 3.038 7.406 -0.105 159 2HO* C 15 HO2' C 1 3.493 10.111 0.639 160 H1* C 15 H1' C 1 3.216 8.401 2.388 161 1H4 C 15 1H4 C 1 -0.292 2.859 3.137 162 2H4 C 15 2H4 C 1 1.386 2.384 3.283 163 H5 C 15 H5 C 1 -0.983 5.141 2.499 164 H6 C 15 H6 C 1 -0.181 7.329 1.928 165 1H5* C 16 1H5' C 1 4.654 9.176 -1.915 166 2H5* C 16 2H5' C 1 4.783 8.718 -3.625 167 H4* C 16 H4' C 1 6.587 7.640 -2.303 168 H3* C 16 H3' C 1 4.400 5.789 -3.310 169 1H2* C 16 H2' C 1 5.788 4.006 -2.618 170 2HO* C 16 HO2' C 1 7.817 5.998 -2.319 171 H1* C 16 H1' C 1 6.654 5.280 -0.279 172 1H4 C 16 1H4 C 1 0.881 2.014 0.471 173 2H4 C 16 2H4 C 1 2.127 0.893 0.971 174 H5 C 16 H5 C 1 1.375 4.231 -0.461 175 H6 C 16 H6 C 1 3.160 5.751 -1.057 176 H3T C 16 HO3' C 1 5.620 6.979 -4.880 Start of MODEL 11 1 1H5* G 1 1H5' G 1 6.472 -8.964 1.775 2 2H5* G 1 2H5' G 1 6.930 -8.800 3.486 3 H4* G 1 H4' G 1 8.264 -7.261 2.094 4 H3* G 1 H3' G 1 6.160 -5.886 3.794 5 1H2* G 1 H2' G 1 7.318 -3.845 3.183 6 2HO* G 1 HO2' G 1 9.199 -5.605 1.960 7 H1* G 1 H1' G 1 7.477 -4.522 0.557 8 H8 G 1 H8 G 1 4.125 -5.793 1.773 9 H1 G 1 H1 G 1 4.317 0.543 0.769 10 1H2 G 1 1H2 G 1 7.759 0.076 0.541 11 2H2 G 1 2H2 G 1 6.421 1.202 0.497 12 H5T G 1 H5' G 1 5.111 -7.477 3.778 13 1H5* G 2 1H5' G 2 10.147 -4.186 4.320 14 2H5* G 2 2H5' G 2 10.408 -3.950 6.057 15 H4* G 2 H4' G 2 10.984 -1.904 4.831 16 H3* G 2 H3' G 2 8.493 -1.754 6.515 17 1H2* G 2 H2' G 2 8.562 0.611 6.158 18 2HO* G 2 HO2' G 2 11.088 0.079 4.948 19 H1* G 2 H1' G 2 9.055 0.403 3.516 20 H8 G 2 H8 G 2 6.813 -2.470 4.361 21 H1 G 2 H1 G 2 3.762 3.086 3.313 22 1H2 G 2 1H2 G 2 6.957 4.471 3.400 23 2H2 G 2 2H2 G 2 5.241 4.744 3.196 24 1H5* A 3 1H5' A 3 9.363 1.750 10.022 25 2H5* A 3 2H5' A 3 8.048 1.323 8.908 26 H4* A 3 H4' A 3 10.085 3.555 8.470 27 H3* A 3 H3' A 3 7.293 3.371 9.537 28 1H2* A 3 H2' A 3 6.663 5.419 8.487 29 2HO* A 3 HO2' A 3 9.450 5.591 7.804 30 H1* A 3 H1' A 3 7.761 4.774 6.035 31 H8 A 3 H8 A 3 6.928 1.379 7.044 32 1H6 A 3 1H6 A 3 0.977 2.592 5.851 33 2H6 A 3 2H6 A 3 2.141 1.347 6.243 34 H2 A 3 H2 A 3 3.245 6.460 5.767 35 1H5* G 4 1H5' G 4 7.855 7.378 9.654 36 2H5* G 4 2H5' G 4 7.643 7.977 11.314 37 H4* G 4 H4' G 4 6.085 9.128 9.805 38 H3* G 4 H3' G 4 4.801 6.991 11.465 39 1H2* G 4 H2' G 4 2.747 8.131 10.761 40 2HO* G 4 HO2' G 4 4.509 9.981 9.526 41 H1* G 4 H1' G 4 3.602 8.190 8.188 42 H8 G 4 H8 G 4 4.787 4.865 9.422 43 H1 G 4 H1 G 4 -1.528 5.059 8.351 44 1H2 G 4 1H2 G 4 -2.202 7.156 8.118 45 2H2 G 4 2H2 G 4 -1.087 8.502 8.207 46 1H5* U 5 1H5' U 5 2.617 10.382 11.939 47 2H5* U 5 2H5' U 5 2.180 10.693 13.631 48 H4* U 5 H4' U 5 0.155 10.489 12.210 49 H3* U 5 H3' U 5 0.715 8.294 14.207 50 1H2* U 5 H2' U 5 -1.346 7.341 13.699 51 2HO* U 5 HO2' U 5 -1.886 9.771 12.323 52 H1* U 5 H1' U 5 -1.244 7.770 11.042 53 H3 U 5 H3 U 5 -1.005 3.270 11.534 54 H5 U 5 H5 U 5 2.932 4.726 12.073 55 H6 U 5 H6 U 5 2.062 6.913 12.094 56 1H5* U 6 1H5' U 6 -3.547 10.318 14.715 57 2H5* U 6 2H5' U 6 -3.737 10.403 16.481 58 H4* U 6 H4' U 6 -5.815 9.498 15.505 59 H3* U 6 H3' U 6 -4.106 7.443 16.937 60 1H2* U 6 H2' U 6 -6.020 5.992 16.692 61 2HO* U 6 HO2' U 6 -7.322 8.316 15.694 62 H1* U 6 H1' U 6 -6.417 6.622 14.116 63 H3 U 6 H3 U 6 -4.484 2.467 14.188 64 H5 U 6 H5 U 6 -1.332 5.263 14.142 65 H6 U 6 H6 U 6 -2.968 6.975 14.585 66 1H5* C 7 1H5' C 7 -8.194 7.111 18.298 67 2H5* C 7 2H5' C 7 -8.171 6.912 20.060 68 H4* C 7 H4' C 7 -9.471 5.090 19.023 69 H3* C 7 H3' C 7 -6.785 4.277 20.172 70 1H2* C 7 H2' C 7 -7.589 2.010 19.868 71 2HO* C 7 HO2' C 7 -10.041 3.259 19.157 72 H1* C 7 H1' C 7 -8.540 2.450 17.388 73 1H4 C 7 1H4 C 7 -2.014 1.891 16.541 74 2H4 C 7 2H4 C 7 -2.653 0.267 16.410 75 H5 C 7 H5 C 7 -3.404 3.825 17.188 76 H6 C 7 H6 C 7 -5.625 4.514 17.786 77 1H5* C 8 1H5' C 8 -10.000 1.821 21.724 78 2H5* C 8 2H5' C 8 -9.677 1.425 23.424 79 H4* C 8 H4' C 8 -9.973 -0.649 22.081 80 H3* C 8 H3' C 8 -7.152 -0.086 23.056 81 1H2* C 8 H2' C 8 -6.633 -2.282 22.334 82 2HO* C 8 HO2' C 8 -8.368 -3.695 21.702 83 H1* C 8 H1' C 8 -8.203 -2.139 20.018 84 1H4 C 8 1H4 C 8 -2.064 0.346 19.186 85 2H4 C 8 2H4 C 8 -1.976 -1.318 18.657 86 H5 C 8 H5 C 8 -4.083 1.329 20.177 87 H6 C 8 H6 C 8 -6.374 0.875 20.811 88 H3T C 8 HO3' C 8 -9.256 -1.765 24.007 89 1H5* G 9 1H5' G 9 3.284 -10.633 17.269 90 2H5* G 9 2H5' G 9 2.906 -10.678 15.531 91 H4* G 9 H4' G 9 0.839 -10.949 16.858 92 H3* G 9 H3' G 9 1.095 -8.252 15.489 93 1H2* G 9 H2' G 9 -1.255 -8.018 16.066 94 2HO* G 9 HO2' G 9 -2.293 -9.781 17.104 95 H1* G 9 H1' G 9 -0.864 -8.838 18.626 96 H8 G 9 H8 G 9 2.211 -6.852 17.628 97 H1 G 9 H1 G 9 -2.909 -3.219 18.960 98 1H2 G 9 1H2 G 9 -4.656 -6.231 18.925 99 2H2 G 9 2H2 G 9 -4.722 -4.495 19.129 100 H5T G 9 H5' G 9 4.301 -8.949 16.081 101 1H5* G 10 1H5' G 1 -2.606 -10.384 14.562 102 2H5* G 10 2H5' G 1 -2.991 -10.153 12.847 103 H4* G 10 H4' G 1 -4.950 -9.645 14.247 104 H3* G 10 H3' G 1 -3.686 -7.227 12.955 105 1H2* G 10 H2' G 1 -5.768 -6.141 13.585 106 2HO* G 10 HO2' G 1 -7.346 -7.403 14.681 107 H1* G 10 H1' G 1 -5.609 -6.996 16.100 108 H8 G 10 H8 G 1 -2.043 -6.689 15.032 109 H1 G 10 H1 G 1 -4.754 -1.068 16.545 110 1H2 G 10 1H2 G 1 -7.734 -2.874 16.526 111 2H2 G 10 2H2 G 1 -6.954 -1.325 16.759 112 1H5* A 11 1H5' A 1 -7.818 -7.375 12.123 113 2H5* A 11 2H5' A 1 -8.132 -6.950 10.431 114 H4* A 11 H4' A 1 -9.465 -5.546 11.960 115 H3* A 11 H3' A 1 -7.266 -4.131 10.459 116 1H2* A 11 H2' A 1 -8.322 -2.073 11.219 117 2HO* A 11 HO2' A 1 -10.333 -3.845 12.238 118 H1* A 11 H1' A 1 -8.594 -2.997 13.825 119 H8 A 11 H8 A 1 -5.433 -4.543 12.644 120 1H6 A 11 1H6 A 1 -2.645 0.867 13.798 121 2H6 A 11 2H6 A 1 -2.401 -0.813 13.374 122 H2 A 11 H2 A 1 -7.075 1.454 14.142 123 1H5* G 12 1H5' G 1 -10.729 -1.912 10.042 124 2H5* G 12 2H5' G 1 -11.020 -1.488 8.342 125 H4* G 12 H4' G 1 -11.013 0.538 9.735 126 H3* G 12 H3' G 1 -8.472 0.184 8.174 127 1H2* G 12 H2' G 1 -8.210 2.558 8.786 128 2HO* G 12 HO2' G 1 -9.890 3.521 10.012 129 H1* G 12 H1' G 1 -8.870 2.025 11.359 130 H8 G 12 H8 G 1 -6.837 -0.933 10.279 131 H1 G 12 H1 G 1 -3.318 4.306 11.432 132 1H2 G 12 1H2 G 1 -4.629 6.083 11.607 133 2H2 G 12 2H2 G 1 -6.369 5.969 11.452 134 1H5* U 13 1H5' U 1 -9.912 3.945 7.496 135 2H5* U 13 2H5' U 1 -9.817 4.429 5.792 136 H4* U 13 H4' U 1 -8.538 5.994 7.244 137 H3* U 13 H3' U 1 -6.995 4.212 5.358 138 1H2* U 13 H2' U 1 -5.041 5.336 5.935 139 2HO* U 13 HO2' U 1 -5.144 7.267 7.184 140 H1* U 13 H1' U 1 -5.565 5.549 8.567 141 H3 U 13 H3 U 1 -2.055 2.702 8.273 142 H5 U 13 H5 U 1 -5.523 0.363 7.642 143 H6 U 13 H6 U 1 -6.774 2.353 7.520 144 1H5* U 14 1H5' U 1 -6.118 8.830 4.882 145 2H5* U 14 2H5' U 1 -6.005 9.050 3.121 146 H4* U 14 H4' U 1 -4.108 10.216 4.200 147 H3* U 14 H3' U 1 -3.373 7.666 2.734 148 1H2* U 14 H2' U 1 -1.090 8.367 3.082 149 2HO* U 14 HO2' U 1 -2.257 10.758 4.088 150 H1* U 14 H1' U 1 -1.461 9.005 5.658 151 H3 U 14 H3 U 1 0.791 5.005 5.582 152 H5 U 14 H5 U 1 -3.330 4.104 5.580 153 H6 U 14 H6 U 1 -3.743 6.429 5.117 154 1H5* C 15 1H5' C 1 -0.679 10.831 1.560 155 2H5* C 15 2H5' C 1 -0.455 10.744 -0.196 156 H4* C 15 H4' C 1 1.740 10.691 0.942 157 H3* C 15 H3' C 1 0.863 8.082 -0.331 158 1H2* C 15 H2' C 1 3.158 7.399 0.046 159 2HO* C 15 HO2' C 1 4.631 8.927 0.894 160 H1* C 15 H1' C 1 3.249 8.336 2.564 161 1H4 C 15 1H4 C 1 -0.139 2.704 3.126 162 2H4 C 15 2H4 C 1 1.545 2.265 3.305 163 H5 C 15 H5 C 1 -0.871 4.981 2.509 164 H6 C 15 H6 C 1 -0.107 7.197 1.992 165 1H5* C 16 1H5' C 1 4.801 9.306 -1.680 166 2H5* C 16 2H5' C 1 5.006 8.866 -3.388 167 H4* C 16 H4' C 1 6.805 7.850 -2.003 168 H3* C 16 H3' C 1 4.738 5.928 -3.125 169 1H2* C 16 H2' C 1 6.180 4.193 -2.395 170 2HO* C 16 HO2' C 1 8.305 4.749 -1.635 171 H1* C 16 H1' C 1 6.858 5.447 0.007 172 1H4 C 16 1H4 C 1 1.137 2.032 0.397 173 2H4 C 16 2H4 C 1 2.376 0.946 0.980 174 H5 C 16 H5 C 1 1.627 4.257 -0.510 175 H6 C 16 H6 C 1 3.402 5.826 -0.996 176 H3T C 16 HO3' C 1 7.375 6.665 -3.935 Start of MODEL 12 1 1H5* G 1 1H5' G 1 6.337 -9.217 3.312 2 2H5* G 1 2H5' G 1 6.573 -8.816 5.028 3 H4* G 1 H4' G 1 8.062 -7.449 3.604 4 H3* G 1 H3' G 1 5.771 -5.913 4.870 5 1H2* G 1 H2' G 1 7.011 -3.949 4.161 6 2HO* G 1 HO2' G 1 9.011 -5.824 3.385 7 H1* G 1 H1' G 1 7.462 -4.933 1.669 8 H8 G 1 H8 G 1 3.982 -6.055 2.660 9 H1 G 1 H1 G 1 4.324 0.137 1.013 10 1H2 G 1 1H2 G 1 7.771 -0.348 1.143 11 2H2 G 1 2H2 G 1 6.453 0.764 0.854 12 H5T G 1 H5' G 1 4.521 -7.834 3.331 13 1H5* G 2 1H5' G 2 9.739 -4.240 5.721 14 2H5* G 2 2H5' G 2 9.777 -3.704 7.411 15 H4* G 2 H4' G 2 10.614 -1.937 5.928 16 H3* G 2 H3' G 2 7.923 -1.356 7.163 17 1H2* G 2 H2' G 2 8.336 0.910 6.406 18 2HO* G 2 HO2' G 2 10.852 -0.111 5.562 19 H1* G 2 H1' G 2 8.947 0.130 3.937 20 H8 G 2 H8 G 2 6.511 -2.445 5.112 21 H1 G 2 H1 G 2 3.739 3.049 3.287 22 1H2 G 2 1H2 G 2 6.989 4.305 3.281 23 2H2 G 2 2H2 G 2 5.290 4.622 3.012 24 1H5* A 3 1H5' A 3 10.532 1.877 7.844 25 2H5* A 3 2H5' A 3 10.369 2.472 9.507 26 H4* A 3 H4' A 3 10.059 4.296 7.876 27 H3* A 3 H3' A 3 7.591 3.473 9.400 28 1H2* A 3 H2' A 3 6.592 5.512 8.519 29 2HO* A 3 HO2' A 3 9.228 5.991 7.492 30 H1* A 3 H1' A 3 7.518 5.032 5.944 31 H8 A 3 H8 A 3 6.841 1.642 7.290 32 1H6 A 3 1H6 A 3 0.847 2.620 6.055 33 2H6 A 3 2H6 A 3 2.039 1.433 6.541 34 H2 A 3 H2 A 3 3.051 6.488 5.544 35 1H5* G 4 1H5' G 4 7.870 7.582 9.580 36 2H5* G 4 2H5' G 4 7.684 8.171 11.244 37 H4* G 4 H4' G 4 6.073 9.275 9.752 38 H3* G 4 H3' G 4 4.844 7.151 11.474 39 1H2* G 4 H2' G 4 2.768 8.256 10.765 40 2HO* G 4 HO2' G 4 4.494 10.113 9.493 41 H1* G 4 H1' G 4 3.595 8.313 8.184 42 H8 G 4 H8 G 4 4.793 5.007 9.460 43 H1 G 4 H1 G 4 -1.522 5.172 8.360 44 1H2 G 4 1H2 G 4 -2.196 7.261 8.081 45 2H2 G 4 2H2 G 4 -1.083 8.610 8.146 46 1H5* U 5 1H5' U 5 2.619 10.540 11.881 47 2H5* U 5 2H5' U 5 2.183 10.882 13.565 48 H4* U 5 H4' U 5 0.157 10.618 12.144 49 H3* U 5 H3' U 5 0.754 8.520 14.229 50 1H2* U 5 H2' U 5 -1.262 7.471 13.750 51 2HO* U 5 HO2' U 5 -1.902 9.835 12.304 52 H1* U 5 H1' U 5 -1.209 7.840 11.086 53 H3 U 5 H3 U 5 -0.895 3.366 11.600 54 H5 U 5 H5 U 5 3.024 4.878 12.118 55 H6 U 5 H6 U 5 2.122 7.054 12.130 56 1H5* U 6 1H5' U 6 -3.578 10.339 14.540 57 2H5* U 6 2H5' U 6 -3.789 10.587 16.289 58 H4* U 6 H4' U 6 -5.811 9.475 15.387 59 H3* U 6 H3' U 6 -3.991 7.764 17.095 60 1H2* U 6 H2' U 6 -5.657 6.063 16.988 61 2HO* U 6 HO2' U 6 -7.452 7.523 17.275 62 H1* U 6 H1' U 6 -6.258 6.464 14.352 63 H3 U 6 H3 U 6 -4.165 2.436 14.368 64 H5 U 6 H5 U 6 -1.123 5.351 14.209 65 H6 U 6 H6 U 6 -2.803 6.998 14.720 66 1H5* C 7 1H5' C 7 -6.810 6.182 20.994 67 2H5* C 7 2H5' C 7 -5.679 5.464 19.830 68 H4* C 7 H4' C 7 -8.735 5.250 19.735 69 H3* C 7 H3' C 7 -6.441 3.487 20.569 70 1H2* C 7 H2' C 7 -7.580 1.590 19.721 71 2HO* C 7 HO2' C 7 -9.739 1.814 18.939 72 H1* C 7 H1' C 7 -8.311 2.637 17.401 73 1H4 C 7 1H4 C 7 -1.834 1.745 16.604 74 2H4 C 7 2H4 C 7 -2.527 0.157 16.367 75 H5 C 7 H5 C 7 -3.163 3.687 17.357 76 H6 C 7 H6 C 7 -5.362 4.399 18.007 77 1H5* C 8 1H5' C 8 -9.865 1.217 21.478 78 2H5* C 8 2H5' C 8 -9.707 0.567 23.124 79 H4* C 8 H4' C 8 -9.992 -1.292 21.508 80 H3* C 8 H3' C 8 -7.234 -0.971 22.735 81 1H2* C 8 H2' C 8 -6.651 -3.003 21.729 82 2HO* C 8 HO2' C 8 -9.448 -3.319 21.228 83 H1* C 8 H1' C 8 -8.042 -2.553 19.353 84 1H4 C 8 1H4 C 8 -1.925 0.104 19.323 85 2H4 C 8 2H4 C 8 -1.734 -1.510 18.678 86 H5 C 8 H5 C 8 -4.055 0.944 20.210 87 H6 C 8 H6 C 8 -6.377 0.376 20.592 88 H3T C 8 HO3' C 8 -8.106 -2.698 24.027 89 1H5* G 9 1H5' G 9 3.642 -10.646 16.208 90 2H5* G 9 2H5' G 9 3.148 -10.574 14.500 91 H4* G 9 H4' G 9 1.180 -10.940 15.958 92 H3* G 9 H3' G 9 1.324 -8.165 14.735 93 1H2* G 9 H2' G 9 -0.990 -8.011 15.476 94 2HO* G 9 HO2' G 9 -1.930 -9.857 16.461 95 H1* G 9 H1' G 9 -0.417 -9.005 17.944 96 H8 G 9 H8 G 9 2.535 -6.843 16.999 97 H1 G 9 H1 G 9 -2.681 -3.493 18.658 98 1H2 G 9 1H2 G 9 -4.319 -6.561 18.458 99 2H2 G 9 2H2 G 9 -4.444 -4.846 18.774 100 H5T G 9 H5' G 9 3.631 -8.358 16.207 101 1H5* G 10 1H5' G 1 -2.419 -10.280 13.914 102 2H5* G 10 2H5' G 1 -2.874 -9.980 12.228 103 H4* G 10 H4' G 1 -4.783 -9.573 13.714 104 H3* G 10 H3' G 1 -3.600 -7.086 12.481 105 1H2* G 10 H2' G 1 -5.641 -6.022 13.241 106 2HO* G 10 HO2' G 1 -6.378 -8.639 14.077 107 H1* G 10 H1' G 1 -5.403 -6.989 15.710 108 H8 G 10 H8 G 1 -1.867 -6.657 14.578 109 H1 G 10 H1 G 1 -4.505 -1.081 16.356 110 1H2 G 10 1H2 G 1 -7.503 -2.853 16.304 111 2H2 G 10 2H2 G 1 -6.704 -1.322 16.588 112 1H5* A 11 1H5' A 1 -7.757 -7.189 11.799 113 2H5* A 11 2H5' A 1 -8.126 -6.705 10.134 114 H4* A 11 H4' A 1 -9.389 -5.333 11.751 115 H3* A 11 H3' A 1 -7.210 -3.885 10.252 116 1H2* A 11 H2' A 1 -8.262 -1.856 11.108 117 2HO* A 11 HO2' A 1 -10.186 -2.118 12.372 118 H1* A 11 H1' A 1 -8.466 -2.888 13.681 119 H8 A 11 H8 A 1 -5.330 -4.372 12.376 120 1H6 A 11 1H6 A 1 -2.533 0.994 13.723 121 2H6 A 11 2H6 A 1 -2.292 -0.667 13.226 122 H2 A 11 H2 A 1 -6.963 1.556 14.135 123 1H5* G 12 1H5' G 1 -10.704 -1.677 9.996 124 2H5* G 12 2H5' G 1 -11.032 -1.186 8.322 125 H4* G 12 H4' G 1 -11.031 0.774 9.799 126 H3* G 12 H3' G 1 -8.528 0.522 8.166 127 1H2* G 12 H2' G 1 -8.237 2.854 8.871 128 2HO* G 12 HO2' G 1 -10.804 2.553 10.040 129 H1* G 12 H1' G 1 -8.873 2.232 11.439 130 H8 G 12 H8 G 1 -6.822 -0.653 10.187 131 H1 G 12 H1 G 1 -3.359 4.541 11.663 132 1H2 G 12 1H2 G 1 -4.689 6.294 11.933 133 2H2 G 12 2H2 G 1 -6.425 6.171 11.763 134 1H5* U 13 1H5' U 1 -9.945 4.310 7.654 135 2H5* U 13 2H5' U 1 -9.881 4.830 5.959 136 H4* U 13 H4' U 1 -8.529 6.335 7.394 137 H3* U 13 H3' U 1 -7.055 4.520 5.482 138 1H2* U 13 H2' U 1 -5.075 5.622 6.031 139 2HO* U 13 HO2' U 1 -5.987 7.756 5.989 140 H1* U 13 H1' U 1 -5.573 5.844 8.670 141 H3 U 13 H3 U 1 -2.092 2.949 8.362 142 H5 U 13 H5 U 1 -5.581 0.661 7.660 143 H6 U 13 H6 U 1 -6.815 2.664 7.580 144 1H5* U 14 1H5' U 1 -6.084 9.183 4.725 145 2H5* U 14 2H5' U 1 -5.976 9.221 2.951 146 H4* U 14 H4' U 1 -4.011 10.391 3.918 147 H3* U 14 H3' U 1 -3.420 7.693 2.668 148 1H2* U 14 H2' U 1 -1.105 8.348 2.905 149 2HO* U 14 HO2' U 1 -0.641 10.446 3.714 150 H1* U 14 H1' U 1 -1.410 9.187 5.435 151 H3 U 14 H3 U 1 0.717 5.117 5.532 152 H5 U 14 H5 U 1 -3.420 4.335 5.694 153 H6 U 14 H6 U 1 -3.783 6.656 5.147 154 1H5* C 15 1H5' C 1 -0.653 10.655 1.169 155 2H5* C 15 2H5' C 1 -0.489 10.421 -0.581 156 H4* C 15 H4' C 1 1.737 10.419 0.482 157 H3* C 15 H3' C 1 0.773 7.735 -0.547 158 1H2* C 15 H2' C 1 3.058 7.014 -0.178 159 2HO* C 15 HO2' C 1 3.546 9.753 0.404 160 H1* C 15 H1' C 1 3.256 8.152 2.251 161 1H4 C 15 1H4 C 1 -0.291 2.683 3.309 162 2H4 C 15 2H4 C 1 1.383 2.200 3.465 163 H5 C 15 H5 C 1 -0.968 4.937 2.565 164 H6 C 15 H6 C 1 -0.151 7.089 1.882 165 1H5* C 16 1H5' C 1 4.694 8.698 -2.095 166 2H5* C 16 2H5' C 1 4.826 8.131 -3.772 167 H4* C 16 H4' C 1 6.630 7.146 -2.369 168 H3* C 16 H3' C 1 4.461 5.231 -3.293 169 1H2* C 16 H2' C 1 5.849 3.499 -2.479 170 2HO* C 16 HO2' C 1 7.813 4.344 -3.354 171 H1* C 16 H1' C 1 6.694 4.915 -0.215 172 1H4 C 16 1H4 C 1 0.935 1.663 0.699 173 2H4 C 16 2H4 C 1 2.184 0.584 1.275 174 H5 C 16 H5 C 1 1.422 3.821 -0.366 175 H6 C 16 H6 C 1 3.202 5.314 -1.042 176 H3T C 16 HO3' C 1 7.069 5.914 -4.238 Start of MODEL 13 1 1H5* G 1 1H5' G 1 5.860 -9.149 3.631 2 2H5* G 1 2H5' G 1 6.215 -8.727 5.321 3 H4* G 1 H4' G 1 7.728 -7.504 3.811 4 H3* G 1 H3' G 1 5.589 -5.762 5.076 5 1H2* G 1 H2' G 1 6.916 -3.916 4.237 6 2HO* G 1 HO2' G 1 8.760 -5.946 3.459 7 H1* G 1 H1' G 1 7.178 -5.015 1.769 8 H8 G 1 H8 G 1 3.722 -5.977 2.968 9 H1 G 1 H1 G 1 4.174 0.142 1.086 10 1H2 G 1 1H2 G 1 7.607 -0.446 1.081 11 2H2 G 1 2H2 G 1 6.311 0.697 0.812 12 H5T G 1 H5' G 1 4.462 -7.295 5.270 13 1H5* G 2 1H5' G 2 9.625 -4.238 5.702 14 2H5* G 2 2H5' G 2 9.758 -3.657 7.373 15 H4* G 2 H4' G 2 10.577 -1.951 5.803 16 H3* G 2 H3' G 2 7.956 -1.259 7.134 17 1H2* G 2 H2' G 2 8.441 0.982 6.306 18 2HO* G 2 HO2' G 2 10.796 0.661 6.581 19 H1* G 2 H1' G 2 8.893 0.098 3.829 20 H8 G 2 H8 G 2 6.438 -2.377 5.145 21 H1 G 2 H1 G 2 3.743 3.148 3.299 22 1H2 G 2 1H2 G 2 7.019 4.337 3.212 23 2H2 G 2 2H2 G 2 5.321 4.687 2.978 24 1H5* A 3 1H5' A 3 10.615 1.992 7.732 25 2H5* A 3 2H5' A 3 10.473 2.559 9.405 26 H4* A 3 H4' A 3 10.085 4.400 7.807 27 H3* A 3 H3' A 3 7.667 3.487 9.359 28 1H2* A 3 H2' A 3 6.617 5.527 8.536 29 2HO* A 3 HO2' A 3 7.925 6.946 7.253 30 H1* A 3 H1' A 3 7.515 5.105 5.937 31 H8 A 3 H8 A 3 6.915 1.680 7.218 32 1H6 A 3 1H6 A 3 0.879 2.602 6.136 33 2H6 A 3 2H6 A 3 2.095 1.422 6.575 34 H2 A 3 H2 A 3 3.022 6.508 5.648 35 1H5* G 4 1H5' G 4 7.878 7.608 9.627 36 2H5* G 4 2H5' G 4 7.741 8.139 11.316 37 H4* G 4 H4' G 4 6.062 9.283 9.939 38 H3* G 4 H3' G 4 4.900 7.039 11.563 39 1H2* G 4 H2' G 4 2.805 8.205 10.979 40 2HO* G 4 HO2' G 4 2.978 10.109 9.716 41 H1* G 4 H1' G 4 3.570 8.385 8.384 42 H8 G 4 H8 G 4 4.807 5.028 9.514 43 H1 G 4 H1 G 4 -1.505 5.198 8.384 44 1H2 G 4 1H2 G 4 -1.085 8.645 8.305 45 2H2 G 4 2H2 G 4 -2.188 7.292 8.176 46 1H5* U 5 1H5' U 5 2.728 10.441 12.236 47 2H5* U 5 2H5' U 5 2.319 10.670 13.947 48 H4* U 5 H4' U 5 0.270 10.552 12.547 49 H3* U 5 H3' U 5 0.837 8.258 14.425 50 1H2* U 5 H2' U 5 -1.246 7.363 13.910 51 2HO* U 5 HO2' U 5 -2.774 8.598 12.711 52 H1* U 5 H1' U 5 -1.181 7.921 11.273 53 H3 U 5 H3 U 5 -1.007 3.399 11.506 54 H5 U 5 H5 U 5 2.950 4.752 12.144 55 H6 U 5 H6 U 5 2.118 6.952 12.276 56 1H5* U 6 1H5' U 6 -3.373 10.332 15.079 57 2H5* U 6 2H5' U 6 -3.566 10.316 16.847 58 H4* U 6 H4' U 6 -5.658 9.510 15.816 59 H3* U 6 H3' U 6 -3.993 7.336 17.118 60 1H2* U 6 H2' U 6 -5.939 5.944 16.785 61 2HO* U 6 HO2' U 6 -7.190 8.354 15.939 62 H1* U 6 H1' U 6 -6.323 6.746 14.253 63 H3 U 6 H3 U 6 -4.491 2.559 13.998 64 H5 U 6 H5 U 6 -1.266 5.259 14.240 65 H6 U 6 H6 U 6 -2.862 6.972 14.803 66 1H5* C 7 1H5' C 7 -8.061 6.945 18.465 67 2H5* C 7 2H5' C 7 -8.031 6.659 20.215 68 H4* C 7 H4' C 7 -9.331 4.885 19.106 69 H3* C 7 H3' C 7 -6.627 4.030 20.180 70 1H2* C 7 H2' C 7 -7.417 1.776 19.767 71 2HO* C 7 HO2' C 7 -9.888 3.039 19.156 72 H1* C 7 H1' C 7 -8.403 2.335 17.326 73 1H4 C 7 1H4 C 7 -1.892 1.878 16.349 74 2H4 C 7 2H4 C 7 -2.515 0.253 16.166 75 H5 C 7 H5 