NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5235 | 1gtc | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G5' 1 -12.022 -10.015 -2.483 2 2H5* G 1 2H5' G5' 1 -13.088 -8.809 -1.734 3 H4* G 1 H4' G5' 1 -11.766 -10.044 -0.011 4 H3* G 1 H3' G5' 1 -11.953 -7.195 -0.169 5 1H2* G 1 1H2' G5' 1 -9.548 -6.995 1.074 6 2H2* G 1 2H2' G5' 1 -9.687 -6.943 -0.703 7 H1* G 1 H1' G5' 1 -9.248 -9.408 1.058 8 H8 G 1 H8 G5' 1 -7.838 -8.373 -2.458 9 H1 G 1 H1 G5' 1 -3.482 -10.230 1.889 10 1H2 G 1 1H2 G5' 1 -6.237 -10.379 4.063 11 2H2 G 1 2H2 G5' 1 -4.509 -10.594 3.881 12 H5T G 1 H5' G5' 1 -11.935 -7.979 -3.527 13 1H5* C 2 1H5' C 2 -10.113 -9.161 3.904 14 2H5* C 2 2H5' C 2 -10.853 -8.222 5.220 15 H4* C 2 H4' C 2 -8.484 -8.611 5.771 16 H3* C 2 H3' C 2 -9.624 -5.986 5.685 17 1H2* C 2 1H2' C 2 -7.238 -4.929 4.950 18 2H2* C 2 2H2' C 2 -8.366 -5.496 3.733 19 H1* C 2 H1' C 2 -6.236 -7.227 5.097 20 1H4 C 2 1H4 C 2 -3.851 -5.891 -1.045 21 2H4 C 2 2H4 C 2 -2.534 -6.510 -0.064 22 H5 C 2 H5 C 2 -6.171 -5.692 -0.144 23 H6 C 2 H6 C 2 -7.543 -6.069 1.812 24 1H5* A 3 1H5' A 3 -5.760 -7.416 8.346 25 2H5* A 3 2H5' A 3 -6.041 -6.513 9.849 26 H4* A 3 H4' A 3 -3.627 -6.970 9.595 27 H3* A 3 H3' A 3 -4.690 -4.430 10.141 28 1H2* A 3 1H2' A 3 -2.825 -3.156 8.680 29 2H2* A 3 2H2' A 3 -4.359 -3.641 7.923 30 H1* A 3 H1' A 3 -1.736 -5.193 7.939 31 H8 A 3 H8 A 3 -4.805 -4.504 5.683 32 1H6 A 3 1H6 A 3 -0.818 -4.478 0.949 33 2H6 A 3 2H6 A 3 -2.490 -4.248 1.424 34 H2 A 3 H2 A 3 1.505 -5.137 4.699 35 1H5* G 4 1H5' G 4 0.073 -4.940 10.036 36 2H5* G 4 2H5' G 4 0.729 -4.019 11.412 37 H4* G 4 H4' G 4 2.234 -3.785 9.507 38 H3* G 4 H3' G 4 0.801 -1.385 10.515 39 1H2* G 4 1H2' G 4 2.104 -0.387 8.233 40 2H2* G 4 2H2' G 4 0.348 -0.630 8.433 41 H1* G 4 H1' G 4 2.463 -2.471 7.263 42 H8 G 4 H8 G 4 -1.323 -1.833 6.897 43 H1 G 4 H1 G 4 2.024 -1.751 1.417 44 1H2 G 4 1H2 G 4 4.787 -2.198 3.552 45 2H2 G 4 2H2 G 4 4.237 -2.026 1.900 46 1H5* T 5 1H5' T 5 4.872 -1.131 8.410 47 2H5* T 5 2H5' T 5 5.971 0.019 9.197 48 H4* T 5 H4' T 5 6.146 0.307 6.808 49 H3* T 5 H3' T 5 5.023 2.512 8.447 50 1H2* T 5 1H2' T 5 4.591 3.606 5.956 51 2H2* T 5 2H2' T 5 3.351 2.934 7.035 52 H1* T 5 H1' T 5 4.937 1.574 4.850 53 H3 T 5 H3 T 5 1.618 1.391 1.732 54 1H5M T 5 1H5M T 5 -1.676 1.183 5.078 55 2H5M T 5 2H5M T 5 -0.744 1.241 6.584 56 3H5M T 5 3H5M T 5 -1.140 2.747 5.726 57 H6 T 5 H6 T 5 1.638 1.632 6.533 58 1H5* G 6 1H5' G 6 7.617 3.261 4.461 59 2H5* G 6 2H5' G 6 8.614 4.704 4.743 60 H4* G 6 H4' G 6 7.737 4.793 2.461 61 H3* G 6 H3' G 6 7.045 6.864 4.427 62 1H2* G 6 1H2' G 6 5.192 7.577 2.498 63 2H2* G 6 2H2' G 6 4.817 6.712 4.013 64 H1* G 6 H1' G 6 5.409 5.611 1.261 65 H8 G 6 H8 G 6 3.219 4.956 4.367 66 H1 G 6 H1 G 6 0.249 4.360 -1.301 67 1H2 G 6 1H2 G 6 3.354 5.332 -2.594 68 2H2 G 6 2H2 G 6 1.687 4.933 -2.945 69 1H5* G 7 1H5' G 7 7.155 7.270 -0.319 70 2H5* G 7 2H5' G 7 7.939 8.818 -0.700 71 H4* G 7 H4' G 7 6.153 8.465 -2.338 72 H3* G 7 H3' G 7 6.192 10.765 -0.562 73 1H2* G 7 1H2' G 7 3.541 10.976 -1.157 74 2H2* G 7 2H2' G 7 4.082 10.172 0.344 75 H1* G 7 H1' G 7 3.463 8.916 -2.359 76 H8 G 7 H8 G 7 2.922 8.078 1.407 77 H1 G 7 H1 G 7 -2.234 7.243 -2.328 78 1H2 G 7 1H2 G 7 -0.179 8.558 -4.853 79 2H2 G 7 2H2 G 7 -1.782 8.007 -4.410 80 1H5* C 8 1H5' C3' 8 3.622 10.707 -4.623 81 2H5* C 8 2H5' C3' 8 3.761 12.321 -5.341 82 H4* C 8 H4' C3' 8 1.547 11.452 -5.700 83 H3* C 8 H3' C3' 8 1.947 13.920 -4.105 84 1H2* C 8 1H2' C3' 8 -0.884 13.579 -3.937 85 2H2* C 8 2H2' C3' 8 0.296 13.397 -2.599 86 H1* C 8 H1' C3' 8 -0.778 11.269 -4.484 87 1H4 C 8 1H4 C3' 8 -2.314 9.467 1.778 88 2H4 C 8 2H4 C3' 8 -3.788 9.369 0.839 89 H5 C 8 H5 C3' 8 -0.165 10.295 0.819 90 H6 C 8 H6 C3' 8 0.847 11.169 -1.172 91 H3T C 8 HO3' C3' 8 0.436 14.628 -5.654 92 1H5* G 1 1H5' G5' 1 -14.272 7.628 -1.693 93 2H5* G 1 2H5' G5' 1 -14.125 6.273 -2.829 94 H4* G 1 H4' G5' 1 -13.214 8.360 -3.790 95 H3* G 1 H3' G5' 1 -11.154 6.196 -3.151 96 1H2* G 1 H2' G5' 1 -9.599 7.626 -4.353 97 2HO* G 1 HO2' G5' 1 -10.294 9.482 -5.361 98 H1* G 1 H1' G5' 1 -10.292 9.841 -3.124 99 H8 G 1 H8 G5' 1 -10.555 7.336 -0.366 100 H1 G 1 H1 G5' 1 -4.810 10.073 -1.287 101 1H2 G 1 1H2 G5' 1 -6.200 11.017 -4.378 102 2H2 G 1 2H2 G5' 1 -4.789 11.050 -3.343 103 H5T G 1 H5' G5' 1 -13.484 5.707 -0.718 104 1H5* C 2 1H5' C 2 -10.142 7.577 -7.108 105 2H5* C 2 2H5' C 2 -9.695 6.173 -8.080 106 H4* C 2 H4' C 2 -7.829 7.834 -7.916 107 H3* C 2 H3' C 2 -7.421 5.141 -6.591 108 1H2* C 2 H2' C 2 -5.135 5.808 -6.469 109 2HO* C 2 HO2' C 2 -5.322 6.875 -8.636 110 H1* C 2 H1' C 2 -5.693 8.464 -5.856 111 1H4 C 2 1H4 C 2 -5.355 5.667 0.108 112 2H4 C 2 2H4 C 2 -3.745 6.251 -0.263 113 H5 C 2 H5 C 2 -7.233 5.864 -1.493 114 H6 C 2 H6 C 2 -7.873 6.663 -3.652 115 1H5* C 3 1H5' C 3 -4.063 5.839 -9.592 116 2H5* C 3 2H5' C 3 -3.489 4.240 -10.051 117 H4* C 3 H4' C 3 -1.750 5.752 -9.107 118 H3* C 3 H3' C 3 -2.352 3.218 -7.508 119 1H2* C 3 H2' C 3 -0.263 3.665 -6.435 120 2HO* C 3 HO2' C 3 0.133 5.644 -8.429 121 H1* C 3 H1' C 3 -0.738 6.409 -6.340 122 1H4 C 3 1H4 C 3 -3.197 3.288 -0.986 123 2H4 C 3 2H4 C 3 -1.481 3.382 -0.677 124 H5 C 3 H5 C 3 -4.213 4.083 -3.006 125 H6 C 3 H6 C 3 -3.822 5.224 -5.144 126 1H5* A 4 1H5' A 4 1.849 3.374 -9.011 127 2H5* A 4 2H5' A 4 2.512 1.757 -9.249 128 H4* A 4 H4' A 4 3.781 3.347 -7.620 129 H3* A 4 H3' A 4 3.020 0.551 -6.938 130 1H2* A 4 H2' A 4 4.330 0.981 -4.856 131 2HO* A 4 HO2' A 4 5.109 3.364 -6.100 132 H1* A 4 H1' A 4 3.303 3.434 -4.371 133 H8 A 4 H8 A 4 0.167 1.920 -5.430 134 1H6 A 4 1H6 A 4 -0.539 0.841 0.646 135 2H6 A 4 2H6 A 4 -1.354 0.908 -0.907 136 H2 A 4 H2 A 4 3.762 1.743 -0.108 137 1H5* C 5 1H5' C 5 6.826 0.522 -5.470 138 2H5* C 5 2H5' C 5 7.628 -0.996 -5.915 139 H4* C 5 H4' C 5 7.349 -0.710 -3.432 140 H3* C 5 H3' C 5 6.007 -3.047 -4.837 141 1H2* C 5 1H2' C 5 6.029 -3.305 -1.957 142 2H2* C 5 2H2' C 5 4.709 -3.430 -3.191 143 H1* C 5 H1' C 5 5.622 -1.104 -1.562 144 1H4 C 5 1H4 C 5 -1.012 -2.009 -1.562 145 2H4 C 5 2H4 C 5 -0.430 -2.455 0.029 146 H5 C 5 H5 C 5 0.438 -1.241 -3.259 147 H6 C 5 H6 C 5 2.908 -0.855 -3.932 148 1H5* T 6 1H5' T 6 8.406 -3.350 -1.074 149 2H5* T 6 2H5' T 6 9.545 -4.714 -1.032 150 H4* T 6 H4' T 6 8.258 -4.425 1.169 151 H3* T 6 H3' T 6 8.596 -6.894 -0.301 152 1H2* T 6 1H2' T 6 6.385 -7.711 1.115 153 2H2* T 6 2H2' T 6 6.306 -7.182 -0.579 154 H1* T 6 H1' T 6 5.940 -5.562 1.984 155 H3 T 6 H3 T 6 1.412 -5.061 1.884 156 1H5M T 6 1H5M T 6 2.041 -4.562 -2.935 157 2H5M T 6 2H5M T 6 3.147 -5.925 -3.208 158 3H5M T 6 3H5M T 6 1.462 -6.231 -2.751 159 H6 T 6 H6 T 6 4.753 -5.786 -1.488 160 1H5* G 7 1H5' G 7 7.082 -6.700 4.251 161 2H5* G 7 2H5' G 7 7.897 -8.006 5.135 162 H4* G 7 H4' G 7 5.660 -7.859 5.977 163 H3* G 7 H3' G 7 6.525 -10.291 4.593 164 1H2* G 7 1H2' G 7 3.924 -10.966 4.394 165 2H2* G 7 2H2' G 7 4.863 -10.218 3.099 166 H1* G 7 H1' G 7 3.169 -8.809 5.192 167 H8 G 7 H8 G 7 3.918 -8.881 1.522 168 H1 G 7 H1 G 7 -2.203 -7.586 2.925 169 1H2 G 7 1H2 G 7 -1.105 -7.999 6.241 170 2H2 G 7 2H2 G 7 -2.470 -7.740 5.175 171 1H5* C 8 1H5' C3' 8 3.080 -11.160 8.865 172 2H5* C 8 2H5' C3' 8 3.016 -9.810 7.753 173 H4* C 8 H4' C3' 8 0.748 -10.451 8.514 174 H3* C 8 H3' C3' 8 1.469 -13.255 7.676 175 1H2* C 8 1H2' C3' 8 -1.315 -12.830 7.118 176 2H2* C 8 2H2' C3' 8 -0.003 -13.276 5.974 177 H1* C 8 H1' C3' 8 -1.211 -10.593 6.588 178 1H4 C 8 1H4 C3' 8 -0.096 -11.167 0.014 179 2H4 C 8 2H4 C3' 8 -1.789 -10.770 0.206 180 H5 C 8 H5 C3' 8 1.392 -11.621 1.936 181 H6 C 8 H6 C3' 8 1.498 -11.662 4.359 182 H3T C 8 HO3' C3' 8 -0.580 -12.050 9.228 Start of MODEL 2 1 1H5* G 1 1H5' G5' 1 -11.157 -10.101 -3.256 2 2H5* G 1 2H5' G5' 1 -12.635 -9.857 -2.306 3 H4* G 1 H4' G5' 1 -11.203 -10.704 -0.262 4 H3* G 1 H3' G5' 1 -11.601 -7.964 -1.241 5 1H2* G 1 1H2' G5' 1 -9.348 -7.442 0.310 6 2H2* G 1 2H2' G5' 1 -9.328 -7.537 -1.455 7 H1* G 1 H1' G5' 1 -8.887 -9.740 0.603 8 H8 G 1 H8 G5' 1 -7.389 -9.117 -2.963 9 H1 G 1 H1 G5' 1 -3.145 -10.172 1.753 10 1H2 G 1 1H2 G5' 1 -5.989 -10.250 3.807 11 2H2 G 1 2H2 G5' 1 -4.248 -10.406 3.720 12 H5T G 1 H5' G5' 1 -12.407 -12.025 -1.610 13 1H5* C 2 1H5' C 2 -10.231 -9.090 3.179 14 2H5* C 2 2H5' C 2 -11.093 -8.021 4.306 15 H4* C 2 H4' C 2 -8.777 -8.357 5.104 16 H3* C 2 H3' C 2 -9.910 -5.759 4.694 17 1H2* C 2 1H2' C 2 -7.471 -4.744 4.091 18 2H2* C 2 2H2' C 2 -8.482 -5.424 2.832 19 H1* C 2 H1' C 2 -6.476 -7.009 4.523 20 1H4 C 2 1H4 C 2 -3.584 -6.157 -1.489 21 2H4 C 2 2H4 C 2 -2.339 -6.638 -0.350 22 H5 C 2 H5 C 2 -5.972 -5.945 -0.810 23 H6 C 2 H6 C 2 -7.498 -6.165 1.056 24 1H5* A 3 1H5' A 3 -6.360 -7.008 7.751 25 2H5* A 3 2H5' A 3 -6.693 -6.003 9.175 26 H4* A 3 H4' A 3 -4.285 -6.606 9.071 27 H3* A 3 H3' A 3 -5.237 -4.006 9.504 28 1H2* A 3 1H2' A 3 -3.260 -2.857 8.086 29 2H2* A 3 2H2' A 3 -4.777 -3.306 7.274 30 H1* A 3 H1' A 3 -2.230 -4.970 7.474 31 H8 A 3 H8 A 3 -5.133 -4.223 5.025 32 1H6 A 3 1H6 A 3 -0.826 -4.343 0.566 33 2H6 A 3 2H6 A 3 -2.527 -4.098 0.915 34 H2 A 3 H2 A 3 1.212 -4.995 4.481 35 1H5* G 4 1H5' G 4 -0.477 -4.804 9.610 36 2H5* G 4 2H5' G 4 0.149 -3.881 10.996 37 H4* G 4 H4' G 4 1.767 -3.793 9.173 38 H3* G 4 H3' G 4 0.432 -1.299 10.091 39 1H2* G 4 1H2' G 4 1.957 -0.409 7.901 40 2H2* G 4 2H2' G 4 0.173 -0.491 8.000 41 H1* G 4 H1' G 4 2.193 -2.469 6.918 42 H8 G 4 H8 G 4 -1.543 -1.679 6.379 43 H1 G 4 H1 G 4 2.089 -1.629 1.075 44 1H2 G 4 1H2 G 4 4.738 -2.054 3.362 45 2H2 G 4 2H2 G 4 4.281 -1.866 1.683 46 1H5* T 5 1H5' T 5 4.622 -1.205 8.247 47 2H5* T 5 2H5' T 5 5.724 -0.103 9.095 48 H4* T 5 H4' T 5 6.000 0.197 6.709 49 H3* T 5 H3' T 5 4.941 2.427 8.347 50 1H2* T 5 1H2' T 5 4.577 3.580 5.880 51 2H2* T 5 2H2' T 5 3.300 2.925 6.924 52 H1* T 5 H1' T 5 4.875 1.559 4.731 53 H3 T 5 H3 T 5 1.593 1.463 1.564 54 1H5M T 5 1H5M T 5 -1.195 2.876 5.513 55 2H5M T 5 2H5M T 5 -1.747 1.317 4.869 56 3H5M T 5 3H5M T 5 -0.835 1.371 6.387 57 H6 T 5 H6 T 5 1.552 1.717 6.362 58 1H5* G 6 1H5' G 6 7.620 3.071 4.400 59 2H5* G 6 2H5' G 6 8.672 4.476 4.679 60 H4* G 6 H4' G 6 7.813 4.556 2.379 61 H3* G 6 H3' G 6 7.247 6.700 4.296 62 1H2* G 6 1H2' G 6 5.402 7.470 2.398 63 2H2* G 6 2H2' G 6 5.009 6.639 3.928 64 H1* G 6 H1' G 6 5.515 5.489 1.175 65 H8 G 6 H8 G 6 3.299 5.009 4.291 66 H1 G 6 H1 G 6 0.335 4.404 -1.384 67 1H2 G 6 1H2 G 6 3.499 5.181 -2.672 68 2H2 G 6 2H2 G 6 1.819 4.853 -3.030 69 1H5* G 7 1H5' G 7 7.255 6.943 -0.472 70 2H5* G 7 2H5' G 7 8.087 8.440 -0.943 71 H4* G 7 H4' G 7 6.244 8.056 -2.519 72 H3* G 7 H3' G 7 6.441 10.467 -0.913 73 1H2* G 7 1H2' G 7 3.785 10.761 -1.443 74 2H2* G 7 2H2' G 7 4.319 10.045 0.092 75 H1* G 7 H1' G 7 3.560 8.627 -2.495 76 H8 G 7 H8 G 7 3.179 8.107 1.340 77 H1 G 7 H1 G 7 -2.227 7.263 -2.005 78 1H2 G 7 1H2 G 7 -0.288 8.310 -4.740 79 2H2 G 7 2H2 G 7 -1.881 7.871 -4.154 80 1H5* C 8 1H5' C3' 8 3.895 11.522 -5.650 81 2H5* C 8 2H5' C3' 8 3.566 10.119 -4.638 82 H4* C 8 H4' C3' 8 1.600 11.021 -5.919 83 H3* C 8 H3' C3' 8 2.163 13.541 -4.378 84 1H2* C 8 1H2' C3' 8 -0.693 13.358 -4.416 85 2H2* C 8 2H2' C3' 8 0.402 13.283 -3.006 86 H1* C 8 H1' C3' 8 -0.743 11.011 -4.651 87 1H4 C 8 1H4 C3' 8 -1.813 9.864 1.871 88 2H4 C 8 2H4 C3' 8 -3.369 9.747 1.077 89 H5 C 8 H5 C3' 8 0.266 10.507 0.658 90 H6 C 8 H6 C3' 8 1.130 11.151 -1.513 91 H3T C 8 HO3' C3' 8 0.440 12.841 -6.532 92 1H5* G 1 1H5' G5' 1 -14.077 8.079 -0.291 93 2H5* G 1 2H5' G5' 1 -12.662 7.052 0.010 94 H4* G 1 H4' G5' 1 -13.240 8.514 -2.509 95 H3* G 1 H3' G5' 1 -11.025 6.561 -1.784 96 1H2* G 1 H2' G5' 1 -9.644 7.855 -3.343 97 2HO* G 1 HO2' G5' 1 -11.447 8.262 -4.792 98 H1* G 1 H1' G5' 1 -10.247 10.181 -2.303 99 H8 G 1 H8 G5' 1 -10.347 8.101 0.793 100 H1 G 1 H1 G5' 1 -4.557 10.251 -1.007 101 1H2 G 1 1H2 G5' 1 -6.206 11.010 -4.018 102 2H2 G 1 2H2 G5' 1 -4.692 11.025 -3.141 103 H5T G 1 H5' G5' 1 -13.411 5.695 -1.695 104 1H5* C 2 1H5' C 2 -10.323 7.173 -6.030 105 2H5* C 2 2H5' C 2 -9.905 5.595 -6.713 106 H4* C 2 H4' C 2 -8.070 7.313 -6.958 107 H3* C 2 H3' C 2 -7.617 4.802 -5.324 108 1H2* C 2 H2' C 2 -5.490 5.463 -4.907 109 2HO* C 2 HO2' C 2 -5.751 7.151 -7.210 110 H1* C 2 H1' C 2 -5.885 8.266 -5.129 111 1H4 C 2 1H4 C 2 -5.195 5.777 1.051 112 2H4 C 2 2H4 C 2 -3.584 6.206 0.508 113 H5 C 2 H5 C 2 -7.198 6.122 -0.376 114 H6 C 2 H6 C 2 -7.957 6.898 -2.525 115 1H5* C 3 1H5' C 3 -4.491 5.603 -8.898 116 2H5* C 3 2H5' C 3 -4.032 3.990 -9.462 117 H4* C 3 H4' C 3 -2.065 5.420 -9.282 118 H3* C 3 H3' C 3 -2.211 3.160 -7.251 119 1H2* C 3 H2' C 3 0.053 3.744 -6.693 120 2HO* C 3 HO2' C 3 1.173 5.312 -7.818 121 H1* C 3 H1' C 3 -0.433 6.409 -6.500 122 1H4 C 3 1H4 C 3 -3.185 3.691 -1.098 123 2H4 C 3 2H4 C 3 -1.472 3.627 -0.765 124 H5 C 3 H5 C 3 -4.108 4.464 -3.225 125 H6 C 3 H6 C 3 -3.545 5.381 -5.388 126 1H5* A 4 1H5' A 4 1.725 3.061 -9.158 127 2H5* A 4 2H5' A 4 2.241 1.388 -9.384 128 H4* A 4 H4' A 4 3.798 2.817 -7.943 129 H3* A 4 H3' A 4 2.582 0.249 -6.902 130 1H2* A 4 H2' A 4 3.909 0.603 -4.918 131 2HO* A 4 HO2' A 4 5.762 1.261 -5.146 132 H1* A 4 H1' A 4 3.506 3.163 -4.642 133 H8 A 4 H8 A 4 0.083 1.899 -5.576 134 1H6 A 4 1H6 A 4 -0.590 0.972 0.506 135 2H6 A 4 2H6 A 4 -1.407 1.040 -1.046 136 H2 A 4 H2 A 4 3.741 1.703 -0.290 137 1H5* C 5 1H5' C 5 6.838 -0.065 -6.184 138 2H5* C 5 2H5' C 5 7.396 -1.728 -6.426 139 H4* C 5 H4' C 5 7.532 -0.836 -3.961 140 H3* C 5 H3' C 5 6.326 -3.415 -4.876 141 1H2* C 5 1H2' C 5 6.195 -3.202 -2.004 142 2H2* C 5 2H2' C 5 4.912 -3.544 -3.236 143 H1* C 5 H1' C 5 5.691 -1.007 -1.872 144 1H4 C 5 1H4 C 5 -0.940 -1.866 -2.245 145 2H4 C 5 2H4 C 5 -0.489 -2.053 -0.559 146 H5 C 5 H5 C 5 0.768 -1.487 -4.029 147 H6 C 5 H6 C 5 3.116 -1.294 -4.451 148 1H5* T 6 1H5' T 6 8.429 -3.043 -0.895 149 2H5* T 6 2H5' T 6 9.631 -4.322 -0.617 150 H4* T 6 H4' T 6 8.167 -3.873 1.446 151 H3* T 6 H3' T 6 8.763 -6.458 0.307 152 1H2* T 6 1H2' T 6 6.485 -7.264 1.609 153 2H2* T 6 2H2' T 6 6.518 -6.912 -0.133 154 H1* T 6 H1' T 6 5.853 -5.067 2.213 155 H3 T 6 H3 T 6 1.339 -4.779 1.683 156 1H5M T 6 1H5M T 6 3.566 -5.892 -3.162 157 2H5M T 6 2H5M T 6 1.870 -6.289 -2.827 158 3H5M T 6 3H5M T 6 2.352 -4.598 -3.078 159 H6 T 6 H6 T 6 4.988 -5.687 -1.293 160 1H5* G 7 1H5' G 7 6.789 -5.955 4.700 161 2H5* G 7 2H5' G 7 7.619 -7.116 5.754 162 H4* G 7 H4' G 7 5.319 -7.107 6.398 163 H3* G 7 H3' G 7 6.485 -9.544 5.270 164 1H2* G 7 1H2' G 7 3.973 -10.449 4.927 165 2H2* G 7 2H2' G 7 4.951 -9.718 3.647 166 H1* G 7 H1' G 7 2.975 -8.310 5.477 167 H8 G 7 H8 G 7 4.062 -8.538 1.908 168 H1 G 7 H1 G 7 -2.228 -7.545 2.678 169 1H2 G 7 1H2 G 7 -1.431 -7.828 6.096 170 2H2 G 7 2H2 G 7 -2.701 -7.648 4.904 171 1H5* C 8 1H5' C3' 8 2.754 -9.385 8.452 172 2H5* C 8 2H5' C3' 8 2.782 -10.879 9.401 173 H4* C 8 H4' C3' 8 0.475 -10.153 8.820 174 H3* C 8 H3' C3' 8 1.566 -12.834 8.067 175 1H2* C 8 1H2' C3' 8 -1.214 -12.724 7.282 176 2H2* C 8 2H2' C3' 8 0.222 -13.053 6.255 177 H1* C 8 H1' C3' 8 -1.267 -10.480 6.744 178 1H4 C 8 1H4 C3' 8 0.236 -11.103 0.254 179 2H4 C 8 2H4 C3' 8 -1.489 -10.837 0.340 180 H5 C 8 H5 C3' 8 1.648 -11.383 2.253 181 H6 C 8 H6 C3' 8 1.639 -11.348 4.668 182 H3T C 8 HO3' C3' 8 0.636 -12.298 10.099 Start of MODEL 3 1 1H5* G 1 1H5' G5' 1 -11.114 -9.936 -3.345 2 2H5* G 1 2H5' G5' 1 -12.601 -9.716 -2.402 3 H4* G 1 H4' G5' 1 -11.201 -10.581 -0.358 4 H3* G 1 H3' G5' 1 -11.548 -7.825 -1.303 5 1H2* G 1 1H2' G5' 1 -9.298 -7.353 0.266 6 2H2* G 1 2H2' G5' 1 -9.260 -7.431 -1.500 7 H1* G 1 H1' G5' 1 -8.877 -9.659 0.543 8 H8 G 1 H8 G5' 1 -7.336 -9.039 -3.002 9 H1 G 1 H1 G5' 1 -3.157 -10.171 1.756 10 1H2 G 1 1H2 G5' 1 -6.030 -10.194 3.778 11 2H2 G 1 2H2 G5' 1 -4.290 -10.378 3.714 12 H5T G 1 H5' G5' 1 -11.018 -12.063 -2.516 13 1H5* C 2 1H5' C 2 -10.210 -9.018 3.126 14 2H5* C 2 2H5' C 2 -11.075 -7.949 4.250 15 H4* C 2 H4' C 2 -8.774 -8.312 5.078 16 H3* C 2 H3' C 2 -9.877 -5.705 4.677 17 1H2* C 2 1H2' C 2 -7.431 -4.702 4.091 18 2H2* C 2 2H2' C 2 -8.437 -5.372 2.823 19 H1* C 2 H1' C 2 -6.449 -6.974 4.520 20 1H4 C 2 1H4 C 2 -3.529 -6.141 -1.481 21 2H4 C 2 2H4 C 2 -2.291 -6.634 -0.340 22 H5 C 2 H5 C 2 -5.914 -5.903 -0.808 23 H6 C 2 H6 C 2 -7.447 -6.109 1.052 24 1H5* A 3 1H5' A 3 -6.348 -6.973 7.781 25 2H5* A 3 2H5' A 3 -6.694 -5.955 9.193 26 H4* A 3 H4' A 3 -4.284 -6.558 9.117 27 H3* A 3 H3' A 3 -5.241 -3.955 9.520 28 1H2* A 3 1H2' A 3 -3.252 -2.819 8.109 29 2H2* A 3 2H2' A 3 -4.763 -3.274 7.289 30 H1* A 3 H1' A 3 -2.216 -4.936 7.520 31 H8 A 3 H8 A 3 -5.106 -4.196 5.057 32 1H6 A 3 1H6 A 3 -0.796 -4.359 0.605 33 2H6 A 3 2H6 A 3 -2.496 -4.103 0.953 34 H2 A 3 H2 A 3 1.235 -5.009 4.525 35 1H5* G 4 1H5' G 4 -0.494 -4.759 9.661 36 2H5* G 4 2H5' G 4 0.134 -3.828 11.041 37 H4* G 4 H4' G 4 1.758 -3.770 9.220 38 H3* G 4 H3' G 4 0.444 -1.258 10.115 39 1H2* G 4 1H2' G 4 1.975 -0.399 7.918 40 2H2* G 4 2H2' G 4 0.190 -0.467 8.016 41 H1* G 4 H1' G 4 2.198 -2.469 6.953 42 H8 G 4 H8 G 4 -1.530 -1.652 6.402 43 H1 G 4 H1 G 4 2.111 -1.661 1.104 44 1H2 G 4 1H2 G 4 4.752 -2.096 3.397 45 2H2 G 4 2H2 G 4 4.299 -1.910 1.717 46 1H5* T 5 1H5' T 5 4.628 -1.208 8.260 47 2H5* T 5 2H5' T 5 5.742 -0.106 9.093 48 H4* T 5 H4' T 5 6.006 0.172 6.703 49 H3* T 5 H3' T 5 4.978 2.422 8.328 50 1H2* T 5 1H2' T 5 4.595 3.561 5.859 51 2H2* T 5 2H2' T 5 3.325 2.918 6.919 52 H1* T 5 H1' T 5 4.875 1.530 4.721 53 H3 T 5 H3 T 5 1.570 1.432 1.581 54 1H5M T 5 1H5M T 5 -1.182 2.886 5.539 55 2H5M T 5 2H5M T 5 -1.747 1.324 4.911 56 3H5M T 5 3H5M T 5 -0.823 1.385 6.421 57 H6 T 5 H6 T 5 1.566 1.719 6.376 58 1H5* G 6 1H5' G 6 7.631 3.049 4.339 59 2H5* G 6 2H5' G 6 8.685 4.452 4.619 60 H4* G 6 H4' G 6 7.816 4.550 2.326 61 H3* G 6 H3' G 6 7.256 6.680 4.260 62 1H2* G 6 1H2' G 6 5.401 7.460 2.376 63 2H2* G 6 2H2' G 6 5.016 6.620 3.901 64 H1* G 6 H1' G 6 5.507 5.488 1.138 65 H8 G 6 H8 G 6 3.313 4.983 4.266 66 H1 G 6 H1 G 6 0.313 4.382 -1.390 67 1H2 G 6 1H2 G 6 3.459 5.186 -2.700 68 2H2 G 6 2H2 G 6 1.777 4.849 -3.045 69 1H5* G 7 1H5' G 7 7.248 6.965 -0.503 70 2H5* G 7 2H5' G 7 8.069 8.470 -0.966 71 H4* G 7 H4' G 7 6.220 8.088 -2.534 72 H3* G 7 H3' G 7 6.406 10.486 -0.906 73 1H2* G 7 1H2' G 7 3.746 10.767 -1.434 74 2H2* G 7 2H2' G 7 4.289 10.047 0.095 75 H1* G 7 H1' G 7 3.535 8.636 -2.497 76 H8 G 7 H8 G 7 3.169 8.104 1.337 77 H1 G 7 H1 G 7 -2.240 7.218 -1.993 78 1H2 G 7 1H2 G 7 -0.316 8.276 -4.734 79 2H2 G 7 2H2 G 7 -1.904 7.823 -4.143 80 1H5* C 8 1H5' C3' 8 3.848 11.566 -5.633 81 2H5* C 8 2H5' C3' 8 3.541 10.146 -4.637 82 H4* C 8 H4' C3' 8 1.561 11.040 -5.904 83 H3* C 8 H3' C3' 8 2.095 13.542 -4.321 84 1H2* C 8 1H2' C3' 8 -0.762 13.320 -4.405 85 2H2* C 8 2H2' C3' 8 0.316 13.262 -2.980 86 H1* C 8 H1' C3' 8 -0.779 10.978 -4.639 87 1H4 C 8 1H4 C3' 8 -1.858 9.821 1.881 88 2H4 C 8 2H4 C3' 8 -3.410 9.693 1.080 89 H5 C 8 H5 C3' 8 0.224 10.475 0.671 90 H6 C 8 H6 C3' 8 1.086 11.134 -1.497 91 H3T C 8 HO3' C3' 8 0.770 14.321 -5.994 92 1H5* G 1 1H5' G5' 1 -14.059 6.674 -1.259 93 2H5* G 1 2H5' G5' 1 -14.047 8.180 -0.319 94 H4* G 1 H4' G5' 1 -13.278 8.538 -2.631 95 H3* G 1 H3' G5' 1 -11.084 6.566 -1.852 96 1H2* G 1 H2' G5' 1 -9.682 7.800 -3.362 97 2HO* G 1 HO2' G5' 1 -11.997 9.241 -4.076 98 H1* G 1 H1' G5' 1 -10.301 10.181 -2.428 99 H8 G 1 H8 G5' 1 -10.430 8.219 0.735 100 H1 G 1 H1 G5' 1 -4.611 10.251 -1.107 101 1H2 G 1 1H2 G5' 1 -6.243 10.924 -4.152 102 2H2 G 1 2H2 G5' 1 -4.733 10.963 -3.270 103 H5T G 1 H5' G5' 1 -12.175 6.057 -0.217 104 1H5* C 2 1H5' C 2 -10.372 7.086 -6.068 105 2H5* C 2 2H5' C 2 -9.957 5.496 -6.725 106 H4* C 2 H4' C 2 -8.102 7.182 -6.978 107 H3* C 2 H3' C 2 -7.677 4.722 -5.257 108 1H2* C 2 H2' C 2 -5.539 5.377 -4.892 109 2HO* C 2 HO2' C 2 -4.462 6.957 -6.268 110 H1* C 2 H1' C 2 -5.933 8.173 -5.169 111 1H4 C 2 1H4 C 2 -5.210 5.875 1.071 112 2H4 C 2 2H4 C 2 -3.595 6.247 0.499 113 H5 C 2 H5 C 2 -7.216 6.195 -0.346 114 H6 C 2 H6 C 2 -7.989 