C 7 -3.292 3.769 17.101 76 H6 C 7 H6 C 7 -5.507 4.404 17.770 77 1H5* C 8 1H5' C 8 -9.760 1.441 21.639 78 2H5* C 8 2H5' C 8 -9.414 0.984 23.318 79 H4* C 8 H4' C 8 -9.662 -1.041 21.896 80 H3* C 8 H3' C 8 -6.849 -0.434 22.867 81 1H2* C 8 H2' C 8 -6.269 -2.577 22.050 82 2HO* C 8 HO2' C 8 -7.964 -4.022 21.382 83 H1* C 8 H1' C 8 -7.874 -2.397 19.760 84 1H4 C 8 1H4 C 8 -1.821 0.294 18.950 85 2H4 C 8 2H4 C 8 -1.685 -1.353 18.380 86 H5 C 8 H5 C 8 -3.862 1.186 19.981 87 H6 C 8 H6 C 8 -6.132 0.643 20.621 88 H3T C 8 HO3' C 8 -8.891 -2.214 23.767 89 1H5* G 9 1H5' G 9 3.698 -10.506 16.198 90 2H5* G 9 2H5' G 9 3.202 -10.460 14.490 91 H4* G 9 H4' G 9 1.247 -10.848 15.952 92 H3* G 9 H3' G 9 1.343 -8.094 14.681 93 1H2* G 9 H2' G 9 -0.960 -7.927 15.434 94 2HO* G 9 HO2' G 9 -0.620 -10.648 16.207 95 H1* G 9 H1' G 9 -0.387 -8.871 17.917 96 H8 G 9 H8 G 9 2.563 -6.736 16.882 97 H1 G 9 H1 G 9 -2.603 -3.336 18.592 98 1H2 G 9 1H2 G 9 -4.259 -6.398 18.484 99 2H2 G 9 2H2 G 9 -4.369 -4.676 18.773 100 H5T G 9 H5' G 9 3.659 -8.223 16.175 101 1H5* G 10 1H5' G 1 -2.375 -10.293 13.907 102 2H5* G 10 2H5' G 1 -2.854 -10.017 12.222 103 H4* G 10 H4' G 1 -4.752 -9.632 13.731 104 H3* G 10 H3' G 1 -3.638 -7.134 12.457 105 1H2* G 10 H2' G 1 -5.692 -6.107 13.239 106 2HO* G 10 HO2' G 1 -6.360 -8.731 14.107 107 H1* G 10 H1' G 1 -5.397 -7.050 15.712 108 H8 G 10 H8 G 1 -1.891 -6.635 14.501 109 H1 G 10 H1 G 1 -4.631 -1.126 16.332 110 1H2 G 10 1H2 G 1 -7.581 -2.982 16.351 111 2H2 G 10 2H2 G 1 -6.819 -1.429 16.613 112 1H5* A 11 1H5' A 1 -7.796 -7.273 11.839 113 2H5* A 11 2H5' A 1 -8.187 -6.816 10.170 114 H4* A 11 H4' A 1 -9.432 -5.415 11.774 115 H3* A 11 H3' A 1 -7.260 -3.998 10.233 116 1H2* A 11 H2' A 1 -8.278 -1.949 11.073 117 2HO* A 11 HO2' A 1 -10.198 -2.169 12.352 118 H1* A 11 H1' A 1 -8.478 -2.942 13.662 119 H8 A 11 H8 A 1 -5.363 -4.471 12.352 120 1H6 A 11 1H6 A 1 -2.519 0.898 13.564 121 2H6 A 11 2H6 A 1 -2.294 -0.773 13.094 122 H2 A 11 H2 A 1 -6.936 1.495 14.035 123 1H5* G 12 1H5' G 1 -10.701 -1.718 9.985 124 2H5* G 12 2H5' G 1 -11.041 -1.266 8.302 125 H4* G 12 H4' G 1 -10.964 0.742 9.712 126 H3* G 12 H3' G 1 -8.470 0.368 8.081 127 1H2* G 12 H2' G 1 -8.159 2.735 8.706 128 2HO* G 12 HO2' G 1 -9.792 3.709 9.983 129 H1* G 12 H1' G 1 -8.762 2.185 11.292 130 H8 G 12 H8 G 1 -6.797 -0.788 10.128 131 H1 G 12 H1 G 1 -3.182 4.374 11.323 132 1H2 G 12 1H2 G 1 -4.461 6.167 11.548 133 2H2 G 12 2H2 G 1 -6.204 6.085 11.414 134 1H5* U 13 1H5' U 1 -9.904 4.151 7.471 135 2H5* U 13 2H5' U 1 -9.848 4.640 5.767 136 H4* U 13 H4' U 1 -8.524 6.192 7.187 137 H3* U 13 H3' U 1 -7.034 4.392 5.275 138 1H2* U 13 H2' U 1 -5.066 5.509 5.801 139 2HO* U 13 HO2' U 1 -5.128 7.458 7.022 140 H1* U 13 H1' U 1 -5.545 5.764 8.443 141 H3 U 13 H3 U 1 -2.026 2.922 8.180 142 H5 U 13 H5 U 1 -5.478 0.568 7.517 143 H6 U 13 H6 U 1 -6.743 2.551 7.405 144 1H5* U 14 1H5' U 1 -6.154 9.016 4.680 145 2H5* U 14 2H5' U 1 -6.037 9.178 2.912 146 H4* U 14 H4' U 1 -4.115 10.343 3.939 147 H3* U 14 H3' U 1 -3.411 7.708 2.611 148 1H2* U 14 H2' U 1 -1.122 8.424 2.925 149 2HO* U 14 HO2' U 1 -0.741 10.512 3.799 150 H1* U 14 H1' U 1 -1.510 9.188 5.470 151 H3 U 14 H3 U 1 0.733 5.209 5.686 152 H5 U 14 H5 U 1 -3.365 4.256 5.465 153 H6 U 14 H6 U 1 -3.778 6.564 4.915 154 1H5* C 15 1H5' C 1 -0.651 10.719 1.257 155 2H5* C 15 2H5' C 1 -0.457 10.531 -0.497 156 H4* C 15 H4' C 1 1.756 10.473 0.591 157 H3* C 15 H3' C 1 0.772 7.808 -0.474 158 1H2* C 15 H2' C 1 3.052 7.075 -0.092 159 2HO* C 15 HO2' C 1 4.588 8.613 0.622 160 H1* C 15 H1' C 1 3.220 8.184 2.355 161 1H4 C 15 1H4 C 1 -0.369 2.731 3.324 162 2H4 C 15 2H4 C 1 1.301 2.238 3.496 163 H5 C 15 H5 C 1 -1.024 4.997 2.587 164 H6 C 15 H6 C 1 -0.186 7.143 1.923 165 1H5* C 16 1H5' C 1 4.715 8.731 -1.964 166 2H5* C 16 2H5' C 1 4.855 8.182 -3.646 167 H4* C 16 H4' C 1 6.631 7.149 -2.247 168 H3* C 16 H3' C 1 4.430 5.282 -3.190 169 1H2* C 16 H2' C 1 5.797 3.520 -2.403 170 2HO* C 16 HO2' C 1 7.771 4.458 -3.270 171 H1* C 16 H1' C 1 6.635 4.887 -0.109 172 1H4 C 16 1H4 C 1 0.803 1.738 0.692 173 2H4 C 16 2H4 C 1 2.024 0.620 1.253 174 H5 C 16 H5 C 1 1.345 3.906 -0.326 175 H6 C 16 H6 C 1 3.162 5.372 -0.959 176 H3T C 16 HO3' C 1 6.042 4.863 -4.788 Start of MODEL 14 1 1H5* G 1 1H5' G 1 6.362 -8.884 1.468 2 2H5* G 1 2H5' G 1 6.856 -8.749 3.172 3 H4* G 1 H4' G 1 8.137 -7.154 1.782 4 H3* G 1 H3' G 1 6.046 -5.863 3.564 5 1H2* G 1 H2' G 1 7.186 -3.793 2.987 6 2HO* G 1 HO2' G 1 9.072 -3.931 1.686 7 H1* G 1 H1' G 1 7.308 -4.414 0.339 8 H8 G 1 H8 G 1 3.967 -5.679 1.609 9 H1 G 1 H1 G 1 4.195 0.662 0.644 10 1H2 G 1 1H2 G 1 7.627 0.164 0.340 11 2H2 G 1 2H2 G 1 6.299 1.303 0.331 12 H5T G 1 H5' G 1 4.581 -8.785 2.918 13 1H5* G 2 1H5' G 2 10.061 -4.174 4.049 14 2H5* G 2 2H5' G 2 10.353 -3.964 5.784 15 H4* G 2 H4' G 2 10.916 -1.899 4.577 16 H3* G 2 H3' G 2 8.449 -1.759 6.297 17 1H2* G 2 H2' G 2 8.558 0.615 5.979 18 2HO* G 2 HO2' G 2 10.867 0.753 6.107 19 H1* G 2 H1' G 2 9.005 0.433 3.326 20 H8 G 2 H8 G 2 6.728 -2.411 4.178 21 H1 G 2 H1 G 2 3.750 3.200 3.215 22 1H2 G 2 1H2 G 2 6.968 4.535 3.271 23 2H2 G 2 2H2 G 2 5.254 4.836 3.091 24 1H5* A 3 1H5' A 3 9.431 1.672 9.860 25 2H5* A 3 2H5' A 3 8.089 1.292 8.762 26 H4* A 3 H4' A 3 10.161 3.493 8.335 27 H3* A 3 H3' A 3 7.379 3.335 9.430 28 1H2* A 3 H2' A 3 6.763 5.404 8.419 29 2HO* A 3 HO2' A 3 9.545 5.560 7.713 30 H1* A 3 H1' A 3 7.831 4.793 5.946 31 H8 A 3 H8 A 3 6.959 1.391 6.907 32 1H6 A 3 1H6 A 3 1.020 2.701 5.772 33 2H6 A 3 2H6 A 3 2.170 1.436 6.139 34 H2 A 3 H2 A 3 3.338 6.541 5.730 35 1H5* G 4 1H5' G 4 7.986 7.323 9.625 36 2H5* G 4 2H5' G 4 7.790 7.899 11.295 37 H4* G 4 H4' G 4 6.216 9.081 9.817 38 H3* G 4 H3' G 4 4.933 6.912 11.443 39 1H2* G 4 H2' G 4 2.890 8.098 10.763 40 2HO* G 4 HO2' G 4 3.141 9.965 9.453 41 H1* G 4 H1' G 4 3.741 8.184 8.191 42 H8 G 4 H8 G 4 4.897 4.826 9.351 43 H1 G 4 H1 G 4 -1.430 5.113 8.364 44 1H2 G 4 1H2 G 4 -2.081 7.222 8.179 45 2H2 G 4 2H2 G 4 -0.950 8.553 8.280 46 1H5* U 5 1H5' U 5 2.762 10.308 11.979 47 2H5* U 5 2H5' U 5 2.320 10.594 13.674 48 H4* U 5 H4' U 5 0.297 10.417 12.237 49 H3* U 5 H3' U 5 0.838 8.202 14.215 50 1H2* U 5 H2' U 5 -1.222 7.250 13.676 51 2HO* U 5 HO2' U 5 -2.394 9.251 13.636 52 H1* U 5 H1' U 5 -1.084 7.685 11.028 53 H3 U 5 H3 U 5 -0.817 3.194 11.514 54 H5 U 5 H5 U 5 3.113 4.676 12.043 55 H6 U 5 H6 U 5 2.225 6.853 12.081 56 1H5* U 6 1H5' U 6 -3.454 10.297 14.775 57 2H5* U 6 2H5' U 6 -3.645 10.286 16.542 58 H4* U 6 H4' U 6 -5.723 9.439 15.464 59 H3* U 6 H3' U 6 -4.066 7.357 16.915 60 1H2* U 6 H2' U 6 -6.003 5.940 16.605 61 2HO* U 6 HO2' U 6 -7.872 6.843 15.630 62 H1* U 6 H1' U 6 -6.303 6.593 14.025 63 H3 U 6 H3 U 6 -4.444 2.394 14.178 64 H5 U 6 H5 U 6 -1.254 5.154 14.109 65 H6 U 6 H6 U 6 -2.867 6.890 14.529 66 1H5* C 7 1H5' C 7 -8.214 7.145 18.119 67 2H5* C 7 2H5' C 7 -8.287 6.893 19.871 68 H4* C 7 H4' C 7 -9.600 5.158 18.688 69 H3* C 7 H3' C 7 -7.041 4.224 20.019 70 1H2* C 7 H2' C 7 -7.895 1.993 19.602 71 2HO* C 7 HO2' C 7 -10.240 3.338 18.731 72 H1* C 7 H1' C 7 -8.628 2.506 17.068 73 1H4 C 7 1H4 C 7 -2.085 1.771 16.658 74 2H4 C 7 2H4 C 7 -2.756 0.169 16.449 75 H5 C 7 H5 C 7 -3.459 3.730 17.260 76 H6 C 7 H6 C 7 -5.695 4.470 17.727 77 1H5* C 8 1H5' C 8 -10.394 1.811 21.270 78 2H5* C 8 2H5' C 8 -10.217 1.406 22.989 79 H4* C 8 H4' C 8 -10.410 -0.667 21.639 80 H3* C 8 H3' C 8 -7.657 -0.104 22.792 81 1H2* C 8 H2' C 8 -7.093 -2.300 22.115 82 2HO* C 8 HO2' C 8 -9.138 -3.204 22.841 83 H1* C 8 H1' C 8 -8.470 -2.153 19.687 84 1H4 C 8 1H4 C 8 -2.326 0.445 19.380 85 2H4 C 8 2H4 C 8 -2.168 -1.208 18.834 86 H5 C 8 H5 C 8 -4.434 1.383 20.212 87 H6 C 8 H6 C 8 -6.759 0.884 20.656 88 H3T C 8 HO3' C 8 -9.429 -0.348 24.272 89 1H5* G 9 1H5' G 9 3.359 -10.416 18.135 90 2H5* G 9 2H5' G 9 2.952 -10.719 16.431 91 H4* G 9 H4' G 9 0.924 -10.851 17.829 92 H3* G 9 H3' G 9 1.066 -8.374 16.081 93 1H2* G 9 H2' G 9 -1.262 -8.079 16.691 94 2HO* G 9 HO2' G 9 -0.964 -10.616 17.960 95 H1* G 9 H1' G 9 -0.808 -8.564 19.326 96 H8 G 9 H8 G 9 2.201 -6.640 18.074 97 H1 G 9 H1 G 9 -3.015 -3.023 19.024 98 1H2 G 9 1H2 G 9 -4.678 -6.068 19.303 99 2H2 G 9 2H2 G 9 -4.792 -4.323 19.320 100 H5T G 9 H5' G 9 2.968 -8.476 16.095 101 1H5* G 10 1H5' G 1 -2.680 -10.568 15.602 102 2H5* G 10 2H5' G 1 -3.018 -10.677 13.866 103 H4* G 10 H4' G 1 -5.010 -9.891 15.060 104 H3* G 10 H3' G 1 -3.630 -7.838 13.345 105 1H2* G 10 H2' G 1 -5.569 -6.472 13.660 106 2HO* G 10 HO2' G 1 -6.662 -8.792 14.905 107 H1* G 10 H1' G 1 -5.720 -6.942 16.311 108 H8 G 10 H8 G 1 -2.069 -6.876 15.494 109 H1 G 10 H1 G 1 -4.709 -1.094 16.432 110 1H2 G 10 1H2 G 1 -7.728 -2.829 16.350 111 2H2 G 10 2H2 G 1 -6.923 -1.287 16.536 112 1H5* A 11 1H5' A 1 -6.916 -6.513 9.779 113 2H5* A 11 2H5' A 1 -5.799 -5.695 10.891 114 H4* A 11 H4' A 1 -8.813 -5.974 11.299 115 H3* A 11 H3' A 1 -6.973 -3.871 10.216 116 1H2* A 11 H2' A 1 -8.262 -2.124 11.208 117 2HO* A 11 HO2' A 1 -10.216 -2.711 12.339 118 H1* A 11 H1' A 1 -8.438 -3.344 13.682 119 H8 A 11 H8 A 1 -5.198 -4.711 12.751 120 1H6 A 11 1H6 A 1 -2.651 0.811 13.905 121 2H6 A 11 2H6 A 1 -2.338 -0.871 13.542 122 H2 A 11 H2 A 1 -7.110 1.291 13.907 123 1H5* G 12 1H5' G 1 -10.532 -1.961 9.986 124 2H5* G 12 2H5' G 1 -10.861 -1.457 8.313 125 H4* G 12 H4' G 1 -10.901 0.505 9.798 126 H3* G 12 H3' G 1 -8.373 0.263 8.201 127 1H2* G 12 H2' G 1 -8.132 2.611 8.893 128 2HO* G 12 HO2' G 1 -9.802 3.506 10.185 129 H1* G 12 H1' G 1 -8.734 1.964 11.455 130 H8 G 12 H8 G 1 -6.694 -0.943 10.281 131 H1 G 12 H1 G 1 -3.205 4.315 11.409 132 1H2 G 12 1H2 G 1 -6.266 5.956 11.482 133 2H2 G 12 2H2 G 1 -4.526 6.083 11.610 134 1H5* U 13 1H5' U 1 -9.823 4.019 7.660 135 2H5* U 13 2H5' U 1 -9.775 4.548 5.967 136 H4* U 13 H4' U 1 -8.453 6.074 7.417 137 H3* U 13 H3' U 1 -6.966 4.329 5.453 138 1H2* U 13 H2' U 1 -4.989 5.419 6.008 139 2HO* U 13 HO2' U 1 -5.041 7.324 7.300 140 H1* U 13 H1' U 1 -5.446 5.577 8.656 141 H3 U 13 H3 U 1 -1.974 2.705 8.211 142 H5 U 13 H5 U 1 -5.486 0.413 7.645 143 H6 U 13 H6 U 1 -6.717 2.416 7.592 144 1H5* U 14 1H5' U 1 -6.079 8.951 5.065 145 2H5* U 14 2H5' U 1 -5.982 9.216 3.310 146 H4* U 14 H4' U 1 -4.065 10.341 4.400 147 H3* U 14 H3' U 1 -3.341 7.823 2.871 148 1H2* U 14 H2' U 1 -1.059 8.573 3.199 149 2HO* U 14 HO2' U 1 -1.748 10.871 2.978 150 H1* U 14 H1' U 1 -1.416 9.090 5.805 151 H3 U 14 H3 U 1 0.837 5.095 5.588 152 H5 U 14 H5 U 1 -3.285 4.194 5.582 153 H6 U 14 H6 U 1 -3.700 6.528 5.186 154 1H5* C 15 1H5' C 1 -0.626 11.020 1.643 155 2H5* C 15 2H5' C 1 -0.463 10.904 -0.117 156 H4* C 15 H4' C 1 1.759 10.850 0.966 157 H3* C 15 H3' C 1 0.828 8.255 -0.292 158 1H2* C 15 H2' C 1 3.116 7.531 0.031 159 2HO* C 15 HO2' C 1 3.576 10.211 0.848 160 H1* C 15 H1' C 1 3.292 8.453 2.546 161 1H4 C 15 1H4 C 1 -0.196 2.878 3.121 162 2H4 C 15 2H4 C 1 1.484 2.401 3.237 163 H5 C 15 H5 C 1 -0.897 5.186 2.577 164 H6 C 15 H6 C 1 -0.102 7.393 2.078 165 1H5* C 16 1H5' C 1 4.743 9.430 -1.734 166 2H5* C 16 2H5' C 1 4.894 9.009 -3.452 167 H4* C 16 H4' C 1 6.715 7.951 -2.137 168 H3* C 16 H3' C 1 4.585 6.069 -3.206 169 1H2* C 16 H2' C 1 6.013 4.303 -2.538 170 2HO* C 16 HO2' C 1 7.977 6.343 -2.147 171 H1* C 16 H1' C 1 6.791 5.526 -0.148 172 1H4 C 16 1H4 C 1 1.026 2.199 0.369 173 2H4 C 16 2H4 C 1 2.262 1.090 0.912 174 H5 C 16 H5 C 1 1.527 4.427 -0.527 175 H6 C 16 H6 C 1 3.313 5.973 -1.045 176 H3T C 16 HO3' C 1 5.797 7.318 -4.734 Start of MODEL 15 1 1H5* G 1 1H5' G 1 6.238 -9.029 2.087 2 2H5* G 1 2H5' G 1 6.815 -8.818 3.756 3 H4* G 1 H4' G 1 8.078 -7.347 2.228 4 H3* G 1 H3' G 1 6.108 -5.863 4.000 5 1H2* G 1 H2' G 1 7.323 -3.888 3.251 6 2HO* G 1 HO2' G 1 9.383 -5.129 3.216 7 H1* G 1 H1' G 1 7.257 -4.665 0.645 8 H8 G 1 H8 G 1 3.962 -5.792 2.123 9 H1 G 1 H1 G 1 4.233 0.484 0.814 10 1H2 G 1 1H2 G 1 7.648 -0.071 0.428 11 2H2 G 1 2H2 G 1 6.333 1.083 0.404 12 H5T G 1 H5' G 1 5.044 -7.448 4.126 13 1H5* G 2 1H5' G 2 10.189 -4.157 4.401 14 2H5* G 2 2H5' G 2 10.429 -3.901 6.136 15 H4* G 2 H4' G 2 10.982 -1.860 4.887 16 H3* G 2 H3' G 2 8.478 -1.723 6.552 17 1H2* G 2 H2' G 2 8.549 0.641 6.179 18 2HO* G 2 HO2' G 2 10.347 1.522 5.059 19 H1* G 2 H1' G 2 9.054 0.402 3.539 20 H8 G 2 H8 G 2 6.811 -2.465 4.395 21 H1 G 2 H1 G 2 3.763 3.094 3.340 22 1H2 G 2 1H2 G 2 6.962 4.471 3.393 23 2H2 G 2 2H2 G 2 5.246 4.746 3.198 24 1H5* A 3 1H5' A 3 9.375 1.857 10.022 25 2H5* A 3 2H5' A 3 8.044 1.421 8.931 26 H4* A 3 H4' A 3 10.099 3.623 8.426 27 H3* A 3 H3' A 3 7.307 3.486 9.505 28 1H2* A 3 H2' A 3 6.705 5.525 8.424 29 2HO* A 3 HO2' A 3 8.940 6.405 8.781 30 H1* A 3 H1' A 3 7.770 4.803 5.977 31 H8 A 3 H8 A 3 6.927 1.439 7.053 32 1H6 A 3 1H6 A 3 0.973 2.657 5.886 33 2H6 A 3 2H6 A 3 2.136 1.413 6.285 34 H2 A 3 H2 A 3 3.252 6.517 5.743 35 1H5* G 4 1H5' G 4 7.817 7.530 9.560 36 2H5* G 4 2H5' G 4 7.613 8.116 11.225 37 H4* G 4 H4' G 4 6.014 9.234 9.735 38 H3* G 4 H3' G 4 4.800 7.068 11.408 39 1H2* G 4 H2' G 4 2.713 8.172 10.735 40 2HO* G 4 HO2' G 4 4.421 10.053 9.472 41 H1* G 4 H1' G 4 3.529 8.243 8.152 42 H8 G 4 H8 G 4 4.796 4.948 9.400 43 H1 G 4 H1 G 4 -1.528 5.010 8.368 44 1H2 G 4 1H2 G 4 -2.246 7.089 8.124 45 2H2 G 4 2H2 G 4 -1.158 8.459 8.192 46 1H5* U 5 1H5' U 5 2.567 10.432 11.910 47 2H5* U 5 2H5' U 5 2.142 10.737 13.605 48 H4* U 5 H4' U 5 0.107 10.509 12.199 49 H3* U 5 H3' U 5 0.709 8.328 14.199 50 1H2* U 5 H2' U 5 -1.345 7.348 13.710 51 2HO* U 5 HO2' U 5 -1.927 9.768 12.333 52 H1* U 5 H1' U 5 -1.272 7.772 11.051 53 H3 U 5 H3 U 5 -0.983 3.278 11.553 54 H5 U 5 H5 U 5 2.944 4.774 12.058 55 H6 U 5 H6 U 5 2.052 6.952 12.079 56 1H5* U 6 1H5' U 6 -3.580 10.302 14.743 57 2H5* U 6 2H5' U 6 -3.752 10.385 16.512 58 H4* U 6 H4' U 6 -5.829 9.442 15.561 59 H3* U 6 H3' U 6 -4.066 7.410 16.963 60 1H2* U 6 H2' U 6 -5.978 5.947 16.750 61 2HO* U 6 HO2' U 6 -7.911 6.798 15.850 62 H1* U 6 H1' U 6 -6.402 6.568 14.176 63 H3 U 6 H3 U 6 -4.427 2.433 14.240 64 H5 U 6 H5 U 6 -1.304 5.262 14.152 65 H6 U 6 H6 U 6 -2.953 6.957 14.609 66 1H5* C 7 1H5' C 7 -8.146 7.085 18.373 67 2H5* C 7 2H5' C 7 -8.110 6.858 20.131 68 H4* C 7 H4' C 7 -9.432 5.064 19.067 69 H3* C 7 H3' C 7 -6.755 4.212 20.208 70 1H2* C 7 H2' C 7 -7.581 1.956 19.874 71 2HO* C 7 HO2' C 7 -10.017 3.237 19.170 72 H1* C 7 H1' C 7 -8.514 2.434 17.397 73 1H4 C 7 1H4 C 7 -1.986 1.848 16.579 74 2H4 C 7 2H4 C 7 -2.635 0.231 16.416 75 H5 C 7 H5 C 7 -3.367 3.780 17.253 76 H6 C 7 H6 C 7 -5.586 4.473 17.848 77 1H5* C 8 1H5' C 8 -9.992 1.761 21.718 78 2H5* C 8 2H5' C 8 -9.677 1.341 23.413 79 H4* C 8 H4' C 8 -9.989 -0.712 22.047 80 H3* C 8 H3' C 8 -7.165 -0.186 23.030 81 1H2* C 8 H2' C 8 -6.658 -2.376 22.286 82 2HO* C 8 HO2' C 8 -9.476 -2.703 21.930 83 H1* C 8 H1' C 8 -8.206 -2.193 19.961 84 1H4 C 8 1H4 C 8 -2.062 0.311 19.222 85 2H4 C 8 2H4 C 8 -1.970 -1.342 18.661 86 H5 C 8 H5 C 8 -4.090 1.274 20.214 87 H6 C 8 H6 C 8 -6.384 0.807 20.823 88 H3T C 8 HO3' C 8 -9.280 -1.861 23.964 89 1H5* G 9 1H5' G 9 3.289 -10.707 17.216 90 2H5* G 9 2H5' G 9 2.908 -10.727 15.479 91 H4* G 9 H4' G 9 0.849 -10.984 16.823 92 H3* G 9 H3' G 9 1.122 -8.299 15.437 93 1H2* G 9 H2' G 9 -1.218 -8.024 16.026 94 2HO* G 9 HO2' G 9 -1.024 -10.716 16.938 95 H1* G 9 H1' G 9 -0.843 -8.873 18.581 96 H8 G 9 H8 G 9 2.228 -6.866 17.620 97 H1 G 9 H1 G 9 -2.917 -3.265 18.940 98 1H2 G 9 1H2 G 9 -4.651 -6.284 18.869 99 2H2 G 9 2H2 G 9 -4.726 -4.550 19.085 100 H5T G 9 H5' G 9 3.328 -8.427 17.088 101 1H5* G 10 1H5' G 1 -2.618 -10.406 14.514 102 2H5* G 10 2H5' G 1 -2.985 -10.175 12.795 103 H4* G 10 H4' G 1 -4.953 -9.647 14.171 104 H3* G 10 H3' G 1 -3.652 -7.236 12.902 105 1H2* G 10 H2' G 1 -5.733 -6.137 13.508 106 2HO* G 10 HO2' G 1 -7.335 -7.390 14.579 107 H1* G 10 H1' G 1 -5.616 -7.003 16.022 108 H8 G 10 H8 G 1 -2.035 -6.714 14.995 109 H1 G 10 H1 G 1 -4.727 -1.088 16.521 110 1H2 G 10 1H2 G 1 -7.717 -2.877 16.462 111 2H2 G 10 2H2 G 1 -6.931 -1.334 16.714 112 1H5* A 11 1H5' A 1 -7.780 -7.373 12.015 113 2H5* A 11 2H5' A 1 -8.073 -6.932 10.323 114 H4* A 11 H4' A 1 -9.425 -5.545 11.852 115 H3* A 11 H3' A 1 -7.213 -4.107 10.393 116 1H2* A 11 H2' A 1 -8.295 -2.062 11.157 117 2HO* A 11 HO2' A 1 -10.302 -3.859 12.142 118 H1* A 11 H1' A 1 -8.585 -3.013 13.751 119 H8 A 11 H8 A 1 -5.405 -4.529 12.582 120 1H6 A 11 1H6 A 1 -2.654 0.880 13.823 121 2H6 A 11 2H6 A 1 -2.399 -0.794 13.382 122 H2 A 11 H2 A 1 -7.091 1.442 14.131 123 1H5* G 12 1H5' G 1 -10.696 -1.922 9.956 124 2H5* G 12 2H5' G 1 -10.970 -1.477 8.260 125 H4* G 12 H4' G 1 -11.014 0.519 9.690 126 H3* G 12 H3' G 1 -8.466 0.234 8.134 127 1H2* G 12 H2' G 1 -8.207 2.585 8.789 128 2HO* G 12 HO2' G 1 -10.795 2.296 9.911 129 H1* G 12 H1' G 1 -8.892 2.020 11.352 130 H8 G 12 H8 G 1 -6.821 -0.902 10.238 131 H1 G 12 H1 G 1 -3.363 4.350 11.505 132 1H2 G 12 1H2 G 1 -4.693 6.112 11.698 133 2H2 G 12 2H2 G 1 -6.429 5.983 11.528 134 1H5* U 13 1H5' U 1 -9.912 4.001 7.506 135 2H5* U 13 2H5' U 1 -9.805 4.504 5.808 136 H4* U 13 H4' U 1 -8.528 6.045 7.285 137 H3* U 13 H3' U 1 -6.973 4.275 5.395 138 1H2* U 13 H2' U 1 -5.024 5.409 5.998 139 2HO* U 13 HO2' U 1 -5.976 7.526 5.963 140 H1* U 13 H1' U 1 -5.576 5.591 8.626 141 H3 U 13 H3 U 1 -2.049 2.757 8.323 142 H5 U 13 H5 U 1 -5.504 0.414 7.635 143 H6 U 13 H6 U 1 -6.763 2.400 7.531 144 1H5* U 14 1H5' U 1 -6.121 8.967 4.774 145 2H5* U 14 2H5' U 1 -5.966 9.075 3.007 146 H4* U 14 H4' U 1 -4.085 10.287 4.092 147 H3* U 14 H3' U 1 -3.358 7.695 2.701 148 1H2* U 14 H2' U 1 -1.072 8.394 3.045 149 2HO* U 14 HO2' U 1 -2.232 10.815 3.986 150 H1* U 14 H1' U 1 -1.459 9.097 5.603 151 H3 U 14 H3 U 1 0.798 5.088 5.552 152 H5 U 14 H5 U 1 -3.323 4.194 5.653 153 H6 U 14 H6 U 1 -3.744 6.517 5.176 154 1H5* C 15 1H5' C 1 -0.648 10.825 1.461 155 2H5* C 15 2H5' C 1 -0.423 10.700 -0.293 156 H4* C 15 H4' C 1 1.772 10.674 0.850 157 H3* C 15 H3' C 1 0.895 8.043 -0.378 158 1H2* C 15 H2' C 1 3.187 7.361 0.018 159 2HO* C 15 HO2' C 1 4.661 8.902 0.844 160 H1* C 15 H1' C 1 3.277 8.343 2.518 161 1H4 C 15 1H4 C 1 -0.130 2.731 3.169 162 2H4 C 15 2H4 C 1 1.553 2.287 3.346 163 H5 C 15 H5 C 1 -0.854 5.003 2.525 164 H6 C 15 H6 C 1 -0.083 7.209 1.977 165 1H5* C 16 1H5' C 1 4.842 9.196 -1.733 166 2H5* C 16 2H5' C 1 5.039 8.735 -3.436 167 H4* C 16 H4' C 1 6.824 7.703 -2.052 168 H3* C 16 H3' C 1 4.713 5.796 -3.113 169 1H2* C 16 H2' C 1 6.142 4.054 -2.380 170 2HO* C 16 HO2' C 1 8.276 4.587 -1.633 171 H1* C 16 H1' C 1 6.843 5.327 0.002 172 1H4 C 16 1H4 C 1 1.059 2.021 0.423 173 2H4 C 16 2H4 C 1 2.279 0.918 1.014 174 H5 C 16 H5 C 1 1.590 4.233 -0.498 175 H6 C 16 H6 C 1 3.395 5.763 -0.996 176 H3T C 16 HO3' C 1 5.952 7.011 -4.652 Start of MODEL 16 1 1H5* G 1 1H5' G 1 6.626 -9.086 2.866 2 2H5* G 1 2H5' G 1 6.879 -8.738 4.592 3 H4* G 1 H4' G 1 8.296 -7.266 3.193 4 H3* G 1 H3' G 1 5.970 -5.847 4.533 5 1H2* G 1 H2' G 1 7.173 -3.833 3.885 6 2HO* G 1 HO2' G 1 9.207 -4.075 2.856 7 H1* G 1 H1' G 1 7.613 -4.733 1.356 8 H8 G 1 H8 G 1 4.159 -5.932 2.352 9 H1 G 1 H1 G 1 4.404 0.306 0.869 10 1H2 G 1 1H2 G 1 7.858 -0.138 0.952 11 2H2 G 1 2H2 G 1 6.523 0.965 0.707 12 H5T G 1 H5' G 1 4.767 -7.758 2.967 13 1H5* G 2 1H5' G 2 9.909 -4.132 5.402 14 2H5* G 2 2H5' G 2 9.959 -3.640 7.104 15 H4* G 2 H4' G 2 10.753 -1.823 5.655 16 H3* G 2 H3' G 2 8.074 -1.315 6.948 17 1H2* G 2 H2' G 2 8.437 0.976 6.244 18 2HO* G 2 HO2' G 2 10.958 0.019 5.342 19 H1* G 2 H1' G 2 9.030 0.273 3.746 20 H8 G 2 H8 G 2 6.644 -2.367 4.878 21 H1 G 2 H1 G 2 3.780 3.136 3.226 22 1H2 G 2 1H2 G 2 7.013 4.437 3.231 23 2H2 G 2 2H2 G 2 5.307 4.738 2.985 24 1H5* A 3 1H5' A 3 10.639 1.948 7.671 25 2H5* A 3 2H5' A 3 10.493 2.489 9.353 26 H4* A 3 H4' A 3 10.108 4.361 7.790 27 H3* A 3 H3' A 3 7.677 3.418 9.307 28 1H2* A 3 H2' A 3 6.638 5.477 8.517 29 2HO* A 3 HO2' A 3 7.958 6.916 7.269 30 H1* A 3 H1' A 3 7.551 5.104 5.918 31 H8 A 3 H8 A 3 6.931 1.662 7.157 32 1H6 A 3 1H6 A 3 0.917 2.593 5.986 33 2H6 A 3 2H6 A 3 2.127 1.410 6.432 34 H2 A 3 H2 A 3 3.065 6.505 5.572 35 1H5* G 4 1H5' G 4 7.919 7.535 9.652 36 2H5* G 4 2H5' G 4 7.749 8.046 11.344 37 H4* G 4 H4' G 4 6.111 9.218 9.934 38 H3* G 4 H3' G 4 4.897 6.983 11.529 39 1H2* G 4 H2' G 4 2.824 8.168 10.903 40 2HO* G 4 HO2' G 4 3.041 10.073 9.647 41 H1* G 4 H1' G 4 3.641 8.344 8.325 42 H8 G 4 H8 G 4 4.832 4.974 9.458 43 H1 G 4 H1 G 4 -1.472 5.203 8.291 44 1H2 G 4 1H2 G 4 -2.134 7.305 8.084 45 2H2 G 4 2H2 G 4 -1.019 8.646 8.220 46 1H5* U 5 1H5' U 5 2.733 10.393 12.158 47 2H5* U 5 2H5' U 5 2.295 10.629 13.861 48 H4* U 5 H4' U 5 0.270 10.518 12.424 49 H3* U 5 H3' U 5 0.793 8.228 14.321 50 1H2* U 5 H2' U 5 -1.296 7.347 13.770 51 2HO* U 5 HO2' U 5 -2.418 9.378 13.816 52 H1* U 5 H1' U 5 -1.168 7.879 11.136 53 H3 U 5 H3 U 5 -1.012 3.355 11.448 54 H5 U 5 H5 U 5 2.944 4.713 12.082 55 H6 U 5 H6 U 5 2.114 6.914 12.184 56 1H5* U 6 1H5' U 6 -3.455 10.373 15.047 57 2H5* U 6 2H5' U 6 -3.593 10.303 16.818 58 H4* U 6 H4' U 6 -5.712 9.522 15.788 59 H3* U 6 H3' U 6 -4.025 7.368 17.093 60 1H2* U 6 H2' U 6 -5.962 5.959 16.787 61 2HO* U 6 HO2' U 6 -7.239 8.352 15.931 62 H1* U 6 H1' U 6 -6.376 6.738 14.252 63 H3 U 6 H3 U 6 -4.535 2.535 14.130 64 H5 U 6 H5 U 6 -1.326 5.264 14.126 65 H6 U 6 H6 U 6 -2.918 6.994 14.657 66 1H5* C 7 1H5' C 7 -8.095 6.987 18.477 67 2H5* C 7 2H5' C 7 -8.048 6.733 20.232 68 H4* C 7 H4' C 7 -9.358 4.933 19.170 69 H3* C 7 H3' C 7 -6.637 4.104 20.224 70 1H2* C 7 H2' C 7 -7.446 1.846 19.873 71 2HO* C 7 HO2' C 7 -9.607 1.553 19.182 72 H1* C 7 H1' C 7 -8.452 2.359 17.431 73 1H4 C 7 1H4 C 7 -1.949 1.847 16.422 74 2H4 C 7 2H4 C 7 -2.580 0.220 16.285 75 H5 C 7 H5 C 7 -3.337 3.764 17.129 76 H6 C 7 H6 C 7 -5.546 4.426 17.795 77 1H5* C 8 1H5' C 8 -9.822 1.608 21.775 78 2H5* C 8 2H5' C 8 -9.466 1.158 23.455 79 H4* C 8 H4' C 8 -9.806 -0.872 22.054 80 H3* C 8 H3' C 8 -6.966 -0.356 23.001 81 1H2* C 8 H2' C 8 -6.462 -2.523 22.198 82 2HO* C 8 HO2' C 8 -8.354 -3.536 23.052 83 H1* C 8 H1' C 8 -8.066 -2.308 19.913 84 1H4 C 8 1H4 C 8 -1.947 0.221 19.065 85 2H4 C 8 2H4 C 8 -1.863 -1.426 18.483 86 H5 C 8 H5 C 8 -3.952 1.163 20.120 87 H6 C 8 H6 C 8 -6.231 0.682 20.775 88 H3T C 8 HO3' C 8 -9.127 -1.978 23.930 89 1H5* G 9 1H5' G 9 3.421 -10.618 16.661 90 2H5* G 9 2H5' G 9 2.986 -10.624 14.937 91 H4* G 9 H4' G 9 0.980 -11.001 16.318 92 H3* G 9 H3' G 9 1.094 -8.252 15.037 93 1H2* G 9 H2' G 9 -1.227 -8.088 15.718 94 2HO* G 9 HO2' G 9 -0.896 -10.798 16.541 95 H1* G 9 H1' G 9 -0.719 -8.973 18.232 96 H8 G 9 H8 G 9 2.297 -6.929 17.201 97 H1 G 9 H1 G 9 -2.813 -3.376 18.764 98 1H2 G 9 1H2 G 9 -4.538 -6.401 18.692 99 2H2 G 9 2H2 G 9 -4.612 -4.672 18.945 100 H5T G 9 H5' G 9 2.997 -8.357 14.991 101 1H5* G 10 1H5' G 1 -2.604 -10.383 14.177 102 2H5* G 10 2H5' G 1 -3.040 -10.111 12.480 103 H4* G 10 H4' G 1 -4.957 -9.639 13.947 104 H3* G 10 H3' G 1 -3.729 -7.188 12.682 105 1H2* G 10 H2' G 1 -5.789 -6.117 13.402 106 2HO* G 10 HO2' G 1 -7.336 -7.407 14.511 107 H1* G 10 H1' G 1 -5.559 -7.040 15.888 108 H8 G 10 H8 G 1 -2.021 -6.715 14.749 109 H1 G 10 H1 G 1 -4.688 -1.122 16.434 110 1H2 G 10 1H2 G 1 -7.671 -2.924 16.435 111 2H2 G 10 2H2 G 1 -6.885 -1.381 16.685 112 1H5* A 11 1H5' A 1 -7.879 -7.286 11.972 113 2H5* A 11 2H5' A 1 -8.240 -6.821 10.300 114 H4* A 11 H4' A 1 -9.512 -5.439 11.900 115 H3* A 11 H3' A 1 -7.345 -4.014 10.362 116 1H2* A 11 H2' A 1 -8.347 -1.961 11.200 117 2HO* A 11 HO2' A 1 -10.354 -3.730 12.237 118 H1* A 11 H1' A 1 -8.559 -2.940 13.792 119 H8 A 11 H8 A 1 -5.450 -4.496 12.497 120 1H6 A 11 1H6 A 1 -2.574 0.863 13.675 121 2H6 A 11 2H6 A 1 -2.359 -0.811 13.214 122 H2 A 11 H2 A 1 -6.987 1.489 14.146 123 1H5* G 12 1H5' G 1 -10.759 -1.709 10.108 124 2H5* G 12 2H5' G 1 -11.100 -1.264 8.423 125 H4* G 12 H4' G 1 -10.991 0.753 9.817 126 H3* G 12 H3' G 1 -8.504 0.334 8.186 127 1H2* G 12 H2' G 1 -8.164 2.703 8.793 128 2HO* G 12 HO2' G 1 -9.785 3.704 10.068 129 H1* G 12 H1' G 1 -8.769 2.178 11.383 130 H8 G 12 H8 G 1 -6.844 -0.828 10.238 131 H1 G 12 H1 G 1 -3.161 4.302 11.359 132 1H2 G 12 1H2 G 1 -4.416 6.112 11.577 133 2H2 G 12 2H2 G 1 -6.161 6.049 11.458 134 1H5* U 13 1H5' U 1 -9.897 4.127 7.557 135 2H5* U 13 2H5' U 1 -9.842 4.609 5.851 136 H4* U 13 H4' U 1 -8.502 6.156 7.264 137 H3* U 13 H3' U 1 -7.034 4.342 5.348 138 1H2* U 13 H2' U 1 -5.056 5.451 5.861 139 2HO* U 13 HO2' U 1 -5.104 7.400 7.085 140 H1* U 13 H1' U 1 -5.518 5.705 8.507 141 H3 U 13 H3 U 1 -2.018 2.842 8.193 142 H5 U 13 H5 U 1 -5.499 0.509 7.606 143 H6 U 13 H6 U 1 -6.749 2.501 7.498 144 1H5* U 14 1H5' U 1 -6.137 8.961 4.745 145 2H5* U 14 2H5' U 1 -6.045 9.124 2.976 146 H4* U 14 H4' U 1 -4.108 10.287 3.979 147 H3* U 14 H3' U 1 -3.425 7.656 2.634 148 1H2* U 14 H2' U 1 -1.133 8.372 2.915 149 2HO* U 14 HO2' U 1 -0.739 10.453 3.801 150 H1* U 14 H1' U 1 -1.480 9.112 5.470 151 H3 U 14 H3 U 1 0.745 5.108 5.561 152 H5 U 14 H5 U 1 -3.370 4.200 5.498 153 H6 U 14 H6 U 1 -3.777 6.517 4.979 154 1H5* C 15 1H5' C 1 -0.721 10.723 1.267 155 2H5* C 15 2H5' C 1 -0.533 10.550 -0.488 156 H4* C 15 H4' C 1 1.681 10.550 0.599 157 H3* C 15 H3' C 1 0.775 7.879 -0.515 158 1H2* C 15 H2' C 1 3.069 7.190 -0.143 159 2HO* C 15 HO2' C 1 3.500 9.920 0.521 160 H1* C 15 H1' C 1 3.221 8.262 2.319 161 1H4 C 15 1H4 C 1 -0.234 2.707 3.206 162 2H4 C 15 2H4 C 1 1.448 2.253 3.371 163 H5 C 15 H5 C 1 -0.945 4.965 2.504 164 H6 C 15 H6 C 1 -0.161 7.144 1.875 165 1H5* C 16 1H5' C 1 4.690 8.954 -1.999 166 2H5* C 16 2H5' C 1 4.845 8.435 -3.690 167 H4* C 16 H4' C 1 6.656 7.446 -2.304 168 H3* C 16 H3' C 1 4.525 5.517 -3.286 169 1H2* C 16 H2' C 1 5.944 3.788 -2.516 170 2HO* C 16 HO2' C 1 7.924 5.822 -2.172 171 H1* C 16 H1' C 1 6.738 5.151 -0.202 172 1H4 C 16 1H4 C 1 1.019 1.796 0.563 173 2H4 C 16 2H4 C 1 2.277 0.718 1.123 174 H5 C 16 H5 C 1 1.484 3.987 -0.440 175 H6 C 16 H6 C 1 3.249 5.522 -1.059 176 H3T C 16 HO3' C 1 7.148 6.166 -4.208 Start of MODEL 17 1 1H5* G 1 1H5' G 1 5.788 -9.157 3.791 2 2H5* G 1 2H5' G 1 6.134 -8.714 5.477 3 H4* G 1 H4' G 1 7.661 -7.516 3.963 4 H3* G 1 H3' G 1 5.520 -5.750 5.190 5 1H2* G 1 H2' G 1 6.860 -3.920 4.336 6 2HO* G 1 HO2' G 1 8.701 -5.967 3.597 7 H1* G 1 H1' G 1 7.134 -5.051 1.885 8 H8 G 1 H8 G 1 3.667 -5.986 3.076 9 H1 G 1 H1 G 1 4.151 0.107 1.121 10 1H2 G 1 1H2 G 1 7.582 -0.494 1.138 11 2H2 G 1 2H2 G 1 6.291 0.651 0.849 12 H5T G 1 H5' G 1 4.386 -7.277 5.396 13 1H5* G 2 1H5' G 2 9.562 -4.240 5.826 14 2H5* G 2 2H5' G 2 9.686 -3.637 7.489 15 H4* G 2 H4' G 2 10.530 -1.959 5.903 16 H3* G 2 H3' G 2 7.903 -1.228 7.200 17 1H2* G 2 H2' G 2 8.417 0.998 6.345 18 2HO* G 2 HO2' G 2 10.767 0.655 6.643 19 H1* G 2 H1' G 2 8.876 0.074 3.885 20 H8 G 2 H8 G 2 6.395 -2.365 5.220 21 H1 G 2 H1 G 2 3.748 3.156 3.295 22 1H2 G 2 1H2 G 2 7.032 4.321 3.208 23 2H2 G 2 2H2 G 2 5.337 4.680 2.962 24 1H5* A 3 1H5' A 3 10.583 2.002 7.776 25 2H5* A 3 2H5' A 3 10.438 2.593 9.441 26 H4* A 3 H4' A 3 10.090 4.414 7.814 27 H3* A 3 H3' A 3 7.659 3.561 9.380 28 1H2* A 3 H2' A 3 6.612 5.579 8.515 29 2HO* A 3 HO2' A 3 9.225 6.112 7.458 30 H1* A 3 H1' A 3 7.514 5.122 5.924 31 H8 A 3 H8 A 3 6.900 1.715 7.248 32 1H6 A 3 1H6 A 3 0.872 2.639 6.138 33 2H6 A 3 2H6 A 3 2.084 1.462 6.594 34 H2 A 3 H2 A 3 3.024 6.534 5.612 35 1H5* G 4 1H5' G 4 7.856 7.679 9.578 36 2H5* G 4 2H5' G 4 7.727 8.234 11.261 37 H4* G 4 H4' G 4 6.025 9.344 9.887 38 H3* G 4 H3' G 4 4.895 7.102 11.537 39 1H2* G 4 H2' G 4 2.785 8.240 10.953 40 2HO* G 4 HO2' G 4 2.933 10.138 9.675 41 H1* G 4 H1' G 4 3.539 8.414 8.353 42 H8 G 4 H8 G 4 4.804 5.073 9.501 43 H1 G 4 H1 G 4 -1.510 5.191 8.384 44 1H2 G 4 1H2 G 4 -2.210 7.279 8.164 45 2H2 G 4 2H2 G 4 -1.116 8.640 8.281 46 1H5* U 5 1H5' U 5 2.687 10.489 12.191 47 2H5* U 5 2H5' U 5 2.282 10.726 13.901 48 H4* U 5 H4' U 5 0.230 10.575 12.507 49 H3* U 5 H3' U 5 0.830 8.307 14.407 50 1H2* U 5 H2' U 5 -1.239 7.376 13.906 51 2HO* U 5 HO2' U 5 -2.793 8.578 12.708 52 H1* U 5 H1' U 5 -1.197 7.921 11.264 53 H3 U 5 H3 U 5 -0.984 3.404 11.516 54 H5 U 5 H5 U 5 2.965 4.793 12.134 55 H6 U 5 H6 U 5 2.115 6.987 12.259 56 1H5* U 6 1H5' U 6 -3.421 10.316 15.058 57 2H5* U 6 2H5' U 6 -3.601 10.310 16.827 58 H4* U 6 H4' U 6 -5.684 9.444 15.820 59 H3* U 6 H3' U 6 -3.955 7.318 17.120 60 1H2* U 6 H2' U 6 -5.884 5.892 16.821 61 2HO* U 6 HO2' U 6 -7.805 6.815 15.972 62 H1* U 6 H1' U 6 -6.301 6.665 14.283 63 H3 U 6 H3 U 6 -4.406 2.510 14.039 64 H5 U 6 H5 U 6 -1.221 5.261 14.240 65 H6 U 6 H6 U 6 -2.840 6.952 14.807 66 1H5* C 7 1H5' C 7 -8.025 6.909 18.508 67 2H5* C 7 2H5' C 7 -7.979 6.613 20.257 68 H4* C 7 H4' C 7 -9.283 4.837 19.142 69 H3* C 7 H3' C 7 -6.570 3.983 20.196 70 1H2* C 7 H2' C 7 -7.383 1.733 19.787 71 2HO* C 7 HO2' C 7 -9.539 1.464 19.072 72 H1* C 7 H1' C 7 -8.369 2.309 17.350 73 1H4 C 7 1H4 C 7 -1.866 1.805 16.349 74 2H4 C 7 2H4 C 7 -2.504 0.188 16.152 75 H5 C 7 H5 C 7 -3.246 3.702 17.125 76 H6 C 7 H6 C 7 -5.452 4.350 17.806 77 1H5* C 8 1H5' C 8 -9.722 1.412 21.657 78 2H5* C 8 2H5' C 8 -9.370 0.935 23.330 79 H4* C 8 H4' C 8 -9.654 -1.074 21.890 80 H3* C 8 H3' C 8 -6.832 -0.511 22.862 81 1H2* C 8 H2' C 8 -6.270 -2.646 22.018 82 2HO* C 8 HO2' C 8 -8.140 -3.724 22.844 83 H1* C 8 H1' C 8 -7.870 -2.431 19.730 84 1H4 C 8 1H4 C 8 -1.807 0.262 18.975 85 2H4 C 8 2H4 C 8 -1.677 -1.371 18.366 86 H5 C 8 H5 C 8 -3.845 1.139 20.022 87 H6 C 8 H6 C 8 -6.116 0.591 20.650 88 H3T C 8 HO3' C 8 -8.959 -2.203 23.745 89 1H5* G 9 1H5' G 9 3.739 -10.503 16.171 90 2H5* G 9 2H5' G 9 3.182 -10.545 14.482 91 H4* G 9 H4' G 9 1.278 -10.864 16.030 92 H3* G 9 H3' G 9 1.310 -8.164 14.641 93 1H2* G 9 H2' G 9 -0.990 -8.035 15.452 94 2HO* G 9 HO2' G 9 -1.321 -10.371 15.137 95 H1* G 9 H1' G 9 -0.292 -8.832 17.956 96 H8 G 9 H8 G 9 2.572 -6.696 16.698 97 H1 G 9 H1 G 9 -2.558 -3.313 18.544 98 1H2 G 9 1H2 G 9 -4.174 -6.397 18.604 99 2H2 G 9 2H2 G 9 -4.295 -4.668 18.843 100 H5T G 9 H5' G 9 3.681 -8.222 16.035 101 1H5* G 10 1H5' G 1 -2.507 -10.404 13.872 102 2H5* G 10 2H5' G 1 -2.934 -10.077 12.184 103 H4* G 10 H4' G 1 -4.845 -9.639 13.674 104 H3* G 10 H3' G 1 -3.619 -7.169 12.447 105 1H2* G 10 H2' G 1 -5.681 -6.112 13.188 106 2HO* G 10 HO2' G 1 -7.225 -7.422 14.275 107 H1* G 10 H1' G 1 -5.444 -7.080 15.659 108 H8 G 10 H8 G 1 -1.910 -6.719 14.513 109 H1 G 10 H1 G 1 -4.600 -1.166 16.294 110 1H2 G 10 1H2 G 1 -7.572 -2.986 16.291 111 2H2 G 10 2H2 G 1 -6.793 -1.442 16.557 112 1H5* A 11 1H5' A 1 -7.774 -7.272 11.740 113 2H5* A 11 2H5' A 1 -8.136 -6.788 10.073 114 H4* A 11 H4' A 1 -9.414 -5.422 11.687 115 H3* A 11 H3' A 1 -7.238 -3.975 10.183 116 1H2* A 11 H2' A 1 -8.275 -1.941 11.036 117 2HO* A 11 HO2' A 1 -10.204 -2.185 12.296 118 H1* A 11 H1' A 1 -8.488 -2.963 13.614 119 H8 A 11 H8 A 1 -5.356 -4.467 12.322 120 1H6 A 11 1H6 A 1 -2.544 0.906 13.594 121 2H6 A 11 2H6 A 1 -2.309 -0.760 13.115 122 H2 A 11 H2 A 1 -6.969 1.483 14.027 123 1H5* G 12 1H5' G 1 -10.694 -1.717 9.928 124 2H5* G 12 2H5' G 1 -11.024 -1.251 8.247 125 H4* G 12 H4' G 1 -10.974 0.744 9.677 126 H3* G 12 H3' G 1 -8.464 0.403 8.064 127 1H2* G 12 H2' G 1 -8.173 2.764 8.714 128 2HO* G 12 HO2' G 1 -9.824 3.718 9.985 129 H1* G 12 H1' G 1 -8.796 2.187 11.290 130 H8 G 12 H8 G 1 -6.799 -0.761 10.113 131 H1 G 12 H1 G 1 -3.232 4.416 11.384 132 1H2 G 12 1H2 G 1 -6.268 6.103 11.471 133 2H2 G 12 2H2 G 1 -4.527 6.198 11.617 134 1H5* U 13 1H5' U 1 -9.905 4.184 7.471 135 2H5* U 13 2H5' U 1 -9.832 4.686 5.771 136 H4* U 13 H4' U 1 -8.525 6.230 7.212 137 H3* U 13 H3' U 1 -7.003 4.439 5.315 138 1H2* U 13 H2' U 1 -5.047 5.580 5.874 139 2HO* U 13 HO2' U 1 -5.997 7.697 5.826 140 H1* U 13 H1' U 1 -5.559 5.795 8.507 141 H3 U 13 H3 U 1 -2.033 2.956 8.223 142 H5 U 13 H5 U 1 -5.481 0.609 7.519 143 H6 U 13 H6 U 1 -6.746 2.592 7.426 144 1H5* U 14 1H5' U 1 -6.159 9.123 4.585 145 2H5* U 14 2H5' U 1 -6.002 9.185 2.815 146 H4* U 14 H4' U 1 -4.111 10.407 3.857 147 H3* U 14 H3' U 1 -3.393 7.754 2.578 148 1H2* U 14 H2' U 1 -1.104 8.458 2.906 149 2HO* U 14 HO2' U 1 -2.260 10.924 3.728 150 H1* U 14 H1' U 1 -1.509 9.277 5.430 151 H3 U 14 H3 U 1 0.748 5.292 5.645 152 H5 U 14 H5 U 1 -3.356 4.345 5.539 153 H6 U 14 H6 U 1 -3.780 6.652 4.984 154 1H5* C 15 1H5' C 1 -0.601 10.723 1.195 155 2H5* C 15 2H5' C 1 -0.416 10.515 -0.557 156 H4* C 15 H4' C 1 1.801 10.448 0.517 157 H3* C 15 H3' C 1 0.785 7.781 -0.509 158 1H2* C 15 H2' C 1 3.057 7.026 -0.129 159 2HO* C 15 HO2' C 1 4.615 8.557 0.559 160 H1* C 15 H1' C 1 3.254 8.165 2.301 161 1H4 C 15 1H4 C 1 -0.386 2.761 3.351 162 2H4 C 15 2H4 C 1 1.280 2.249 3.506 163 H5 C 15 H5 C 1 -1.023 5.030 2.608 164 H6 C 15 H6 C 1 -0.165 7.163 1.921 165 1H5* C 16 1H5' C 1 4.728 8.654 -2.030 166 2H5* C 16 2H5' C 1 4.857 8.086 -3.706 167 H4* C 16 H4' C 1 6.632 7.055 -2.305 168 H3* C 16 H3' C 1 4.412 5.189 -3.210 169 1H2* C 16 H2' C 1 5.777 3.432 -2.411 170 2HO* C 16 HO2' C 1 7.745 4.357 -3.307 171 H1* C 16 H1' C 1 6.633 4.822 -0.138 172 1H4 C 16 1H4 C 1 0.785 1.718 0.721 173 2H4 C 16 2H4 C 1 2.001 0.601 1.295 174 H5 C 16 H5 C 1 1.336 3.869 -0.326 175 H6 C 16 H6 C 1 3.160 5.317 -0.983 176 H3T C 16 HO3' C 1 5.667 6.258 -4.844 Start of MODEL 18 1 1H5* G 1 1H5' G 1 6.252 -9.263 3.529 2 2H5* G 1 2H5' G 1 6.504 -8.846 5.239 3 H4* G 1 H4' G 1 7.986 -7.500 3.789 4 H3* G 1 H3' G 1 5.713 -5.942 5.058 5 1H2* G 1 H2' G 1 6.953 -3.989 4.319 6 2HO* G 1 HO2' G 1 8.940 -5.880 3.546 7 H1* G 1 H1' G 1 7.382 -5.002 1.833 8 H8 G 1 H8 G 1 3.904 -6.093 2.872 9 H1 G 1 H1 G 1 4.263 0.068 1.117 10 1H2 G 1 1H2 G 1 7.708 -0.432 1.228 11 2H2 G 1 2H2 G 1 6.393 0.682 0.930 12 H5T G 1 H5' G 1 4.442 -7.872 3.550 13 1H5* G 2 1H5' G 2 9.694 -4.276 5.857 14 2H5* G 2 2H5' G 2 9.749 -3.721 7.540 15 H4* G 2 H4' G 2 10.578 -1.972 6.030 16 H3* G 2 H3' G 2 7.900 -1.371 7.284 17 1H2* G 2 H2' G 2 8.309 0.884 6.498 18 2HO* G 2 HO2' G 2 10.818 -0.148 5.649 19 H1* G 2 H1' G 2 8.907 0.077 4.032 20 H8 G 2 H8 G 2 6.464 -2.471 5.255 21 H1 G 2 H1 G 2 3.713 3.005 3.342 22 1H2 G 2 1H2 G 2 6.970 4.246 3.313 23 2H2 G 2 2H2 G 2 5.272 4.567 3.041 24 1H5* A 3 1H5' A 3 10.517 1.873 7.909 25 2H5* A 3 2H5' A 3 10.364 2.481 9.568 26 H4* A 3 H4' A 3 10.026 4.296 7.929 27 H3* A 3 H3' A 3 7.564 3.457 9.456 28 1H2* A 3 H2' A 3 6.573 5.503 8.573 29 2HO* A 3 HO2' A 3 7.934 6.861 7.276 30 H1* A 3 H1' A 3 7.500 5.007 6.000 31 H8 A 3 H8 A 3 6.810 1.629 7.370 32 1H6 A 3 1H6 A 3 0.822 2.616 6.109 33 2H6 A 3 2H6 A 3 2.008 1.429 6.608 34 H2 A 3 H2 A 3 3.042 6.471 5.570 35 1H5* G 4 1H5' G 4 7.853 7.570 9.625 36 2H5* G 4 2H5' G 4 7.669 8.163 11.288 37 H4* G 4 H4' G 4 6.066 9.275 9.791 38 H3* G 4 H3' G 4 4.825 7.162 11.518 39 1H2* G 4 H2' G 4 2.755 8.273 10.806 40 2HO* G 4 HO2' G 4 4.489 10.124 9.536 41 H1* G 4 H1' G 4 3.584 8.327 8.224 42 H8 G 4 H8 G 4 4.762 5.013 9.497 43 H1 G 4 H1 G 4 -1.551 5.215 8.385 44 1H2 G 4 1H2 G 4 -2.213 7.308 8.106 45 2H2 G 4 2H2 G 4 -1.092 8.651 8.179 46 1H5* U 5 1H5' U 5 2.613 10.564 11.918 47 2H5* U 5 2H5' U 5 2.182 10.909 13.603 48 H4* U 5 H4' U 5 0.150 10.645 12.188 49 H3* U 5 H3' U 5 0.755 8.550 14.274 50 1H2* U 5 H2' U 5 -1.258 7.501 13.808 51 2HO* U 5 HO2' U 5 -2.846 8.552 12.516 52 H1* U 5 H1' U 5 -1.225 7.881 11.140 53 H3 U 5 H3 U 5 -0.938 3.403 11.610 54 H5 U 5 H5 U 5 2.992 4.885 12.139 55 H6 U 5 H6 U 5 2.104 7.068 12.171 56 1H5* U 6 1H5' U 6 -3.572 10.374 14.592 57 2H5* U 6 2H5' U 6 -3.786 10.615 16.341 58 H4* U 6 H4' U 6 -5.804 9.503 15.426 59 H3* U 6 H3' U 6 -3.986 7.817 17.158 60 1H2* U 6 H2' U 6 -5.593 6.082 17.034 61 2HO* U 6 HO2' U 6 -7.678 6.520 16.184 62 H1* U 6 H1' U 6 -6.252 6.502 14.400 63 H3 U 6 H3 U 6 -4.186 2.466 14.318 64 H5 U 6 H5 U 6 -1.119 5.359 14.242 65 H6 U 6 H6 U 6 -2.786 7.007 14.787 66 1H5* C 7 1H5' C 7 -6.816 6.166 20.994 67 2H5* C 7 2H5' C 7 -5.672 5.488 19.820 68 H4* C 7 H4' C 7 -8.722 5.215 19.713 69 H3* C 7 H3' C 7 -6.401 3.481 20.540 70 1H2* C 7 H2' C 7 -7.529 1.573 19.687 71 2HO* C 7 HO2' C 7 -9.687 1.786 18.906 72 H1* C 7 H1' C 7 -8.268 2.635 17.371 73 1H4 C 7 1H4 C 7 -1.788 1.765 16.566 74 2H4 C 7 2H4 C 7 -2.482 0.183 16.297 75 H5 C 7 H5 C 7 -3.116 3.692 17.356 76 H6 C 7 H6 C 7 -5.316 4.395 18.015 77 1H5* C 8 1H5' C 8 -9.782 1.154 21.433 78 2H5* C 8 2H5' C 8 -9.615 0.497 23.075 79 H4* C 8 H4' C 8 -9.862 -1.360 21.450 80 H3* C 8 H3' C 8 -7.107 -0.993 22.670 81 1H2* C 8 H2' C 8 -6.501 -3.016 21.660 82 2HO* C 8 HO2' C 8 -8.145 -4.361 20.708 83 H1* C 8 H1' C 8 -7.908 -2.575 19.290 84 1H4 C 8 1H4 C 8 -1.817 0.138 19.246 85 2H4 C 8 2H4 C 8 -1.609 -1.479 18.612 86 H5 C 8 H5 C 8 -3.956 0.962 20.127 87 H6 C 8 H6 C 8 -6.272 0.373 20.513 88 H3T C 8 HO3' C 8 -7.947 -2.737 23.964 89 1H5* G 9 1H5' G 9 3.854 -10.378 15.824 90 2H5* G 9 2H5' G 9 3.297 -10.320 14.135 91 H4* G 9 H4' G 9 1.399 -10.815 15.635 92 H3* G 9 H3' G 9 1.368 -8.011 14.474 93 1H2* G 9 H2' G 9 -0.920 -7.967 15.300 94 2HO* G 9 HO2' G 9 -1.742 -9.867 16.295 95 H1* G 9 H1' G 9 -0.217 -8.948 17.734 96 H8 G 9 H8 G 9 2.656 -6.733 16.684 97 H1 G 9 H1 G 9 -2.547 -3.470 18.549 98 1H2 G 9 1H2 G 9 -4.144 -6.561 18.396 99 2H2 G 9 2H2 G 9 -4.283 -4.849 18.723 100 H5T G 9 H5' G 9 4.643 -8.551 14.665 101 1H5* G 10 1H5' G 1 -2.336 -10.211 13.758 102 2H5* G 10 2H5' G 1 -2.841 -9.914 12.085 103 H4* G 10 H4' G 1 -4.722 -9.552 13.613 104 H3* G 10 H3' G 1 -3.607 -7.032 12.382 105 1H2* G 10 H2' G 1 -5.649 -6.009 13.195 106 2HO* G 10 HO2' G 1 -6.324 -8.645 14.022 107 H1* G 10 H1' G 1 -5.336 -6.991 15.650 108 H8 G 10 H8 G 1 -1.830 -6.608 14.444 109 H1 G 10 H1 G 1 -4.493 -1.071 16.304 110 1H2 G 10 1H2 G 1 -7.474 -2.873 16.294 111 2H2 G 10 2H2 G 1 -6.686 -1.335 16.571 112 1H5* A 11 1H5' A 1 -7.759 -7.166 11.781 113 2H5* A 11 2H5' A 1 -8.164 -6.685 10.122 114 H4* A 11 H4' A 1 -9.409 -5.329 11.759 115 H3* A 11 H3' A 1 -7.272 -3.866 10.215 116 1H2* A 11 H2' A 1 -8.284 -1.836 11.099 117 2HO* A 11 HO2' A 1 -10.263 -3.639 12.127 118 H1* A 11 H1' A 1 -8.462 -2.867 13.675 119 H8 A 11 H8 A 1 -5.344 -4.356 12.333 120 1H6 A 11 1H6 A 1 -2.528 1.009 13.645 121 2H6 A 11 2H6 A 1 -2.293 -0.654 13.151 122 H2 A 11 H2 A 1 -6.953 1.579 14.089 123 1H5* G 12 1H5' G 1 -10.749 -1.625 10.021 124 2H5* G 12 2H5' G 1 -11.104 -1.147 8.348 125 H4* G 12 H4' G 1 -11.042 0.839 9.789 126 H3* G 12 H3' G 1 -8.542 0.521 8.154 127 1H2* G 12 H2' G 1 -8.254 2.875 8.824 128 2HO* G 12 HO2' G 1 -9.905 3.814 10.110 129 H1* G 12 H1' G 1 -8.873 2.276 11.400 130 H8 G 12 H8 G 1 -6.851 -0.633 10.149 131 H1 G 12 H1 G 1 -3.347 4.533 11.634 132 1H2 G 12 1H2 G 1 -4.665 6.292 11.914 133 2H2 G 12 2H2 G 1 -6.402 6.183 11.745 134 1H5* U 13 1H5' U 1 -9.965 4.304 7.594 135 2H5* U 13 2H5' U 1 -9.897 4.809 5.894 136 H4* U 13 H4' U 1 -8.566 6.339 7.317 137 H3* U 13 H3' U 1 -7.065 4.518 5.433 138 1H2* U 13 H2' U 1 -5.095 5.629 5.984 139 2HO* U 13 HO2' U 1 -6.782 7.545 7.239 140 H1* U 13 H1' U 1 -5.602 5.875 8.617 141 H3 U 13 H3 U 1 -2.119 2.982 8.351 142 H5 U 13 H5 U 1 -5.595 0.686 7.620 143 H6 U 13 H6 U 1 -6.833 2.687 7.531 144 1H5* U 14 1H5' U 1 -6.073 9.119 4.773 145 2H5* U 14 2H5' U 1 -5.992 9.236 3.000 146 H4* U 14 H4' U 1 -4.024 10.378 3.950 147 H3* U 14 H3' U 1 -3.418 7.696 2.673 148 1H2* U 14 H2' U 1 -1.104 8.335 2.924 149 2HO* U 14 HO2' U 1 -2.162 10.838 3.768 150 H1* U 14 H1' U 1 -1.406 9.173 5.454 151 H3 U 14 H3 U 1 0.698 5.099 5.605 152 H5 U 14 H5 U 1 -3.443 4.325 5.659 153 H6 U 14 H6 U 1 -3.788 6.645 5.102 154 1H5* C 15 1H5' C 1 -0.623 10.635 1.190 155 2H5* C 15 2H5' C 1 -0.468 10.404 -0.562 156 H4* C 15 H4' C 1 1.761 10.360 0.487 157 H3* C 15 H3' C 1 0.750 7.684 -0.522 158 1H2* C 15 H2' C 1 3.029 6.936 -0.164 159 2HO* C 15 HO2' C 1 3.557 9.671 0.399 160 H1* C 15 H1' C 1 3.258 8.091 2.256 161 1H4 C 15 1H4 C 1 -0.330 2.663 3.383 162 2H4 C 15 2H4 C 1 1.342 2.169 3.535 163 H5 C 15 H5 C 1 -0.993 4.917 2.622 164 H6 C 15 H6 C 1 -0.162 7.055 1.914 165 1H5* C 16 1H5' C 1 4.674 8.596 -2.103 166 2H5* C 16 2H5' C 1 4.791 8.011 -3.774 167 H4* C 16 H4' C 1 6.593 7.023 -2.371 168 H3* C 16 H3' C 1 4.403 5.117 -3.265 169 1H2* C 16 H2' C 1 5.785 3.382 -2.443 170 2HO* C 16 HO2' C 1 7.750 4.206 -3.338 171 H1* C 16 H1' C 1 6.654 4.816 -0.197 172 1H4 C 16 1H4 C 1 0.884 1.605 0.785 173 2H4 C 16 2H4 C 1 2.130 0.527 1.368 174 H5 C 16 H5 C 1 1.375 3.748 -0.307 175 H6 C 16 H6 C 1 3.158 5.225 -1.010 176 H3T C 16 HO3' C 1 7.011 5.772 -4.233 Start of MODEL 19 1 1H5* G 1 1H5' G 1 6.526 -8.837 1.267 2 2H5* G 1 2H5' G 1 7.019 -8.739 2.973 3 H4* G 1 H4' G 1 8.264 -7.082 1.629 4 H3* G 1 H3' G 1 6.145 -5.854 3.424 5 1H2* G 1 H2' G 1 7.266 -3.765 2.894 6 2HO* G 1 HO2' G 1 9.161 -3.858 1.603 7 H1* G 1 H1' G 1 7.412 -4.341 0.236 8 H8 G 1 H8 G 1 4.073 -5.652 1.456 9 H1 G 1 H1 G 1 4.257 0.706 0.605 10 1H2 G 1 1H2 G 1 7.695 0.243 0.323 11 2H2 G 1 2H2 G 1 6.358 1.370 0.322 12 H5T G 1 H5' G 1 5.162 -7.495 3.369 13 1H5* G 2 1H5' G 2 10.132 -4.139 3.975 14 2H5* G 2 2H5' G 2 10.408 -3.953 5.716 15 H4* G 2 H4' G 2 10.958 -1.863 4.547 16 H3* G 2 H3' G 2 8.474 -1.776 6.245 17 1H2* G 2 H2' G 2 8.558 0.601 5.967 18 2HO* G 2 HO2' G 2 10.350 1.514 4.862 19 H1* G 2 H1' G 2 9.032 0.467 3.314 20 H8 G 2 H8 G 2 6.779 -2.413 4.108 21 H1 G 2 H1 G 2 3.752 3.183 3.206 22 1H2 G 2 1H2 G 2 6.955 4.548 3.293 23 2H2 G 2 2H2 G 2 5.239 4.834 3.109 24 1H5* A 3 1H5' A 3 9.407 1.643 9.848 25 2H5* A 3 2H5' A 3 8.073 1.262 8.740 26 H4* A 3 H4' A 3 10.138 3.473 8.331 27 H3* A 3 H3' A 3 7.353 3.303 9.417 28 1H2* A 3 H2' A 3 6.740 5.379 8.415 29 2HO* A 3 HO2' A 3 9.524 5.534 7.715 30 H1* A 3 H1' A 3 7.809 4.775 5.942 31 H8 A 3 H8 A 3 6.946 1.368 6.885 32 1H6 A 3 1H6 A 3 1.002 2.666 5.756 33 2H6 A 3 2H6 A 3 2.156 1.402 6.114 34 H2 A 3 H2 A 3 3.308 6.512 5.741 35 1H5* G 4 1H5' G 4 7.973 7.292 9.626 36 2H5* G 4 2H5' G 4 7.771 7.867 11.296 37 H4* G 4 H4' G 4 6.215 9.060 9.807 38 H3* G 4 H3' G 4 4.909 6.903 11.431 39 1H2* G 4 H2' G 4 2.877 8.103 10.737 40 2HO* G 4 HO2' G 4 3.151 9.964 9.422 41 H1* G 4 H1' G 4 3.740 8.174 8.170 42 H8 G 4 H8 G 4 4.871 4.814 9.348 43 H1 G 4 H1 G 4 -1.448 5.134 8.325 44 1H2 G 4 1H2 G 4 -2.086 7.246 8.129 45 2H2 G 4 2H2 G 4 -0.947 8.570 8.231 46 1H5* U 5 1H5' U 5 2.756 10.304 11.949 47 2H5* U 5 2H5' U 5 2.312 10.600 13.642 48 H4* U 5 H4' U 5 0.291 10.430 12.206 49 H3* U 5 H3' U 5 0.821 8.223 14.197 50 1H2* U 5 H2' U 5 -1.228 7.259 13.658 51 2HO* U 5 HO2' U 5 -1.761 9.691 12.282 52 H1* U 5 H1' U 5 -1.100 7.687 11.008 53 H3 U 5 H3 U 5 -0.822 3.199 11.506 54 H5 U 5 H5 U 5 3.104 4.689 12.031 55 H6 U 5 H6 U 5 2.212 6.865 12.062 56 1H5* U 6 1H5' U 6 -3.458 10.217 14.595 57 2H5* U 6 2H5' U 6 -3.691 10.325 16.355 58 H4* U 6 H4' U 6 -5.745 9.395 15.334 59 H3* U 6 H3' U 6 -4.065 7.379 16.854 60 1H2* U 6 H2' U 6 -5.974 5.923 16.588 61 2HO* U 6 HO2' U 6 -7.864 6.764 15.598 62 H1* U 6 H1' U 6 -6.297 6.496 13.989 63 H3 U 6 H3 U 6 -4.367 2.340 14.199 64 H5 U 6 H5 U 6 -1.223 5.153 14.101 65 H6 U 6 H6 U 6 -2.866 6.864 14.503 66 1H5* C 7 1H5' C 7 -8.220 7.146 18.071 67 2H5* C 7 2H5' C 7 -8.281 6.934 19.830 68 H4* C 7 H4' C 7 -9.565 5.141 18.697 69 H3* C 7 H3' C 7 -6.973 4.278 20.013 70 1H2* C 7 H2' C 7 -7.823 2.033 19.662 71 2HO* C 7 HO2' C 7 -9.920 1.780 18.792 72 H1* C 7 H1' C 7 -8.587 2.490 17.126 73 1H4 C 7 1H4 C 7 -2.044 1.761 16.672 74 2H4 C 7 2H4 C 7 -2.716 0.157 16.488 75 H5 C 7 H5 C 7 -3.416 3.728 17.258 76 H6 C 7 H6 C 7 -5.648 4.473 17.732 77 1H5* C 8 1H5' C 8 -10.356 1.912 21.355 78 2H5* C 8 2H5' C 8 -10.150 1.505 23.071 79 H4* C 8 H4' C 8 -10.423 -0.561 21.717 80 H3* C 8 H3' C 8 -7.645 -0.073 22.841 81 1H2* C 8 H2' C 8 -7.150 -2.290 22.157 82 2HO* C 8 HO2' C 8 -9.216 -3.141 22.884 83 H1* C 8 H1' C 8 -8.522 -2.091 19.736 84 1H4 C 8 1H4 C 8 -2.335 0.399 19.418 85 2H4 C 8 2H4 C 8 -2.213 -1.246 18.840 86 H5 C 8 H5 C 8 -4.416 1.360 20.289 87 H6 C 8 H6 C 8 -6.745 0.898 20.744 88 H3T C 8 HO3' C 8 -8.486 -1.526 24.425 89 1H5* G 9 1H5' G 9 3.146 -10.653 18.391 90 2H5* G 9 2H5' G 9 2.770 -10.960 16.680 91 H4* G 9 H4' G 9 0.699 -10.940 18.036 92 H3* G 9 H3' G 9 1.045 -8.536 16.215 93 1H2* G 9 H2' G 9 -1.279 -8.088 16.737 94 2HO* G 9 HO2' G 9 -1.186 -10.618 18.048 95 H1* G 9 H1' G 9 -0.957 -8.595 19.401 96 H8 G 9 H8 G 9 2.122 -6.717 18.237 97 H1 G 9 H1 G 9 -3.061 -3.023 19.057 98 1H2 G 9 1H2 G 9 -4.777 -6.041 19.291 99 2H2 G 9 2H2 G 9 -4.865 -4.295 19.305 100 H5T G 9 H5' G 9 3.221 -8.424 17.873 101 1H5* G 10 1H5' G 1 -2.796 -10.629 15.666 102 2H5* G 10 2H5' G 1 -3.094 -10.737 13.923 103 H4* G 10 H4' G 1 -5.090 -9.879 15.061 104 H3* G 10 H3' G 1 -3.608 -7.864 13.386 105 1H2* G 10 H2' G 1 -5.541 -6.473 13.637 106 2HO* G 10 HO2' G 1 -7.379 -7.329 14.711 107 H1* G 10 H1' G 1 -5.767 -6.938 16.288 108 H8 G 10 H8 G 1 -2.101 -6.909 15.529 109 H1 G 10 H1 G 1 -4.692 -1.104 16.459 110 1H2 G 10 1H2 G 1 -7.727 -2.809 16.336 111 2H2 G 10 2H2 G 1 -6.909 -1.276 16.538 112 1H5* A 11 1H5' A 1 -6.857 -6.501 9.751 113 2H5* A 11 2H5' A 1 -5.754 -5.680 10.876 114 H4* A 11 H4' A 1 -8.769 -5.980 11.257 115 H3* A 11 H3' A 1 -6.935 -3.857 10.206 116 1H2* A 11 H2' A 1 -8.248 -2.126 11.198 117 2HO* A 11 HO2' A 1 -10.203 -2.741 12.314 118 H1* A 11 H1' A 1 -8.428 -3.364 13.664 119 H8 A 11 H8 A 1 -5.174 -4.708 12.743 120 1H6 A 11 1H6 A 1 -2.662 0.816 13.961 121 2H6 A 11 2H6 A 1 -2.338 -0.862 13.586 122 H2 A 11 H2 A 1 -7.123 1.275 13.939 123 1H5* G 12 1H5' G 1 -10.519 -1.985 9.971 124 2H5* G 12 2H5' G 1 -10.842 -1.467 8.302 125 H4* G 12 H4' G 1 -10.925 0.469 9.814 126 H3* G 12 H3' G 1 -8.401 0.289 8.209 127 1H2* G 12 H2' G 1 -8.157 2.616 8.931 128 2HO* G 12 HO2' G 1 -10.720 2.254 10.093 129 H1* G 12 H1' G 1 -8.768 1.951 11.488 130 H8 G 12 H8 G 1 -6.701 -0.933 10.316 131 H1 G 12 H1 G 1 -3.254 4.355 11.431 132 1H2 G 12 1H2 G 1 -4.590 6.113 11.628 133 2H2 G 12 2H2 G 1 -6.329 5.971 11.498 134 1H5* U 13 1H5' U 1 -9.844 4.043 7.705 135 2H5* U 13 2H5' U 1 -9.802 4.579 6.014 136 H4* U 13 H4' U 1 -8.459 6.088 7.460 137 H3* U 13 H3' U 1 -6.993 4.332 5.488 138 1H2* U 13 H2' U 1 -5.006 5.413 6.036 139 2HO* U 13 HO2' U 1 -5.047 7.315 7.335 140 H1* U 13 H1' U 1 -5.455 5.568 8.687 141 H3 U 13 H3 U 1 -2.001 2.678 8.224 142 H5 U 13 H5 U 1 -5.529 0.405 7.672 143 H6 U 13 H6 U 1 -6.749 2.416 7.624 144 1H5* U 14 1H5' U 1 -6.064 8.948 5.085 145 2H5* U 14 2H5' U 1 -5.992 9.202 3.327 146 H4* U 14 H4' U 1 -4.052 10.318 4.378 147 H3* U 14 H3' U 1 -3.385 7.786 2.850 148 1H2* U 14 H2' U 1 -1.087 8.462 3.152 149 2HO* U 14 HO2' U 1 -2.205 10.841 4.238 150 H1* U 14 H1' U 1 -1.388 9.047 5.748 151 H3 U 14 H3 U 1 0.817 5.026 5.526 152 H5 U 14 H5 U 1 -3.314 4.168 5.608 153 H6 U 14 H6 U 1 -3.712 6.507 5.210 154 1H5* C 15 1H5' C 1 -0.710 10.970 1.676 155 2H5* C 15 2H5' C 1 -0.508 10.912 -0.084 156 H4* C 15 H4' C 1 1.696 10.856 1.034 157 H3* C 15 H3' C 1 0.827 8.276 -0.300 158 1H2* C 15 H2' C 1 3.125 7.583 0.045 159 2HO* C 15 HO2' C 1 3.521 10.253 0.929 160 H1* C 15 H1' C 1 3.241 8.458 2.584 161 1H4 C 15 1H4 C 1 -0.147 2.814 3.041 162 2H4 C 15 2H4 C 1 1.538 2.372 3.205 163 H5 C 15 H5 C 1 -0.882 5.102 2.475 164 H6 C 15 H6 C 1 -0.122 7.330 2.006 165 1H5* C 16 1H5' C 1 4.753 9.518 -1.654 166 2H5* C 16 2H5' C 1 4.932 9.127 -3.376 167 H4* C 16 H4' C 1 6.741 8.053 -2.055 168 H3* C 16 H3' C 1 4.632 6.175 -3.173 169 1H2* C 16 H2' C 1 6.080 4.415 -2.522 170 2HO* C 16 HO2' C 1 8.013 5.522 -3.272 171 H1* C 16 H1' C 1 6.813 5.608 -0.104 172 1H4 C 16 1H4 C 1 1.078 2.213 0.297 173 2H4 C 16 2H4 C 1 2.320 1.109 0.840 174 H5 C 16 H5 C 1 1.565 4.459 -0.560 175 H6 C 16 H6 C 1 3.341 6.030 -1.036 176 H3T C 16 HO3' C 1 6.273 5.960 -4.781 Start of MODEL 20 1 1H5* G 1 1H5' G 1 6.680 -8.954 1.658 2 2H5* G 1 2H5' G 1 7.116 -8.811 3.377 3 H4* G 1 H4' G 1 8.416 -7.196 2.031 4 H3* G 1 H3' G 1 6.246 -5.939 3.742 5 1H2* G 1 H2' G 1 7.373 -3.851 3.203 6 2HO* G 1 HO2' G 1 9.300 -3.958 1.963 7 H1* G 1 H1' G 1 7.586 -4.466 0.562 8 H8 G 1 H8 G 1 4.232 -5.794 1.727 9 H1 G 1 H1 G 1 4.371 0.551 0.771 10 1H2 G 1 1H2 G 1 7.819 0.119 0.573 11 2H2 G 1 2H2 G 1 6.471 1.233 0.523 12 H5T G 1 H5' G 1 4.852 -8.884 3.049 13 1H5* G 2 1H5' G 2 10.209 -4.187 4.359 14 2H5* G 2 2H5' G 2 10.442 -3.957 6.100 15 H4* G 2 H4' G 2 11.000 -1.892 4.891 16 H3* G 2 H3' G 2 8.485 -1.786 6.540 17 1H2* G 2 H2' G 2 8.551 0.584 6.206 18 2HO* G 2 HO2' G 2 10.354 1.488 5.111 19 H1* G 2 H1' G 2 9.074 0.392 3.566 20 H8 G 2 H8 G 2 6.835 -2.491 4.388 21 H1 G 2 H1 G 2 3.772 3.054 3.313 22 1H2 G 2 1H2 G 2 6.961 4.450 3.424 23 2H2 G 2 2H2 G 2 5.246 4.717 3.207 24 1H5* A 3 1H5' A 3 9.330 1.743 10.063 25 2H5* A 3 2H5' A 3 8.016 1.317 8.948 26 H4* A 3 H4' A 3 10.069 3.533 8.502 27 H3* A 3 H3' A 3 7.272 3.371 9.558 28 1H2* A 3 H2' A 3 6.652 5.410 8.488 29 2HO* A 3 HO2' A 3 9.443 5.573 7.820 30 H1* A 3 H1' A 3 7.759 4.746 6.047 31 H8 A 3 H8 A 3 6.913 1.360 7.075 32 1H6 A 3 1H6 A 3 0.971 2.582 5.838 33 2H6 A 3 2H6 A 3 2.130 1.336 6.243 34 H2 A 3 H2 A 3 3.250 6.442 5.744 35 1H5* G 4 1H5' G 4 7.838 7.375 9.651 36 2H5* G 4 2H5' G 4 7.626 7.987 11.306 37 H4* G 4 H4' G 4 6.059 9.130 9.795 38 H3* G 4 H3' G 4 4.773 6.983 11.449 39 1H2* G 4 H2' G 4 2.728 8.153 10.736 40 2HO* G 4 HO2' G 4 2.986 9.998 9.396 41 H1* G 4 H1' G 4 3.602 8.198 8.169 42 H8 G 4 H8 G 4 4.755 4.866 9.412 43 H1 G 4 H1 G 4 -1.552 5.111 8.297 44 1H2 G 4 1H2 G 4 -2.208 7.214 8.060 45 2H2 G 4 2H2 G 4 -1.083 8.550 8.160 46 1H5* U 5 1H5' U 5 2.598 10.386 11.914 47 2H5* U 5 2H5' U 5 2.154 10.697 13.604 48 H4* U 5 H4' U 5 0.131 10.501 12.177 49 H3* U 5 H3' U 5 0.682 8.298 14.169 50 1H2* U 5 H2' U 5 -1.388 7.359 13.651 51 2HO* U 5 HO2' U 5 -2.546 9.370 13.612 52 H1* U 5 H1' U 5 -1.265 7.780 10.999 53 H3 U 5 H3 U 5 -1.026 3.281 11.511 54 H5 U 5 H5 U 5 2.910 4.742 12.047 55 H6 U 5 H6 U 5 2.038 6.926 12.061 56 1H5* U 6 1H5' U 6 -3.611 10.385 14.808 57 2H5* U 6 2H5' U 6 -3.745 10.383 16.580 58 H4* U 6 H4' U 6 -5.848 9.514 15.586 59 H3* U 6 H3' U 6 -4.115 7.452 16.976 60 1H2* U 6 H2' U 6 -6.022 5.992 16.730 61 2HO* U 6 HO2' U 6 -7.349 8.321 15.776 62 H1* U 6 H1' U 6 -6.452 6.657 14.166 63 H3 U 6 H3 U 6 -4.524 2.491 14.227 64 H5 U 6 H5 U 6 -1.372 5.286 14.097 65 H6 U 6 H6 U 6 -3.000 7.003 14.553 66 1H5* C 7 1H5' C 7 -8.201 7.094 18.370 67 2H5* C 7 2H5' C 7 -8.160 6.878 20.130 68 H4* C 7 H4' C 7 -9.464 5.056 19.087 69 H3* C 7 H3' C 7 -6.761 4.246 20.201 70 1H2* C 7 H2' C 7 -7.577 1.983 19.892 71 2HO* C 7 HO2' C 7 -9.728 1.686 19.172 72 H1* C 7 H1' C 7 -8.543 2.444 17.424 73 1H4 C 7 1H4 C 7 -2.027 1.871 16.525 74 2H4 C 7 2H4 C 7 -2.669 0.248 16.400 75 H5 C 7 H5 C 7 -3.409 3.808 17.186 76 H6 C 7 H6 C 7 -5.624 4.499 17.802 77 1H5* C 8 1H5' C 8 -9.968 1.780 21.757 78 2H5* C 8 2H5' C 8 -9.632 1.368 23.450 79 H4* C 8 H4' C 8 -9.945 -0.696 22.099 80 H3* C 8 H3' C 8 -7.107 -0.146 23.028 81 1H2* C 8 H2' C 8 -6.613 -2.346 22.300 82 2HO* C 8 HO2' C 8 -8.358 -3.738 21.657 83 H1* C 8 H1' C 8 -8.172 -2.168 19.988 84 1H4 C 8 1H4 C 8 -2.056 0.390 19.218 85 2H4 C 8 2H4 C 8 -1.952 -1.262 18.655 86 H5 C 8 H5 C 8 -4.085 1.334 20.222 87 H6 C 8 H6 C 8 -6.373 0.847 20.841 88 H3T C 8 HO3' C 8 -8.751 -0.378 24.647 89 1H5* G 9 1H5' G 9 3.395 -10.560 17.114 90 2H5* G 9 2H5' G 9 2.903 -10.668 15.408 91 H4* G 9 H4' G 9 0.934 -10.879 16.892 92 H3* G 9 H3' G 9 1.076 -8.247 15.385 93 1H2* G 9 H2' G 9 -1.250 -8.036 16.098 94 2HO* G 9 HO2' G 9 -1.616 -10.377 15.875 95 H1* G 9 H1' G 9 -0.666 -8.734 18.661 96 H8 G 9 H8 G 9 2.284 -6.708 17.418 97 H1 G 9 H1 G 9 -2.842 -3.158 18.931 98 1H2 G 9 1H2 G 9 -4.516 -6.208 19.065 99 2H2 G 9 2H2 G 9 -4.614 -4.469 19.225 100 H5T G 9 H5' G 9 3.390 -8.287 16.874 101 1H5* G 10 1H5' G 1 -2.756 -10.446 14.570 102 2H5* G 10 2H5' G 1 -3.112 -10.184 12.855 103 H4* G 10 H4' G 1 -5.068 -9.643 14.251 104 H3* G 10 H3' G 1 -3.744 -7.253 12.969 105 1H2* G 10 H2' G 1 -5.809 -6.127 13.585 106 2HO* G 10 HO2' G 1 -7.421 -7.359 14.663 107 H1* G 10 H1' G 1 -5.689 -6.993 16.100 108 H8 G 10 H8 G 1 -2.108 -6.739 15.070 109 H1 G 10 H1 G 1 -4.763 -1.077 16.533 110 1H2 G 10 1H2 G 1 -7.761 -2.852 16.511 111 2H2 G 10 2H2 G 1 -6.967 -1.310 16.741 112 1H5* A 11 1H5' A 1 -7.882 -7.349 12.107 113 2H5* A 11 2H5' A 1 -8.179 -6.915 10.414 114 H4* A 11 H4' A 1 -9.507 -5.497 11.941 115 H3* A 11 H3' A 1 -7.277 -4.098 10.469 116 1H2* A 11 H2' A 1 -8.356 -2.041 11.216 117 2HO* A 11 HO2' A 1 -10.320 -2.259 12.427 118 H1* A 11 H1' A 1 -8.637 -2.977 13.818 119 H8 A 11 H8 A 1 -5.471 -4.520 12.657 120 1H6 A 11 1H6 A 1 -2.685 0.889 13.825 121 2H6 A 11 2H6 A 1 -2.440 -0.791 13.400 122 H2 A 11 H2 A 1 -7.117 1.477 14.148 123 1H5* G 12 1H5' G 1 -10.749 -1.900 10.021 124 2H5* G 12 2H5' G 1 -11.024 -1.459 8.323 125 H4* G 12 H4' G 1 -11.057 0.541 9.750 126 H3* G 12 H3' G 1 -8.521 0.239 8.180 127 1H2* G 12 H2' G 1 -8.244 2.590 8.827 128 2HO* G 12 HO2' G 1 -10.826 2.319 9.967 129 H1* G 12 H1' G 1 -8.909 2.037 11.395 130 H8 G 12 H8 G 1 -6.871 -0.907 10.285 131 H1 G 12 H1 G 1 -3.358 4.331 11.453 132 1H2 G 12 1H2 G 1 -4.671 6.105 11.644 133 2H2 G 12 2H2 G 1 -6.411 5.987 11.501 134 1H5* U 13 1H5' U 1 -9.934 4.009 7.551 135 2H5* U 13 2H5' U 1 -9.843 4.507 5.852 136 H4* U 13 H4' U 1 -8.538 6.041 7.309 137 H3* U 13 H3' U 1 -7.028 4.259 5.397 138 1H2* U 13 H2' U 1 -5.051 5.346 5.977 139 2HO* U 13 HO2' U 1 -6.733 7.246 7.265 140 H1* U 13 H1' U 1 -5.562 5.549 8.612 141 H3 U 13 H3 U 1 -2.092 2.659 8.279 142 H5 U 13 H5 U 1 -5.593 0.369 7.648 143 H6 U 13 H6 U 1 -6.819 2.376 7.549 144 1H5* U 14 1H5' U 1 -6.068 8.874 4.933 145 2H5* U 14 2H5' U 1 -5.978 9.089 3.170 146 H4* U 14 H4' U 1 -4.033 10.212 4.209 147 H3* U 14 H3' U 1 -3.381 7.632 2.756 148 1H2* U 14 H2' U 1 -1.080 8.304 3.056 149 2HO* U 14 HO2' U 1 -0.650 10.343 4.015 150 H1* U 14 H1' U 1 -1.401 8.954 5.637 151 H3 U 14 H3 U 1 0.783 4.918 5.521 152 H5 U 14 H5 U 1 -3.353 4.086 5.617 153 H6 U 14 H6 U 1 -3.736 6.418 5.162 154 1H5* C 15 1H5' C 1 -0.686 10.788 1.522 155 2H5* C 15 2H5' C 1 -0.467 10.682 -0.234 156 H4* C 15 H4' C 1 1.731 10.652 0.907 157 H3* C 15 H3' C 1 0.868 8.033 -0.356 158 1H2* C 15 H2' C 1 3.169 7.368 0.021 159 2HO* C 15 HO2' C 1 4.630 8.909 0.868 160 H1* C 15 H1' C 1 3.253 8.308 2.537 161 1H4 C 15 1H4 C 1 -0.110 2.657 3.092 162 2H4 C 15 2H4 C 1 1.575 2.228 3.285 163 H5 C 15 H5 C 1 -0.851 4.927 2.465 164 H6 C 15 H6 C 1 -0.098 7.147 1.951 165 1H5* C 16 1H5' C 1 4.796 9.299 -1.707 166 2H5* C 16 2H5' C 1 5.010 8.852 -3.412 167 H4* C 16 H4' C 1 6.822 7.875 -2.020 168 H3* C 16 H3' C 1 4.789 