6.905 -2.510 115 1H5* C 3 1H5' C 3 -4.607 5.418 -8.868 116 2H5* C 3 2H5' C 3 -4.100 3.805 -9.383 117 H4* C 3 H4' C 3 -2.198 5.334 -9.278 118 H3* C 3 H3' C 3 -2.193 3.093 -7.217 119 1H2* C 3 H2' C 3 0.081 3.790 -6.750 120 2HO* C 3 HO2' C 3 0.376 4.434 -9.081 121 H1* C 3 H1' C 3 -0.544 6.407 -6.505 122 1H4 C 3 1H4 C 3 -3.185 3.616 -1.089 123 2H4 C 3 2H4 C 3 -1.470 3.601 -0.760 124 H5 C 3 H5 C 3 -4.136 4.343 -3.217 125 H6 C 3 H6 C 3 -3.607 5.255 -5.386 126 1H5* A 4 1H5' A 4 1.749 3.079 -9.108 127 2H5* A 4 2H5' A 4 2.264 1.408 -9.353 128 H4* A 4 H4' A 4 3.815 2.820 -7.900 129 H3* A 4 H3' A 4 2.589 0.253 -6.865 130 1H2* A 4 H2' A 4 3.917 0.603 -4.878 131 2HO* A 4 HO2' A 4 5.771 1.260 -5.109 132 H1* A 4 H1' A 4 3.513 3.162 -4.599 133 H8 A 4 H8 A 4 0.088 1.925 -5.554 134 1H6 A 4 1H6 A 4 -0.604 0.936 0.519 135 2H6 A 4 2H6 A 4 -1.417 1.016 -1.033 136 H2 A 4 H2 A 4 3.728 1.678 -0.258 137 1H5* C 5 1H5' C 5 6.848 -0.062 -6.150 138 2H5* C 5 2H5' C 5 7.407 -1.725 -6.396 139 H4* C 5 H4' C 5 7.547 -0.836 -3.929 140 H3* C 5 H3' C 5 6.344 -3.414 -4.848 141 1H2* C 5 1H2' C 5 6.215 -3.209 -1.976 142 2H2* C 5 2H2' C 5 4.932 -3.549 -3.208 143 H1* C 5 H1' C 5 5.706 -1.015 -1.837 144 1H4 C 5 1H4 C 5 -0.923 -1.898 -2.216 145 2H4 C 5 2H4 C 5 -0.471 -2.087 -0.531 146 H5 C 5 H5 C 5 0.785 -1.497 -3.997 147 H6 C 5 H6 C 5 3.133 -1.297 -4.417 148 1H5* T 6 1H5' T 6 8.458 -3.068 -0.860 149 2H5* T 6 2H5' T 6 9.655 -4.354 -0.598 150 H4* T 6 H4' T 6 8.197 -3.919 1.473 151 H3* T 6 H3' T 6 8.779 -6.496 0.308 152 1H2* T 6 1H2' T 6 6.501 -7.303 1.611 153 2H2* T 6 2H2' T 6 6.531 -6.937 -0.127 154 H1* T 6 H1' T 6 5.881 -5.107 2.236 155 H3 T 6 H3 T 6 1.364 -4.813 1.723 156 1H5M T 6 1H5M T 6 2.353 -4.600 -3.039 157 2H5M T 6 2H5M T 6 3.578 -5.883 -3.138 158 3H5M T 6 3H5M T 6 1.887 -6.296 -2.800 159 H6 T 6 H6 T 6 5.004 -5.696 -1.273 160 1H5* G 7 1H5' G 7 6.829 -6.042 4.725 161 2H5* G 7 2H5' G 7 7.662 -7.224 5.754 162 H4* G 7 H4' G 7 5.368 -7.221 6.415 163 H3* G 7 H3' G 7 6.508 -9.644 5.228 164 1H2* G 7 1H2' G 7 3.981 -10.519 4.879 165 2H2* G 7 2H2' G 7 4.960 -9.769 3.617 166 H1* G 7 H1' G 7 3.010 -8.387 5.498 167 H8 G 7 H8 G 7 4.068 -8.562 1.910 168 H1 G 7 H1 G 7 -2.210 -7.544 2.714 169 1H2 G 7 1H2 G 7 -1.409 -7.825 6.128 170 2H2 G 7 2H2 G 7 -2.677 -7.638 4.935 171 1H5* C 8 1H5' C3' 8 2.833 -10.599 9.278 172 2H5* C 8 2H5' C3' 8 2.756 -9.301 8.106 173 H4* C 8 H4' C3' 8 0.493 -10.082 8.739 174 H3* C 8 H3' C3' 8 1.471 -12.853 8.063 175 1H2* C 8 1H2' C3' 8 -1.293 -12.651 7.302 176 2H2* C 8 2H2' C3' 8 0.123 -13.043 6.269 177 H1* C 8 H1' C3' 8 -1.307 -10.432 6.690 178 1H4 C 8 1H4 C3' 8 0.316 -11.119 0.237 179 2H4 C 8 2H4 C3' 8 -1.407 -10.826 0.292 180 H5 C 8 H5 C3' 8 1.683 -11.430 2.270 181 H6 C 8 H6 C3' 8 1.620 -11.391 4.694 182 H3T C 8 HO3' C3' 8 -0.759 -11.752 9.429 Start of MODEL 4 1 1H5* G 1 1H5' G5' 1 -11.049 -10.232 -3.206 2 2H5* G 1 2H5' G5' 1 -12.538 -10.017 -2.265 3 H4* G 1 H4' G5' 1 -11.122 -10.820 -0.207 4 H3* G 1 H3' G5' 1 -11.508 -8.088 -1.207 5 1H2* G 1 1H2' G5' 1 -9.264 -7.556 0.353 6 2H2* G 1 2H2' G5' 1 -9.228 -7.665 -1.410 7 H1* G 1 H1' G5' 1 -8.808 -9.850 0.671 8 H8 G 1 H8 G5' 1 -7.286 -9.268 -2.890 9 H1 G 1 H1 G5' 1 -3.078 -10.287 1.867 10 1H2 G 1 1H2 G5' 1 -5.943 -10.320 3.900 11 2H2 G 1 2H2 G5' 1 -4.202 -10.486 3.832 12 H5T G 1 H5' G5' 1 -10.918 -12.341 -2.335 13 1H5* C 2 1H5' C 2 -10.159 -9.189 3.227 14 2H5* C 2 2H5' C 2 -11.029 -8.116 4.343 15 H4* C 2 H4' C 2 -8.719 -8.450 5.162 16 H3* C 2 H3' C 2 -9.850 -5.856 4.742 17 1H2* C 2 1H2' C 2 -7.414 -4.837 4.139 18 2H2* C 2 2H2' C 2 -8.419 -5.526 2.881 19 H1* C 2 H1' C 2 -6.411 -7.097 4.584 20 1H4 C 2 1H4 C 2 -3.520 -6.289 -1.435 21 2H4 C 2 2H4 C 2 -2.274 -6.758 -0.293 22 H5 C 2 H5 C 2 -5.905 -6.068 -0.756 23 H6 C 2 H6 C 2 -7.429 -6.270 1.113 24 1H5* A 3 1H5' A 3 -6.303 -7.088 7.813 25 2H5* A 3 2H5' A 3 -6.640 -6.077 9.232 26 H4* A 3 H4' A 3 -4.230 -6.676 9.134 27 H3* A 3 H3' A 3 -5.190 -4.079 9.562 28 1H2* A 3 1H2' A 3 -3.218 -2.926 8.142 29 2H2* A 3 2H2' A 3 -4.733 -3.382 7.331 30 H1* A 3 H1' A 3 -2.179 -5.035 7.533 31 H8 A 3 H8 A 3 -5.089 -4.303 5.090 32 1H6 A 3 1H6 A 3 -0.799 -4.434 0.616 33 2H6 A 3 2H6 A 3 -2.499 -4.193 0.971 34 H2 A 3 H2 A 3 1.256 -5.061 4.528 35 1H5* G 4 1H5' G 4 -0.432 -4.858 9.658 36 2H5* G 4 2H5' G 4 0.199 -3.931 11.039 37 H4* G 4 H4' G 4 1.808 -3.842 9.208 38 H3* G 4 H3' G 4 0.475 -1.350 10.127 39 1H2* G 4 1H2' G 4 1.967 -0.458 7.919 40 2H2* G 4 2H2' G 4 0.185 -0.559 8.033 41 H1* G 4 H1' G 4 2.219 -2.525 6.948 42 H8 G 4 H8 G 4 -1.520 -1.743 6.422 43 H1 G 4 H1 G 4 2.089 -1.696 1.102 44 1H2 G 4 1H2 G 4 4.748 -2.112 3.378 45 2H2 G 4 2H2 G 4 4.283 -1.923 1.702 46 1H5* T 5 1H5' T 5 4.640 -1.274 8.226 47 2H5* T 5 2H5' T 5 5.760 -0.173 9.052 48 H4* T 5 H4' T 5 6.008 0.104 6.660 49 H3* T 5 H3' T 5 4.993 2.355 8.293 50 1H2* T 5 1H2' T 5 4.596 3.497 5.827 51 2H2* T 5 2H2' T 5 3.332 2.853 6.893 52 H1* T 5 H1' T 5 4.870 1.462 4.688 53 H3 T 5 H3 T 5 1.551 1.389 1.563 54 1H5M T 5 1H5M T 5 -0.820 1.304 6.412 55 2H5M T 5 2H5M T 5 -1.182 2.815 5.549 56 3H5M T 5 3H5M T 5 -1.751 1.260 4.906 57 H6 T 5 H6 T 5 1.570 1.654 6.359 58 1H5* G 6 1H5' G 6 7.615 2.985 4.282 59 2H5* G 6 2H5' G 6 8.679 4.379 4.566 60 H4* G 6 H4' G 6 7.806 4.505 2.281 61 H3* G 6 H3' G 6 7.243 6.614 4.239 62 1H2* G 6 1H2' G 6 5.396 7.415 2.355 63 2H2* G 6 2H2' G 6 5.003 6.562 3.873 64 H1* G 6 H1' G 6 5.491 5.455 1.101 65 H8 G 6 H8 G 6 3.305 4.911 4.229 66 H1 G 6 H1 G 6 0.301 4.328 -1.429 67 1H2 G 6 1H2 G 6 3.443 5.157 -2.738 68 2H2 G 6 2H2 G 6 1.764 4.805 -3.084 69 1H5* G 7 1H5' G 7 7.284 7.000 -0.529 70 2H5* G 7 2H5' G 7 8.088 8.527 -0.950 71 H4* G 7 H4' G 7 6.237 8.165 -2.528 72 H3* G 7 H3' G 7 6.405 10.522 -0.841 73 1H2* G 7 1H2' G 7 3.733 10.787 -1.341 74 2H2* G 7 2H2' G 7 4.317 10.023 0.163 75 H1* G 7 H1' G 7 3.555 8.687 -2.467 76 H8 G 7 H8 G 7 3.154 8.073 1.352 77 H1 G 7 H1 G 7 -2.195 7.212 -2.071 78 1H2 G 7 1H2 G 7 -0.235 8.319 -4.768 79 2H2 G 7 2H2 G 7 -1.830 7.858 -4.206 80 1H5* C 8 1H5' C3' 8 3.651 10.398 -4.791 81 2H5* C 8 2H5' C3' 8 3.794 11.987 -5.560 82 H4* C 8 H4' C3' 8 1.548 11.167 -5.789 83 H3* C 8 H3' C3' 8 2.088 13.669 -4.291 84 1H2* C 8 1H2' C3' 8 -0.737 13.419 -3.977 85 2H2* C 8 2H2' C3' 8 0.500 13.223 -2.692 86 H1* C 8 H1' C3' 8 -0.725 11.090 -4.475 87 1H4 C 8 1H4 C3' 8 -2.118 9.600 1.902 88 2H4 C 8 2H4 C3' 8 -3.635 9.564 1.031 89 H5 C 8 H5 C3' 8 0.037 10.267 0.833 90 H6 C 8 H6 C3' 8 1.021 11.002 -1.227 91 H3T C 8 HO3' C3' 8 0.157 12.893 -6.230 92 1H5* G 1 1H5' G5' 1 -14.640 9.349 -1.531 93 2H5* G 1 2H5' G5' 1 -14.701 7.916 -2.577 94 H4* G 1 H4' G5' 1 -13.032 9.593 -3.362 95 H3* G 1 H3' G5' 1 -11.865 6.982 -2.289 96 1H2* G 1 H2' G5' 1 -9.830 7.709 -3.141 97 2HO* G 1 HO2' G5' 1 -9.621 9.425 -4.573 98 H1* G 1 H1' G5' 1 -10.271 10.418 -2.557 99 H8 G 1 H8 G5' 1 -10.692 8.380 0.548 100 H1 G 1 H1 G5' 1 -4.709 10.324 -0.822 101 1H2 G 1 1H2 G5' 1 -6.121 11.158 -3.927 102 2H2 G 1 2H2 G5' 1 -4.671 11.111 -2.949 103 H5T G 1 H5' G5' 1 -13.266 8.139 -0.137 104 1H5* C 2 1H5' C 2 -10.194 7.679 -6.482 105 2H5* C 2 2H5' C 2 -9.807 6.081 -7.112 106 H4* C 2 H4' C 2 -7.867 7.637 -7.059 107 H3* C 2 H3' C 2 -7.740 5.128 -5.352 108 1H2* C 2 H2' C 2 -5.554 5.621 -4.924 109 2HO* C 2 HO2' C 2 -4.924 6.121 -7.149 110 H1* C 2 H1' C 2 -5.805 8.443 -5.120 111 1H4 C 2 1H4 C 2 -5.237 6.046 1.079 112 2H4 C 2 2H4 C 2 -3.605 6.364 0.526 113 H5 C 2 H5 C 2 -7.215 6.434 -0.359 114 H6 C 2 H6 C 2 -7.932 7.194 -2.522 115 1H5* C 3 1H5' C 3 -4.574 5.438 -8.993 116 2H5* C 3 2H5' C 3 -4.140 3.772 -9.397 117 H4* C 3 H4' C 3 -2.178 5.259 -9.326 118 H3* C 3 H3' C 3 -2.301 3.061 -7.231 119 1H2* C 3 H2' C 3 -0.034 3.667 -6.698 120 2HO* C 3 HO2' C 3 -0.175 5.436 -8.907 121 H1* C 3 H1' C 3 -0.514 6.334 -6.576 122 1H4 C 3 1H4 C 3 -3.250 3.728 -1.101 123 2H4 C 3 2H4 C 3 -1.536 3.606 -0.793 124 H5 C 3 H5 C 3 -4.178 4.552 -3.210 125 H6 C 3 H6 C 3 -3.613 5.436 -5.385 126 1H5* A 4 1H5' A 4 1.621 2.921 -9.167 127 2H5* A 4 2H5' A 4 2.139 1.245 -9.361 128 H4* A 4 H4' A 4 3.700 2.718 -7.964 129 H3* A 4 H3' A 4 2.518 0.152 -6.878 130 1H2* A 4 H2' A 4 3.853 0.543 -4.905 131 2HO* A 4 HO2' A 4 5.701 1.206 -5.164 132 H1* A 4 H1' A 4 3.432 3.101 -4.657 133 H8 A 4 H8 A 4 0.005 1.840 -5.558 134 1H6 A 4 1H6 A 4 -0.626 0.896 0.524 135 2H6 A 4 2H6 A 4 -1.452 0.961 -1.022 136 H2 A 4 H2 A 4 3.696 1.650 -0.295 137 1H5* C 5 1H5' C 5 6.784 -0.114 -6.196 138 2H5* C 5 2H5' C 5 7.357 -1.773 -6.431 139 H4* C 5 H4' C 5 7.504 -0.864 -3.973 140 H3* C 5 H3' C 5 6.316 -3.458 -4.864 141 1H2* C 5 1H2' C 5 6.200 -3.232 -1.994 142 2H2* C 5 2H2' C 5 4.913 -3.592 -3.216 143 H1* C 5 H1' C 5 5.677 -1.041 -1.869 144 1H4 C 5 1H4 C 5 -0.948 -1.962 -2.199 145 2H4 C 5 2H4 C 5 -0.486 -2.137 -0.515 146 H5 C 5 H5 C 5 0.746 -1.572 -3.994 147 H6 C 5 H6 C 5 3.090 -1.363 -4.431 148 1H5* T 6 1H5' T 6 8.441 -3.054 -0.895 149 2H5* T 6 2H5' T 6 9.655 -4.324 -0.621 150 H4* T 6 H4' T 6 8.199 -3.881 1.448 151 H3* T 6 H3' T 6 8.807 -6.465 0.314 152 1H2* T 6 1H2' T 6 6.543 -7.283 1.632 153 2H2* T 6 2H2' T 6 6.563 -6.936 -0.111 154 H1* T 6 H1' T 6 5.899 -5.086 2.234 155 H3 T 6 H3 T 6 1.377 -4.852 1.730 156 1H5M T 6 1H5M T 6 3.594 -5.921 -3.130 157 2H5M T 6 2H5M T 6 1.914 -6.373 -2.783 158 3H5M T 6 3H5M T 6 2.340 -4.667 -3.032 159 H6 T 6 H6 T 6 5.019 -5.725 -1.265 160 1H5* G 7 1H5' G 7 6.853 -5.972 4.719 161 2H5* G 7 2H5' G 7 7.706 -7.122 5.767 162 H4* G 7 H4' G 7 5.416 -7.144 6.436 163 H3* G 7 H3' G 7 6.587 -9.569 5.283 164 1H2* G 7 1H2' G 7 4.073 -10.488 4.960 165 2H2* G 7 2H2' G 7 5.034 -9.742 3.680 166 H1* G 7 H1' G 7 3.072 -8.360 5.548 167 H8 G 7 H8 G 7 4.123 -8.562 1.959 168 H1 G 7 H1 G 7 -2.171 -7.645 2.766 169 1H2 G 7 1H2 G 7 -1.360 -7.897 6.181 170 2H2 G 7 2H2 G 7 -2.633 -7.736 4.990 171 1H5* C 8 1H5' C3' 8 2.943 -10.508 9.361 172 2H5* C 8 