5.912 -3.132 169 1H2* C 16 H2' C 1 6.254 4.202 -2.392 170 2HO* C 16 HO2' C 1 8.132 6.297 -1.886 171 H1* C 16 H1' C 1 6.897 5.468 0.011 172 1H4 C 16 1H4 C 1 1.198 2.009 0.358 173 2H4 C 16 2H4 C 1 2.438 0.941 0.969 174 H5 C 16 H5 C 1 1.680 4.232 -0.560 175 H6 C 16 H6 C 1 3.448 5.812 -1.036 176 H3T C 16 HO3' C 1 7.414 6.681 -3.948 Start of MODEL 21 1 1H5* G 1 1H5' G 1 6.698 -9.036 2.704 2 2H5* G 1 2H5' G 1 6.939 -8.739 4.441 3 H4* G 1 H4' G 1 8.404 -7.257 3.113 4 H3* G 1 H3' G 1 6.070 -5.839 4.437 5 1H2* G 1 H2' G 1 7.291 -3.819 3.850 6 2HO* G 1 HO2' G 1 9.337 -4.050 2.839 7 H1* G 1 H1' G 1 7.745 -4.653 1.305 8 H8 G 1 H8 G 1 4.307 -5.924 2.284 9 H1 G 1 H1 G 1 4.457 0.331 0.857 10 1H2 G 1 1H2 G 1 7.916 -0.061 0.936 11 2H2 G 1 2H2 G 1 6.564 1.023 0.701 12 H5T G 1 H5' G 1 4.726 -8.835 3.867 13 1H5* G 2 1H5' G 2 9.967 -4.118 5.389 14 2H5* G 2 2H5' G 2 9.991 -3.645 7.098 15 H4* G 2 H4' G 2 10.755 -1.787 5.674 16 H3* G 2 H3' G 2 8.048 -1.355 6.938 17 1H2* G 2 H2' G 2 8.406 0.954 6.275 18 2HO* G 2 HO2' G 2 10.366 1.468 5.192 19 H1* G 2 H1' G 2 9.030 0.283 3.774 20 H8 G 2 H8 G 2 6.657 -2.390 4.858 21 H1 G 2 H1 G 2 3.759 3.103 3.229 22 1H2 G 2 1H2 G 2 6.982 4.428 3.261 23 2H2 G 2 2H2 G 2 5.275 4.717 3.006 24 1H5* A 3 1H5' A 3 10.607 1.908 7.735 25 2H5* A 3 2H5' A 3 10.432 2.444 9.416 26 H4* A 3 H4' A 3 10.092 4.322 7.847 27 H3* A 3 H3' A 3 7.632 3.401 9.328 28 1H2* A 3 H2' A 3 6.627 5.476 8.529 29 2HO* A 3 HO2' A 3 7.981 6.896 7.293 30 H1* A 3 H1' A 3 7.562 5.089 5.940 31 H8 A 3 H8 A 3 6.900 1.654 7.173 32 1H6 A 3 1H6 A 3 0.906 2.632 5.944 33 2H6 A 3 2H6 A 3 2.103 1.439 6.401 34 H2 A 3 H2 A 3 3.089 6.527 5.554 35 1H5* G 4 1H5' G 4 7.918 7.514 9.675 36 2H5* G 4 2H5' G 4 7.734 8.027 11.364 37 H4* G 4 H4' G 4 6.139 9.219 9.931 38 H3* G 4 H3' G 4 4.879 7.017 11.529 39 1H2* G 4 H2' G 4 2.820 8.191 10.880 40 2HO* G 4 HO2' G 4 4.574 10.090 9.713 41 H1* G 4 H1' G 4 3.656 8.371 8.306 42 H8 G 4 H8 G 4 4.809 4.991 9.448 43 H1 G 4 H1 G 4 -1.486 5.272 8.248 44 1H2 G 4 1H2 G 4 -2.130 7.380 8.033 45 2H2 G 4 2H2 G 4 -1.003 8.711 8.173 46 1H5* U 5 1H5' U 5 2.716 10.418 12.137 47 2H5* U 5 2H5' U 5 2.278 10.659 13.838 48 H4* U 5 H4' U 5 0.255 10.531 12.405 49 H3* U 5 H3' U 5 0.792 8.253 14.313 50 1H2* U 5 H2' U 5 -1.281 7.346 13.766 51 2HO* U 5 HO2' U 5 -1.792 9.836 12.491 52 H1* U 5 H1' U 5 -1.173 7.883 11.128 53 H3 U 5 H3 U 5 -0.995 3.361 11.436 54 H5 U 5 H5 U 5 2.958 4.738 12.057 55 H6 U 5 H6 U 5 2.117 6.935 12.163 56 1H5* U 6 1H5' U 6 -3.450 10.295 14.905 57 2H5* U 6 2H5' U 6 -3.627 10.327 16.674 58 H4* U 6 H4' U 6 -5.722 9.472 15.687 59 H3* U 6 H3' U 6 -4.015 7.365 17.045 60 1H2* U 6 H2' U 6 -5.934 5.928 16.770 61 2HO* U 6 HO2' U 6 -7.239 8.287 15.859 62 H1* U 6 H1' U 6 -6.354 6.642 14.217 63 H3 U 6 H3 U 6 -4.443 2.475 14.155 64 H5 U 6 H5 U 6 -1.280 5.258 14.124 65 H6 U 6 H6 U 6 -2.902 6.965 14.639 66 1H5* C 7 1H5' C 7 -8.092 6.989 18.435 67 2H5* C 7 2H5' C 7 -8.045 6.754 20.192 68 H4* C 7 H4' C 7 -9.345 4.938 19.145 69 H3* C 7 H3' C 7 -6.625 4.124 20.213 70 1H2* C 7 H2' C 7 -7.437 1.861 19.886 71 2HO* C 7 HO2' C 7 -9.596 1.566 19.192 72 H1* C 7 H1' C 7 -8.438 2.353 17.436 73 1H4 C 7 1H4 C 7 -1.932 1.814 16.446 74 2H4 C 7 2H4 C 7 -2.571 0.191 16.306 75 H5 C 7 H5 C 7 -3.312 3.738 17.150 76 H6 C 7 H6 C 7 -5.520 4.412 17.805 77 1H5* C 8 1H5' C 8 -9.819 1.646 21.783 78 2H5* C 8 2H5' C 8 -9.462 1.207 23.465 79 H4* C 8 H4' C 8 -9.808 -0.833 22.086 80 H3* C 8 H3' C 8 -6.955 -0.319 22.988 81 1H2* C 8 H2' C 8 -6.488 -2.512 22.222 82 2HO* C 8 HO2' C 8 -8.252 -3.882 21.586 83 H1* C 8 H1' C 8 -8.086 -2.288 19.938 84 1H4 C 8 1H4 C 8 -1.951 0.194 19.082 85 2H4 C 8 2H4 C 8 -1.879 -1.454 18.504 86 H5 C 8 H5 C 8 -3.948 1.155 20.136 87 H6 C 8 H6 C 8 -6.230 0.691 20.793 88 H3T C 8 HO3' C 8 -8.580 -0.560 24.625 89 1H5* G 9 1H5' G 9 3.321 -10.742 16.743 90 2H5* G 9 2H5' G 9 2.902 -10.745 15.015 91 H4* G 9 H4' G 9 0.868 -11.037 16.380 92 H3* G 9 H3' G 9 1.085 -8.295 15.097 93 1H2* G 9 H2' G 9 -1.249 -8.095 15.739 94 2HO* G 9 HO2' G 9 -2.247 -9.898 16.751 95 H1* G 9 H1' G 9 -0.782 -8.989 18.260 96 H8 G 9 H8 G 9 2.266 -6.973 17.258 97 H1 G 9 H1 G 9 -2.824 -3.374 18.782 98 1H2 G 9 1H2 G 9 -4.577 -6.382 18.694 99 2H2 G 9 2H2 G 9 -4.636 -4.652 18.947 100 H5T G 9 H5' G 9 2.991 -8.478 15.056 101 1H5* G 10 1H5' G 1 -2.616 -10.400 14.186 102 2H5* G 10 2H5' G 1 -3.042 -10.123 12.488 103 H4* G 10 H4' G 1 -4.967 -9.676 13.948 104 H3* G 10 H3' G 1 -3.757 -7.221 12.678 105 1H2* G 10 H2' G 1 -5.799 -6.133 13.401 106 2HO* G 10 HO2' G 1 -6.558 -8.729 14.279 107 H1* G 10 H1' G 1 -5.588 -7.056 15.889 108 H8 G 10 H8 G 1 -2.045 -6.742 14.752 109 H1 G 10 H1 G 1 -4.694 -1.146 16.452 110 1H2 G 10 1H2 G 1 -7.684 -2.937 16.446 111 2H2 G 10 2H2 G 1 -6.892 -1.397 16.701 112 1H5* A 11 1H5' A 1 -7.911 -7.293 11.969 113 2H5* A 11 2H5' A 1 -8.262 -6.831 10.293 114 H4* A 11 H4' A 1 -9.518 -5.417 11.881 115 H3* A 11 H3' A 1 -7.314 -4.025 10.364 116 1H2* A 11 H2' A 1 -8.328 -1.965 11.184 117 2HO* A 11 HO2' A 1 -10.263 -2.168 12.443 118 H1* A 11 H1' A 1 -8.562 -2.947 13.775 119 H8 A 11 H8 A 1 -5.448 -4.509 12.502 120 1H6 A 11 1H6 A 1 -2.568 0.847 13.702 121 2H6 A 11 2H6 A 1 -2.352 -0.827 13.240 122 H2 A 11 H2 A 1 -6.983 1.477 14.149 123 1H5* G 12 1H5' G 1 -10.745 -1.731 10.071 124 2H5* G 12 2H5' G 1 -11.063 -1.271 8.386 125 H4* G 12 H4' G 1 -10.997 0.728 9.815 126 H3* G 12 H3' G 1 -8.496 0.362 8.194 127 1H2* G 12 H2' G 1 -8.185 2.724 8.838 128 2HO* G 12 HO2' G 1 -9.824 3.688 10.120 129 H1* G 12 H1' G 1 -8.795 2.156 11.417 130 H8 G 12 H8 G 1 -6.839 -0.820 10.251 131 H1 G 12 H1 G 1 -3.202 4.338 11.398 132 1H2 G 12 1H2 G 1 -6.218 6.057 11.507 133 2H2 G 12 2H2 G 1 -4.474 6.136 11.625 134 1H5* U 13 1H5' U 1 -9.902 4.148 7.609 135 2H5* U 13 2H5' U 1 -9.848 4.651 5.909 136 H4* U 13 H4' U 1 -8.516 6.186 7.338 137 H3* U 13 H3' U 1 -7.043 4.400 5.400 138 1H2* U 13 H2' U 1 -5.060 5.492 5.936 139 2HO* U 13 HO2' U 1 -6.716 7.399 7.243 140 H1* U 13 H1' U 1 -5.521 5.713 8.580 141 H3 U 13 H3 U 1 -2.039 2.833 8.214 142 H5 U 13 H5 U 1 -5.536 0.528 7.618 143 H6 U 13 H6 U 1 -6.774 2.529 7.539 144 1H5* U 14 1H5' U 1 -6.088 9.020 4.840 145 2H5* U 14 2H5' U 1 -6.025 9.191 3.070 146 H4* U 14 H4' U 1 -4.050 10.317 4.040 147 H3* U 14 H3' U 1 -3.442 7.679 2.673 148 1H2* U 14 H2' U 1 -1.132 8.340 2.917 149 2HO* U 14 HO2' U 1 -0.672 10.410 3.795 150 H1* U 14 H1' U 1 -1.417 9.086 5.479 151 H3 U 14 H3 U 1 0.731 5.038 5.501 152 H5 U 14 H5 U 1 -3.402 4.215 5.552 153 H6 U 14 H6 U 1 -3.775 6.543 5.054 154 1H5* C 15 1H5' C 1 -0.709 10.726 1.267 155 2H5* C 15 2H5' C 1 -0.545 10.547 -0.490 156 H4* C 15 H4' C 1 1.686 10.513 0.570 157 H3* C 15 H3' C 1 0.729 7.849 -0.520 158 1H2* C 15 H2' C 1 3.032 7.158 -0.188 159 2HO* C 15 HO2' C 1 4.546 8.716 0.530 160 H1* C 15 H1' C 1 3.216 8.231 2.272 161 1H4 C 15 1H4 C 1 -0.235 2.677 3.192 162 2H4 C 15 2H4 C 1 1.448 2.223 3.348 163 H5 C 15 H5 C 1 -0.952 4.934 2.493 164 H6 C 15 H6 C 1 -0.174 7.114 1.860 165 1H5* C 16 1H5' C 1 4.624 8.961 -2.062 166 2H5* C 16 2H5' C 1 4.774 8.429 -3.748 167 H4* C 16 H4' C 1 6.616 7.489 -2.368 168 H3* C 16 H3' C 1 4.518 5.507 -3.314 169 1H2* C 16 H2' C 1 5.980 3.814 -2.543 170 2HO* C 16 HO2' C 1 7.910 5.908 -2.296 171 H1* C 16 H1' C 1 6.751 5.208 -0.242 172 1H4 C 16 1H4 C 1 1.089 1.763 0.555 173 2H4 C 16 2H4 C 1 2.364 0.719 1.138 174 H5 C 16 H5 C 1 1.518 3.946 -0.481 175 H6 C 16 H6 C 1 3.255 5.505 -1.116 176 H3T C 16 HO3' C 1 5.701 6.682 -4.922 Start of MODEL 22 1 1H5* G 1 1H5' G 1 6.009 -9.162 3.524 2 2H5* G 1 2H5' G 1 6.330 -8.768 5.228 3 H4* G 1 H4' G 1 7.843 -7.487 3.769 4 H3* G 1 H3' G 1 5.652 -5.811 5.033 5 1H2* G 1 H2' G 1 6.957 -3.924 4.253 6 2HO* G 1 HO2' G 1 8.853 -5.903 3.469 7 H1* G 1 H1' G 1 7.285 -4.969 1.770 8 H8 G 1 H8 G 1 3.823 -6.004 2.902 9 H1 G 1 H1 G 1 4.213 0.143 1.101 10 1H2 G 1 1H2 G 1 7.654 -0.397 1.136 11 2H2 G 1 2H2 G 1 6.345 0.731 0.863 12 H5T G 1 H5' G 1 4.551 -7.368 5.178 13 1H5* G 2 1H5' G 2 9.654 -4.222 5.757 14 2H5* G 2 2H5' G 2 9.741 -3.670 7.440 15 H4* G 2 H4' G 2 10.554 -1.915 5.926 16 H3* G 2 H3' G 2 7.883 -1.311 7.196 17 1H2* G 2 H2' G 2 8.329 0.950 6.419 18 2HO* G 2 HO2' G 2 10.294 1.324 5.287 19 H1* G 2 H1' G 2 8.887 0.132 3.946 20 H8 G 2 H8 G 2 6.433 -2.400 5.173 21 H1 G 2 H1 G 2 3.711 3.115 3.327 22 1H2 G 2 1H2 G 2 6.977 4.332 3.291 23 2H2 G 2 2H2 G 2 5.279 4.667 3.032 24 1H5* A 3 1H5' A 3 10.531 1.894 7.827 25 2H5* A 3 2H5' A 3 10.403 2.487 9.494 26 H4* A 3 H4' A 3 10.084 4.325 7.886 27 H3* A 3 H3' A 3 7.625 3.499 9.423 28 1H2* A 3 H2' A 3 6.621 5.544 8.568 29 2HO* A 3 HO2' A 3 9.252 6.035 7.534 30 H1* A 3 H1' A 3 7.531 5.090 5.982 31 H8 A 3 H8 A 3 6.846 1.693 7.317 32 1H6 A 3 1H6 A 3 0.860 2.692 6.088 33 2H6 A 3 2H6 A 3 2.049 1.503 6.569 34 H2 A 3 H2 A 3 3.073 6.561 5.593 35 1H5* G 4 1H5' G 4 7.881 7.605 9.648 36 2H5* G 4 2H5' G 4 7.738 8.156 11.330 37 H4* G 4 H4' G 4 6.082 9.294 9.931 38 H3* G 4 H3' G 4 4.894 7.086 11.576 39 1H2* G 4 H2' G 4 2.804 8.223 10.964 40 2HO* G 4 HO2' G 4 4.501 10.140 9.745 41 H1* G 4 H1' G 4 3.584 8.400 8.370 42 H8 G 4 H8 G 4 4.801 5.042 9.506 43 H1 G 4 H1 G 4 -1.513 5.237 8.392 44 1H2 G 4 1H2 G 4 -1.078 8.683 8.307 45 2H2 G 4 2H2 G 4 -2.188 7.335 8.184 46 1H5* U 5 1H5' U 5 2.705 10.479 12.211 47 2H5* U 5 2H5' U 5 2.289 10.715 13.918 48 H4* U 5 H4' U 5 0.248 10.568 12.512 49 H3* U 5 H3' U 5 0.826 8.291 14.409 50 1H2* U 5 H2' U 5 -1.249 7.373 13.888 51 2HO* U 5 HO2' U 5 -1.791 9.864 12.626 52 H1* U 5 H1' U 5 -1.180 7.925 11.250 53 H3 U 5 H3 U 5 -0.984 3.404 11.504 54 H5 U 5 H5 U 5 2.965 4.779 12.150 55 H6 U 5 H6 U 5 2.122 6.976 12.268 56 1H5* U 6 1H5' U 6 -3.410 10.331 15.057 57 2H5* U 6 2H5' U 6 -3.594 10.323 16.826 58 H4* U 6 H4' U 6 -5.682 9.489 15.813 59 H3* U 6 H3' U 6 -3.985 7.338 17.113 60 1H2* U 6 H2' U 6 -5.919 5.924 16.797 61 2HO* U 6 HO2' U 6 -7.200 8.317 15.947 62 H1* U 6 H1' U 6 -6.325 6.711 14.264 63 H3 U 6 H3 U 6 -4.453 2.541 14.032 64 H5 U 6 H5 U 6 -1.254 5.275 14.223 65 H6 U 6 H6 U 6 -2.865 6.979 14.779 66 1H5* C 7 1H5' C 7 -8.050 6.926 18.486 67 2H5* C 7 2H5' C 7 -8.007 6.643 20.236 68 H4* C 7 H4' C 7 -9.308 4.863 19.136 69 H3* C 7 H3' C 7 -6.596 4.016 20.197 70 1H2* C 7 H2' C 7 -7.385 1.759 19.793 71 2HO* C 7 HO2' C 7 -9.860 3.018 19.189 72 H1* C 7 H1' C 7 -8.384 2.313 17.356 73 1H4 C 7 1H4 C 7 -1.876 1.866 16.351 74 2H4 C 7 2H4 C 7 -2.498 0.241 16.166 75 H5 C 7 H5 C 7 -3.274 3.753 17.112 76 H6 C 7 H6 C 7 -5.487 4.386 17.789 77 1H5* C 8 1H5' C 8 -9.723 1.432 21.675 78 2H5* C 8 2H5' C 8 -9.371 0.977 23.354 79 H4* C 8 H4' C 8 -9.627 -1.053 21.945 80 H3* C 8 H3' C 8 -6.798 -0.443 22.871 81 1H2* C 8 H2' C 8 -6.241 -2.598 22.069 82 2HO* C 8 HO2' C 8 -8.182 -3.586 22.955 83 H1* C 8 H1' C 8 -7.862 -2.416 19.792 84 1H4 C 8 1H4 C 8 -1.808 0.268 18.943 85 2H4 C 8 2H4 C 8 -1.682 -1.376 18.361 86 H5 C 8 H5 C 8 -3.839 1.161 19.993 87 H6 C 8 H6 C 8 -6.105 0.621 20.648 88 H3T C 8 HO3' C 8 -8.423 -0.783 24.495 89 1H5* G 9 1H5' G 9 3.641 -10.600 16.202 90 2H5* G 9 2H5' G 9 3.167 -10.544 14.489 91 H4* G 9 H4' G 9 1.180 -10.875 15.929 92 H3* G 9 H3' G 9 1.360 -8.118 14.674 93 1H2* G 9 H2' G 9 -0.959 -7.934 15.387 94 2HO* G 9 HO2' G 9 -1.930 -9.757 16.382 95 H1* G 9 H1' G 9 -0.424 -8.897 17.873 96 H8 G 9 H8 G 9 2.550 -6.774 16.869 97 H1 G 9 H1 G 9 -2.605 -3.357 18.581 98 1H2 G 9 1H2 G 9 -4.277 -6.409 18.448 99 2H2 G 9 2H2 G 9 -4.378 -4.689 18.747 100 H5T G 9 H5' G 9 3.653 -8.313 16.175 101 1H5* G 10 1H5' G 1 -2.355 -10.287 13.826 102 2H5* G 10 2H5' G 1 -2.826 -9.986 12.143 103 H4* G 10 H4' G 1 -4.730 -9.624 13.652 104 H3* G 10 H3' G 1 -3.616 -7.106 12.417 105 1H2* G 10 H2' G 1 -5.678 -6.098 13.204 106 2HO* G 10 HO2' G 1 -6.336 -8.735 14.040 107 H1* G 10 H1' G 1 -5.382 -7.065 15.666 108 H8 G 10 H8 G 1 -1.876 -6.631 14.456 109 H1 G 10 H1 G 1 -4.625 -1.142 16.331 110 1H2 G 10 1H2 G 1 -7.572 -3.003 16.342 111 2H2 G 10 2H2 G 1 -6.812 -1.450 16.613 112 1H5* A 11 1H5' A 1 -7.766 -7.262 11.782 113 2H5* A 11 2H5' A 1 -8.158 -6.787 10.119 114 H4* A 11 H4' A 1 -9.421 -5.430 11.742 115 H3* A 11 H3' A 1 -7.280 -3.968 10.204 116 1H2* A 11 H2' A 1 -8.293 -1.934 11.076 117 2HO* A 11 HO2' A 1 -10.277 -3.733 12.104 118 H1* A 11 H1' A 1 -8.480 -2.951 13.656 119 H8 A 11 H8 A 1 -5.363 -4.457 12.328 120 1H6 A 11 1H6 A 1 -2.536 0.913 13.572 121 2H6 A 11 2H6 A 1 -2.306 -0.754 13.093 122 H2 A 11 H2 A 1 -6.956 1.494 14.045 123 1H5* G 12 1H5' G 1 -10.714 -1.687 10.003 124 2H5* G 12 2H5' G 1 -11.072 -1.232 8.324 125 H4* G 12 H4' G 1 -10.973 0.776 9.730 126 H3* G 12 H3' G 1 -8.487 0.393 8.089 127 1H2* G 12 H2' G 1 -8.168 2.760 8.712 128 2HO* G 12 HO2' G 1 -9.796 3.739 9.993 129 H1* G 12 H1' G 1 -8.770 2.213 11.300 130 H8 G 12 H8 G 1 -6.805 -0.758 10.128 131 H1 G 12 H1 G 1 -3.194 4.399 11.353 132 1H2 G 12 1H2 G 1 -4.474 6.191 11.586 133 2H2 G 12 2H2 G 1 -6.217 6.109 11.448 134 1H5* U 13 1H5' U 1 -9.915 4.180 7.479 135 2H5* U 13 2H5' U 1 -9.859 4.668 5.774 136 H4* U 13 H4' U 1 -8.530 6.218 7.191 137 H3* U 13 H3' U 1 -7.045 4.413 5.281 138 1H2* U 13 H2' U 1 -5.075 5.525 5.804 139 2HO* U 13 HO2' U 1 -5.131 7.476 7.022 140 H1* U 13 H1' U 1 -5.554 5.786 8.447 141 H3 U 13 H3 U 1 -2.037 2.940 8.191 142 H5 U 13 H5 U 1 -5.490 0.588 7.525 143 H6 U 13 H6 U 1 -6.754 2.573 7.411 144 1H5* U 14 1H5' U 1 -6.165 9.031 4.690 145 2H5* U 14 2H5' U 1 -6.038 9.202 2.925 146 H4* U 14 H4' U 1 -4.126 10.365 3.972 147 H3* U 14 H3' U 1 -3.398 7.741 2.631 148 1H2* U 14 H2' U 1 -1.114 8.486 2.957 149 2HO* U 14 HO2' U 1 -1.731 10.760 2.540 150 H1* U 14 H1' U 1 -1.525 9.204 5.513 151 H3 U 14 H3 U 1 0.712 5.219 5.715 152 H5 U 14 H5 U 1 -3.387 4.277 5.461 153 H6 U 14 H6 U 1 -3.790 6.588 4.918 154 1H5* C 15 1H5' C 1 -0.575 10.747 1.199 155 2H5* C 15 2H5' C 1 -0.440 10.498 -0.552 156 H4* C 15 H4' C 1 1.800 10.424 0.480 157 H3* C 15 H3' C 1 0.730 7.757 -0.491 158 1H2* C 15 H2' C 1 3.003 6.987 -0.154 159 2HO* C 15 HO2' C 1 4.593 8.507 0.472 160 H1* C 15 H1' C 1 3.268 8.151 2.255 161 1H4 C 15 1H4 C 1 -0.383 2.767 3.397 162 2H4 C 15 2H4 C 1 1.283 2.243 3.508 163 H5 C 15 H5 C 1 -1.023 5.047 2.680 164 H6 C 15 H6 C 1 -0.168 7.174 1.976 165 1H5* C 16 1H5' C 1 4.649 8.659 -2.122 166 2H5* C 16 2H5' C 1 4.755 8.055 -3.788 167 H4* C 16 H4' C 1 6.578 7.098 -2.391 168 H3* C 16 H3' C 1 4.394 5.166 -3.238 169 1H2* C 16 H2' C 1 5.816 3.452 -2.429 170 2HO* C 16 HO2' C 1 7.755 4.412 -3.347 171 H1* C 16 H1' C 1 6.644 4.890 -0.180 172 1H4 C 16 1H4 C 1 0.855 1.699 0.750 173 2H4 C 16 2H4 C 1 2.092 0.619 1.351 174 H5 C 16 H5 C 1 1.365 3.834 -0.349 175 H6 C 16 H6 C 1 3.161 5.302 -1.037 176 H3T C 16 HO3' C 1 5.986 4.728 -4.851 Start of MODEL 23 1 1H5* G 1 1H5' G 1 6.610 -9.075 2.826 2 2H5* G 1 2H5' G 1 6.862 -8.737 4.553 3 H4* G 1 H4' G 1 8.305 -7.288 3.164 4 H3* G 1 H3' G 1 6.004 -5.846 4.519 5 1H2* G 1 H2' G 1 7.197 -3.832 3.871 6 2HO* G 1 HO2' G 1 9.222 -5.638 2.999 7 H1* G 1 H1' G 1 7.636 -4.713 1.337 8 H8 G 1 H8 G 1 4.188 -5.926 2.341 9 H1 G 1 H1 G 1 4.409 0.315 0.867 10 1H2 G 1 1H2 G 1 7.864 -0.118 0.937 11 2H2 G 1 2H2 G 1 6.524 0.981 0.699 12 H5T G 1 H5' G 1 4.769 -7.728 2.923 13 1H5* G 2 1H5' G 2 9.940 -4.115 5.383 14 2H5* G 2 2H5' G 2 9.986 -3.631 7.088 15 H4* G 2 H4' G 2 10.744 -1.786 5.648 16 H3* G 2 H3' G 2 8.048 -1.329 6.928 17 1H2* G 2 H2' G 2 8.421 0.974 6.244 18 2HO* G 2 HO2' G 2 10.377 1.461 5.140 19 H1* G 2 H1' G 2 9.019 0.278 3.746 20 H8 G 2 H8 G 2 6.637 -2.370 4.866 21 H1 G 2 H1 G 2 3.763 3.132 3.225 22 1H2 G 2 1H2 G 2 6.995 4.437 3.230 23 2H2 G 2 2H2 G 2 5.289 4.736 2.985 24 1H5* A 3 1H5' A 3 10.624 1.924 7.683 25 2H5* A 3 2H5' A 3 10.465 2.473 9.361 26 H4* A 3 H4' A 3 10.130 4.337 7.779 27 H3* A 3 H3' A 3 7.686 3.452 9.306 28 1H2* A 3 H2' A 3 6.654 5.499 8.488 29 2HO* A 3 HO2' A 3 9.275 6.041 7.456 30 H1* A 3 H1' A 3 7.563 5.103 5.893 31 H8 A 3 H8 A 3 6.926 1.673 7.159 32 1H6 A 3 1H6 A 3 0.918 2.624 5.986 33 2H6 A 3 2H6 A 3 2.123 1.438 6.438 34 H2 A 3 H2 A 3 3.084 6.523 5.547 35 1H5* G 4 1H5' G 4 7.909 7.564 9.597 36 2H5* G 4 2H5' G 4 7.759 8.089 11.286 37 H4* G 4 H4' G 4 6.090 9.235 9.898 38 H3* G 4 H3' G 4 4.917 6.990 11.512 39 1H2* G 4 H2' G 4 2.825 8.158 10.912 40 2HO* G 4 HO2' G 4 3.011 10.063 9.651 41 H1* G 4 H1' G 4 3.611 8.342 8.324 42 H8 G 4 H8 G 4 4.838 4.980 9.437 43 H1 G 4 H1 G 4 -1.478 5.165 8.334 44 1H2 G 4 1H2 G 4 -2.159 7.262 8.134 45 2H2 G 4 2H2 G 4 -1.052 8.611 8.264 46 1H5* U 5 1H5' U 5 2.740 10.388 12.166 47 2H5* U 5 2H5' U 5 2.325 10.624 13.874 48 H4* U 5 H4' U 5 0.281 10.502 12.463 49 H3* U 5 H3' U 5 0.840 8.224 14.363 50 1H2* U 5 H2' U 5 -1.238 7.321 13.846 51 2HO* U 5 HO2' U 5 -2.764 8.544 12.632 52 H1* U 5 H1' U 5 -1.165 7.860 11.204 53 H3 U 5 H3 U 5 -0.996 3.339 11.486 54 H5 U 5 H5 U 5 2.966 4.701 12.073 55 H6 U 5 H6 U 5 2.134 6.900 12.200 56 1H5* U 6 1H5' U 6 -3.380 10.296 14.985 57 2H5* U 6 2H5' U 6 -3.564 10.310 16.754 58 H4* U 6 H4' U 6 -5.663 9.476 15.748 59 H3* U 6 H3' U 6 -3.976 7.334 17.077 60 1H2* U 6 H2' U 6 -5.932 5.941 16.790 61 2HO* U 6 HO2' U 6 -7.830 6.890 15.913 62 H1* U 6 H1' U 6 -6.316 6.681 14.240 63 H3 U 6 H3 U 6 -4.469 2.491 14.119 64 H5 U 6 H5 U 6 -1.260 5.221 14.196 65 H6 U 6 H6 U 6 -2.859 6.941 14.728 66 1H5* C 7 1H5' C 7 -8.051 7.021 18.449 67 2H5* C 7 2H5' C 7 -8.024 6.755 20.202 68 H4* C 7 H4' C 7 -9.360 4.996 19.105 69 H3* C 7 H3' C 7 -6.682 4.100 20.211 70 1H2* C 7 H2' C 7 -7.517 1.857 19.824 71 2HO* C 7 HO2' C 7 -9.954 3.163 19.171 72 H1* C 7 H1' C 7 -8.465 2.399 17.366 73 1H4 C 7 1H4 C 7 -1.952 1.813 16.468 74 2H4 C 7 2H4 C 7 -2.603 0.198 16.295 75 H5 C 7 H5 C 7 -3.324 3.737 17.184 76 H6 C 7 H6 C 7 -5.534 4.421 17.820 77 1H5* C 8 1H5' C 8 -9.893 1.609 21.680 78 2H5* C 8 2H5' C 8 -9.571 1.165 23.368 79 H4* C 8 H4' C 8 -9.868 -0.870 21.972 80 H3* C 8 H3' C 8 -7.045 -0.329 22.955 81 1H2* C 8 H2' C 8 -6.514 -2.497 22.173 82 2HO* C 8 HO2' C 8 -9.330 -2.859 21.829 83 H1* C 8 H1' C 8 -8.082 -2.302 19.861 84 1H4 C 8 1H4 C 8 -1.967 0.263 19.106 85 2H4 C 8 2H4 C 8 -1.860 -1.388 18.541 86 H5 C 8 H5 C 8 -4.000 1.201 20.113 87 H6 C 8 H6 C 8 -6.287 0.708 20.730 88 H3T C 8 HO3' C 8 -9.139 -2.042 23.869 89 1H5* G 9 1H5' G 9 3.395 -10.691 16.694 90 2H5* G 9 2H5' G 9 2.946 -10.670 14.973 91 H4* G 9 H4' G 9 0.945 -10.988 16.389 92 H3* G 9 H3' G 9 1.132 -8.263 15.067 93 1H2* G 9 H2' G 9 -1.187 -8.035 15.754 94 2HO* G 9 HO2' G 9 -0.923 -10.747 16.589 95 H1* G 9 H1' G 9 -0.699 -8.941 18.270 96 H8 G 9 H8 G 9 2.318 -6.884 17.267 97 H1 G 9 H1 G 9 -2.820 -3.354 18.787 98 1H2 G 9 1H2 G 9 -4.531 -6.386 18.698 99 2H2 G 9 2H2 G 9 -4.615 -4.657 18.951 100 H5T G 9 H5' G 9 3.404 -8.408 16.625 101 1H5* G 10 1H5' G 1 -2.612 -10.393 14.236 102 2H5* G 10 2H5' G 1 -3.042 -10.137 12.535 103 H4* G 10 H4' G 1 -4.966 -9.676 13.989 104 H3* G 10 H3' G 1 -3.758 -7.230 12.698 105 1H2* G 10 H2' G 1 -5.803 -6.139 13.409 106 2HO* G 10 HO2' G 1 -6.559 -8.728 14.308 107 H1* G 10 H1' G 1 -5.595 -7.043 15.905 108 H8 G 10 H8 G 1 -2.051 -6.731 14.771 109 H1 G 10 H1 G 1 -4.711 -1.131 16.440 110 1H2 G 10 1H2 G 1 -7.699 -2.925 16.433 111 2H2 G 10 2H2 G 1 -6.910 -1.383 16.682 112 1H5* A 11 1H5' A 1 -7.911 -7.304 11.984 113 2H5* A 11 2H5' A 1 -8.257 -6.856 10.304 114 H4* A 11 H4' A 1 -9.513 -5.423 11.873 115 H3* A 11 H3' A 1 -7.296 -4.050 10.358 116 1H2* A 11 H2' A 1 -8.310 -1.981 11.156 117 2HO* A 11 HO2' A 1 -10.252 -2.169 12.406 118 H1* A 11 H1' A 1 -8.559 -2.942 13.752 119 H8 A 11 H8 A 1 -5.443 -4.521 12.501 120 1H6 A 11 1H6 A 1 -2.554 0.833 13.682 121 2H6 A 11 2H6 A 1 -2.341 -0.844 13.230 122 H2 A 11 H2 A 1 -6.969 1.478 14.109 123 1H5* G 12 1H5' G 1 -10.728 -1.758 10.026 124 2H5* G 12 2H5' G 1 -11.034 -1.308 8.336 125 H4* G 12 H4' G 1 -10.982 0.700 9.753 126 H3* G 12 H3' G 1 -8.467 0.329 8.155 127 1H2* G 12 H2' G 1 -8.167 2.697 8.788 128 2HO* G 12 HO2' G 1 -9.818 3.661 10.054 129 H1* G 12 H1' G 1 -8.792 2.139 11.365 130 H8 G 12 H8 G 1 -6.825 -0.837 10.214 131 H1 G 12 H1 G 1 -3.203 4.324 11.394 132 1H2 G 12 1H2 G 1 -4.480 6.119 11.615 133 2H2 G 12 2H2 G 1 -6.223 6.038 11.484 134 1H5* U 13 1H5' U 1 -9.891 4.107 7.540 135 2H5* U 13 2H5' U 1 -9.822 4.605 5.839 136 H4* U 13 H4' U 1 -8.519 6.154 7.279 137 H3* U 13 H3' U 1 -7.006 4.375 5.365 138 1H2* U 13 H2' U 1 -5.043 5.496 5.917 139 2HO* U 13 HO2' U 1 -6.738 7.383 7.203 140 H1* U 13 H1' U 1 -5.533 5.713 8.555 141 H3 U 13 H3 U 1 -2.019 2.864 8.229 142 H5 U 13 H5 U 1 -5.487 0.527 7.593 143 H6 U 13 H6 U 1 -6.744 2.516 7.501 144 1H5* U 14 1H5' U 1 -6.117 9.001 4.807 145 2H5* U 14 2H5' U 1 -6.032 9.176 3.039 146 H4* U 14 H4' U 1 -4.099 10.339 4.039 147 H3* U 14 H3' U 1 -3.421 7.722 2.666 148 1H2* U 14 H2' U 1 -1.124 8.404 2.954 149 2HO* U 14 HO2' U 1 -2.243 10.852 3.875 150 H1* U 14 H1' U 1 -1.454 9.151 5.510 151 H3 U 14 H3 U 1 0.751 5.135 5.576 152 H5 U 14 H5 U 1 -3.368 4.249 5.548 153 H6 U 14 H6 U 1 -3.768 6.571 5.045 154 1H5* C 15 1H5' C 1 -0.673 10.757 1.302 155 2H5* C 15 2H5' C 1 -0.519 10.593 -0.458 156 H4* C 15 H4' C 1 1.718 10.525 0.578 157 H3* C 15 H3' C 1 0.719 7.871 -0.498 158 1H2* C 15 H2' C 1 3.012 7.148 -0.184 159 2HO* C 15 HO2' C 1 4.558 8.684 0.506 160 H1* C 15 H1' C 1 3.238 8.232 2.269 161 1H4 C 15 1H4 C 1 -0.263 2.722 3.254 162 2H4 C 15 2H4 C 1 1.417 2.246 3.378 163 H5 C 15 H5 C 1 -0.964 4.989 2.568 164 H6 C 15 H6 C 1 -0.168 7.158 1.918 165 1H5* C 16 1H5' C 1 4.618 8.933 -2.084 166 2H5* C 16 2H5' C 1 4.745 8.388 -3.768 167 H4* C 16 H4' C 1 6.588 7.432 -2.397 168 H3* C 16 H3' C 1 4.457 5.471 -3.310 169 1H2* C 16 H2' C 1 5.925 3.771 -2.552 170 2HO* C 16 HO2' C 1 7.837 4.812 -3.437 171 H1* C 16 H1' C 1 6.714 5.165 -0.259 172 1H4 C 16 1H4 C 1 1.023 1.780 0.585 173 2H4 C 16 2H4 C 1 2.292 0.724 1.162 174 H5 C 16 H5 C 1 1.468 3.955 -0.461 175 H6 C 16 H6 C 1 3.218 5.493 -1.113 176 H3T C 16 HO3' C 1 6.062 5.126 -4.933 Start of MODEL 24 1 1H5* G 1 1H5' G 1 6.399 -8.969 1.875 2 2H5* G 1 2H5' G 1 6.873 -8.782 3.579 3 H4* G 1 H4' G 1 8.217 -7.283 2.151 4 H3* G 1 H3' G 1 6.144 -5.880 3.868 5 1H2* G 1 H2' G 1 7.301 -3.845 3.223 6 2HO* G 1 HO2' G 1 9.164 -5.624 1.999 7 H1* G 1 H1' G 1 7.436 -4.546 0.601 8 H8 G 1 H8 G 1 4.083 -5.776 1.864 9 H1 G 1 H1 G 1 4.321 0.543 0.766 10 1H2 G 1 1H2 G 1 7.757 0.040 0.517 11 2H2 G 1 2H2 G 1 6.430 1.178 0.465 12 H5T G 1 H5' G 1 4.603 -8.765 3.294 13 1H5* G 2 1H5' G 2 10.150 -4.169 4.325 14 2H5* G 2 2H5' G 2 10.430 -3.927 6.058 15 H4* G 2 H4' G 2 10.982 -1.876 4.828 16 H3* G 2 H3' G 2 8.493 -1.735 6.517 17 1H2* G 2 H2' G 2 8.570 0.632 6.158 18 2HO* G 2 HO2' G 2 10.875 0.809 6.312 19 H1* G 2 H1' G 2 9.053 0.413 3.514 20 H8 G 2 H8 G 2 6.809 -2.451 4.385 21 H1 G 2 H1 G 2 3.763 3.104 3.314 22 1H2 G 2 1H2 G 2 6.959 4.484 3.378 23 2H2 G 2 2H2 G 2 5.243 4.759 3.182 24 1H5* A 3 1H5' A 3 9.362 1.765 10.026 25 2H5* A 3 2H5' A 3 8.045 1.336 8.915 26 H4* A 3 H4' A 3 10.073 3.576 8.476 27 H3* A 3 H3' A 3 7.279 3.376 9.536 28 1H2* A 3 H2' A 3 6.649 5.429 8.496 29 2HO* A 3 HO2' A 3 8.295 6.624 7.349 30 H1* A 3 H1' A 3 7.753 4.790 6.043 31 H8 A 3 H8 A 3 6.923 1.392 7.039 32 1H6 A 3 1H6 A 3 0.970 2.603 5.855 33 2H6 A 3 2H6 A 3 2.136 1.357 6.241 34 H2 A 3 H2 A 3 3.234 6.473 5.782 35 1H5* G 4 1H5' G 4 7.847 7.383 9.673 36 2H5* G 4 2H5' G 4 7.627 7.979 11.333 37 H4* G 4 H4' G 4 6.085 9.141 9.813 38 H3* G 4 H3' G 4 4.781 7.009 11.465 39 1H2* G 4 H2' G 4 2.736 8.157 10.746 40 2HO* G 4 HO2' G 4 4.514 10.003 9.526 41 H1* G 4 H1' G 4 3.609 8.215 8.179 42 H8 G 4 H8 G 4 4.767 4.885 9.435 43 H1 G 4 H1 G 4 -1.533 5.110 8.287 44 1H2 G 4 1H2 G 4 -2.194 7.210 8.038 45 2H2 G 4 2H2 G 4 -1.072 8.550 8.134 46 1H5* U 5 1H5' U 5 2.597 10.401 11.923 47 2H5* U 5 2H5' U 5 2.152 10.712 13.613 48 H4* U 5 H4' U 5 0.133 10.507 12.184 49 H3* U 5 H3' U 5 0.688 8.311 14.182 50 1H2* U 5 H2' U 5 -1.370 7.355 13.664 51 2HO* U 5 HO2' U 5 -1.908 9.785 12.288 52 H1* U 5 H1' U 5 -1.258 7.784 11.009 53 H3 U 5 H3 U 5 -1.012 3.286 11.506 54 H5 U 5 H5 U 5 2.921 4.750 12.058 55 H6 U 5 H6 U 5 2.046 6.935 12.074 56 1H5* U 6 1H5' U 6 -3.589 10.309 14.680 57 2H5* U 6 2H5' U 6 -3.772 10.403 16.447 58 H4* U 6 H4' U 6 -5.848 9.476 15.486 59 H3* U 6 H3' U 6 -4.113 7.447 16.924 60 1H2* U 6 H2' U 6 -6.010 5.972 16.695 61 2HO* U 6 HO2' U 6 -7.346 8.276 15.695 62 H1* U 6 H1' U 6 -6.432 6.587 14.118 63 H3 U 6 H3 U 6 -4.463 2.448 14.203 64 H5 U 6 H5 U 6 -1.337 5.273 14.105 65 H6 U 6 H6 U 6 -2.985 6.973 14.550 66 1H5* C 7 1H5' C 7 -8.198 7.080 18.313 67 2H5* C 7 2H5' C 7 -8.157 6.893 20.076 68 H4* C 7 H4' C 7 -9.440 5.041 19.068 69 H3* C 7 H3' C 7 -6.724 4.270 20.176 70 1H2* C 7 H2' C 7 -7.528 1.996 19.906 71 2HO* C 7 HO2' C 7 -9.681 1.677 19.202 72 H1* C 7 H1' C 7 -8.511 2.417 17.437 73 1H4 C 7 1H4 C 7 -1.992 1.876 16.521 74 2H4 C 7 2H4 C 7 -2.627 0.249 16.407 75 H5 C 7 H5 C 7 -3.382 3.810 17.170 76 H6 C 7 H6 C 7 -5.599 4.495 17.787 77 1H5* C 8 1H5' C 8 -9.936 1.838 21.790 78 2H5* C 8 2H5' C 8 -9.592 1.437 23.484 79 H4* C 8 H4' C 8 -9.943 -0.631 22.148 80 H3* C 8 H3' C 8 -7.097 -0.114 23.074 81 1H2* C 8 H2' C 8 -6.619 -2.317 22.350 82 2HO* C 8 HO2' C 8 -9.453 -2.611 22.116 83 H1* C 8 H1' C 8 -8.201 -2.147 20.048 84 1H4 C 8 1H4 C 8 -2.055 0.315 19.193 85 2H4 C 8 2H4 C 8 -1.984 -1.340 18.635 86 H5 C 8 H5 C 8 -4.057 1.295 20.219 87 H6 C 8 H6 C 8 -6.344 0.847 20.867 88 H3T C 8 HO3' C 8 -8.741 -0.323 24.693 89 1H5* G 9 1H5' G 9 3.198 -10.785 17.294 90 2H5* G 9 2H5' G 9 2.827 -10.818 15.554 91 H4* G 9 H4' G 9 0.749 -10.997 16.888 92 H3* G 9 H3' G 9 1.101 -8.329 15.485 93 1H2* G 9 H2' G 9 -1.249 -8.026 16.045 94 2HO* G 9 HO2' G 9 -2.343 -9.752 17.080 95 H1* G 9 H1' G 9 -0.896 -8.860 18.611 96 H8 G 9 H8 G 9 2.193 -6.882 17.632 97 H1 G 9 H1 G 9 -2.920 -3.238 18.957 98 1H2 G 9 1H2 G 9 -4.675 -6.245 18.910 99 2H2 G 9 2H2 G 9 -4.737 -4.509 19.117 100 H5T G 9 H5' G 9 3.293 -8.505 17.133 101 1H5* G 10 1H5' G 1 -2.638 -10.414 14.545 102 2H5* G 10 2H5' G 1 -3.014 -10.180 12.828 103 H4* G 10 H4' G 1 -4.972 -9.651 14.223 104 H3* G 10 H3' G 1 -3.683 -7.244 12.935 105 1H2* G 10 H2' G 1 -5.760 -6.144 13.558 106 2HO* G 10 HO2' G 1 -7.351 -7.394 14.647 107 H1* G 10 H1' G 1 -5.618 -7.003 16.073 108 H8 G 10 H8 G 1 -2.048 -6.710 15.006 109 H1 G 10 H1 G 1 -4.733 -1.084 16.543 110 1H2 G 10 1H2 G 1 -7.720 -2.878 16.520 111 2H2 G 10 2H2 G 1 -6.934 -1.333 16.758 112 1H5* A 11 1H5' A 1 -7.820 -7.379 12.092 113 2H5* A 11 2H5' A 1 -8.131 -6.943 10.402 114 H4* A 11 H4' A 1 -9.464 -5.550 11.944 115 H3* A 11 H3' A 1 -7.270 -4.124 10.447 116 1H2* A 11 H2' A 1 -8.329 -2.072 11.220 117 2HO* A 11 HO2' A 1 -10.335 -3.854 12.234 118 H1* A 11 H1' A 1 -8.596 -3.011 13.821 119 H8 A 11 H8 A 1 -5.432 -4.540 12.624 120 1H6 A 11 1H6 A 1 -2.656 0.870 13.809 121 2H6 A 11 2H6 A 1 -2.409 -0.807 13.373 122 H2 A 11 H2 A 1 -7.088 1.441 14.166 123 1H5* G 12 1H5' G 1 -10.735 -1.907 10.050 124 2H5* G 12 2H5' G 1 -11.031 -1.472 8.354 125 H4* G 12 H4' G 1 -11.019 0.545 9.762 126 H3* G 12 H3' G 1 -8.487 0.201 8.186 127 1H2* G 12 H2' G 1 -8.218 2.568 8.814 128 2HO* G 12 HO2' G 1 -9.891 3.528 10.053 129 H1* G 12 H1' G 1 -8.870 2.021 11.387 130 H8 G 12 H8 G 1 -6.841 -0.932 10.289 131 H1 G 12 H1 G 1 -3.317 4.305 11.434 132 1H2 G 12 1H2 G 1 -6.366 5.969 11.469 133 2H2 G 12 2H2 G 1 -4.626 6.082 11.615 134 1H5* U 13 1H5' U 1 -9.914 3.972 7.541 135 2H5* U 13 2H5' U 1 -9.826 4.465 5.839 136 H4* U 13 H4' U 1 -8.528 6.013 7.292 137 H3* U 13 H3' U 1 -7.005 4.229 5.391 138 1H2* U 13 H2' U 1 -5.039 5.345 5.968 139 2HO* U 13 HO2' U 1 -5.967 7.471 5.940 140 H1* U 13 H1' U 1 -5.552 5.539 8.601 141 H3 U 13 H3 U 1 -2.064 2.668 8.267 142 H5 U 13 H5 U 1 -5.554 0.358 7.641 143 H6 U 13 H6 U 1 -6.790 2.357 7.540 144 1H5* U 14 1H5' U 1 -6.133 8.917 4.760 145 2H5* U 14 2H5' U 1 -5.987 9.026 2.992 146 H4* U 14 H4' U 1 -4.087 10.223 4.070 147 H3* U 14 H3' U 1 -3.382 7.623 2.680 148 1H2* U 14 H2' U 1 -1.094 8.337 3.005 149 2HO* U 14 HO2' U 1 -0.712 10.396 3.938 150 H1* U 14 H1' U 1 -1.469 9.021 5.567 151 H3 U 14 H3 U 1 0.787 5.015 5.506 152 H5 U 14 H5 U 1 -3.334 4.119 5.607 153 H6 U 14 H6 U 1 -3.756 6.441 5.130 154 1H5* C 15 1H5' C 1 -0.737 10.817 1.448 155 2H5* C 15 2H5' C 1 -0.457 10.690 -0.298 156 H4* C 15 H4' C 1 1.698 10.738 0.931 157 H3* C 15 H3' C 1 0.961 8.093 -0.356 158 1H2* C 15 H2' C 1 3.281 7.512 0.098 159 2HO* C 15 HO2' C 1 3.982 9.755 -0.349 160 H1* C 15 H1' C 1 3.219 8.424 2.627 161 1H4 C 15 1H4 C 1 -0.066 2.726 3.079 162 2H4 C 15 2H4 C 1 1.617 2.321 3.332 163 H5 C 15 H5 C 1 -0.815 4.975 2.404 164 H6 C 15 H6 C 1 -0.076 7.206 1.904 165 1H5* C 16 1H5' C 1 4.939 9.296 -1.738 166 2H5* C 16 2H5' C 1 5.082 8.810 -3.438 167 H4* C 16 H4' C 1 6.878 7.766 -2.067 168 H3* C 16 H3' C 1 4.723 5.891 -3.094 169 1H2* C 16 H2' C 1 6.128 4.131 -2.372 170 2HO* C 16 HO2' C 1 8.287 4.627 -1.667 171 H1* C 16 H1' C 1 6.900 5.411 -0.012 172 1H4 C 16 1H4 C 1 1.120 2.090 0.439 173 2H4 C 16 2H4 C 1 2.351 0.967 0.967 174 H5 C 16 H5 C 1 1.634 4.335 -0.409 175 H6 C 16 H6 C 1 3.430 5.880 -0.897 176 H3T C 16 HO3' C 1 5.957 7.082 -4.655 Start of MODEL 25 1 1H5* G 1 1H5' G 1 6.505 -8.940 1.799 2 2H5* G 1 2H5' G 1 6.948 -8.762 3.512 3 H4* G 1 H4' G 1 8.309 -7.246 2.119 4 H3* G 1 H3' G 1 6.198 -5.865 3.806 5 1H2* G 1 H2' G 1 7.355 -3.821 3.195 6 2HO* G 1 HO2' G 1 9.245 -5.581 1.986 7 H1* G 1 H1' G 1 7.528 -4.497 0.571 8 H8 G 1 H8 G 1 4.175 -5.777 1.778 9 H1 G 1 H1 G 1 4.351 0.556 0.760 10 1H2 G 1 1H2 G 1 7.794 0.100 0.543 11 2H2 G 1 2H2 G 1 6.453 1.222 0.492 12 H5T G 1 H5' G 1 4.683 -8.755 3.186 13 1H5* G 2 1H5' G 2 10.188 -4.157 4.338 14 2H5* G 2 2H5' G 2 10.444 -3.911 6.074 15 H4* G 2 H4' G 2 11.017 -1.870 4.836 16 H3* G 2 H3' G 2 8.527 -1.716 6.520 17 1H2* G 2 H2' G 2 8.588 0.646 6.150 18 2HO* G 2 HO2' G 2 11.116 0.114 4.941 19 H1* G 2 H1' G 2 9.081 0.426 3.509 20 H8 G 2 H8 G 2 6.848 -2.448 4.374 21 H1 G 2 H1 G 2 3.781 3.093 3.293 22 1H2 G 2 1H2 G 2 6.973 4.487 3.369 23 2H2 G 2 2H2 G 2 5.256 4.755 3.166 24 1H5* A 3 1H5' A 3 9.393 1.818 10.000 25 2H5* A 3 2H5' A 3 8.076 1.376 8.895 26 H4* A 3 H4' A 3 10.102 3.612 8.428 27 H3* A 3 H3' A 3 7.316 3.426 9.510 28 1H2* A 3 H2' A 3 6.668 5.456 8.441 29 2HO* A 3 HO2' A 3 9.452 5.645 7.749 30 H1* A 3 H1' A 3 7.763 4.800 5.993 31 H8 A 3 H8 A 3 6.949 1.410 7.032 32 1H6 A 3 1H6 A 3 0.987 2.592 5.850 33 2H6 A 3 2H6 A 3 2.157 1.353 6.246 34 H2 A 3 H2 A 3 3.242 6.466 5.729 35 1H5* G 4 1H5' G 4 7.837 7.437 9.589 36 2H5* G 4 2H5' G 4 7.629 8.048 11.246 37 H4* G 4 H4' G 4 6.035 9.166 9.742 38 H3* G 4 H3' G 4 4.791 7.009 11.414 39 1H2* G 4 H2' G 4 2.725 8.153 10.714 40 2HO* G 4 HO2' G 4 2.953 9.993 9.359 41 H1* G 4 H1' G 4 3.574 8.192 8.140 42 H8 G 4 H8 G 4 4.789 4.885 9.392 43 H1 G 4 H1 G 4 -1.530 5.024 8.334 44 1H2 G 4 1H2 G 4 -1.120 8.469 8.172 45 2H2 G 4 2H2 G 4 -2.223 7.113 8.092 46 1H5* U 5 1H5' U 5 2.590 10.394 11.878 47 2H5* U 5 2H5' U 5 2.156 10.715 13.569 48 H4* U 5 H4' U 5 0.127 10.502 12.154 49 H3* U 5 H3' U 5 0.698 8.326 14.168 50 1H2* U 5 H2' U 5 -1.354 7.351 13.669 51 2HO* U 5 HO2' U 5 -1.919 9.766 12.277 52 H1* U 5 H1' U 5 -1.265 7.759 11.010 53 H3 U 5 H3 U 5 -0.992 3.268 11.535 54 H5 U 5 H5 U 5 2.938 4.754 12.045 55 H6 U 5 H6 U 5 2.051 6.934 12.054 56 1H5* U 6 1H5' U 6 -3.594 10.302 14.668 57 2H5* U 6 2H5' U 6 -3.770 10.406 16.435 58 H4* U 6 H4' U 6 -5.843 9.448 15.492 59 H3* U 6 H3' U 6 -4.075 7.442 16.925 60 1H2* U 6 H2' U 6 -5.975 5.964 16.725 61 2HO* U 6 HO2' U 6 -7.915 6.789 15.821 62 H1* U 6 H1' U 6 -6.408 6.555 14.144 63 H3 U 6 H3 U 6 -4.424 2.427 14.242 64 H5 U 6 H5 U 6 -1.307 5.262 14.124 65 H6 U 6 H6 U 6 -2.960 6.958 14.568 66 1H5* C 7 1H5' C 7 -8.163 7.111 18.335 67 2H5* C 7 2H5' C 7 -8.123 6.907 20.096 68 H4* C 7 H4' C 7 -9.430 5.080 19.060 69 H3* C 7 H3' C 7 -6.735 4.269 20.191 70 1H2* C 7 H2' C 7 -7.565 2.006 19.899 71 2HO* C 7 HO2' C 7 -9.713 1.717 19.173 72 H1* C 7 H1' C 7 -8.513 2.455 17.420 73 1H4 C 7 1H4 C 7 -1.992 1.843 16.570 74 2H4 C 7 2H4 C 7 -2.645 0.226 16.431 75 H5 C 7 H5 C 7 -3.364 3.787 17.228 76 H6 C 7 H6 C 7 -5.578 4.493 17.828 77 1H5* C 8 1H5' C 8 -9.981 1.851 21.756 78 2H5* C 8 2H5' C 8 -9.655 1.438 23.451 79 H4* C 8 H4' C 8 -10.002 -0.621 22.095 80 H3* C 8 H3' C 8 -7.166 -0.122 23.063 81 1H2* C 8 H2' C 8 -6.696 -2.326 22.327 82 2HO* C 8 HO2' C 8 -8.462 -3.693 21.683 83 H1* C 8 H1' C 8 -8.251 -2.131 20.009 84 1H4 C 8 1H4 C 8 -2.080 0.288 19.223 85 2H4 C 8 2H4 C 8 -2.012 -1.369 18.669 86 H5 C 8 H5 C 8 -4.086 1.280 20.228 87 H6 C 8 H6 C 8 -6.383 0.847 20.851 88 H3T C 8 HO3' C 8 -9.299 -1.767 24.009 89 1H5* G 9 1H5' G 9 3.177 -10.776 17.334 90 2H5* G 9 2H5' G 9 2.797 -10.813 15.596 91 H4* G 9 H4' G 9 0.735 -11.032 16.942 92 H3* G 9 H3' G 9 1.037 -8.367 15.523 93 1H2* G 9 H2' G 9 -1.301 -8.060 16.107 94 2HO* G 9 HO2' G 9 -1.135 -10.743 17.052 95 H1* G 9 H1' G 9 -0.937 -8.884 18.672 96 H8 G 9 H8 G 9 2.154 -6.919 17.688 97 H1 G 9 H1 G 9 -2.952 -3.253 18.976 98 1H2 G 9 1H2 G 9 -4.717 -6.254 18.935 99 2H2 G 9 2H2 G 9 -4.774 -4.516 19.133 100 H5T G 9 H5' G 9 3.240 -8.498 17.178 101 1H5* G 10 1H5' G 1 -2.723 -10.443 14.626 102 2H5* G 10 2H5' G 1 -3.091 -10.227 12.905 103 H4* G 10 H4' G 1 -5.048 -9.658 14.281 104 H3* G 10 H3' G 1 -3.723 -7.283 12.973 105 1H2* G 10 H2' G 1 -5.785 -6.146 13.573 106 2HO* G 10 HO2' G 1 -7.404 -7.361 14.659 107 H1* G 10 H1' G 1 -5.676 -6.987 16.098 108 H8 G 10 H8 G 1 -2.095 -6.744 15.061 109 H1 G 10 H1 G 1 -4.731 -1.080 16.545 110 1H2 G 10 1H2 G 1 -7.736 -2.844 16.508 111 2H2 G 10 2H2 G 1 -6.936 -1.306 16.745 112 1H5* A 11 1H5' A 1 -7.863 -7.378 12.108 113 2H5* A 11 2H5' A 1 -8.157 -6.950 10.412 114 H4* A 11 H4' A 1 -9.479 -5.518 11.933 115 H3* A 11 H3' A 1 -7.242 -4.133 10.459 116 1H2* A 11 H2' A 1 -8.315 -2.071 11.199 117 2HO* A 11 HO2' A 1 -10.284 -2.275 12.400 118 H1* A 11 H1' A 1 -8.611 -2.999 13.802 119 H8 A 11 H8 A 1 -5.440 -4.541 12.642 120 1H6 A 11 1H6 A 1 -2.660 0.867 13.836 121 2H6 A 11 2H6 A 1 -2.413 -0.811 13.405 122 H2 A 11 H2 A 1 -7.094 1.449 14.154 123 1H5* G 12 1H5' G 1 -10.715 -1.927 9.995 124 2H5* G 12 2H5' G 1 -10.982 -1.491 8.295 125 H4* G 12 H4' G 1 -11.016 0.521 9.713 126 H3* G 12 H3' G 1 -8.459 0.208 8.171 127 1H2* G 12 H2' G 1 -8.223 2.577 8.813 128 2HO* G 12 HO2' G 1 -9.922 3.511 10.037 129 H1* G 12 H1' G 1 -8.896 2.011 11.374 130 H8 G 12 H8 G 1 -6.834 -0.921 10.277 131 H1 G 12 H1 G 1 -3.361 4.335 11.487 132 1H2 G 12 1H2 G 1 -4.687 6.101 11.671 133 2H2 G 12 2H2 G 1 -6.424 5.974 11.509 134 1H5* U 13 1H5' U 1 -9.910 3.962 7.522 135 2H5* U 13 2H5' U 1 -9.812 4.462 5.823 136 H4* U 13 H4' U 1 -8.547 6.019 7.290 137 H3* U 13 H3' U 1 -6.991 4.259 5.394 138 1H2* U 13 H2' U 1 -5.036 5.373 5.993 139 2HO* U 13 HO2' U 1 -6.754 7.250 7.264 140 H1* U 13 H1' U 1 -5.569 5.567 8.622 141 H3 U 13 H3 U 1 -2.062 2.716 8.310 142 H5 U 13 H5 U 1 -5.534 0.388 7.658 143 H6 U 13 H6 U 1 -6.781 2.380 7.551 144 1H5* U 14 1H5' U 1 -6.071 8.884 4.935 145 2H5* U 14 2H5' U 1 -5.980 9.096 3.171 146 H4* U 14 H4' U 1 -4.045 10.237 4.210 147 H3* U 14 H3' U 1 -3.374 7.659 2.763 148 1H2* U 14 H2' U 1 -1.078 8.346 3.063 149 2HO* U 14 HO2' U 1 -0.661 10.390 4.019 150 H1* U 14 H1' U 1 -1.405 8.998 5.642 151 H3 U 14 H3 U 1 0.799 4.971 5.526 152 H5 U 14 H5 U 1 -3.332 4.122 5.640 153 H6 U 14 H6 U 1 -3.727 6.452 5.181 154 1H5* C 15 1H5' C 1 -0.692 10.818 1.523 155 2H5* C 15 2H5' C 1 -0.477 10.712 -0.234 156 H4* C 15 H4' C 1 1.724 10.685 0.901 157 H3* C 15 H3' C 1 0.859 8.066 -0.359 158 1H2* C 15 H2' C 1 3.161 7.399 0.013 159 2HO* C 15 HO2' C 1 4.626 8.939 0.851 160 H1* C 15 H1' C 1 3.252 8.342 2.528 161 1H4 C 15 1H4 C 1 -0.112 2.695 3.107 162 2H4 C 15 2H4 C 1 1.575 2.266 3.291 163 H5 C 15 H5 C 1 -0.853 4.966 2.480 164 H6 C 15 H6 C 1 -0.101 7.184 1.959 165 1H5* C 16 1H5' C 1 4.786 9.306 -1.723 166 2H5* C 16 2H5' C 1 4.987 8.863 -3.430 167 H4* C 16 H4' C 1 6.798 7.859 -2.055 168 H3* C 16 H3' C 1 4.730 5.919 -3.143 169 1H2* C 16 H2' C 1 6.195 4.199 -2.425 170 2HO* C 16 HO2' C 1 8.122 5.313 -3.176 171 H1* C 16 H1' C 1 6.871 5.461 -0.029 172 1H4 C 16 1H4 C 1 1.156 2.033 0.374 173 2H4 C 16 2H4 C 1 2.398 0.953 