2H5' C3' 8 2.835 -9.234 8.165 173 H4* C 8 H4' C3' 8 0.591 -10.058 8.827 174 H3* C 8 H3' C3' 8 1.634 -12.814 8.183 175 1H2* C 8 1H2' C3' 8 -1.139 -12.688 7.444 176 2H2* C 8 2H2' C3' 8 0.276 -13.063 6.403 177 H1* C 8 H1' C3' 8 -1.212 -10.481 6.795 178 1H4 C 8 1H4 C3' 8 0.398 -11.201 0.343 179 2H4 C 8 2H4 C3' 8 -1.331 -10.945 0.401 180 H5 C 8 H5 C3' 8 1.780 -11.458 2.372 181 H6 C 8 H6 C3' 8 1.726 -11.398 4.795 182 H3T C 8 HO3' C3' 8 0.774 -12.141 10.201 Start of MODEL 5 1 1H5* G 1 1H5' G5' 1 -11.196 -10.242 -3.087 2 2H5* G 1 2H5' G5' 1 -12.665 -10.043 -2.111 3 H4* G 1 H4' G5' 1 -11.195 -10.855 -0.092 4 H3* G 1 H3' G5' 1 -11.627 -8.117 -1.060 5 1H2* G 1 1H2' G5' 1 -9.352 -7.579 0.458 6 2H2* G 1 2H2' G5' 1 -9.359 -7.673 -1.308 7 H1* G 1 H1' G5' 1 -8.872 -9.877 0.742 8 H8 G 1 H8 G5' 1 -7.435 -9.243 -2.845 9 H1 G 1 H1 G5' 1 -3.108 -10.241 1.808 10 1H2 G 1 1H2 G5' 1 -5.920 -10.342 3.905 11 2H2 G 1 2H2 G5' 1 -4.179 -10.480 3.791 12 H5T G 1 H5' G5' 1 -11.036 -12.357 -2.231 13 1H5* C 2 1H5' C 2 -10.171 -9.227 3.344 14 2H5* C 2 2H5' C 2 -11.033 -8.164 4.478 15 H4* C 2 H4' C 2 -8.708 -8.457 5.255 16 H3* C 2 H3' C 2 -9.874 -5.877 4.820 17 1H2* C 2 1H2' C 2 -7.449 -4.845 4.188 18 2H2* C 2 2H2' C 2 -8.463 -5.550 2.945 19 H1* C 2 H1' C 2 -6.429 -7.094 4.639 20 1H4 C 2 1H4 C 2 -3.587 -6.261 -1.398 21 2H4 C 2 2H4 C 2 -2.329 -6.720 -0.265 22 H5 C 2 H5 C 2 -5.972 -6.076 -0.706 23 H6 C 2 H6 C 2 -7.484 -6.302 1.171 24 1H5* A 3 1H5' A 3 -6.293 -7.042 7.875 25 2H5* A 3 2H5' A 3 -6.632 -6.019 9.285 26 H4* A 3 H4' A 3 -4.218 -6.586 9.183 27 H3* A 3 H3' A 3 -5.207 -3.987 9.555 28 1H2* A 3 1H2' A 3 -3.240 -2.850 8.112 29 2H2* A 3 2H2' A 3 -4.753 -3.333 7.314 30 H1* A 3 H1' A 3 -2.188 -4.964 7.543 31 H8 A 3 H8 A 3 -5.105 -4.289 5.091 32 1H6 A 3 1H6 A 3 -0.815 -4.433 0.617 33 2H6 A 3 2H6 A 3 -2.516 -4.195 0.971 34 H2 A 3 H2 A 3 1.242 -5.033 4.531 35 1H5* G 4 1H5' G 4 -0.461 -4.747 9.682 36 2H5* G 4 2H5' G 4 0.169 -3.793 11.046 37 H4* G 4 H4' G 4 1.781 -3.758 9.213 38 H3* G 4 H3' G 4 0.463 -1.237 10.086 39 1H2* G 4 1H2' G 4 2.000 -0.404 7.879 40 2H2* G 4 2H2' G 4 0.215 -0.460 7.983 41 H1* G 4 H1' G 4 2.206 -2.479 6.928 42 H8 G 4 H8 G 4 -1.529 -1.687 6.390 43 H1 G 4 H1 G 4 2.090 -1.707 1.078 44 1H2 G 4 1H2 G 4 4.745 -2.101 3.363 45 2H2 G 4 2H2 G 4 4.283 -1.933 1.684 46 1H5* T 5 1H5' T 5 4.647 -1.174 8.239 47 2H5* T 5 2H5' T 5 5.750 -0.055 9.066 48 H4* T 5 H4' T 5 6.006 0.220 6.676 49 H3* T 5 H3' T 5 4.937 2.461 8.293 50 1H2* T 5 1H2' T 5 4.564 3.577 5.805 51 2H2* T 5 2H2' T 5 3.292 2.936 6.864 52 H1* T 5 H1' T 5 4.859 1.542 4.685 53 H3 T 5 H3 T 5 1.552 1.387 1.546 54 1H5M T 5 1H5M T 5 -0.841 1.343 6.383 55 2H5M T 5 2H5M T 5 -1.206 2.844 5.504 56 3H5M T 5 3H5M T 5 -1.765 1.282 4.872 57 H6 T 5 H6 T 5 1.545 1.706 6.339 58 1H5* G 6 1H5' G 6 7.610 3.079 4.348 59 2H5* G 6 2H5' G 6 8.649 4.498 4.603 60 H4* G 6 H4' G 6 7.780 4.536 2.305 61 H3* G 6 H3' G 6 7.197 6.701 4.196 62 1H2* G 6 1H2' G 6 5.346 7.427 2.290 63 2H2* G 6 2H2' G 6 4.961 6.614 3.830 64 H1* G 6 H1' G 6 5.485 5.417 1.095 65 H8 G 6 H8 G 6 3.261 4.976 4.207 66 H1 G 6 H1 G 6 0.300 4.323 -1.462 67 1H2 G 6 1H2 G 6 3.446 5.152 -2.755 68 2H2 G 6 2H2 G 6 1.768 4.803 -3.109 69 1H5* G 7 1H5' G 7 7.173 6.889 -0.567 70 2H5* G 7 2H5' G 7 8.021 8.369 -1.050 71 H4* G 7 H4' G 7 6.191 7.940 -2.631 72 H3* G 7 H3' G 7 6.430 10.411 -1.110 73 1H2* G 7 1H2' G 7 3.789 10.765 -1.793 74 2H2* G 7 2H2' G 7 4.277 10.158 -0.170 75 H1* G 7 H1' G 7 3.458 8.655 -2.641 76 H8 G 7 H8 G 7 3.148 8.021 1.183 77 H1 G 7 H1 G 7 -2.235 7.187 -2.210 78 1H2 G 7 1H2 G 7 -0.313 8.389 -4.898 79 2H2 G 7 2H2 G 7 -1.891 7.866 -4.344 80 1H5* C 8 1H5' C3' 8 3.562 12.968 -2.623 81 2H5* C 8 2H5' C3' 8 3.806 13.788 -4.186 82 H4* C 8 H4' C3' 8 2.008 12.263 -5.194 83 H3* C 8 H3' C3' 8 1.451 14.658 -3.571 84 1H2* C 8 1H2' C3' 8 -1.102 13.477 -3.529 85 2H2* C 8 2H2' C3' 8 0.048 13.425 -2.131 86 H1* C 8 H1' C3' 8 -0.347 11.342 -4.294 87 1H4 C 8 1H4 C3' 8 -2.082 9.509 1.961 88 2H4 C 8 2H4 C3' 8 -3.548 9.419 1.011 89 H5 C 8 H5 C3' 8 0.082 10.288 1.017 90 H6 C 8 H6 C3' 8 1.144 11.112 -0.996 91 H3T C 8 HO3' C3' 8 1.275 14.428 -5.837 92 1H5* G 1 1H5' G5' 1 -14.234 8.840 -0.904 93 2H5* G 1 2H5' G5' 1 -14.231 7.314 -1.807 94 H4* G 1 H4' G5' 1 -13.179 9.111 -3.110 95 H3* G 1 H3' G5' 1 -11.231 6.974 -2.112 96 1H2* G 1 H2' G5' 1 -9.638 8.062 -3.595 97 2HO* G 1 HO2' G5' 1 -11.316 8.558 -5.193 98 H1* G 1 H1' G5' 1 -10.144 10.499 -2.714 99 H8 G 1 H8 G5' 1 -10.584 8.518 0.418 100 H1 G 1 H1 G5' 1 -4.551 10.239 -0.994 101 1H2 G 1 1H2 G5' 1 -5.911 11.012 -4.138 102 2H2 G 1 2H2 G5' 1 -4.470 10.942 -3.150 103 H5T G 1 H5' G5' 1 -12.504 6.620 -0.556 104 1H5* C 2 1H5' C 2 -10.269 7.347 -6.331 105 2H5* C 2 2H5' C 2 -9.913 5.721 -6.932 106 H4* C 2 H4' C 2 -7.988 7.323 -7.167 107 H3* C 2 H3' C 2 -7.698 4.885 -5.384 108 1H2* C 2 H2' C 2 -5.537 5.469 -4.991 109 2HO* C 2 HO2' C 2 -5.730 7.081 -7.357 110 H1* C 2 H1' C 2 -5.826 8.271 -5.331 111 1H4 C 2 1H4 C 2 -5.292 6.029 0.955 112 2H4 C 2 2H4 C 2 -3.659 6.332 0.394 113 H5 C 2 H5 C 2 -7.273 6.409 -0.500 114 H6 C 2 H6 C 2 -7.984 7.130 -2.684 115 1H5* C 3 1H5' C 3 -4.573 5.413 -8.975 116 2H5* C 3 2H5' C 3 -4.100 3.780 -9.459 117 H4* C 3 H4' C 3 -2.165 5.267 -9.369 118 H3* C 3 H3' C 3 -2.220 3.067 -7.265 119 1H2* C 3 H2' C 3 0.067 3.722 -6.800 120 2HO* C 3 HO2' C 3 0.370 4.325 -9.150 121 H1* C 3 H1' C 3 -0.502 6.356 -6.607 122 1H4 C 3 1H4 C 3 -3.216 3.637 -1.180 123 2H4 C 3 2H4 C 3 -1.503 3.584 -0.847 124 H5 C 3 H5 C 3 -4.148 4.411 -3.302 125 H6 C 3 H6 C 3 -3.594 5.300 -5.475 126 1H5* A 4 1H5' A 4 1.716 2.952 -9.167 127 2H5* A 4 2H5' A 4 2.213 1.271 -9.374 128 H4* A 4 H4' A 4 3.779 2.713 -7.957 129 H3* A 4 H3' A 4 2.550 0.163 -6.882 130 1H2* A 4 H2' A 4 3.885 0.533 -4.902 131 2HO* A 4 HO2' A 4 5.743 1.172 -5.160 132 H1* A 4 H1' A 4 3.488 3.093 -4.652 133 H8 A 4 H8 A 4 0.054 1.875 -5.589 134 1H6 A 4 1H6 A 4 -0.630 0.891 0.485 135 2H6 A 4 2H6 A 4 -1.447 0.973 -1.065 136 H2 A 4 H2 A 4 3.703 1.613 -0.301 137 1H5* C 5 1H5' C 5 6.805 -0.160 -6.198 138 2H5* C 5 2H5' C 5 7.364 -1.824 -6.434 139 H4* C 5 H4' C 5 7.518 -0.917 -3.975 140 H3* C 5 H3' C 5 6.308 -3.501 -4.870 141 1H2* C 5 1H2' C 5 6.190 -3.275 -1.999 142 2H2* C 5 2H2' C 5 4.901 -3.623 -3.223 143 H1* C 5 H1' C 5 5.681 -1.081 -1.871 144 1H4 C 5 1H4 C 5 -0.950 -1.947 -2.238 145 2H4 C 5 2H4 C 5 -0.497 -2.138 -0.553 146 H5 C 5 H5 C 5 0.756 -1.555 -4.021 147 H6 C 5 H6 C 5 3.105 -1.371 -4.446 148 1H5* T 6 1H5' T 6 8.430 -3.109 -0.902 149 2H5* T 6 2H5' T 6 9.637 -4.384 -0.628 150 H4* T 6 H4' T 6 8.185 -3.935 1.444 151 H3* T 6 H3' T 6 8.779 -6.520 0.304 152 1H2* T 6 1H2' T 6 6.512 -7.330 1.622 153 2H2* T 6 2H2' T 6 6.533 -6.979 -0.121 154 H1* T 6 H1' T 6 5.878 -5.134 2.228 155 H3 T 6 H3 T 6 1.359 -4.861 1.729 156 1H5M T 6 1H5M T 6 2.324 -4.684 -3.036 157 2H5M T 6 2H5M T 6 3.561 -5.955 -3.133 158 3H5M T 6 3H5M T 6 1.876 -6.384 -2.784 159 H6 T 6 H6 T 6 4.992 -5.759 -1.272 160 1H5* G 7 1H5' G 7 6.836 -6.029 4.720 161 2H5* G 7 2H5' G 7 7.682 -7.191 5.760 162 H4* G 7 H4' G 7 5.389 -7.202 6.427 163 H3* G 7 H3' G 7 6.554 -9.624 5.266 164 1H2* G 7 1H2' G 7 4.041 -10.535 4.939 165 2H2* G 7 2H2' G 7 5.006 -9.791 3.657 166 H1* G 7 H1' G 7 3.040 -8.407 5.516 167 H8 G 7 H8 G 7 4.094 -8.610 1.934 168 H1 G 7 H1 G 7 -2.187 -7.606 2.766 169 1H2 G 7 1H2 G 7 -1.360 -7.879 6.176 170 2H2 G 7 2H2 G 7 -2.638 -7.698 4.994 171 1H5* C 8 1H5' C3' 8 2.864 -9.524 8.482 172 2H5* C 8 2H5' C3' 8 2.898 -11.029 9.411 173 H4* C 8 H4' C3' 8 0.591 -10.292 8.857 174 H3* C 8 H3' C3' 8 1.665 -12.965 8.054 175 1H2* C 8 1H2' C3' 8 -1.122 -12.834 7.295 176 2H2* C 8 2H2' C3' 8 0.304 -13.154 6.253 177 H1* C 8 H1' C3' 8 -1.169 -10.582 6.792 178 1H4 C 8 1H4 C3' 8 0.250 -11.162 0.278 179 2H4 C 8 2H4 C3' 8 -1.473 -10.889 0.387 180 H5 C 8 H5 C3' 8 1.686 -11.460 2.257 181 H6 C 8 H6 C3' 8 1.709 -11.437 4.673 182 H3T C 8 HO3' C3' 8 -0.621 -12.050 9.471 Start of MODEL 6 1 1H5* G 1 1H5' G5' 1 -11.411 -10.922 -3.047 2 2H5* G 1 2H5' G5' 1 -12.604 -9.724 -2.508 3 H4* G 1 H4' G5' 1 -11.341 -10.679 -0.575 4 H3* G 1 H3' G5' 1 -11.682 -7.876 -1.061 5 1H2* G 1 1H2' G5' 1 -9.405 -7.404 0.354 6 2H2* G 1 2H2' G5' 1 -9.408 -7.520 -1.425 7 H1* G 1 H1' G5' 1 -8.957 -9.777 0.595 8 H8 G 1 H8 G5' 1 -7.355 -8.968 -2.903 9 H1 G 1 H1 G5' 1 -3.220 -10.246 1.849 10 1H2 G 1 1H2 G5' 1 -6.098 -10.392 3.851 11 2H2 G 1 2H2 G5' 1 -4.354 -10.535 3.789 12 H5T G 1 H5' G5' 1 -11.372 -9.003 -4.296 13 1H5* C 2 1H5' C 2 -10.121 -9.323 3.294 14 2H5* C 2 2H5' C 2 -10.993 -8.312 4.468 15 H4* C 2 H4' C 2 -8.652 -8.546 5.202 16 H3* C 2 H3' C 2 -9.889 -5.985 4.812 17 1H2* C 2 1H2' C 2 -7.484 -4.894 4.182 18 2H2* C 2 2H2' C 2 -8.498 -5.593 2.935 19 H1* C 2 H1' C 2 -6.424 -7.133 4.582 20 1H4 C 2 1H4 C 2 -3.619 -6.138 -1.448 21 2H4 C 2 2H4 C 2 -2.359 -6.623 -0.327 22 H5 C 2 H5 C 2 -6.008 -5.981 -0.742 23 H6 C 2 H6 C 2 -7.513 -6.277 1.129 24 1H5* A 3 1H5' A 3 -6.275 -7.125 7.820 25 2H5* A 3 2H5' A 3 -6.612 -6.127 9.249 26 H4* A 3 H4' A 3 -4.195 -6.663 9.114 27 H3* A 3 H3' A 3 -5.210 -4.081 9.533 28 1H2* A 3 1H2' A 3 -3.264 -2.901 8.095 29 2H2* A 3 2H2' A 3 -4.778 -3.388 7.298 30 H1* A 3 H1' A 3 -2.196 -4.997 7.491 31 H8 A 3 H8 A 3 -5.122 -4.321 5.047 32 1H6 A 3 1H6 A 3 -0.820 -4.366 0.582 33 2H6 A 3 2H6 A 3 -2.524 -4.149 0.934 34 H2 A 3 H2 A 3 1.235 -4.979 4.496 35 1H5* G 4 1H5' G 4 -0.451 -4.803 9.640 36 2H5* G 4 2H5' G 4 0.169 -3.867 11.020 37 H4* G 4 H4' G 4 1.783 -3.785 9.189 38 H3* G 4 H3' G 4 0.443 -1.293 10.104 39 1H2* G 4 1H2' G 4 1.956 -0.405 7.904 40 2H2* G 4 2H2' G 4 0.172 -0.492 8.012 41 H1* G 4 H1' G 4 2.195 -2.468 6.928 42 H8 G 4 H8 G 4 -1.547 -1.698 6.400 43 H1 G 4 H1 G 4 2.074 -1.631 1.087 44 1H2 G 4 1H2 G 4 4.728 -2.040 3.371 45 2H2 G 4 2H2 G 4 4.269 -1.855 1.693 46 1H5* T 5 1H5' T 5 4.623 -1.203 8.240 47 2H5* T 5 2H5' T 5 5.730 -0.100 9.080 48 H4* T 5 H4' T 5 6.000 0.190 6.693 49 H3* T 5 H3' T 5 4.955 2.428 8.325 50 1H2* T 5 1H2' T 5 4.579 3.576 5.857 51 2H2* T 5 2H2' T 5 3.307 2.923 6.909 52 H1* T 5 H1' T 5 4.872 1.550 4.713 53 H3 T 5 H3 T 5 1.579 1.455 1.560 54 1H5M T 5 1H5M T 5 -0.832 1.363 6.390 55 2H5M T 5 2H5M T 5 -1.196 2.868 5.519 56 3H5M T 5 3H5M T 5 -1.749 1.309 4.876 57 H6 T 5 H6 T 5 1.555 1.716 6.357 58 1H5* G 6 1H5' G 6 7.617 3.067 4.358 59 2H5* G 6 2H5' G 6 8.669 4.471 4.637 60 H4* G 6 H4' G 6 7.804 4.563 2.342 61 H3* G 6 H3' G 6 7.236 6.696 4.271 62 1H2* G 6 1H2' G 6 5.386 7.471 2.379 63 2H2* G 6 2H2' G 6 4.998 6.633 3.905 64 H1* G 6 H1' G 6 5.502 5.495 1.146 65 H8 G 6 H8 G 6 3.293 4.996 4.264 66 H1 G 6 H1 G 6 0.320 4.393 -1.406 67 1H2 G 6 1H2 G 6 3.475 5.189 -2.700 68 2H2 G 6 2H2 G 6 1.795 4.851 -3.054 69 1H5* G 7 1H5' G 7 7.240 6.970 -0.495 70 2H5* G 7 2H5' G 7 8.068 8.473 -0.954 71 H4* G 7 H4' G 7 6.227 8.102 -2.532 72 H3* G 7 H3' G 7 6.410 10.494 -0.895 73 1H2* G 7 1H2' G 7 3.752 10.782 -1.432 74 2H2* G 7 2H2' G 7 4.287 10.055 0.096 75 H1* G 7 H1' G 7 3.540 8.660 -2.505 76 H8 G 7 H8 G 7 3.159 8.108 1.326 77 H1 G 7 H1 G 7 -2.235 7.240 -2.032 78 1H2 G 7 1H2 G 7 -0.300 8.307 -4.761 79 2H2 G 7 2H2 G 7 -1.890 7.853 -4.178 80 1H5* C 8 1H5' C3' 8 3.857 11.659 -5.622 81 2H5* C 8 2H5' C3' 8 3.561 10.204 -4.670 82 H4* C 8 H4' C3' 8 1.574 11.139 -5.900 83 H3* C 8 H3' C3' 8 2.107 13.575 -4.202 84 1H2* C 8 1H2' C3' 8 -0.750 13.354 -4.421 85 2H2* C 8 2H2' C3' 8 0.272 13.297 -2.955 86 H1* C 8 H1' C3' 8 -0.766 11.018 -4.646 87 1H4 C 8 1H4 C3' 8 -1.862 9.823 1.866 88 2H4 C 8 2H4 C3' 8 -3.411 9.695 1.060 89 H5 C 8 H5 C3' 8 0.222 10.488 0.665 90 H6 C 8 H6 C3' 8 1.090 11.159 -1.500 91 H3T C 8 HO3' C3' 8 1.983 13.586 -6.494 92 1H5* G 1 1H5' G5' 1 -14.149 8.221 -0.444 93 2H5* G 1 2H5' G5' 1 -14.098 6.718 -1.384 94 H4* G 1 H4' G5' 1 -13.240 8.608 -2.702 95 H3* G 1 H3' G5' 1 -11.106 6.588 -1.857 96 1H2* G 1 H2' G5' 1 -9.661 7.813 -3.379 97 2HO* G 1 HO2' G5' 1 -10.449 9.492 -4.604 98 H1* G 1 H1' G5' 1 -10.284 10.191 -2.418 99 H8 G 1 H8 G5' 1 -10.427 8.182 0.717 100 H1 G 1 H1 G5' 1 -4.605 10.258 -1.070 101 1H2 G 1 1H2 G5' 1 -6.224 10.971 -4.111 102 2H2 G 1 2H2 G5' 1 -4.719 10.998 -3.220 103 H5T G 1 H5' G5' 1 -12.263 6.114 -0.248 104 1H5* C 2 1H5' C 2 -10.349 7.120 -6.078 105 2H5* C 2 2H5' C 2 -9.925 5.535 -6.740 106 H4* C 2 H4' C 2 -8.081 7.234 -6.989 107 H3* C 2 H3' C 2 -7.643 4.761 -5.289 108 1H2* C 2 H2' C 2 -5.507 5.425 -4.909 109 2HO* C 2 HO2' C 2 -5.794 7.075 -7.237 110 H1* C 2 H1' C 2 -5.908 8.221 -5.173 111 1H4 C 2 1H4 C 2 -5.212 5.842 1.049 112 2H4 C 2 2H4 C 2 -3.598 6.241 0.494 113 H5 C 2 H5 C 2 -7.214 6.174 -0.377 114 H6 C 2 H6 C 2 -7.974 6.910 -2.535 115 1H5* C 3 1H5' C 3 -4.552 5.481 -8.892 116 2H5* C 3 2H5' C 3 -4.075 3.863 -9.422 117 H4* C 3 H4' C 3 -2.141 5.335 -9.312 118 H3* C 3 H3' C 3 -2.198 3.104 -7.250 119 1H2* C 3 H2' C 3 0.060 3.744 -6.722 120 2HO* C 3 HO2' C 3 -0.133 5.545 -8.903 121 H1* C 3 H1' C 3 -0.474 6.394 -6.538 122 1H4 C 3 1H4 C 3 -3.192 3.674 -1.120 123 2H4 C 3 2H4 C 3 -1.478 3.623 -0.787 124 H5 C 3 H5 C 3 -4.122 4.429 -3.247 125 H6 C 3 H6 C 3 -3.569 5.337 -5.416 126 1H5* A 4 1H5' A 4 1.723 3.040 -9.155 127 2H5* A 4 2H5' A 4 2.249 1.371 -9.386 128 H4* A 4 H4' A 4 3.798 2.798 -7.941 129 H3* A 4 H3' A 4 2.583 0.230 -6.897 130 1H2* A 4 H2' A 4 3.907 0.591 -4.912 131 2HO* A 4 HO2' A 4 5.761 1.250 -5.141 132 H1* A 4 H1' A 4 3.503 3.152 -4.644 133 H8 A 4 H8 A 4 0.078 1.898 -5.578 134 1H6 A 4 1H6 A 4 -0.598 0.958 0.503 135 2H6 A 4 2H6 A 4 -1.415 1.027 -1.048 136 H2 A 4 H2 A 4 3.732 1.695 -0.289 137 1H5* C 5 1H5' C 5 6.842 -0.073 -6.174 138 2H5* C 5 2H5' C 5 7.403 -1.735 -6.413 139 H4* C 5 H4' C 5 7.536 -0.839 -3.949 140 H3* C 5 H3' C 5 6.335 -3.420 -4.862 141 1H2* C 5 1H2' C 5 6.204 -3.207 -1.991 142 2H2* C 5 2H2' C 5 4.922 -3.552 -3.223 143 H1* C 5 H1' C 5 5.695 -1.013 -1.861 144 1H4 C 5 1H4 C 5 -0.934 -1.883 -2.231 145 2H4 C 5 2H4 C 5 -0.482 -2.066 -0.545 146 H5 C 5 H5 C 5 0.773 -1.501 -4.015 147 H6 C 5 H6 C 5 3.121 -1.306 -4.439 148 1H5* T 6 1H5' T 6 8.449 -3.056 -0.880 149 2H5* T 6 2H5' T 6 9.647 -4.340 -0.608 150 H4* T 6 H4' T 6 8.185 -3.892 1.458 151 H3* T 6 H3' T 6 8.773 -6.477 0.314 152 1H2* T 6 1H2' T 6 6.494 -7.277 1.619 153 2H2* T 6 2H2' T 6 6.527 -6.925 -0.123 154 H1* T 6 H1' T 6 5.869 -5.079 2.226 155 H3 T 6 H3 T 6 1.354 -4.780 1.696 156 1H5M T 6 1H5M T 6 1.887 -6.301 -2.813 157 2H5M T 6 2H5M T 6 2.355 -4.606 -3.062 158 3H5M T 6 3H5M T 6 3.579 -5.890 -3.150 159 H6 T 6 H6 T 6 5.000 -5.694 -1.281 160 1H5* G 7 1H5' G 7 6.816 -5.975 4.713 161 2H5* G 7 2H5' G 7 7.640 -7.143 5.764 162 H4* G 7 H4' G 7 5.337 -7.116 6.407 163 H3* G 7 H3' G 7 6.486 -9.563 5.286 164 1H2* G 7 1H2' G 7 3.970 -10.451 4.936 165 2H2* G 7 2H2' G 7 4.956 -9.724 3.659 166 H1* G 7 H1' G 7 2.991 -8.304 5.491 167 H8 G 7 H8 G 7 4.066 -8.542 1.919 168 H1 G 7 H1 G 7 -2.222 -7.562 2.722 169 1H2 G 7 1H2 G 7 -1.400 -7.839 6.136 170 2H2 G 7 2H2 G 7 -2.680 -7.671 4.953 171 1H5* C 8 1H5' C3' 8 2.736 -9.367 8.467 172 2H5* C 8 2H5' C3' 8 2.764 -10.858 9.419 173 H4* C 8 H4' C3' 8 0.454 -10.128 8.842 174 H3* C 8 H3' C3' 8 1.540 -12.815 8.105 175 1H2* C 8 1H2' C3' 8 -1.237 -12.707 7.315 176 2H2* C 8 2H2' C3' 8 0.201 -13.038 6.290 177 H1* C 8 H1' C3' 8 -1.293 -10.466 6.766 178 1H4 C 8 1H4 C3' 8 0.241 -11.117 0.283 179 2H4 C 8 2H4 C3' 8 -1.487 -10.856 0.363 180 H5 C 8 H5 C3' 8 1.645 -11.379 2.291 181 H6 C 8 H6 C3' 8 1.623 -11.332 4.706 182 H3T C 8 HO3' C3' 8 0.608 -12.266 10.132 Start of MODEL 7 1 1H5* G 1 1H5' G5' 1 -11.516 -10.751 -3.053 2 2H5* G 1 2H5' G5' 1 -12.661 -9.502 -2.528 3 H4* G 1 H4' G5' 1 -11.402 -10.497 -0.598 4 H3* G 1 H3' G5' 1 -11.713 -7.689 -1.076 5 1H2* G 1 1H2' G5' 1 -9.424 -7.252 0.334 6 2H2* G 1 2H2' G5' 1 -9.432 -7.357 -1.445 7 H1* G 1 H1' G5' 1 -9.004 -9.630 0.561 8 H8 G 1 H8 G5' 1 -7.405 -8.827 -2.939 9 H1 G 1 H1 G5' 1 -3.269 -10.168 1.793 10 1H2 G 1 1H2 G5' 1 -6.140 -10.281 3.807 11 2H2 G 1 2H2 G5' 1 -4.399 -10.451 3.737 12 H5T G 1 H5' G5' 1 -11.076 -7.945 -3.107 13 1H5* C 2 1H5' C 2 -10.161 -9.165 3.272 14 2H5* C 2 2H5' C 2 -11.025 -8.147 4.446 15 H4* C 2 H4' C 2 -8.692 -8.404 5.189 16 H3* C 2 H3' C 2 -9.899 -5.831 4.790 17 1H2* C 2 1H2' C 2 -7.482 -4.764 4.164 18 2H2* C 2 2H2' C 2 -8.500 -5.456 2.916 19 H1* C 2 H1' C 2 -6.444 -7.012 4.570 20 1H4 C 2 1H4 C 2 -3.619 -6.053 -1.456 21 2H4 C 2 2H4 C 2 -2.366 -6.555 -0.334 22 H5 C 2 H5 C 2 -6.007 -5.870 -0.754 23 H6 C 2 H6 C 2 -7.519 -6.149 1.113 24 1H5* A 3 1H5' A 3 -6.325 -6.978 7.863 25 2H5* A 3 2H5' A 3 -6.663 -5.948 9.269 26 H4* A 3 H4' A 3 -4.250 -6.512 9.163 27 H3* A 3 H3' A 3 -5.242 -3.911 9.523 28 1H2* A 3 1H2' A 3 -3.272 -2.781 8.076 29 2H2* A 3 2H2' A 3 -4.787 -3.266 7.281 30 H1* A 3 H1' A 3 -2.223 -4.900 7.519 31 H8 A 3 H8 A 3 -5.129 -4.209 5.054 32 1H6 A 3 1H6 A 3 -0.813 -4.338 0.606 33 2H6 A 3 2H6 A 3 -2.514 -4.093 0.952 34 H2 A 3 H2 A 3 1.217 -4.990 4.526 35 1H5* G 4 1H5' G 4 -0.501 -4.692 9.686 36 2H5* G 4 2H5' G 4 0.127 -3.735 11.048 37 H4* G 4 H4' G 4 1.752 -3.733 9.223 38 H3* G 4 H3' G 4 0.466 -1.193 10.081 39 1H2* G 4 1H2' G 4 2.023 -0.389 7.877 40 2H2* G 4 2H2' G 4 0.237 -0.416 7.976 41 H1* G 4 H1' G 4 2.202 -2.469 6.933 42 H8 G 4 H8 G 4 -1.521 -1.631 6.380 43 H1 G 4 H1 G 4 2.132 -1.655 1.090 44 1H2 G 4 1H2 G 4 4.766 -2.088 3.394 45 2H2 G 4 2H2 G 4 4.320 -1.905 1.712 46 1H5* T 5 1H5' T 5 4.661 -1.177 8.242 47 2H5* T 5 2H5' T 5 5.771 -0.067 9.069 48 H4* T 5 H4' T 5 6.038 0.194 6.677 49 H3* T 5 H3' T 5 5.006 2.453 8.285 50 1H2* T 5 1H2' T 5 4.616 3.576 5.811 51 2H2* T 5 2H2' T 5 3.349 2.932 6.875 52 H1* T 5 H1' T 5 4.904 1.536 4.685 53 H3 T 5 H3 T 5 1.600 1.444 1.543 54 1H5M T 5 1H5M T 5 -1.143 2.903 5.509 55 2H5M T 5 2H5M T 5 -1.721 1.352 4.866 56 3H5M T 5 3H5M T 5 -0.799 1.392 6.378 57 H6 T 5 H6 T 5 1.594 1.724 6.339 58 1H5* G 6 1H5' G 6 7.667 3.100 4.281 59 2H5* G 6 2H5' G 6 8.704 4.513 4.574 60 H4* G 6 H4' G 6 7.842 4.618 2.279 61 H3* G 6 H3' G 6 7.251 6.728 4.227 62 1H2* G 6 1H2' G 6 5.390 7.499 2.348 63 2H2* G 6 2H2' G 6 5.013 6.639 3.864 64 H1* G 6 H1' G 6 5.527 5.541 1.091 65 H8 G 6 H8 G 6 3.328 4.978 4.205 66 H1 G 6 H1 G 6 0.354 4.420 -1.470 67 1H2 G 6 1H2 G 6 3.497 5.248 -2.761 68 2H2 G 6 2H2 G 6 1.818 4.906 -3.114 69 1H5* G 7 1H5' G 7 7.239 7.052 -0.543 70 2H5* G 7 2H5' G 7 8.042 8.572 -0.990 71 H4* G 7 H4' G 7 6.197 8.185 -2.563 72 H3* G 7 H3' G 7 6.362 10.570 -0.917 73 1H2* G 7 1H2' G 7 3.697 10.827 -1.425 74 2H2* G 7 2H2' G 7 4.253 10.093 0.093 75 H1* G 7 H1' G 7 3.505 8.710 -2.514 76 H8 G 7 H8 G 7 3.153 8.124 1.312 77 H1 G 7 H1 G 7 -2.253 7.233 -2.022 78 1H2 G 7 1H2 G 7 -0.338 8.334 -4.753 79 2H2 G 7 2H2 G 7 -1.922 7.865 -4.165 80 1H5* C 8 1H5' C3' 8 3.755 11.682 -5.620 81 2H5* C 8 2H5' C3' 8 3.469 10.242 -4.645 82 H4* C 8 H4' C3' 8 1.469 11.140 -5.879 83 H3* C 8 H3' C3' 8 1.995 13.620 -4.257 84 1H2* C 8 1H2' C3' 8 -0.861 13.374 -4.338 85 2H2* C 8 2H2' C3' 8 0.222 13.308 -2.917 86 H1* C 8 H1' C3' 8 -0.860 11.035 -4.597 87 1H4 C 8 1H4 C3' 8 -1.865 9.785 1.916 88 2H4 C 8 2H4 C3' 8 -3.423 9.646 1.131 89 H5 C 8 H5 C3' 8 0.193 10.482 0.698 90 H6 C 8 H6 C3' 8 1.031 11.168 -1.471 91 H3T C 8 HO3' C3' 8 0.658 14.418 -5.911 92 1H5* G 1 1H5' G5' 1 -14.098 7.745 -0.244 93 2H5* G 1 2H5' G5' 1 -13.984 6.280 -1.235 94 H4* G 1 H4' G5' 1 -13.258 8.265 -2.494 95 H3* G 1 H3' G5' 1 -11.016 6.306 -1.794 96 1H2* G 1 H2' G5' 1 -9.669 7.667 -3.305 97 2HO* G 1 HO2' G5' 1 -11.470 8.057 -4.758 98 H1* G 1 H1' G5' 1 -10.349 9.958 -2.227 99 H8 G 1 H8 G5' 1 -10.361 7.845 0.842 100 H1 G 1 H1 G5' 1 -4.641 10.158 -0.978 101 1H2 G 1 1H2 G5' 1 -6.328 10.901 -3.972 102 2H2 G 1 2H2 G5' 1 -4.809 10.946 -3.105 103 H5T G 1 H5' G5' 1 -12.095 5.739 -0.157 104 1H5* C 2 1H5' C 2 -10.322 7.023 -6.017 105 2H5* C 2 2H5' C 2 -9.868 5.464 -6.722 106 H4* C 2 H4' C 2 -8.061 7.208 -6.932 107 H3* C 2 H3' C 2 -7.550 4.734 -5.255 108 1H2* C 2 H2' C 2 -5.419 5.445 -4.939 109 2HO* C 2 HO2' C 2 -4.976 6.011 -7.201 110 H1* C 2 H1' C 2 -5.924 8.224 -5.064 111 1H4 C 2 1H4 C 2 -5.178 5.621 1.059 112 2H4 C 2 2H4 C 2 -3.578 6.099 0.522 113 H5 C 2 H5 C 2 -7.191 5.942 -0.366 114 H6 C 2 H6 C 2 -7.965 6.739 -2.503 115 1H5* C 3 1H5' C 3 -4.519 5.345 -9.010 116 2H5* C 3 2H5' C 3 -4.011 3.703 -9.422 117 H4* C 3 H4' C 3 -2.116 5.264 -9.402 118 H3* C 3 H3' C 3 -2.102 3.097 -7.266 119 1H2* C 3 H2' C 3 0.164 3.811 -6.821 120 2HO* C 3 HO2' C 3 0.459 4.376 -9.178 121 H1* C 3 H1' C 3 -0.449 6.437 -6.669 122 1H4 C 3 1H4 C 3 -3.097 3.698 -1.214 123 2H4 C 3 2H4 C 3 -1.383 3.638 -0.891 124 H5 C 3 H5 C 3 -4.040 4.476 -3.318 125 H6 C 3 H6 C 3 -3.501 5.412 -5.485 126 1H5* A 4 1H5' A 4 1.833 3.027 -9.158 127 2H5* A 4 2H5' A 4 2.346 1.350 -9.362 128 H4* A 4 H4' A 4 3.896 2.803 -7.942 129 H3* A 4 H3' A 4 2.679 0.246 -6.873 130 1H2* A 4 H2' A 4 3.981 0.626 -4.876 131 2HO* A 4 HO2' A 4 5.841 1.261 -5.109 132 H1* A 4 H1' A 4 3.580 3.188 -4.636 133 H8 A 4 H8 A 4 0.154 1.972 -5.598 134 1H6 A 4 1H6 A 4 -0.570 0.975 0.470 135 2H6 A 4 2H6 A 4 -1.374 1.050 -1.087 136 H2 A 4 H2 A 4 3.766 1.716 -0.284 137 1H5* C 5 1H5' C 5 6.924 -0.068 -6.125 138 2H5* C 5 2H5' C 5 7.484 -1.732 -6.360 139 H4* C 5 H4' C 5 7.599 -0.841 -3.895 140 H3* C 5 H3' C 5 6.387 -3.413 -4.820 141 1H2* C 5 1H2' C 5 6.232 -3.200 -1.950 142 2H2* C 5 2H2' C 5 4.959 -3.535 -3.194 143 H1* C 5 H1' C 5 5.737 -1.003 -1.823 144 1H4 C 5 1H4 C 5 -0.893 -1.848 -2.258 145 2H4 C 5 2H4 C 5 -0.455 -2.045 -0.569 146 H5 C 5 H5 C 5 0.832 -1.457 -4.025 147 H6 C 5 H6 C 5 3.185 -1.273 -4.425 148 1H5* T 6 1H5' T 6 8.465 -3.078 -0.811 149 2H5* T 6 2H5' T 6 9.654 -4.371 -0.543 150 H4* T 6 H4' T 6 8.187 -3.934 1.519 151 H3* T 6 H3' T 6 8.759 -6.512 0.351 152 1H2* T 6 1H2' T 6 6.469 -7.307 1.639 153 2H2* T 6 2H2' T 6 6.510 -6.937 -0.099 154 H1* T 6 H1' T 6 5.858 -5.111 2.266 155 H3 T 6 H3 T 6 1.347 -4.785 1.725 156 1H5M T 6 1H5M T 6 2.364 -4.559 -3.029 157 2H5M T 6 2H5M T 6 3.586 -5.844 -3.128 158 3H5M T 6 3H5M T 6 1.892 -6.255 -2.801 159 H6 T 6 H6 T 6 5.001 -5.678 -1.251 160 1H5* G 7 1H5' G 7 6.789 -6.055 4.759 161 2H5* G 7 2H5' G 7 7.604 -7.247 5.790 162 H4* G 7 H4' G 7 5.301 -7.222 6.429 163 H3* G 7 H3' G 7 6.439 -9.651 5.257 164 1H2* G 7 1H2' G 7 3.916 -10.517 4.889 165 2H2* G 7 2H2' G 7 4.908 -9.774 3.627 166 H1* G 7 H1' G 7 2.949 -8.376 5.484 167 H8 G 7 H8 G 7 4.029 -8.557 1.909 168 H1 G 7 H1 G 7 -2.248 -7.514 2.715 169 1H2 G 7 1H2 G 7 -1.437 -7.838 6.127 170 2H2 G 7 2H2 G 7 -2.711 -7.636 4.943 171 1H5* C 8 1H5' C3' 8 2.693 -9.516 8.435 172 2H5* C 8 2H5' C3' 8 2.712 -11.029 9.354 173 H4* C 8 H4' C3' 8 0.409 -10.280 8.795 174 H3* C 8 H3' C3' 8 1.481 -12.948 7.973 175 1H2* C 8 1H2' C3' 8 -1.300 -12.797 7.191 176 2H2* C 8 2H2' C3' 8 0.133 -13.110 6.155 177 H1* C 8 H1' C3' 8 -1.339 -10.541 6.710 178 1H4 C 8 1H4 C3' 8 0.171 -11.067 0.206 179 2H4 C 8 2H4 C3' 8 -1.554 -10.790 0.296 180 H5 C 8 H5 C3' 8 1.578 -11.375 2.204 181 H6 C 8 H6 C3' 8 1.566 -11.374 4.618 182 H3T C 8 HO3' C3' 8 -0.271 -13.542 9.275 Start of MODEL 8 1 1H5* G 1 1H5' G5' 1 -11.492 -10.817 -2.913 2 2H5* G 1 2H5' G5' 1 -12.650 -9.594 -2.354 3 H4* G 1 H4' G5' 1 -11.368 -10.596 -0.447 4 H3* G 1 H3' G5' 1 -11.690 -7.784 -0.899 5 1H2* G 1 1H2' G5' 1 -9.390 -7.352 0.493 6 2H2* G 1 2H2' G5' 1 -9.416 -7.444 -1.287 7 H1* G 1 H1' G5' 1 -8.963 -9.733 0.696 8 H8 G 1 H8 G5' 1 -7.398 -8.896 -2.810 9 H1 G 1 H1 G5' 1 -3.215 -10.269 1.872 10 1H2 G 1 1H2 G5' 1 -6.070 -10.399 3.912 11 2H2 G 1 2H2 G5' 1 -4.328 -10.562 3.826 12 H5T G 1 H5' G5' 1 -10.050 -9.074 -3.364 13 1H5* C 2 1H5' C 2 -10.087 -9.293 3.430 14 2H5* C 2 2H5' C 2 -10.940 -8.284 4.618 15 H4* C 2 H4' C 2 -8.597 -8.539 5.334 16 H3* C 2 H3' C 2 -9.816 -5.968 4.966 17 1H2* C 2 1H2' C 2 -7.412 -4.890 4.319 18 2H2* C 2 2H2' C 2 -8.441 -5.578 3.078 19 H1* C 2 H1' C 2 -6.361 -7.137 4.698 20 1H4 C 2 1H4 C 2 -3.609 -6.133 -1.354 21 2H4 C 2 2H4 C 2 -2.342 -6.640 -0.251 22 H5 C 2 H5 C 2 -5.989 -5.959 -0.623 23 H6 C 2 H6 C 2 -7.478 -6.254 1.260 24 1H5* A 3 1H5' A 3 -6.191 -7.120 7.981 25 2H5* A 3 2H5' A 3 -6.517 -6.103 9.399 26 H4* A 3 H4' A 3 -4.103 -6.649 9.260 27 H3* A 3 H3' A 3 -5.107 -4.056 9.646 28 1H2* A 3 1H2' A 3 -3.160 -2.906 8.184 29 2H2* A 3 2H2' A 3 -4.681 -3.395 7.403 30 H1* A 3 H1' A 3 -2.106 -5.015 7.601 31 H8 A 3 H8 A 3 -5.046 -4.334 5.175 32 1H6 A 3 1H6 A 3 -0.786 -4.423 0.673 33 2H6 A 3 2H6 A 3 -2.485 -4.192 1.041 34 H2 A 3 H2 A 3 1.299 -5.063 4.566 35 1H5* G 4 1H5' G 4 -0.357 -4.796 9.734 36 2H5* G 4 2H5' G 4 0.280 -3.843 11.095 37 H4* G 4 H4' G 4 1.880 -3.799 9.251 38 H3* G 4 H3' G 4 0.560 -1.284 10.135 39 1H2* G 4 1H2' G 4 2.073 -0.444 7.915 40 2H2* G 4 2H2' G 4 0.289 -0.510 8.034 41 H1* G 4 H1' G 4 2.284 -2.521 6.966 42 H8 G 4 H8 G 4 -1.456 -1.736 6.452 43 H1 G 4 H1 G 4 2.139 -1.718 1.121 44 1H2 G 4 1H2 G 4 4.802 -2.129 3.394 45 2H2 G 4 2H2 G 4 4.335 -1.950 1.718 46 1H5* T 5 1H5' T 5 4.730 -1.214 8.248 47 2H5* T 5 2H5' T 5 5.838 -0.094 9.066 48 H4* T 5 H4' T 5 6.081 0.173 6.674 49 H3* T 5 H3' T 5 5.034 2.420 8.292 50 1H2* T 5 1H2' T 5 4.621 3.540 5.819 51 2H2* T 5 2H2' T 5 3.366 2.885 6.889 52 H1* T 5 H1' T 5 4.924 1.504 4.693 53 H3 T 5 H3 T 5 1.609 1.380 1.565 54 1H5M T 5 1H5M T 5 -0.767 1.306 6.415 55 2H5M T 5 2H5M T 5 -1.139 2.806 5.537 56 3H5M T 5 3H5M T 5 -1.695 1.242 4.907 57 H6 T 5 H6 T 5 1.620 1.658 6.361 58 1H5* G 6 1H5' G 6 7.658 3.085 4.276 59 2H5* G 6 2H5' G 6 8.692 4.501 4.564 60 H4* G 6 H4' G 6 7.821 4.611 2.277 61 H3* G 6 H3' G 6 7.214 6.706 4.238 62 1H2* G 6 1H2' G 6 5.358 7.475 2.348 63 2H2* G 6 2H2' G 6 4.975 6.615 3.864 64 H1* G 6 H1' G 6 5.492 5.516 1.094 65 H8 G 6 H8 G 6 3.309 4.930 4.216 66 H1 G 6 H1 G 6 0.328 4.323 -1.452 67 1H2 G 6 1H2 G 6 3.462 5.197 -2.749 68 2H2 G 6 2H2 G 6 1.790 4.821 -3.101 69 1H5* G 7 1H5' G 7 7.268 7.129 -0.537 70 2H5* G 7 2H5' G 7 8.042 8.677 -0.935 71 H4* G 7 H4' G 7 6.206 8.299 -2.525 72 H3* G 7 H3' G 7 6.318 10.636 -0.807 73 1H2* G 7 1H2' G 7 3.642 10.852 -1.317 74 2H2* G 7 2H2' G 7 4.236 10.081 0.180 75 H1* G 7 H1' G 7 3.514 8.764 -2.471 76 H8 G 7 H8 G 7 3.107 8.091 1.339 77 H1 G 7 H1 G 7 -2.210 7.180 -2.119 78 1H2 G 7 1H2 G 7 -0.257 8.345 -4.797 79 2H2 G 7 2H2 G 7 -1.847 7.850 -4.246 80 1H5* C 8 1H5' C3' 8 3.583 10.506 -4.772 81 2H5* C 8 2H5' C3' 8 3.698 12.107 -5.520 82 H4* C 8 H4' C3' 8 1.469 11.250 -5.770 83 H3* C 8 H3' C3' 8 1.956 13.738 -4.233 84 1H2* C 8 1H2' C3' 8 -0.866 13.429 -3.937 85 2H2* C 8 2H2' C3' 8 0.369 13.239 -2.648 86 H1* C 8 H1' C3' 8 -0.807 11.110 -4.468 87 1H4 C 8 1H4 C3' 8 -2.203 9.515 1.884 88 2H4 C 8 2H4 C3' 8 -3.716 9.469 1.005 89 H5 C 8 H5 C3' 8 -0.054 10.230 0.832 90 H6 C 8 H6 C3' 8 0.926 11.007 -1.214 91 H3T C 8 HO3' C3' 8 0.383 14.433 -5.727 92 1H5* G 1 1H5' G5' 1 -14.697 9.059 -1.625 93 2H5* G 1 2H5' G5' 1 -14.720 7.624 -2.671 94 H4* G 1 H4' G5' 1 -13.091 9.343 -3.451 95 H3* G 1 H3' G5' 1 -11.864 6.760 -2.379 96 1H2* G 1 H2' G5' 1 -9.845 7.539 -3.230 97 2HO* G 1 HO2' G5' 1 -9.678 9.261 -4.657 98 H1* G 1 H1' G5' 1 -10.350 10.232 -2.636 99 H8 G 1 H8 G5' 1 -10.745 8.179 0.462 100 H1 G 1 H1 G5' 1 -4.796 10.255 -0.865 101 1H2 G 1 1H2 G5' 1 -6.207 11.069 -3.976 102 2H2 G 1 2H2 G5' 1 -4.763 11.051 -2.989 103 H5T G 1 H5' G5' 1 -13.298 7.884 -0.227 104 1H5* C 2 1H5' C 2 -10.198 7.496 -6.560 105 2H5* C 2 2H5' C 2 -9.773 5.907 -7.192 106 H4* C 2 H4' C 2 -7.868 7.503 -7.128 107 H3* C 2 H3' C 2 -7.696 4.999 -5.420 108 1H2* C 2 H2' C 2 -5.522 5.538 -4.983 109 2HO* C 2 HO2' C 2 -4.875 6.046 -7.192 110 H1* C 2 H1' C 2 -5.832 8.354 -5.180 111 1H4 C 2 1H4 C 2 -5.248 5.978 1.025 112 2H4 C 2 2H4 C 2 -3.619 6.328 0.481 113 H5 C 2 H5 C 2 -7.223 6.316 -0.426 114 H6 C 2 H6 C 2 -7.944 7.057 -2.594 115 1H5* C 3 1H5' C 3 -4.517 5.372 -9.042 116 2H5* C 3 2H5' C 3 -4.056 3.713 -9.447 117 H4* C 3 H4' C 3 -2.114 5.222 -9.365 118 H3* C 3 H3' C 3 -2.222 3.031 -7.263 119 1H2* C 3 H2' C 3 0.034 3.665 -6.719 120 2HO* C 3 HO2' C 3 -0.115 5.426 -8.935 121 H1* C 3 H1' C 3 -0.481 6.328 -6.611 122 1H4 C 3 1H4 C 3 -3.214 3.700 -1.144 123 2H4 C 3 2H4 C 3 -1.499 3.599 -0.827 124 H5 C 3 H5 C 3 -4.140 4.507 -3.259 125 H6 C 3 H6 C 3 -3.574 5.396 -5.433 126 1H5* A 4 1H5' A 4 1.710 2.923 -9.167 127 2H5* A 4 2H5' A 4 2.241 1.251 -9.360 128 H4* A 4 H4' A 4 3.785 2.729 -7.951 129 H3* A 4 H3' A 4 2.605 0.160 -6.873 130 1H2* A 4 H2' A 4 3.918 0.556 -4.888 131 2HO* A 4 HO2' A 4 5.768 1.215 -5.129 132 H1* A 4 H1' A 4 3.496 3.118 -4.652 133 H8 A 4 H8 A 4 0.076 1.846 -5.562 134 1H6 A 4 1H6 A 4 -0.567 0.898 0.521 135 2H6 A 4 2H6 A 4 -1.390 0.955 -1.027 136 H2 A 4 H2 A 4 3.752 1.678 -0.288 137 1H5* C 5 1H5' C 5 6.859 -0.105 -6.149 138 2H5* C 5 2H5' C 5 7.432 -1.764 -6.384 139 H4* C 5 H4' C 5 7.555 -0.869 -3.922 140 H3* C 5 H3' C 5 6.355 -3.451 -4.837 141 1H2* C 5 1H2' C 5 6.226 -3.240 -1.966 142 2H2* C 5 2H2' C 5 4.944 -3.585 -3.199 143 H1* C 5 H1' C 5 5.715 -1.046 -1.836 144 1H4 C 5 1H4 C 5 -0.912 -1.940 -2.195 145 2H4 C 5 2H4 C 5 -0.454 -2.128 -0.511 146 H5 C 5 H5 C 5 0.791 -1.544 -3.983 147 H6 C 5 H6 C 5 3.137 -1.341 -4.410 148 1H5* T 6 1H5' T 6 8.473 -3.108 -0.848 149 2H5* T 6 2H5' T 6 9.672 -4.396 -0.595 150 H4* T 6 H4' T 6 8.224 -3.975 1.482 151 H3* T 6 H3' T 6 8.794 -6.545 0.295 152 1H2* T 6 1H2' T 6 6.522 -7.355 1.607 153 2H2* T 6 2H2' T 6 6.542 -6.979 -0.130 154 H1* T 6 H1' T 6 5.909 -5.164 2.248 155 H3 T 6 H3 T 6 1.391 -4.855 1.763 156 1H5M T 6 1H5M T 6 1.871 -6.301 -2.770 157 2H5M T 6 2H5M T 6 2.369 -4.614 -3.008 158 3H5M T 6 3H5M T 6 3.568 -5.920 -3.115 159 H6 T 6 H6 T 6 5.011 -5.726 -1.260 160 1H5* G 7 1H5' G 7 6.881 -6.120 4.733 161 2H5* G 7 2H5' G 7 7.709 -7.319 5.745 162 H4* G 7 H4' G 7 5.412 -7.299 6.410 163 H3* G 7 H3' G 7 