0.964 174 H5 C 16 H5 C 1 1.641 4.257 -0.539 175 H6 C 16 H6 C 1 3.412 5.828 -1.031 176 H3T C 16 HO3' C 1 6.396 5.681 -4.722 Start of MODEL 26 1 1H5* G 1 1H5' G 1 6.532 -9.045 2.798 2 2H5* G 1 2H5' G 1 6.819 -8.732 4.525 3 H4* G 1 H4' G 1 8.265 -7.280 3.149 4 H3* G 1 H3' G 1 5.977 -5.799 4.486 5 1H2* G 1 H2' G 1 7.227 -3.817 3.843 6 2HO* G 1 HO2' G 1 9.250 -4.109 2.802 7 H1* G 1 H1' G 1 7.619 -4.711 1.307 8 H8 G 1 H8 G 1 4.173 -5.898 2.347 9 H1 G 1 H1 G 1 4.422 0.340 0.856 10 1H2 G 1 1H2 G 1 7.875 -0.118 0.899 11 2H2 G 1 2H2 G 1 6.541 0.990 0.669 12 H5T G 1 H5' G 1 4.965 -7.424 4.528 13 1H5* G 2 1H5' G 2 9.910 -4.128 5.356 14 2H5* G 2 2H5' G 2 9.963 -3.639 7.060 15 H4* G 2 H4' G 2 10.740 -1.807 5.614 16 H3* G 2 H3' G 2 8.051 -1.321 6.897 17 1H2* G 2 H2' G 2 8.440 0.977 6.208 18 2HO* G 2 HO2' G 2 10.397 1.446 5.097 19 H1* G 2 H1' G 2 9.022 0.271 3.708 20 H8 G 2 H8 G 2 6.632 -2.366 4.835 21 H1 G 2 H1 G 2 3.771 3.155 3.235 22 1H2 G 2 1H2 G 2 7.006 4.448 3.221 23 2H2 G 2 2H2 G 2 5.299 4.754 2.991 24 1H5* A 3 1H5' A 3 10.626 1.919 7.645 25 2H5* A 3 2H5' A 3 10.481 2.459 9.327 26 H4* A 3 H4' A 3 10.131 4.334 7.764 27 H3* A 3 H3' A 3 7.694 3.429 9.292 28 1H2* A 3 H2' A 3 6.653 5.479 8.493 29 2HO* A 3 HO2' A 3 9.268 6.037 7.455 30 H1* A 3 H1' A 3 7.551 5.103 5.892 31 H8 A 3 H8 A 3 6.941 1.659 7.130 32 1H6 A 3 1H6 A 3 0.917 2.591 6.018 33 2H6 A 3 2H6 A 3 2.132 1.406 6.448 34 H2 A 3 H2 A 3 3.059 6.505 5.599 35 1H5* G 4 1H5' G 4 7.921 7.541 9.617 36 2H5* G 4 2H5' G 4 7.769 8.054 11.309 37 H4* G 4 H4' G 4 6.105 9.212 9.925 38 H3* G 4 H3' G 4 4.922 6.962 11.524 39 1H2* G 4 H2' G 4 2.836 8.142 10.926 40 2HO* G 4 HO2' G 4 3.034 10.050 9.671 41 H1* G 4 H1' G 4 3.624 8.329 8.341 42 H8 G 4 H8 G 4 4.844 4.964 9.467 43 H1 G 4 H1 G 4 -1.463 5.154 8.314 44 1H2 G 4 1H2 G 4 -1.032 8.600 8.239 45 2H2 G 4 2H2 G 4 -2.139 7.251 8.107 46 1H5* U 5 1H5' U 5 2.760 10.369 12.188 47 2H5* U 5 2H5' U 5 2.334 10.597 13.895 48 H4* U 5 H4' U 5 0.303 10.501 12.468 49 H3* U 5 H3' U 5 0.824 8.205 14.358 50 1H2* U 5 H2' U 5 -1.262 7.323 13.813 51 2HO* U 5 HO2' U 5 -1.748 9.825 12.551 52 H1* U 5 H1' U 5 -1.155 7.868 11.178 53 H3 U 5 H3 U 5 -1.006 3.343 11.464 54 H5 U 5 H5 U 5 2.954 4.689 12.098 55 H6 U 5 H6 U 5 2.129 6.892 12.211 56 1H5* U 6 1H5' U 6 -3.387 10.301 14.963 57 2H5* U 6 2H5' U 6 -3.575 10.318 16.731 58 H4* U 6 H4' U 6 -5.676 9.505 15.722 59 H3* U 6 H3' U 6 -4.013 7.353 17.063 60 1H2* U 6 H2' U 6 -5.960 5.956 16.761 61 2HO* U 6 HO2' U 6 -7.211 8.349 15.865 62 H1* U 6 H1' U 6 -6.346 6.704 14.214 63 H3 U 6 H3 U 6 -4.502 2.508 14.105 64 H5 U 6 H5 U 6 -1.292 5.235 14.165 65 H6 U 6 H6 U 6 -2.890 6.961 14.687 66 1H5* C 7 1H5' C 7 -8.088 7.019 18.420 67 2H5* C 7 2H5' C 7 -8.061 6.770 20.176 68 H4* C 7 H4' C 7 -9.379 4.988 19.101 69 H3* C 7 H3' C 7 -6.687 4.128 20.202 70 1H2* C 7 H2' C 7 -7.500 1.875 19.838 71 2HO* C 7 HO2' C 7 -9.956 3.149 19.189 72 H1* C 7 H1' C 7 -8.473 2.388 17.381 73 1H4 C 7 1H4 C 7 -1.962 1.837 16.444 74 2H4 C 7 2H4 C 7 -2.602 0.216 16.293 75 H5 C 7 H5 C 7 -3.344 3.760 17.145 76 H6 C 7 H6 C 7 -5.555 4.435 17.788 77 1H5* C 8 1H5' C 8 -9.880 1.630 21.713 78 2H5* C 8 2H5' C 8 -9.545 1.196 23.401 79 H4* C 8 H4' C 8 -9.840 -0.848 22.014 80 H3* C 8 H3' C 8 -7.015 -0.291 22.983 81 1H2* C 8 H2' C 8 -6.486 -2.464 22.207 82 2HO* C 8 HO2' C 8 -8.215 -3.877 21.558 83 H1* C 8 H1' C 8 -8.078 -2.283 19.908 84 1H4 C 8 1H4 C 8 -1.960 0.250 19.071 85 2H4 C 8 2H4 C 8 -1.865 -1.406 18.519 86 H5 C 8 H5 C 8 -3.979 1.205 20.091 87 H6 C 8 H6 C 8 -6.262 0.726 20.735 88 H3T C 8 HO3' C 8 -9.102 -2.005 23.909 89 1H5* G 9 1H5' G 9 3.317 -10.796 16.767 90 2H5* G 9 2H5' G 9 2.881 -10.798 15.042 91 H4* G 9 H4' G 9 0.856 -11.020 16.450 92 H3* G 9 H3' G 9 1.135 -8.322 15.087 93 1H2* G 9 H2' G 9 -1.193 -8.048 15.741 94 2HO* G 9 HO2' G 9 -2.236 -9.803 16.781 95 H1* G 9 H1' G 9 -0.738 -8.932 18.275 96 H8 G 9 H8 G 9 2.300 -6.910 17.244 97 H1 G 9 H1 G 9 -2.801 -3.334 18.783 98 1H2 G 9 1H2 G 9 -4.534 -6.354 18.723 99 2H2 G 9 2H2 G 9 -4.603 -4.624 18.967 100 H5T G 9 H5' G 9 3.388 -8.512 16.647 101 1H5* G 10 1H5' G 1 -2.626 -10.411 14.245 102 2H5* G 10 2H5' G 1 -3.059 -10.152 12.545 103 H4* G 10 H4' G 1 -4.974 -9.656 14.009 104 H3* G 10 H3' G 1 -3.738 -7.225 12.715 105 1H2* G 10 H2' G 1 -5.794 -6.139 13.422 106 2HO* G 10 HO2' G 1 -7.350 -7.410 14.538 107 H1* G 10 H1' G 1 -5.573 -7.041 15.919 108 H8 G 10 H8 G 1 -2.037 -6.718 14.764 109 H1 G 10 H1 G 1 -4.703 -1.125 16.450 110 1H2 G 10 1H2 G 1 -7.685 -2.929 16.463 111 2H2 G 10 2H2 G 1 -6.899 -1.385 16.706 112 1H5* A 11 1H5' A 1 -7.893 -7.308 12.005 113 2H5* A 11 2H5' A 1 -8.247 -6.856 10.327 114 H4* A 11 H4' A 1 -9.507 -5.437 11.908 115 H3* A 11 H3' A 1 -7.309 -4.050 10.380 116 1H2* A 11 H2' A 1 -8.322 -1.986 11.189 117 2HO* A 11 HO2' A 1 -10.255 -2.181 12.452 118 H1* A 11 H1' A 1 -8.550 -2.949 13.786 119 H8 A 11 H8 A 1 -5.439 -4.520 12.515 120 1H6 A 11 1H6 A 1 -2.556 0.841 13.674 121 2H6 A 11 2H6 A 1 -2.342 -0.837 13.223 122 H2 A 11 H2 A 1 -6.969 1.477 14.124 123 1H5* G 12 1H5' G 1 -10.728 -1.747 10.082 124 2H5* G 12 2H5' G 1 -11.052 -1.305 8.393 125 H4* G 12 H4' G 1 -10.970 0.711 9.795 126 H3* G 12 H3' G 1 -8.474 0.311 8.175 127 1H2* G 12 H2' G 1 -8.150 2.681 8.787 128 2HO* G 12 HO2' G 1 -9.781 3.670 10.057 129 H1* G 12 H1' G 1 -8.758 2.149 11.373 130 H8 G 12 H8 G 1 -6.819 -0.850 10.234 131 H1 G 12 H1 G 1 -3.155 4.294 11.355 132 1H2 G 12 1H2 G 1 -6.161 6.032 11.446 133 2H2 G 12 2H2 G 1 -4.416 6.100 11.569 134 1H5* U 13 1H5' U 1 -9.885 4.094 7.546 135 2H5* U 13 2H5' U 1 -9.831 4.578 5.841 136 H4* U 13 H4' U 1 -8.502 6.132 7.256 137 H3* U 13 H3' U 1 -7.025 4.329 5.338 138 1H2* U 13 H2' U 1 -5.051 5.442 5.854 139 2HO* U 13 HO2' U 1 -5.105 7.390 7.078 140 H1* U 13 H1' U 1 -5.515 5.694 8.499 141 H3 U 13 H3 U 1 -2.003 2.845 8.194 142 H5 U 13 H5 U 1 -5.474 0.498 7.605 143 H6 U 13 H6 U 1 -6.732 2.485 7.492 144 1H5* U 14 1H5' U 1 -6.146 8.950 4.749 145 2H5* U 14 2H5' U 1 -6.054 9.121 2.981 146 H4* U 14 H4' U 1 -4.121 10.287 3.990 147 H3* U 14 H3' U 1 -3.431 7.664 2.631 148 1H2* U 14 H2' U 1 -1.140 8.383 2.917 149 2HO* U 14 HO2' U 1 -0.749 10.460 3.808 150 H1* U 14 H1' U 1 -1.489 9.115 5.473 151 H3 U 14 H3 U 1 0.748 5.122 5.577 152 H5 U 14 H5 U 1 -3.362 4.197 5.490 153 H6 U 14 H6 U 1 -3.777 6.511 4.968 154 1H5* C 15 1H5' C 1 -0.745 10.761 1.286 155 2H5* C 15 2H5' C 1 -0.534 10.592 -0.467 156 H4* C 15 H4' C 1 1.669 10.601 0.653 157 H3* C 15 H3' C 1 0.801 7.922 -0.476 158 1H2* C 15 H2' C 1 3.124 7.296 -0.100 159 2HO* C 15 HO2' C 1 3.856 9.502 -0.681 160 H1* C 15 H1' C 1 3.199 8.330 2.385 161 1H4 C 15 1H4 C 1 -0.207 2.742 3.215 162 2H4 C 15 2H4 C 1 1.476 2.305 3.412 163 H5 C 15 H5 C 1 -0.928 4.986 2.486 164 H6 C 15 H6 C 1 -0.155 7.172 1.865 165 1H5* C 16 1H5' C 1 4.740 8.972 -2.086 166 2H5* C 16 2H5' C 1 4.803 8.403 -3.764 167 H4* C 16 H4' C 1 6.640 7.399 -2.416 168 H3* C 16 H3' C 1 4.423 5.506 -3.266 169 1H2* C 16 H2' C 1 5.843 3.767 -2.523 170 2HO* C 16 HO2' C 1 8.037 4.268 -1.943 171 H1* C 16 H1' C 1 6.740 5.163 -0.268 172 1H4 C 16 1H4 C 1 1.008 1.861 0.651 173 2H4 C 16 2H4 C 1 2.271 0.761 1.154 174 H5 C 16 H5 C 1 1.468 4.065 -0.328 175 H6 C 16 H6 C 1 3.231 5.588 -0.982 176 H3T C 16 HO3' C 1 5.598 6.611 -4.933 Start of MODEL 27 1 1H5* G 1 1H5' G 1 6.575 -9.105 2.873 2 2H5* G 1 2H5' G 1 6.834 -8.774 4.601 3 H4* G 1 H4' G 1 8.242 -7.284 3.212 4 H3* G 1 H3' G 1 5.920 -5.886 4.578 5 1H2* G 1 H2' G 1 7.114 -3.861 3.946 6 2HO* G 1 HO2' G 1 9.145 -4.084 2.911 7 H1* G 1 H1' G 1 7.550 -4.736 1.406 8 H8 G 1 H8 G 1 4.099 -5.938 2.424 9 H1 G 1 H1 G 1 4.343 0.294 0.917 10 1H2 G 1 1H2 G 1 7.796 -0.155 0.978 11 2H2 G 1 2H2 G 1 6.461 0.949 0.738 12 H5T G 1 H5' G 1 4.714 -7.781 2.997 13 1H5* G 2 1H5' G 2 9.857 -4.165 5.448 14 2H5* G 2 2H5' G 2 9.907 -3.676 7.151 15 H4* G 2 H4' G 2 10.677 -1.842 5.701 16 H3* G 2 H3' G 2 7.990 -1.361 6.989 17 1H2* G 2 H2' G 2 8.376 0.937 6.298 18 2HO* G 2 HO2' G 2 10.333 1.412 5.193 19 H1* G 2 H1' G 2 8.967 0.231 3.799 20 H8 G 2 H8 G 2 6.561 -2.391 4.934 21 H1 G 2 H1 G 2 3.739 3.126 3.251 22 1H2 G 2 1H2 G 2 6.982 4.402 3.256 23 2H2 G 2 2H2 G 2 5.279 4.714 3.004 24 1H5* A 3 1H5' A 3 10.592 1.882 7.732 25 2H5* A 3 2H5' A 3 10.438 2.429 9.412 26 H4* A 3 H4' A 3 10.098 4.303 7.839 27 H3* A 3 H3' A 3 7.642 3.404 9.341 28 1H2* A 3 H2' A 3 6.640 5.477 8.537 29 2HO* A 3 HO2' A 3 7.993 6.887 7.287 30 H1* A 3 H1' A 3 7.559 5.077 5.945 31 H8 A 3 H8 A 3 6.884 1.652 7.207 32 1H6 A 3 1H6 A 3 0.895 2.652 5.989 33 2H6 A 3 2H6 A 3 2.087 1.458 6.453 34 H2 A 3 H2 A 3 3.096 6.535 5.561 35 1H5* G 4 1H5' G 4 7.915 7.510 9.661 36 2H5* G 4 2H5' G 4 7.751 8.030 11.351 37 H4* G 4 H4' G 4 6.129 9.208 9.938 38 H3* G 4 H3' G 4 4.904 6.999 11.554 39 1H2* G 4 H2' G 4 2.829 8.159 10.931 40 2HO* G 4 HO2' G 4 4.556 10.069 9.741 41 H1* G 4 H1' G 4 3.632 8.345 8.346 42 H8 G 4 H8 G 4 4.820 4.970 9.451 43 H1 G 4 H1 G 4 -1.496 5.221 8.359 44 1H2 G 4 1H2 G 4 -2.156 7.326 8.168 45 2H2 G 4 2H2 G 4 -1.035 8.664 8.301 46 1H5* U 5 1H5' U 5 2.735 10.396 12.189 47 2H5* U 5 2H5' U 5 2.319 10.635 13.897 48 H4* U 5 H4' U 5 0.276 10.500 12.488 49 H3* U 5 H3' U 5 0.847 8.223 14.387 50 1H2* U 5 H2' U 5 -1.231 7.315 13.873 51 2HO* U 5 HO2' U 5 -2.760 8.536 12.660 52 H1* U 5 H1' U 5 -1.161 7.861 11.231 53 H3 U 5 H3 U 5 -0.989 3.339 11.496 54 H5 U 5 H5 U 5 2.973 4.702 12.087 55 H6 U 5 H6 U 5 2.139 6.901 12.221 56 1H5* U 6 1H5' U 6 -3.364 10.299 15.007 57 2H5* U 6 2H5' U 6 -3.561 10.310 16.775 58 H4* U 6 H4' U 6 -5.653 9.493 15.749 59 H3* U 6 H3' U 6 -3.995 7.343 17.100 60 1H2* U 6 H2' U 6 -5.938 5.944 16.783 61 2HO* U 6 HO2' U 6 -7.185 8.337 15.883 62 H1* U 6 H1' U 6 -6.311 6.696 14.236 63 H3 U 6 H3 U 6 -4.474 2.507 14.076 64 H5 U 6 H5 U 6 -1.257 5.223 14.221 65 H6 U 6 H6 U 6 -2.854 6.943 14.759 66 1H5* C 7 1H5' C 7 -8.085 7.015 18.425 67 2H5* C 7 2H5' C 7 -8.075 6.740 20.177 68 H4* C 7 H4' C 7 -9.384 4.972 19.059 69 H3* C 7 H3' C 7 -6.703 4.080 20.166 70 1H2* C 7 H2' C 7 -7.577 1.839 19.784 71 2HO* C 7 HO2' C 7 -9.783 2.551 20.387 72 H1* C 7 H1' C 7 -8.476 2.406 17.310 73 1H4 C 7 1H4 C 7 -1.964 1.832 16.424 74 2H4 C 7 2H4 C 7 -2.613 0.220 16.227 75 H5 C 7 H5 C 7 -3.336 3.742 17.172 76 H6 C 7 H6 C 7 -5.549 4.416 17.813 77 1H5* C 8 1H5' C 8 -9.883 1.526 21.792 78 2H5* C 8 2H5' C 8 -9.443 1.123 23.461 79 H4* C 8 H4' C 8 -9.749 -0.939 22.098 80 H3* C 8 H3' C 8 -6.902 -0.295 22.934 81 1H2* C 8 H2' C 8 -6.357 -2.465 22.166 82 2HO* C 8 HO2' C 8 -8.269 -3.451 23.113 83 H1* C 8 H1' C 8 -8.026 -2.336 19.923 84 1H4 C 8 1H4 C 8 -1.968 0.324 18.991 85 2H4 C 8 2H4 C 8 -1.840 -1.338 18.462 86 H5 C 8 H5 C 8 -4.007 1.252 19.998 87 H6 C 8 H6 C 8 -6.275 0.732 20.662 88 H3T C 8 HO3' C 8 -7.486 -1.805 24.580 89 1H5* G 9 1H5' G 9 3.452 -10.666 16.651 90 2H5* G 9 2H5' G 9 3.014 -10.645 14.927 91 H4* G 9 H4' G 9 0.995 -10.929 16.331 92 H3* G 9 H3' G 9 1.225 -8.201 15.019 93 1H2* G 9 H2' G 9 -1.107 -7.983 15.679 94 2HO* G 9 HO2' G 9 -2.114 -9.775 16.693 95 H1* G 9 H1' G 9 -0.633 -8.897 18.196 96 H8 G 9 H8 G 9 2.377 -6.816 17.216 97 H1 G 9 H1 G 9 -2.790 -3.331 18.742 98 1H2 G 9 1H2 G 9 -4.479 -6.376 18.631 99 2H2 G 9 2H2 G 9 -4.576 -4.649 18.895 100 H5T G 9 H5' G 9 3.483 -8.381 16.573 101 1H5* G 10 1H5' G 1 -2.496 -10.349 14.139 102 2H5* G 10 2H5' G 1 -2.925 -10.079 12.440 103 H4* G 10 H4' G 1 -4.858 -9.659 13.896 104 H3* G 10 H3' G 1 -3.681 -7.182 12.636 105 1H2* G 10 H2' G 1 -5.744 -6.130 13.355 106 2HO* G 10 HO2' G 1 -6.461 -8.740 14.229 107 H1* G 10 H1' G 1 -5.520 -7.050 15.841 108 H8 G 10 H8 G 1 -1.983 -6.686 14.698 109 H1 G 10 H1 G 1 -4.699 -1.126 16.405 110 1H2 G 10 1H2 G 1 -7.667 -2.952 16.403 111 2H2 G 10 2H2 G 1 -6.894 -1.403 16.655 112 1H5* A 11 1H5' A 1 -7.822 -7.304 11.912 113 2H5* A 11 2H5' A 1 -8.173 -6.849 10.234 114 H4* A 11 H4' A 1 -9.455 -5.456 11.811 115 H3* A 11 H3' A 1 -7.267 -4.034 10.301 116 1H2* A 11 H2' A 1 -8.290 -1.980 11.119 117 2HO* A 11 HO2' A 1 -10.298 -3.755 12.144 118 H1* A 11 H1' A 1 -8.523 -2.955 13.711 119 H8 A 11 H8 A 1 -5.401 -4.513 12.445 120 1H6 A 11 1H6 A 1 -2.535 0.848 13.634 121 2H6 A 11 2H6 A 1 -2.317 -0.827 13.178 122 H2 A 11 H2 A 1 -6.952 1.474 14.071 123 1H5* G 12 1H5' G 1 -10.713 -1.768 10.000 124 2H5* G 12 2H5' G 1 -11.032 -1.314 8.314 125 H4* G 12 H4' G 1 -10.988 0.680 9.740 126 H3* G 12 H3' G 1 -8.490 0.339 8.116 127 1H2* G 12 H2' G 1 -8.167 2.689 8.758 128 2HO* G 12 HO2' G 1 -10.725 2.450 9.956 129 H1* G 12 H1' G 1 -8.790 2.139 11.338 130 H8 G 12 H8 G 1 -6.815 -0.829 10.174 131 H1 G 12 H1 G 1 -3.208 4.339 11.371 132 1H2 G 12 1H2 G 1 -4.491 6.130 11.599 133 2H2 G 12 2H2 G 1 -6.234 6.043 11.469 134 1H5* U 13 1H5' U 1 -9.906 4.125 7.524 135 2H5* U 13 2H5' U 1 -9.842 4.627 5.825 136 H4* U 13 H4' U 1 -8.516 6.158 7.264 137 H3* U 13 H3' U 1 -7.032 4.377 5.331 138 1H2* U 13 H2' U 1 -5.055 5.475 5.875 139 2HO* U 13 HO2' U 1 -6.723 7.377 7.175 140 H1* U 13 H1' U 1 -5.535 5.700 8.518 141 H3 U 13 H3 U 1 -2.031 2.843 8.201 142 H5 U 13 H5 U 1 -5.502 0.513 7.550 143 H6 U 13 H6 U 1 -6.755 2.506 7.459 144 1H5* U 14 1H5' U 1 -6.141 9.003 4.804 145 2H5* U 14 2H5' U 1 -6.033 9.199 3.039 146 H4* U 14 H4' U 1 -4.109 10.348 4.083 147 H3* U 14 H3' U 1 -3.400 7.746 2.693 148 1H2* U 14 H2' U 1 -1.112 8.480 3.006 149 2HO* U 14 HO2' U 1 -1.735 10.765 2.638 150 H1* U 14 H1' U 1 -1.492 9.152 5.578 151 H3 U 14 H3 U 1 0.734 5.151 5.643 152 H5 U 14 H5 U 1 -3.377 4.240 5.502 153 H6 U 14 H6 U 1 -3.780 6.563 5.008 154 1H5* C 15 1H5' C 1 -0.601 10.797 1.286 155 2H5* C 15 2H5' C 1 -0.479 10.579 -0.469 156 H4* C 15 H4' C 1 1.769 10.508 0.547 157 H3* C 15 H3' C 1 0.717 7.852 -0.470 158 1H2* C 15 H2' C 1 3.000 7.099 -0.169 159 2HO* C 15 HO2' C 1 4.580 8.622 0.480 160 H1* C 15 H1' C 1 3.273 8.212 2.262 161 1H4 C 15 1H4 C 1 -0.312 2.765 3.311 162 2H4 C 15 2H4 C 1 1.360 2.257 3.400 163 H5 C 15 H5 C 1 -0.982 5.052 2.649 164 H6 C 15 H6 C 1 -0.155 7.204 1.987 165 1H5* C 16 1H5' C 1 4.607 8.872 -2.119 166 2H5* C 16 2H5' C 1 4.718 8.302 -3.796 167 H4* C 16 H4' C 1 6.576 7.375 -2.424 168 H3* C 16 H3' C 1 4.448 5.397 -3.307 169 1H2* C 16 H2' C 1 5.911 3.704 -2.527 170 2HO* C 16 HO2' C 1 7.859 5.781 -2.258 171 H1* C 16 H1' C 1 6.705 5.118 -0.251 172 1H4 C 16 1H4 C 1 0.993 1.779 0.624 173 2H4 C 16 2H4 C 1 2.254 0.723 1.216 174 H5 C 16 H5 C 1 1.452 3.938 -0.449 175 H6 C 16 H6 C 1 3.213 5.458 -1.115 176 H3T C 16 HO3' C 1 7.044 6.049 -4.301 Start of MODEL 28 1 1H5* G 1 1H5' G 1 6.362 -9.045 2.918 2 2H5* G 1 2H5' G 1 6.639 -8.703 4.642 3 H4* G 1 H4' G 1 8.166 -7.353 3.253 4 H3* G 1 H3' G 1 5.929 -5.777 4.565 5 1H2* G 1 H2' G 1 7.202 -3.827 3.882 6 2HO* G 1 HO2' G 1 9.148 -5.731 3.036 7 H1* G 1 H1' G 1 7.582 -4.751 1.360 8 H8 G 1 H8 G 1 4.127 -5.902 2.405 9 H1 G 1 H1 G 1 4.423 0.323 0.874 10 1H2 G 1 1H2 G 1 7.873 -0.159 0.926 11 2H2 G 1 2H2 G 1 6.548 0.957 0.685 12 H5T G 1 H5' G 1 4.418 -8.698 4.093 13 1H5* G 2 1H5' G 2 9.891 -4.131 5.390 14 2H5* G 2 2H5' G 2 9.955 -3.637 7.092 15 H4* G 2 H4' G 2 10.729 -1.810 5.638 16 H3* G 2 H3' G 2 8.047 -1.317 6.934 17 1H2* G 2 H2' G 2 8.428 0.978 6.235 18 2HO* G 2 HO2' G 2 10.381 1.449 5.118 19 H1* G 2 H1' G 2 9.009 0.265 3.734 20 H8 G 2 H8 G 2 6.617 -2.366 4.869 21 H1 G 2 H1 G 2 3.767 3.150 3.233 22 1H2 G 2 1H2 G 2 7.005 4.437 3.222 23 2H2 G 2 2H2 G 2 5.300 4.745 2.984 24 1H5* A 3 1H5' A 3 10.620 1.937 7.656 25 2H5* A 3 2H5' A 3 10.478 2.480 9.339 26 H4* A 3 H4' A 3 10.102 4.353 7.775 27 H3* A 3 H3' A 3 7.670 3.421 9.296 28 1H2* A 3 H2' A 3 6.634 5.481 8.505 29 2HO* A 3 HO2' A 3 7.953 6.917 7.254 30 H1* A 3 H1' A 3 7.539 5.103 5.905 31 H8 A 3 H8 A 3 6.919 1.663 7.146 32 1H6 A 3 1H6 A 3 0.902 2.601 6.005 33 2H6 A 3 2H6 A 3 2.113 1.416 6.444 34 H2 A 3 H2 A 3 3.052 6.511 5.583 35 1H5* G 4 1H5' G 4 7.916 7.539 9.636 36 2H5* G 4 2H5' G 4 7.750 8.050 11.329 37 H4* G 4 H4' G 4 6.108 9.220 9.924 38 H3* G 4 H3' G 4 4.899 6.984 11.521 39 1H2* G 4 H2' G 4 2.824 8.170 10.902 40 2HO* G 4 HO2' G 4 3.039 10.073 9.642 41 H1* G 4 H1' G 4 3.632 8.342 8.322 42 H8 G 4 H8 G 4 4.833 4.977 9.462 43 H1 G 4 H1 G 4 -1.472 5.188 8.299 44 1H2 G 4 1H2 G 4 -1.027 8.632 8.213 45 2H2 G 4 2H2 G 4 -2.140 7.288 8.084 46 1H5* U 5 1H5' U 5 2.736 10.388 12.159 47 2H5* U 5 2H5' U 5 2.306 10.626 13.863 48 H4* U 5 H4' U 5 0.276 10.516 12.435 49 H3* U 5 H3' U 5 0.804 8.232 14.337 50 1H2* U 5 H2' U 5 -1.273 7.334 13.792 51 2HO* U 5 HO2' U 5 -1.775 9.827 12.519 52 H1* U 5 H1' U 5 -1.167 7.867 11.156 53 H3 U 5 H3 U 5 -0.992 3.346 11.466 54 H5 U 5 H5 U 5 2.961 4.719 12.087 55 H6 U 5 H6 U 5 2.123 6.917 12.189 56 1H5* U 6 1H5' U 6 -3.430 10.290 14.930 57 2H5* U 6 2H5' U 6 -3.611 10.318 16.699 58 H4* U 6 H4' U 6 -5.706 9.473 15.704 59 H3* U 6 H3' U 6 -4.012 7.355 17.061 60 1H2* U 6 H2' U 6 -5.936 5.927 16.774 61 2HO* U 6 HO2' U 6 -7.228 8.294 15.867 62 H1* U 6 H1' U 6 -6.346 6.650 14.223 63 H3 U 6 H3 U 6 -4.451 2.477 14.141 64 H5 U 6 H5 U 6 -1.275 5.246 14.155 65 H6 U 6 H6 U 6 -2.893 6.956 14.670 66 1H5* C 7 1H5' C 7 -8.092 6.985 18.435 67 2H5* C 7 2H5' C 7 -8.052 6.742 20.191 68 H4* C 7 H4' C 7 -9.351 4.932 19.129 69 H3* C 7 H3' C 7 -6.637 4.111 20.208 70 1H2* C 7 H2' C 7 -7.449 1.850 19.866 71 2HO* C 7 HO2' C 7 -9.605 1.559 19.161 72 H1* C 7 H1' C 7 -8.437 2.353 17.413 73 1H4 C 7 1H4 C 7 -1.928 1.817 16.448 74 2H4 C 7 2H4 C 7 -2.567 0.195 16.299 75 H5 C 7 H5 C 7 -3.311 3.738 17.156 76 H6 C 7 H6 C 7 -5.521 4.410 17.806 77 1H5* C 8 1H5' C 8 -9.836 1.625 21.750 78 2H5* C 8 2H5' C 8 -9.490 1.181 23.433 79 H4* C 8 H4' C 8 -9.825 -0.853 22.038 80 H3* C 8 H3' C 8 -6.989 -0.339 22.996 81 1H2* C 8 H2' C 8 -6.486 -2.511 22.204 82 2HO* C 8 HO2' C 8 -8.385 -3.516 23.053 83 H1* C 8 H1' C 8 -8.080 -2.301 19.911 84 1H4 C 8 1H4 C 8 -1.950 0.209 19.083 85 2H4 C 8 2H4 C 8 -1.869 -1.438 18.501 86 H5 C 8 H5 C 8 -3.956 1.160 20.128 87 H6 C 8 H6 C 8 -6.238 0.687 20.775 88 H3T C 8 HO3' C 8 -9.157 -1.953 23.922 89 1H5* G 9 1H5' G 9 3.416 -10.628 16.724 90 2H5* G 9 2H5' G 9 2.994 -10.626 14.997 91 H4* G 9 H4' G 9 0.978 -11.009 16.361 92 H3* G 9 H3' G 9 1.101 -8.255 15.093 93 1H2* G 9 H2' G 9 -1.225 -8.095 15.757 94 2HO* G 9 HO2' G 9 -0.899 -10.807 16.576 95 H1* G 9 H1' G 9 -0.735 -8.985 18.271 96 H8 G 9 H8 G 9 2.295 -6.947 17.275 97 H1 G 9 H1 G 9 -2.823 -3.380 18.778 98 1H2 G 9 1H2 G 9 -4.556 -6.399 18.685 99 2H2 G 9 2H2 G 9 -4.628 -4.670 18.937 100 H5T G 9 H5' G 9 3.004 -8.360 15.062 101 1H5* G 10 1H5' G 1 -2.584 -10.394 14.203 102 2H5* G 10 2H5' G 1 -3.006 -10.127 12.502 103 H4* G 10 H4' G 1 -4.937 -9.678 13.950 104 H3* G 10 H3' G 1 -3.724 -7.224 12.680 105 1H2* G 10 H2' G 1 -5.771 -6.136 13.389 106 2HO* G 10 HO2' G 1 -6.531 -8.730 14.272 107 H1* G 10 H1' G 1 -5.571 -7.052 15.880 108 H8 G 10 H8 G 1 -2.021 -6.743 14.768 109 H1 G 10 H1 G 1 -4.681 -1.142 16.436 110 1H2 G 10 1H2 G 1 -7.670 -2.933 16.416 111 2H2 G 10 2H2 G 1 -6.880 -1.393 16.673 112 1H5* A 11 1H5' A 1 -7.876 -7.307 11.948 113 2H5* A 11 2H5' A 1 -8.218 -6.850 10.269 114 H4* A 11 H4' A 1 -9.487 -5.435 11.845 115 H3* A 11 H3' A 1 -7.274 -4.039 10.345 116 1H2* A 11 H2' A 1 -8.308 -1.981 11.152 117 2HO* A 11 HO2' A 1 -10.249 -2.196 12.402 118 H1* A 11 H1' A 1 -8.550 -2.960 13.742 119 H8 A 11 H8 A 1 -5.425 -4.514 12.486 120 1H6 A 11 1H6 A 1 -2.565 0.848 13.702 121 2H6 A 11 2H6 A 1 -2.343 -0.826 13.240 122 H2 A 11 H2 A 1 -6.984 1.467 14.126 123 1H5* G 12 1H5' G 1 -10.718 -1.770 10.023 124 2H5* G 12 2H5' G 1 -11.027 -1.312 8.336 125 H4* G 12 H4' G 1 -10.995 0.679 9.770 126 H3* G 12 H3' G 1 -8.492 0.344 8.153 127 1H2* G 12 H2' G 1 -8.169 2.692 8.802 128 2HO* G 12 HO2' G 1 -10.734 2.451 9.988 129 H1* G 12 H1' G 1 -8.802 2.136 11.380 130 H8 G 12 H8 G 1 -6.824 -0.831 10.223 131 H1 G 12 H1 G 1 -3.218 4.341 11.402 132 1H2 G 12 1H2 G 1 -4.501 6.133 11.625 133 2H2 G 12 2H2 G 1 -6.244 6.046 11.496 134 1H5* U 13 1H5' U 1 -9.894 4.133 7.563 135 2H5* U 13 2H5' U 1 -9.829 4.631 5.862 136 H4* U 13 H4' U 1 -8.492 6.160 7.295 137 H3* U 13 H3' U 1 -7.011 4.356 5.379 138 1H2* U 13 H2' U 1 -5.037 5.476 5.917 139 2HO* U 13 HO2' U 1 -5.966 7.603 5.882 140 H1* U 13 H1' U 1 -5.521 5.694 8.557 141 H3 U 13 H3 U 1 -2.018 2.832 8.220 142 H5 U 13 H5 U 1 -5.500 0.507 7.606 143 H6 U 13 H6 U 1 -6.749 2.501 7.513 144 1H5* U 14 1H5' U 1 -6.162 9.036 4.660 145 2H5* U 14 2H5' U 1 -6.028 9.114 2.889 146 H4* U 14 H4' U 1 -4.126 10.331 3.924 147 H3* U 14 H3' U 1 -3.420 7.696 2.601 148 1H2* U 14 H2' U 1 -1.129 8.402 2.906 149 2HO* U 14 HO2' U 1 -2.279 10.849 3.789 150 H1* U 14 H1' U 1 -1.500 9.175 5.446 151 H3 U 14 H3 U 1 0.751 5.177 5.535 152 H5 U 14 H5 U 1 -3.359 4.255 5.548 153 H6 U 14 H6 U 1 -3.786 6.570 5.030 154 1H5* C 15 1H5' C 1 -0.703 10.763 1.246 155 2H5* C 15 2H5' C 1 -0.495 10.582 -0.506 156 H4* C 15 H4' C 1 1.709 10.582 0.609 157 H3* C 15 H3' C 1 0.818 7.902 -0.498 158 1H2* C 15 H2' C 1 3.135 7.259 -0.121 159 2HO* C 15 HO2' C 1 3.888 9.452 -0.722 160 H1* C 15 H1' C 1 3.225 8.311 2.354 161 1H4 C 15 1H4 C 1 -0.221 2.753 3.221 162 2H4 C 15 2H4 C 1 1.459 2.301 3.405 163 H5 C 15 H5 C 1 -0.928 5.003 2.496 164 H6 C 15 H6 C 1 -0.140 7.183 1.866 165 1H5* C 16 1H5' C 1 4.763 8.925 -2.132 166 2H5* C 16 2H5' C 1 4.819 8.338 -3.804 167 H4* C 16 H4' C 1 6.658 7.345 -2.448 168 H3* C 16 H3' C 1 4.437 5.452 -3.287 169 1H2* C 16 H2' C 1 5.851 3.714 -2.528 170 2HO* C 16 HO2' C 1 7.784 4.660 -3.475 171 H1* C 16 H1' C 1 6.749 5.119 -0.281 172 1H4 C 16 1H4 C 1 0.991 1.857 0.644 173 2H4 C 16 2H4 C 1 2.246 0.756 1.164 174 H5 C 16 H5 C 1 1.468 4.051 -0.351 175 H6 C 16 H6 C 1 3.243 5.559 -1.010 176 H3T C 16 HO3' C 1 5.994 5.023 -4.937 Start of MODEL 29 1 1H5* G 1 1H5' G 1 6.360 -9.055 2.959 2 2H5* G 1 2H5' G 1 6.628 -8.704 4.682 3 H4* G 1 H4' G 1 8.157 -7.356 3.294 4 H3* G 1 H3' G 1 5.908 -5.780 4.586 5 1H2* G 1 H2' G 1 7.179 -3.830 3.900 6 2HO* G 1 HO2' G 1 9.134 -5.732 3.071 7 H1* G 1 H1' G 1 7.571 -4.764 1.383 8 H8 G 1 H8 G 1 4.118 -5.927 2.421 9 H1 G 1 H1 G 1 4.388 0.295 0.876 10 1H2 G 1 1H2 G 1 7.840 -0.169 0.935 11 2H2 G 1 2H2 G 1 6.509 0.940 0.690 12 H5T G 1 H5' G 1 4.409 -8.709 4.122 13 1H5* G 2 1H5' G 2 9.866 -4.128 5.421 14 2H5* G 2 2H5' G 2 9.923 -3.624 7.120 15 H4* G 2 H4' G 2 10.708 -1.809 5.656 16 H3* G 2 H3' G 2 8.022 -1.298 6.937 17 1H2* G 2 H2' G 2 8.420 0.992 6.224 18 2HO* G 2 HO2' G 2 10.380 1.440 5.106 19 H1* G 2 H1' G 2 9.000 0.258 3.731 20 H8 G 2 H8 G 2 6.598 -2.359 4.873 21 H1 G 2 H1 G 2 3.766 3.162 3.223 22 1H2 G 2 1H2 G 2 7.008 4.440 3.215 23 2H2 G 2 2H2 G 2 5.303 4.752 2.974 24 1H5* A 3 1H5' A 3 10.610 1.942 7.648 25 2H5* A 3 2H5' A 3 10.469 2.499 9.325 26 H4* A 3 H4' A 3 10.122 4.359 7.744 27 H3* A 3 H3' A 3 7.688 3.475 9.287 28 1H2* A 3 H2' A 3 6.646 5.516 8.470 29 2HO* A 3 HO2' A 3 9.261 6.063 7.423 30 H1* A 3 H1' A 3 7.541 5.117 5.870 31 H8 A 3 H8 A 3 6.924 1.686 7.140 32 1H6 A 3 1H6 A 3 0.905 2.617 6.007 33 2H6 A 3 2H6 A 3 2.117 1.435 6.451 34 H2 A 3 H2 A 3 3.053 6.525 5.558 35 1H5* G 4 1H5' G 4 7.900 7.586 9.571 36 2H5* G 4 2H5' G 4 7.756 8.113 11.260 37 H4* G 4 H4' G 4 6.073 9.248 9.879 38 H3* G 4 H3' G 4 4.919 7.000 11.502 39 1H2* G 4 H2' G 4 2.819 8.156 10.910 40 2HO* G 4 HO2' G 4 2.989 10.059 9.645 41 H1* G 4 H1' G 4 3.591 8.338 8.318 42 H8 G 4 H8 G 4 4.842 4.986 9.442 43 H1 G 4 H1 G 4 -1.476 5.130 8.343 44 1H2 G 4 1H2 G 4 -2.169 7.222 8.138 45 2H2 G 4 2H2 G 4 -1.070 8.579 8.261 46 1H5* U 5 1H5' U 5 2.730 10.393 12.156 47 2H5* U 5 2H5' U 5 2.317 10.631 13.864 48 H4* U 5 H4' U 5 0.272 10.500 12.455 49 H3* U 5 H3' U 5 0.840 8.231 14.363 50 1H2* U 5 H2' U 5 -1.234 7.317 13.851 51 2HO* U 5 HO2' U 5 -2.769 8.530 12.638 52 H1* U 5 H1' U 5 -1.169 7.852 11.208 53 H3 U 5 H3 U 5 -0.993 3.332 11.493 54 H5 U 5 H5 U 5 2.968 4.701 12.079 55 H6 U 5 H6 U 5 2.132 6.899 12.203 56 1H5* U 6 1H5' U 6 -3.389 10.287 14.975 57 2H5* U 6 2H5' U 6 -3.576 10.306 16.744 58 H4* U 6 H4' U 6 -5.669 9.457 15.737 59 H3* U 6 H3' U 6 -3.973 7.332 17.080 60 1H2* U 6 H2' U 6 -5.914 5.922 16.792 61 2HO* U 6 HO2' U 6 -7.821 6.851 15.916 62 H1* U 6 H1' U 6 -6.307 6.656 14.240 63 H3 U 6 H3 U 6 -4.447 2.476 14.108 64 H5 U 6 H5 U 6 -1.245 5.214 14.204 65 H6 U 6 H6 U 6 -2.850 6.928 14.738 66 1H5* C 7 1H5' C 7 -8.058 7.000 18.446 67 2H5* C 7 2H5' C 7 -8.030 6.735 20.200 68 H4* C 7 H4' C 7 -9.351 4.958 19.103 69 H3* C 7 H3' C 7 -6.660 4.087 20.201 70 1H2* C 7 H2' C 7 -7.499 1.842 19.826 71 2HO* C 7 HO2' C 7 -9.651 1.587 19.096 72 H1* C 7 H1' C 7 -8.453 2.383 17.369 73 1H4 C 7 1H4 C 7 -1.947 1.774 16.444 74 2H4 C 7 2H4 C 7 -2.604 0.161 16.274 75 H5 C 7 H5 C 7 -3.309 3.704 17.166 76 H6 C 7 H6 C 7 -5.514 4.395 17.812 77 1H5* C 8 1H5' C 8 -9.872 1.594 21.682 78 2H5* C 8 2H5' C 8 -9.544 1.143 23.367 79 H4* C 8 H4' C 8 -9.849 -0.888 21.962 80 H3* C 8 H3' C 8 -7.025 -0.355 22.941 81 1H2* C 8 H2' C 8 -6.498 -2.519 22.151 82 2HO* C 8 HO2' C 8 -8.221 -3.922 21.466 83 H1* C 8 H1' C 8 -8.066 -2.312 19.841 84 1H4 C 8 1H4 C 8 -1.951 0.259 19.100 85 2H4 C 8 2H4 C 8 -1.844 -1.388 18.524 86 H5 C 8 H5 C 8 -3.983 1.190 20.114 87 H6 C 8 H6 C 8 -6.269 0.692 20.728 88 H3T C 8 HO3' C 8 -7.754 -1.926 24.500 89 1H5* G 9 1H5' G 9 3.458 -10.661 16.676 90 2H5* G 9 2H5' G 9 2.934 -10.731 14.977 91 H4* G 9 H4' G 9 0.994 -10.978 16.494 92 H3* G 9 H3' G 9 1.105 -8.313 15.044 93 1H2* G 9 H2' G 9 -1.207 -8.120 15.806 94 2HO* G 9 HO2' G 9 -1.576 -10.457 15.538 95 H1* G 9 H1' G 9 -0.573 -8.873 18.342 96 H8 G 9 H8 G 9 2.355 -6.820 17.097 97 H1 G 9 H1 G 9 -2.748 -3.303 18.755 98 1H2 G 9 1H2 G 9 -4.422 -6.356 18.849 99 2H2 G 9 2H2 G 9 -4.517 -4.620 19.046 100 H5T G 9 H5' G 9 3.447 -8.383 16.487 101 1H5* G 10 1H5' G 1 -2.739 -10.491 14.251 102 2H5* G 10 2H5' G 1 -3.128 -10.194 12.549 103 H4* G 10 H4' G 1 -5.056 -9.680 13.993 104 H3* G 10 H3' G 1 -3.755 -7.266 12.732 105 1H2* G 10 H2' G 1 -5.805 -6.149 13.411 106 2HO* G 10 HO2' G 1 -7.398 -7.400 14.498 107 H1* G 10 H1' G 1 -5.636 -7.066 15.906 108 H8 G 10 H8 G 1 -2.075 -6.800 14.822 109 H1 G 10 H1 G 1 -4.694 -1.156 16.416 110 1H2 G 10 1H2 G 1 -7.697 -2.923 16.406 111 2H2 G 10 2H2 G 1 -6.895 -1.387 16.648 112 1H5* A 11 1H5' A 1 -7.904 -7.310 11.956 113 2H5* A 11 2H5' A 1 -8.231 -6.848 10.276 114 H4* A 11 H4' A 1 -9.509 -5.436 11.852 115 H3* A 11 H3' A 1 -7.295 -4.047 10.349 116 1H2* A 11 H2' A 1 -8.315 -1.984 11.154 117 2HO* A 11 HO2' A 1 -10.260 -2.181 12.398 118 H1* A 11 H1' A 1 -8.567 -2.955 13.746 119 H8 A 11 H8 A 1 -5.446 -4.529 12.511 120 1H6 A 11 1H6 A 1 -2.566 0.831 13.690 121 2H6 A 11 2H6 A 1 -2.350 -0.847 13.244 122 H2 A 11 H2 A 1 -6.984 1.473 14.096 123 1H5* G 12 1H5' G 1 -10.727 -1.760 10.019 124 2H5* G 12 2H5' G 1 -11.033 -1.309 8.329 125 H4* G 12 H4' G 1 -10.981 0.698 9.747 126 H3* G 12 H3' G 1 -8.466 0.326 8.150 127 1H2* G 12 H2' G 1 -8.164 2.692 8.782 128 2HO* G 12 HO2' G 1 -9.813 3.662 10.044 129 H1* G 12 H1' G 1 -8.792 2.137 11.359 130 H8 G 12 H8 G 1 -6.825 -0.842 10.213 131 H1 G 12 H1 G 1 -3.201 4.318 11.393 132 1H2 G 12 1H2 G 1 -6.220 6.035 11.475 133 2H2 G 12 2H2 G 1 -4.477 6.115 11.609 134 1H5* U 13 1H5' U 1 -9.888 4.108 7.532 135 2H5* U 13 2H5' U 1 -9.814 4.605 5.831 136 H4* U 13 H4' U 1 -8.508 6.152 7.272 137 H3* U 13 H3' U 1 -6.990 4.363 5.370 138 1H2* U 13 H2' U 1 -5.033 5.506 5.924 139 2HO* U 13 HO2' U 1 -5.986 7.621 5.885 140 H1* U 13 H1' U 1 -5.534 5.711 8.559 141 H3 U 13 H3 U 1 -2.011 2.869 8.232 142 H5 U 13 H5 U 1 -5.476 0.526 7.592 143 H6 U 13 H6 U 1 -6.735 2.512 7.500 144 1H5* U 14 1H5' U 1 -6.170 9.051 4.655 145 2H5* U 14 2H5' U 1 -6.027 9.125 2.885 146 H4* U 14 H4' U 1 -4.139 10.357 3.924 147 H3* U 14 H3' U 1 -3.409 7.722 2.616 148 1H2* U 14 H2' U 1 -1.124 8.444 2.929 149 2HO* U 14 HO2' U 1 -2.294 10.888 3.796 150 H1* U 14 H1' U 1 -1.513 9.223 5.466 151 H3 U 14 H3 U 1 0.760 5.234 5.562 152 H5 U 14 H5 U 1 -3.346 4.292 5.561 153 H6 U 14 H6 U 1 -3.782 6.605 5.044 154 1H5* C 15 1H5' C 1 -0.684 10.766 1.254 155 2H5* C 15 2H5' C 1 -0.497 10.588 -0.501 156 H4* C 15 H4' C 1 1.718 10.578 0.580 157 H3* C 15 H3' C 1 0.789 7.908 -0.519 158 1H2* C 15 H2' C 1 3.075 7.199 -0.145 159 2HO* C 15 HO2' C 1 3.537 9.928 0.500 160 H1* C 15 H1' C 1 3.245 8.285 2.310 161 1H4 C 15 1H4 C 1 -0.257 2.767 3.236 162 2H4 C 15 2H4 C 1 1.421 2.293 3.381 163 H5 C 15 H5 C 1 -0.951 5.034 2.545 164 H6 C 15 H6 C 1 -0.149 7.205 1.907 165 1H5* C 16 1H5' C 1 4.710 8.936 -2.015 166 2H5* C 16 2H5' C 1 4.854 8.414 -3.705 167 H4* C 16 H4' C 1 6.657 7.398 -2.329 168 H3* C 16 H3' C 1 4.491 5.492 -3.275 169 1H2* C 16 H2' C 1 5.909 3.755 -2.519 170 2HO* C 16 HO2' C 1 8.079 4.271 -1.870 171 H1* C 16 H1' C 1 6.728 5.126 -0.219 172 1H4 C 16 1H4 C 1 0.997 1.807 0.602 173 2H4 C 16 2H4 C 1 2.254 0.721 1.148 174 H5 C 16 H5 C 1 1.468 3.995 -0.408 175 H6 C 16 H6 C 1 3.237 5.518 -1.044 176 H3T C 16 HO3' C 1 5.700 6.641 -4.887 Start of MODEL 30 1 1H5* G 1 1H5' G 1 5.762 -9.201 3.665 2 2H5* G 1 2H5' G 1 6.182 -8.769 5.339 3 H4* G 1 H4' G 1 7.660 -7.576 3.763 4 H3* G 1 H3' G 1 5.589 -5.807 5.105 5 1H2* G 1 H2' G 1 6.954 -3.988 4.228 6 2HO* G 1 HO2' G 1 8.966 -5.217 4.552 7 H1* G 1 H1' G 1 7.074 -5.088 1.749 8 H8 G 1 H8 G 1 3.647 -5.976 3.085 9 H1 G 1 H1 G 1 4.147 0.116 1.133 10 1H2 G 1 1H2 G 1 7.568 -0.534 1.027 11 2H2 G 1 2H2 G 1 6.284 0.631 0.790 12 H5T G 1 H5' G 1 3.929 -8.688 4.958 13 1H5* G 2 1H5' G 2 9.719 -4.240 5.788 14 2H5* G 2 2H5' G 2 9.756 -3.687 7.471 15 H4* G 2 H4' G 2 10.586 -1.930 5.963 16 H3* G 2 H3' G 2 7.896 -1.346 7.201 17 1H2* G 2 H2' G 2 8.340 0.920 6.435 18 2HO* G 2 HO2' G 2 10.316 1.305 5.325 19 H1* G 2 H1' G 2 8.925 0.109 3.967 20 H8 G 2 H8 G 2 6.478 -2.446 5.151 21 H1 G 2 H1 G 2 3.730 3.082 3.384 22 1H2 G 2 1H2 G 2 6.990 4.313 3.352 23 2H2 G 2 2H2 G 2 5.290 4.645 3.104 24 1H5* A 3 1H5' A 3 10.513 1.868 7.869 25 2H5* A 3 2H5' A 3 10.374 2.451 9.538 26 H4* A 3 H4' A 3 10.058 4.295 7.936 27 H3* A 3 H3' A 3 7.599 3.454 9.465 28 1H2* A 3 H2' A 3 6.587 5.499 8.618 29 2HO* A 3 HO2' A 3 9.217 6.003 7.586 30 H1* A 3 H1' A 3 7.500 5.056 6.030 31 H8 A 3 H8 A 3 6.842 1.645 7.325 32 1H6 A 3 1H6 A 3 0.840 2.623 6.144 33 2H6 A 3 2H6 A 3 2.038 1.433 6.601 34 H2 A 3 H2 A 3 3.026 6.510 5.691 35 1H5* G 4 1H5' G 4 7.862 7.567 9.706 36 2H5* G 4 2H5' G 4 7.718 8.111 11.389 37 H4* G 4 H4' G 4 6.071 9.264 9.993 38 H3* G 4 H3' G 4 4.870 7.055 11.628 39 1H2* G 4 H2' G 4 2.786 8.203 11.018 40 2HO* G 4 HO2' G 4 4.493 10.119 9.811 41 H1* G 4 H1' G 4 3.572 8.393 8.426 42 H8 G 4 H8 G 4 4.759 5.024 9.581 43 H1 G 4 H1 G 4 -1.528 5.256 8.334 44 1H2 G 4 1H2 G 4 -2.185 7.359 8.104 45 2H2 G 4 2H2 G 4 -1.069 8.699 8.251 46 1H5* U 5 1H5' U 5 2.694 10.462 12.268 47 2H5* U 5 2H5' U 5 2.276 10.692 13.976 48 H4* U 5 H4' U 5 0.235 10.557 12.565 49 H3* U 5 H3' U 5 0.807 8.271 14.452 50 1H2* U 5 H2' U 5 -1.269 7.364 13.930 51 2HO* U 5 HO2' U 5 -2.803 8.593 12.733 52 H1* U 5 H1' U 5 -1.203 7.938 11.292 53 H3 U 5 H3 U 5 -1.043 3.414 11.489 54 H5 U 5 H5 U 5 2.913 4.748 12.172 55 H6 U 5 H6 U 5 2.089 6.951 12.311 56 1H5* U 6 1H5' U 6 -3.419 10.331 15.099 57 2H5* U 6 2H5' U 6 -3.613 10.308 16.867 58 H4* U 6 H4' U 6 -5.701 9.486 15.834 59 H3* U 6 H3' U 6 -4.014 7.320 17.125 60 1H2* U 6 H2' U 6 -5.963 5.926 16.795 61 2HO* U 6 HO2' U 6 -7.863 6.889 15.941 62 H1* U 6 H1' U 6 -6.347 6.734 14.263 63 H3 U 6 H3 U 6 -4.521 2.553 13.976 64 H5 U 6 H5 U 6 -1.292 5.247 14.233 65 H6 U 6 H6 U 6 -2.886 6.958 14.814 66 1H5* C 7 1H5' C 7 -8.078 6.907 18.486 67 2H5* C 7 2H5' C 7 -8.039 6.612 20.235 68 H4* C 7 H4' C 7 -9.330 4.827 19.121 69 H3* C 7 H3' C 7 -6.609 3.992 20.172 70 1H2* C 7 H2' C 7 -7.397 1.736 19.755 71 2HO* C 7 HO2' C 7 -9.551 1.446 19.038 72 H1* C 7 H1' C 7 -8.389 2.307 17.319 73 1H4 C 7 1H4 C 7 -1.882 1.895 16.315 74 2H4 C 7 2H4 C 7 -2.495 0.268 16.125 75 H5 C 7 H5 C 7 -3.290 3.773 17.086 76 H6 C 7 H6 C 7 -5.505 4.389 17.769 77 1H5* C 8 1H5' C 8 -9.697 1.355 21.620 78 2H5* C 8 2H5' C 8 -9.339 0.892 23.295 79 H4* C 8 H4' C 8 -9.561 -1.128 21.862 80 H3* C 8 H3' C 8 -6.757 -0.479 22.833 81 1H2* C 8 H2' C 8 -6.137 -2.604 22.001 82 2HO* C 8 HO2' C 8 -7.802 -4.078 21.323 83 H1* C 8 H1' C 8 -7.736 -2.441 19.710 84 1H4 C 8 1H4 C 8 -1.746 0.407 18.956 85 2H4 C 8 2H4 C 8 -1.565 -1.232 18.377 86 H5 C 8 H5 C 8 -3.817 1.241 19.975 87 H6 C 8 H6 C 8 -6.076 0.636 20.597 88 H3T C 8 HO3' C 8 -8.764 -2.306 23.720 89 1H5* G 9 1H5' G 9 4.024 -10.035 15.735 90 2H5* G 9 2H5' G 9 3.385 -10.092 14.076 91 H4* G 9 H4' G 9 1.589 -10.598 15.692 92 H3* G 9 H3' G 9 1.358 -7.863 14.396 93 1H2* G 9 H2' G 9 -0.893 -7.900 15.330 94 2HO* G 9 HO2' G 9 -1.096 -10.247 14.984 95 H1* G 9 H1' G 9 -0.011 -8.672 17.778 96 H8 G 9 H8 G 9 2.708 -6.436 16.397 97 H1 G 9 H1 G 9 -2.436 -3.221 18.487 98 1H2 G 9 1H2 G 9 -3.952 -6.354 18.605 99 2H2 G 9 2H2 G 9 -4.116 -4.631 18.857 100 H5T G 9 H5' G 9 4.667 -8.236 14.453 101 1H5* G 10 1H5' G 1 -2.351 -10.266 13.777 102 2H5* G 10 2H5' G 1 -2.876 -9.951 12.115 103 H4* G 10 H4' G 1 -4.732 -9.621 13.698 104 H3* G 10 H3' G 1 -3.694 -7.081 12.437 105 1H2* G 10 H2' G 1 -5.780 -6.141 13.286 106 2HO* G 10 HO2' G 1 -6.936 -8.214 12.959 107 H1* G 10 H1' G 1 -5.343 -7.091 15.739 108 H8 G 10 H8 G 1 -1.885 -6.603 14.445 109 H1 G 10 H1 G 1 -4.680 -1.138 16.323 110 1H2 G 10 1H2 G 1 -7.600 -3.041 16.399 111 2H2 G 10 2H2 G 1 -6.858 -1.475 16.644 112 1H5* A 11 1H5' A 1 -7.886 -7.246 11.828 113 2H5* A 11 2H5' A 1 -8.257 -6.758 10.165 114 H4* A 11 H4' A 1 -9.509 -5.398 11.800 115 H3* A 11 H3' A 1 -7.359 -3.963 10.249 116 1H2* A 11 H2' A 1 -8.339 -1.915 11.125 117 2HO* A 11 HO2' A 1 -10.340 -3.685 12.170 118 H1* A 11 H1' A 1 -8.518 -2.926 13.710 119 H8 A 11 H8 A 1 -5.433 -4.495 12.394 120 1H6 A 11 1H6 A 1 -2.524 0.867 13.503 121 2H6 A 11 2H6 A 1 -2.318 -0.812 13.050 122 H2 A 11 H2 A 1 -6.929 1.509 14.018 123 1H5* G 12 1H5' G 1 -10.768 -1.640 10.063 124 2H5* G 12 2H5' G 1 -11.134 -1.197 8.382 125 H4* G 12 H4' G 1 -11.005 0.824 9.764 126 H3* G 12 H3' G 1 -8.530 0.394 8.117 127 1H2* G 12 H2' G 1 -8.184 2.766 8.710 128 2HO* G 12 HO2' G 1 -9.795 3.773 9.992 129 H1* G 12 H1' G 1 -8.772 2.253 11.306 130 H8 G 12 H8 G 1 -6.853 -0.755 10.142 131 H1 G 12 H1 G 1 -3.167 4.365 11.298 132 1H2 G 12 1H2 G 1 -6.165 6.114 11.406 133 2H2 G 12 2H2 G 1 -4.420 6.174 11.527 134 1H5* U 13 1H5' U 1 -9.932 4.188 7.473 135 2H5* U 13 2H5' U 1 -9.876 4.662 5.766 136 H4* U 13 H4' U 1 -8.541 6.215 7.170 137 H3* U 13 H3' U 1 -7.065 4.395 5.267 138 1H2* U 13 H2' U 1 -5.086 5.500 5.785 139 2HO* U 13 HO2' U 1 -6.748 7.430 7.051 140 H1* U 13 H1' U 1 -5.558 5.776 8.424 141 H3 U 13 H3 U 1 -2.063 2.904 8.170 142 H5 U 13 H5 U 1 -5.531 0.574 7.510 143 H6 U 13 H6 U 1 -6.782 2.567 7.398 144 1H5* U 14 1H5' U 1 -6.147 9.013 4.619 145 2H5* U 14 2H5' U 1 -6.032 9.150 2.849 146 H4* U 14 H4' U 1 -4.096 10.308 3.856 147 H3* U 14 H3' U 1 -3.415 7.647 2.569 148 1H2* U 14 H2' U 1 -1.121 8.352 2.872 149 2HO* U 14 HO2' U 1 -0.725 10.447 3.720 150 H1* U 14 H1' U 1 -1.503 9.150 5.405 151 H3 U 14 H3 U 1 0.701 5.150 5.662 152 H5 U 14 H5 U 1 -3.405 4.233 5.450 153 H6 U 14 H6 U 1 -3.798 6.542 4.884 154 1H5* C 15 1H5' C 1 -0.673 10.676 1.186 155 2H5* C 15 2H5' C 1 -0.434 10.457 -0.557 156 H4* C 15 H4' C 1 1.749 10.468 0.602 157 H3* C 15 H3' C 1 0.868 7.771 -0.474 158 1H2* C 15 H2' C 1 3.174 7.124 -0.036 159 2HO* C 15 HO2' C 1 3.947 9.305 -0.661 160 H1* C 15 H1' C 1 3.216 8.224 2.421 161 1H4 C 15 1H4 C 1 -0.277 2.707 3.342 162 2H4 C 15 2H4 C 1 1.396 2.252 3.576 163 H5 C 15 H5 C 1 -0.955 4.939 2.538 164 H6 C 15 H6 C 1 -0.142 7.096 1.871 165 1H5* C 16 1H5' C 1 4.857 8.667 -2.008 166 2H5* C 16 2H5' C 1 4.940 8.063 -3.673 167 H4* C 16 H4' C 1 6.711 7.026 -2.261 168 H3* C 16 H3' C 1 4.452 5.199 -3.147 169 1H2* C 16 H2' C 1 5.773 3.421 -2.321 170 2HO* C 16 HO2' C 1 7.975 3.845 -1.704 171 H1* C 16 H1' C 1 6.680 4.822 -0.073 172 1H4 C 16 1H4 C 1 0.798 1.767 0.769 173 2H4 C 16 2H4 C 1 2.004 0.623 1.311 174 H5 C 16 H5 C 1 1.369 3.940 -0.223 175 H6 C 16 H6 C 1 3.207 5.380 -0.859 176 H3T C 16 HO3' C 1 7.102 5.649 -4.112 No H/Q in entry = 176
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