6.543 -9.720 5.217 164 1H2* G 7 1H2' G 7 4.020 -10.590 4.868 165 2H2* G 7 2H2' G 7 4.998 -9.838 3.601 166 H1* G 7 H1' G 7 3.054 -8.455 5.486 167 H8 G 7 H8 G 7 4.093 -8.621 1.899 168 H1 G 7 H1 G 7 -2.179 -7.603 2.783 169 1H2 G 7 1H2 G 7 -1.323 -7.923 6.184 170 2H2 G 7 2H2 G 7 -2.613 -7.730 5.017 171 1H5* C 8 1H5' C3' 8 2.833 -9.600 8.436 172 2H5* C 8 2H5' C3' 8 2.851 -11.119 9.344 173 H4* C 8 H4' C3' 8 0.548 -10.342 8.802 174 H3* C 8 H3' C3' 8 1.590 -13.022 7.985 175 1H2* C 8 1H2' C3' 8 -1.191 -12.855 7.216 176 2H2* C 8 2H2' C3' 8 0.235 -13.179 6.175 177 H1* C 8 H1' C3' 8 -1.217 -10.599 6.730 178 1H4 C 8 1H4 C3' 8 0.243 -11.149 0.219 179 2H4 C 8 2H4 C3' 8 -1.480 -10.868 0.322 180 H5 C 8 H5 C3' 8 1.666 -11.458 2.208 181 H6 C 8 H6 C3' 8 1.669 -11.454 4.624 182 H3T C 8 HO3' C3' 8 -0.690 -12.086 9.398 Start of MODEL 9 1 1H5* G 1 1H5' G5' 1 -11.441 -10.926 -2.995 2 2H5* G 1 2H5' G5' 1 -12.606 -9.700 -2.457 3 H4* G 1 H4' G5' 1 -11.324 -10.686 -0.537 4 H3* G 1 H3' G5' 1 -11.682 -7.881 -0.995 5 1H2* G 1 1H2' G5' 1 -9.393 -7.414 0.405 6 2H2* G 1 2H2' G5' 1 -9.408 -7.512 -1.374 7 H1* G 1 H1' G5' 1 -8.939 -9.788 0.619 8 H8 G 1 H8 G5' 1 -7.360 -8.942 -2.880 9 H1 G 1 H1 G5' 1 -3.195 -10.245 1.837 10 1H2 G 1 1H2 G5' 1 -6.061 -10.408 3.857 11 2H2 G 1 2H2 G5' 1 -4.317 -10.547 3.783 12 H5T G 1 H5' G5' 1 -11.052 -8.112 -3.031 13 1H5* C 2 1H5' C 2 -10.083 -9.352 3.342 14 2H5* C 2 2H5' C 2 -10.957 -8.351 4.522 15 H4* C 2 H4' C 2 -8.616 -8.569 5.253 16 H3* C 2 H3' C 2 -9.868 -6.015 4.862 17 1H2* C 2 1H2' C 2 -7.469 -4.911 4.233 18 2H2* C 2 2H2' C 2 -8.481 -5.615 2.985 19 H1* C 2 H1' C 2 -6.396 -7.143 4.629 20 1H4 C 2 1H4 C 2 -3.608 -6.125 -1.404 21 2H4 C 2 2H4 C 2 -2.343 -6.611 -0.289 22 H5 C 2 H5 C 2 -5.996 -5.982 -0.693 23 H6 C 2 H6 C 2 -7.496 -6.291 1.178 24 1H5* A 3 1H5' A 3 -6.256 -7.124 7.888 25 2H5* A 3 2H5' A 3 -6.598 -6.117 9.309 26 H4* A 3 H4' A 3 -4.180 -6.641 9.181 27 H3* A 3 H3' A 3 -5.209 -4.056 9.568 28 1H2* A 3 1H2' A 3 -3.259 -2.887 8.123 29 2H2* A 3 2H2' A 3 -4.771 -3.385 7.329 30 H1* A 3 H1' A 3 -2.185 -4.986 7.541 31 H8 A 3 H8 A 3 -5.111 -4.323 5.093 32 1H6 A 3 1H6 A 3 -0.812 -4.373 0.627 33 2H6 A 3 2H6 A 3 -2.516 -4.152 0.980 34 H2 A 3 H2 A 3 1.243 -5.006 4.536 35 1H5* G 4 1H5' G 4 -0.465 -4.778 9.680 36 2H5* G 4 2H5' G 4 0.163 -3.834 11.051 37 H4* G 4 H4' G 4 1.774 -3.777 9.216 38 H3* G 4 H3' G 4 0.448 -1.270 10.113 39 1H2* G 4 1H2' G 4 1.974 -0.410 7.909 40 2H2* G 4 2H2' G 4 0.190 -0.478 8.016 41 H1* G 4 H1' G 4 2.191 -2.480 6.944 42 H8 G 4 H8 G 4 -1.547 -1.697 6.414 43 H1 G 4 H1 G 4 2.075 -1.649 1.103 44 1H2 G 4 1H2 G 4 4.727 -2.063 3.387 45 2H2 G 4 2H2 G 4 4.269 -1.879 1.709 46 1H5* T 5 1H5' T 5 4.626 -1.200 8.254 47 2H5* T 5 2H5' T 5 5.736 -0.095 9.089 48 H4* T 5 H4' T 5 6.000 0.191 6.701 49 H3* T 5 H3' T 5 4.950 2.432 8.329 50 1H2* T 5 1H2' T 5 4.579 3.570 5.856 51 2H2* T 5 2H2' T 5 3.304 2.924 6.908 52 H1* T 5 H1' T 5 4.868 1.542 4.719 53 H3 T 5 H3 T 5 1.571 1.442 1.569 54 1H5M T 5 1H5M T 5 -1.753 1.300 4.889 55 2H5M T 5 2H5M T 5 -0.834 1.361 6.403 56 3H5M T 5 3H5M T 5 -1.199 2.862 5.524 57 H6 T 5 H6 T 5 1.553 1.706 6.365 58 1H5* G 6 1H5' G 6 7.618 3.075 4.369 59 2H5* G 6 2H5' G 6 8.666 4.482 4.649 60 H4* G 6 H4' G 6 7.800 4.573 2.355 61 H3* G 6 H3' G 6 7.219 6.702 4.287 62 1H2* G 6 1H2' G 6 5.372 7.470 2.388 63 2H2* G 6 2H2' G 6 4.983 6.631 3.913 64 H1* G 6 H1' G 6 5.499 5.493 1.156 65 H8 G 6 H8 G 6 3.283 4.987 4.269 66 H1 G 6 H1 G 6 0.324 4.386 -1.409 67 1H2 G 6 1H2 G 6 3.483 5.188 -2.693 68 2H2 G 6 2H2 G 6 1.805 4.848 -3.053 69 1H5* G 7 1H5' G 7 7.242 6.963 -0.468 70 2H5* G 7 2H5' G 7 8.066 8.466 -0.936 71 H4* G 7 H4' G 7 6.231 8.066 -2.518 72 H3* G 7 H3' G 7 6.405 10.480 -0.914 73 1H2* G 7 1H2' G 7 3.749 10.756 -1.458 74 2H2* G 7 2H2' G 7 4.283 10.045 0.080 75 H1* G 7 H1' G 7 3.547 8.616 -2.508 76 H8 G 7 H8 G 7 3.145 8.095 1.324 77 H1 G 7 H1 G 7 -2.243 7.253 -2.049 78 1H2 G 7 1H2 G 7 -0.290 8.305 -4.773 79 2H2 G 7 2H2 G 7 -1.885 7.859 -4.197 80 1H5* C 8 1H5' C3' 8 3.876 11.496 -5.659 81 2H5* C 8 2H5' C3' 8 3.540 10.104 -4.635 82 H4* C 8 H4' C3' 8 1.585 11.006 -5.941 83 H3* C 8 H3' C3' 8 2.144 13.531 -4.415 84 1H2* C 8 1H2' C3' 8 -0.711 13.354 -4.422 85 2H2* C 8 2H2' C3' 8 0.395 13.260 -3.020 86 H1* C 8 H1' C3' 8 -0.764 11.009 -4.686 87 1H4 C 8 1H4 C3' 8 -1.896 9.821 1.816 88 2H4 C 8 2H4 C3' 8 -3.447 9.732 1.009 89 H5 C 8 H5 C3' 8 0.201 10.458 0.625 90 H6 C 8 H6 C3' 8 1.087 11.111 -1.534 91 H3T C 8 HO3' C3' 8 0.789 14.280 -6.077 92 1H5* G 1 1H5' G5' 1 -14.171 8.259 -0.548 93 2H5* G 1 2H5' G5' 1 -14.092 6.756 -1.487 94 H4* G 1 H4' G5' 1 -13.262 8.664 -2.796 95 H3* G 1 H3' G5' 1 -11.125 6.646 -1.975 96 1H2* G 1 H2' G5' 1 -9.664 7.881 -3.457 97 2HO* G 1 HO2' G5' 1 -11.945 9.362 -4.191 98 H1* G 1 H1' G5' 1 -10.291 10.256 -2.501 99 H8 G 1 H8 G5' 1 -10.460 8.244 0.633 100 H1 G 1 H1 G5' 1 -4.624 10.315 -1.113 101 1H2 G 1 1H2 G5' 1 -6.223 11.035 -4.163 102 2H2 G 1 2H2 G5' 1 -4.724 11.063 -3.262 103 H5T G 1 H5' G5' 1 -12.253 6.179 -0.344 104 1H5* C 2 1H5' C 2 -10.329 7.214 -6.183 105 2H5* C 2 2H5' C 2 -9.905 5.634 -6.853 106 H4* C 2 H4' C 2 -8.052 7.325 -7.060 107 H3* C 2 H3' C 2 -7.652 4.826 -5.391 108 1H2* C 2 H2' C 2 -5.520 5.470 -4.958 109 2HO* C 2 HO2' C 2 -5.741 7.131 -7.284 110 H1* C 2 H1' C 2 -5.892 8.275 -5.219 111 1H4 C 2 1H4 C 2 -5.250 5.900 1.005 112 2H4 C 2 2H4 C 2 -3.631 6.295 0.462 113 H5 C 2 H5 C 2 -7.241 6.237 -0.435 114 H6 C 2 H6 C 2 -7.983 6.972 -2.601 115 1H5* C 3 1H5' C 3 -4.495 5.564 -8.939 116 2H5* C 3 2H5' C 3 -4.040 3.946 -9.488 117 H4* C 3 H4' C 3 -2.068 5.370 -9.307 118 H3* C 3 H3' C 3 -2.236 3.125 -7.260 119 1H2* C 3 H2' C 3 0.027 3.702 -6.695 120 2HO* C 3 HO2' C 3 1.163 5.252 -7.826 121 H1* C 3 H1' C 3 -0.445 6.371 -6.527 122 1H4 C 3 1H4 C 3 -3.222 3.701 -1.112 123 2H4 C 3 2H4 C 3 -1.509 3.624 -0.779 124 H5 C 3 H5 C 3 -4.138 4.481 -3.242 125 H6 C 3 H6 C 3 -3.565 5.377 -5.410 126 1H5* A 4 1H5' A 4 1.700 2.998 -9.166 127 2H5* A 4 2H5' A 4 2.219 1.324 -9.372 128 H4* A 4 H4' A 4 3.769 2.780 -7.945 129 H3* A 4 H3' A 4 2.569 0.211 -6.885 130 1H2* A 4 H2' A 4 3.893 0.589 -4.902 131 2HO* A 4 HO2' A 4 5.742 1.258 -5.136 132 H1* A 4 H1' A 4 3.472 3.148 -4.645 133 H8 A 4 H8 A 4 0.054 1.864 -5.571 134 1H6 A 4 1H6 A 4 -0.612 0.961 0.516 135 2H6 A 4 2H6 A 4 -1.431 1.017 -1.035 136 H2 A 4 H2 A 4 3.715 1.703 -0.285 137 1H5* C 5 1H5' C 5 6.829 -0.064 -6.166 138 2H5* C 5 2H5' C 5 7.401 -1.723 -6.400 139 H4* C 5 H4' C 5 7.530 -0.819 -3.938 140 H3* C 5 H3' C 5 6.345 -3.410 -4.842 141 1H2* C 5 1H2' C 5 6.207 -3.188 -1.972 142 2H2* C 5 2H2' C 5 4.930 -3.542 -3.206 143 H1* C 5 H1' C 5 5.691 -0.995 -1.850 144 1H4 C 5 1H4 C 5 -0.935 -1.901 -2.218 145 2H4 C 5 2H4 C 5 -0.483 -2.078 -0.532 146 H5 C 5 H5 C 5 0.770 -1.519 -4.004 147 H6 C 5 H6 C 5 3.117 -1.312 -4.427 148 1H5* T 6 1H5' T 6 8.440 -3.030 -0.845 149 2H5* T 6 2H5' T 6 9.646 -4.307 -0.577 150 H4* T 6 H4' T 6 8.183 -3.883 1.490 151 H3* T 6 H3' T 6 8.781 -6.456 0.325 152 1H2* T 6 1H2' T 6 6.507 -7.276 1.628 153 2H2* T 6 2H2' T 6 6.534 -6.911 -0.112 154 H1* T 6 H1' T 6 5.873 -5.087 2.252 155 H3 T 6 H3 T 6 1.358 -4.801 1.734 156 1H5M T 6 1H5M T 6 1.884 -6.276 -2.790 157 2H5M T 6 2H5M T 6 2.354 -4.580 -3.026 158 3H5M T 6 3H5M T 6 3.577 -5.864 -3.126 159 H6 T 6 H6 T 6 5.002 -5.675 -1.258 160 1H5* G 7 1H5' G 7 6.836 -6.023 4.751 161 2H5* G 7 2H5' G 7 7.670 -7.210 5.773 162 H4* G 7 H4' G 7 5.370 -7.211 6.427 163 H3* G 7 H3' G 7 6.529 -9.625 5.245 164 1H2* G 7 1H2' G 7 4.015 -10.518 4.885 165 2H2* G 7 2H2' G 7 4.993 -9.761 3.622 166 H1* G 7 H1' G 7 3.026 -8.392 5.491 167 H8 G 7 H8 G 7 4.087 -8.558 1.911 168 H1 G 7 H1 G 7 -2.195 -7.571 2.753 169 1H2 G 7 1H2 G 7 -1.361 -7.886 6.160 170 2H2 G 7 2H2 G 7 -2.644 -7.699 4.983 171 1H5* C 8 1H5' C3' 8 2.800 -9.533 8.443 172 2H5* C 8 2H5' C3' 8 2.827 -11.050 9.354 173 H4* C 8 H4' C3' 8 0.521 -10.296 8.796 174 H3* C 8 H3' C3' 8 1.593 -12.967 7.986 175 1H2* C 8 1H2' C3' 8 -1.185 -12.826 7.202 176 2H2* C 8 2H2' C3' 8 0.250 -13.138 6.170 177 H1* C 8 H1' C3' 8 -1.229 -10.571 6.714 178 1H4 C 8 1H4 C3' 8 0.271 -11.112 0.211 179 2H4 C 8 2H4 C3' 8 -1.453 -10.838 0.304 180 H5 C 8 H5 C3' 8 1.684 -11.415 2.208 181 H6 C 8 H6 C3' 8 1.675 -11.406 4.623 182 H3T C 8 HO3' C3' 8 -0.704 -12.053 9.386 Start of MODEL 10 1 1H5* G 1 1H5' G5' 1 -11.485 -10.887 -2.986 2 2H5* G 1 2H5' G5' 1 -12.642 -9.658 -2.438 3 H4* G 1 H4' G5' 1 -11.354 -10.656 -0.528 4 H3* G 1 H3' G5' 1 -11.704 -7.848 -0.976 5 1H2* G 1 1H2' G5' 1 -9.407 -7.394 0.416 6 2H2* G 1 2H2' G5' 1 -9.431 -7.487 -1.364 7 H1* G 1 H1' G5' 1 -8.959 -9.771 0.618 8 H8 G 1 H8 G5' 1 -7.397 -8.918 -2.886 9 H1 G 1 H1 G5' 1 -3.207 -10.237 1.806 10 1H2 G 1 1H2 G5' 1 -6.062 -10.401 3.840 11 2H2 G 1 2H2 G5' 1 -4.319 -10.543 3.756 12 H5T G 1 H5' G5' 1 -11.086 -8.075 -3.016 13 1H5* C 2 1H5' C 2 -10.092 -9.334 3.352 14 2H5* C 2 2H5' C 2 -10.957 -8.332 4.538 15 H4* C 2 H4' C 2 -8.615 -8.559 5.258 16 H3* C 2 H3' C 2 -9.858 -5.999 4.873 17 1H2* C 2 1H2' C 2 -7.457 -4.904 4.235 18 2H2* C 2 2H2' C 2 -8.476 -5.604 2.991 19 H1* C 2 H1' C 2 -6.391 -7.141 4.627 20 1H4 C 2 1H4 C 2 -3.616 -6.122 -1.411 21 2H4 C 2 2H4 C 2 -2.350 -6.612 -0.299 22 H5 C 2 H5 C 2 -6.002 -5.974 -0.695 23 H6 C 2 H6 C 2 -7.499 -6.282 1.180 24 1H5* A 3 1H5' A 3 -6.239 -7.117 7.898 25 2H5* A 3 2H5' A 3 -6.580 -6.105 9.316 26 H4* A 3 H4' A 3 -4.161 -6.630 9.188 27 H3* A 3 H3' A 3 -5.189 -4.044 9.568 28 1H2* A 3 1H2' A 3 -3.243 -2.879 8.117 29 2H2* A 3 2H2' A 3 -4.755 -3.382 7.327 30 H1* A 3 H1' A 3 -2.168 -4.980 7.542 31 H8 A 3 H8 A 3 -5.097 -4.326 5.095 32 1H6 A 3 1H6 A 3 -0.802 -4.376 0.624 33 2H6 A 3 2H6 A 3 -2.506 -4.159 0.979 34 H2 A 3 H2 A 3 1.259 -4.999 4.532 35 1H5* G 4 1H5' G 4 -0.440 -4.764 9.688 36 2H5* G 4 2H5' G 4 0.183 -3.811 11.055 37 H4* G 4 H4' G 4 1.798 -3.766 9.222 38 H3* G 4 H3' G 4 0.473 -1.255 10.110 39 1H2* G 4 1H2' G 4 2.007 -0.404 7.908 40 2H2* G 4 2H2' G 4 0.222 -0.465 8.012 41 H1* G 4 H1' G 4 2.218 -2.472 6.943 42 H8 G 4 H8 G 4 -1.522 -1.693 6.414 43 H1 G 4 H1 G 4 2.098 -1.648 1.101 44 1H2 G 4 1H2 G 4 4.753 -2.050 3.384 45 2H2 G 4 2H2 G 4 4.292 -1.869 1.706 46 1H5* T 5 1H5' T 5 4.659 -1.174 8.265 47 2H5* T 5 2H5' T 5 5.758 -0.062 9.104 48 H4* T 5 H4' T 5 6.029 0.228 6.719 49 H3* T 5 H3' T 5 4.963 2.459 8.347 50 1H2* T 5 1H2' T 5 4.578 3.601 5.878 51 2H2* T 5 2H2' T 5 3.311 2.938 6.930 52 H1* T 5 H1' T 5 4.888 1.579 4.735 53 H3 T 5 H3 T 5 1.596 1.446 1.581 54 1H5M T 5 1H5M T 5 -0.817 1.344 6.408 55 2H5M T 5 2H5M T 5 -1.180 2.854 5.544 56 3H5M T 5 3H5M T 5 -1.735 1.299 4.893 57 H6 T 5 H6 T 5 1.570 1.717 6.377 58 1H5* G 6 1H5' G 6 7.607 3.104 4.381 59 2H5* G 6 2H5' G 6 8.659 4.510 4.654 60 H4* G 6 H4' G 6 7.792 4.595 2.360 61 H3* G 6 H3' G 6 7.219 6.733 4.284 62 1H2* G 6 1H2' G 6 5.367 7.497 2.390 63 2H2* G 6 2H2' G 6 4.980 6.662 3.919 64 H1* G 6 H1' G 6 5.484 5.520 1.163 65 H8 G 6 H8 G 6 3.284 5.015 4.287 66 H1 G 6 H1 G 6 0.305 4.370 -1.376 67 1H2 G 6 1H2 G 6 3.453 5.190 -2.677 68 2H2 G 6 2H2 G 6 1.776 4.836 -3.028 69 1H5* G 7 1H5' G 7 7.230 6.971 -0.478 70 2H5* G 7 2H5' G 7 8.055 8.471 -0.953 71 H4* G 7 H4' G 7 6.210 8.073 -2.528 72 H3* G 7 H3' G 7 6.412 10.488 -0.935 73 1H2* G 7 1H2' G 7 3.747 10.777 -1.438 74 2H2* G 7 2H2' G 7 4.315 10.055 0.094 75 H1* G 7 H1' G 7 3.523 8.646 -2.488 76 H8 G 7 H8 G 7 3.134 8.128 1.348 77 H1 G 7 H1 G 7 -2.235 7.208 -2.036 78 1H2 G 7 1H2 G 7 -0.287 8.272 -4.758 79 2H2 G 7 2H2 G 7 -1.880 7.816 -4.184 80 1H5* C 8 1H5' C3' 8 3.658 10.251 -4.885 81 2H5* C 8 2H5' C3' 8 3.822 11.808 -5.715 82 H4* C 8 H4' C3' 8 1.565 10.994 -5.915 83 H3* C 8 H3' C3' 8 2.128 13.557 -4.529 84 1H2* C 8 1H2' C3' 8 -0.704 13.347 -4.226 85 2H2* C 8 2H2' C3' 8 0.524 13.219 -2.927 86 H1* C 8 H1' C3' 8 -0.711 10.998 -4.592 87 1H4 C 8 1H4 C3' 8 -2.022 9.762 1.856 88 2H4 C 8 2H4 C3' 8 -3.544 9.656 0.999 89 H5 C 8 H5 C3' 8 0.107 10.417 0.741 90 H6 C 8 H6 C3' 8 1.059 11.086 -1.355 91 H3T C 8 HO3' C3' 8 0.203 12.715 -6.447 92 1H5* G 1 1H5' G5' 1 -14.353 8.485 -0.827 93 2H5* G 1 2H5' G5' 1 -14.241 6.956 -1.723 94 H4* G 1 H4' G5' 1 -13.245 8.858 -2.971 95 H3* G 1 H3' G5' 1 -11.289 6.706 -2.025 96 1H2* G 1 H2' G5' 1 -9.695 7.853 -3.467 97 2HO* G 1 HO2' G5' 1 -11.369 8.358 -5.066 98 H1* G 1 H1' G5' 1 -10.272 10.273 -2.561 99 H8 G 1 H8 G5' 1 -10.547 8.259 0.569 100 H1 G 1 H1 G5' 1 -4.643 10.253 -1.027 101 1H2 G 1 1H2 G5' 1 -6.149 10.985 -4.117 102 2H2 G 1 2H2 G5' 1 -4.673 10.985 -3.178 103 H5T G 1 H5' G5' 1 -12.563 7.830 0.388 104 1H5* C 2 1H5' C 2 -10.309 7.253 -6.283 105 2H5* C 2 2H5' C 2 -9.908 5.651 -6.913 106 H4* C 2 H4' C 2 -8.022 7.312 -7.093 107 H3* C 2 H3' C 2 -7.700 4.819 -5.400 108 1H2* C 2 H2' C 2 -5.558 5.421 -4.961 109 2HO* C 2 HO2' C 2 -4.403 6.987 -6.289 110 H1* C 2 H1' C 2 -5.881 8.231 -5.237 111 1H4 C 2 1H4 C 2 -5.256 5.940 1.008 112 2H4 C 2 2H4 C 2 -3.632 6.294 0.451 113 H5 C 2 H5 C 2 -7.245 6.271 -0.433 114 H6 C 2 H6 C 2 -7.988 6.986 -2.607 115 1H5* C 3 1H5' C 3 -4.529 5.495 -8.938 116 2H5* C 3 2H5' C 3 -4.055 3.875 -9.466 117 H4* C 3 H4' C 3 -2.103 5.342 -9.276 118 H3* C 3 H3' C 3 -2.250 3.077 -7.250 119 1H2* C 3 H2' C 3 0.006 3.680 -6.672 120 2HO* C 3 HO2' C 3 1.128 5.245 -7.788 121 H1* C 3 H1' C 3 -0.504 6.342 -6.490 122 1H4 C 3 1H4 C 3 -3.237 3.649 -1.070 123 2H4 C 3 2H4 C 3 -1.523 3.611 -0.734 124 H5 C 3 H5 C 3 -4.167 4.378 -3.213 125 H6 C 3 H6 C 3 -3.610 5.265 -5.386 126 1H5* A 4 1H5' A 4 1.698 3.021 -9.148 127 2H5* A 4 2H5' A 4 2.234 1.353 -9.371 128 H4* A 4 H4' A 4 3.772 2.803 -7.930 129 H3* A 4 H3' A 4 2.585 0.223 -6.885 130 1H2* A 4 H2' A 4 3.905 0.598 -4.900 131 2HO* A 4 HO2' A 4 5.752 1.272 -5.132 132 H1* A 4 H1' A 4 3.476 3.156 -4.635 133 H8 A 4 H8 A 4 0.066 1.842 -5.557 134 1H6 A 4 1H6 A 4 -0.585 0.940 0.531 135 2H6 A 4 2H6 A 4 -1.406 0.995 -1.018 136 H2 A 4 H2 A 4 3.736 1.714 -0.277 137 1H5* C 5 1H5' C 5 6.845 -0.046 -6.160 138 2H5* C 5 2H5' C 5 7.417 -1.705 -6.400 139 H4* C 5 H4' C 5 7.541 -0.809 -3.935 140 H3* C 5 H3' C 5 6.355 -3.397 -4.848 141 1H2* C 5 1H2' C 5 6.219 -3.183 -1.977 142 2H2* C 5 2H2' C 5 4.941 -3.534 -3.212 143 H1* C 5 H1' C 5 5.701 -0.990 -1.851 144 1H4 C 5 1H4 C 5 -0.923 -1.906 -2.218 145 2H4 C 5 2H4 C 5 -0.469 -2.085 -0.532 146 H5 C 5 H5 C 5 0.780 -1.516 -4.004 147 H6 C 5 H6 C 5 3.126 -1.303 -4.428 148 1H5* T 6 1H5' T 6 8.460 -3.035 -0.854 149 2H5* T 6 2H5' T 6 9.662 -4.317 -0.590 150 H4* T 6 H4' T 6 8.203 -3.891 1.479 151 H3* T 6 H3' T 6 8.790 -6.465 0.310 152 1H2* T 6 1H2' T 6 6.514 -7.278 1.612 153 2H2* T 6 2H2' T 6 6.543 -6.910 -0.126 154 H1* T 6 H1' T 6 5.890 -5.086 2.241 155 H3 T 6 H3 T 6 1.373 -4.794 1.731 156 1H5M T 6 1H5M T 6 1.889 -6.276 -2.791 157 2H5M T 6 2H5M T 6 2.362 -4.581 -3.034 158 3H5M T 6 3H5M T 6 3.581 -5.869 -3.131 159 H6 T 6 H6 T 6 5.012 -5.670 -1.269 160 1H5* G 7 1H5' G 7 6.846 -6.027 4.736 161 2H5* G 7 2H5' G 7 7.676 -7.216 5.758 162 H4* G 7 H4' G 7 5.377 -7.208 6.414 163 H3* G 7 H3' G 7 6.525 -9.627 5.232 164 1H2* G 7 1H2' G 7 4.007 -10.511 4.876 165 2H2* G 7 2H2' G 7 4.987 -9.758 3.610 166 H1* G 7 H1' G 7 3.027 -8.380 5.481 167 H8 G 7 H8 G 7 4.087 -8.548 1.900 168 H1 G 7 H1 G 7 -2.196 -7.567 2.745 169 1H2 G 7 1H2 G 7 -1.361 -7.887 6.151 170 2H2 G 7 2H2 G 7 -2.644 -7.698 4.975 171 1H5* C 8 1H5' C3' 8 2.788 -9.536 8.427 172 2H5* C 8 2H5' C3' 8 2.825 -11.053 9.338 173 H4* C 8 H4' C3' 8 0.514 -10.324 8.790 174 H3* C 8 H3' C3' 8 1.608 -12.977 7.948 175 1H2* C 8 1H2' C3' 8 -1.178 -12.848 7.181 176 2H2* C 8 2H2' C3' 8 0.253 -13.141 6.137 177 H1* C 8 H1' C3' 8 -1.240 -10.589 6.713 178 1H4 C 8 1H4 C3' 8 0.236 -11.083 0.198 179 2H4 C 8 2H4 C3' 8 -1.490 -10.822 0.298 180 H5 C 8 H5 C3' 8 1.658 -11.384 2.187 181 H6 C 8 H6 C3' 8 1.661 -11.383 4.601 182 H3T C 8 HO3' C3' 8 -0.133 -13.595 9.254 Start of MODEL 11 1 1H5* G 1 1H5' G5' 1 -11.353 -10.216 -3.012 2 2H5* G 1 2H5' G5' 1 -11.734 -11.704 -2.160 3 H4* G 1 H4' G5' 1 -11.095 -10.935 -0.047 4 H3* G 1 H3' G5' 1 -11.644 -8.164 -0.930 5 1H2* G 1 1H2' G5' 1 -9.340 -7.631 0.525 6 2H2* G 1 2H2' G5' 1 -9.393 -7.695 -1.245 7 H1* G 1 H1' G5' 1 -8.838 -9.944 0.729 8 H8 G 1 H8 G5' 1 -7.353 -9.085 -2.818 9 H1 G 1 H1 G5' 1 -3.095 -10.293 1.844 10 1H2 G 1 1H2 G5' 1 -5.927 -10.485 3.907 11 2H2 G 1 2H2 G5' 1 -4.182 -10.598 3.808 12 H5T G 1 H5' G5' 1 -13.588 -10.465 -2.620 13 1H5* C 2 1H5' C 2 -10.089 -9.366 3.420 14 2H5* C 2 2H5' C 2 -10.945 -8.333 4.585 15 H4* C 2 H4' C 2 -8.605 -8.600 5.317 16 H3* C 2 H3' C 2 -9.812 -6.029 4.922 17 1H2* C 2 1H2' C 2 -7.404 -4.962 4.274 18 2H2* C 2 2H2' C 2 -8.428 -5.662 3.035 19 H1* C 2 H1' C 2 -6.357 -7.207 4.682 20 1H4 C 2 1H4 C 2 -3.580 -6.225 -1.362 21 2H4 C 2 2H4 C 2 -2.310 -6.699 -0.247 22 H5 C 2 H5 C 2 -5.964 -6.080 -0.647 23 H6 C 2 H6 C 2 -7.460 -6.370 1.232 24 1H5* A 3 1H5' A 3 -6.194 -7.172 7.943 25 2H5* A 3 2H5' A 3 -6.532 -6.158 9.360 26 H4* A 3 H4' A 3 -4.114 -6.698 9.235 27 H3* A 3 H3' A 3 -5.129 -4.111 9.625 28 1H2* A 3 1H2' A 3 -3.183 -2.948 8.174 29 2H2* A 3 2H2' A 3 -4.697 -3.442 7.383 30 H1* A 3 H1' A 3 -2.114 -5.049 7.588 31 H8 A 3 H8 A 3 -5.053 -4.395 5.155 32 1H6 A 3 1H6 A 3 -0.781 -4.442 0.662 33 2H6 A 3 2H6 A 3 -2.483 -4.228 1.026 34 H2 A 3 H2 A 3 1.300 -5.060 4.559 35 1H5* G 4 1H5' G 4 -0.377 -4.830 9.718 36 2H5* G 4 2H5' G 4 0.253 -3.880 11.084 37 H4* G 4 H4' G 4 1.856 -3.819 9.242 38 H3* G 4 H3' G 4 0.523 -1.317 10.141 39 1H2* G 4 1H2' G 4 2.028 -0.453 7.926 40 2H2* G 4 2H2' G 4 0.245 -0.534 8.044 41 H1* G 4 H1' G 4 2.256 -2.523 6.965 42 H8 G 4 H8 G 4 -1.489 -1.760 6.453 43 H1 G 4 H1 G 4 2.105 -1.697 1.122 44 1H2 G 4 1H2 G 4 4.773 -2.088 3.391 45 2H2 G 4 2H2 G 4 4.302 -1.907 1.716 46 1H5* T 5 1H5' T 5 4.688 -1.229 8.251 47 2H5* T 5 2H5' T 5 5.797 -0.116 9.077 48 H4* T 5 H4' T 5 6.042 0.168 6.687 49 H3* T 5 H3' T 5 4.990 2.404 8.321 50 1H2* T 5 1H2' T 5 4.594 3.538 5.847 51 2H2* T 5 2H2' T 5 3.331 2.885 6.910 52 H1* T 5 H1' T 5 4.889 1.510 4.711 53 H3 T 5 H3 T 5 1.573 1.393 1.583 54 1H5M T 5 1H5M T 5 -1.184 2.794 5.553 55 2H5M T 5 2H5M T 5 -1.727 1.224 4.927 56 3H5M T 5 3H5M T 5 -0.799 1.299 6.434 57 H6 T 5 H6 T 5 1.584 1.657 6.379 58 1H5* G 6 1H5' G 6 7.613 3.060 4.338 59 2H5* G 6 2H5' G 6 8.664 4.466 4.615 60 H4* G 6 H4' G 6 7.789 4.573 2.330 61 H3* G 6 H3' G 6 7.199 6.685 4.281 62 1H2* G 6 1H2' G 6 5.355 7.461 2.379 63 2H2* G 6 2H2' G 6 4.961 6.614 3.900 64 H1* G 6 H1' G 6 5.475 5.491 1.141 65 H8 G 6 H8 G 6 3.280 4.945 4.261 66 H1 G 6 H1 G 6 0.299 4.327 -1.404 67 1H2 G 6 1H2 G 6 3.443 5.177 -2.702 68 2H2 G 6 2H2 G 6 1.770 4.809 -3.055 69 1H5* G 7 1H5' G 7 7.269 7.052 -0.484 70 2H5* G 7 2H5' G 7 8.070 8.582 -0.903 71 H4* G 7 H4' G 7 6.235 8.209 -2.496 72 H3* G 7 H3' G 7 6.374 10.567 -0.806 73 1H2* G 7 1H2' G 7 3.706 10.818 -1.339 74 2H2* G 7 2H2' G 7 4.278 10.058 0.174 75 H1* G 7 H1' G 7 3.552 8.715 -2.463 76 H8 G 7 H8 G 7 3.111 8.087 1.353 77 H1 G 7 H1 G 7 -2.195 7.212 -2.133 78 1H2 G 7 1H2 G 7 -0.213 8.337 -4.806 79 2H2 G 7 2H2 G 7 -1.810 7.858 -4.264 80 1H5* C 8 1H5' C3' 8 3.671 10.429 -4.782 81 2H5* C 8 2H5' C3' 8 3.819 12.017 -5.554 82 H4* C 8 H4' C3' 8 1.579 11.198 -5.808 83 H3* C 8 H3' C3' 8 2.093 13.694 -4.285 84 1H2* C 8 1H2' C3' 8 -0.736 13.433 -4.020 85 2H2* C 8 2H2' C3' 8 0.480 13.238 -2.715 86 H1* C 8 H1' C3' 8 -0.709 11.108 -4.526 87 1H4 C 8 1H4 C3' 8 -2.191 9.595 1.828 88 2H4 C 8 2H4 C3' 8 -3.695 9.561 0.934 89 H5 C 8 H5 C3' 8 -0.018 10.264 0.790 90 H6 C 8 H6 C3' 8 0.991 11.014 -1.252 91 H3T C 8 HO3' C3' 8 1.629 13.562 -6.522 92 1H5* G 1 1H5' G5' 1 -14.674 9.580 -1.862 93 2H5* G 1 2H5' G5' 1 -14.753 8.117 -2.865 94 H4* G 1 H4' G5' 1 -12.996 9.701 -3.638 95 H3* G 1 H3' G5' 1 -11.983 7.079 -2.453 96 1H2* G 1 H2' G5' 1 -9.891 7.683 -3.196 97 2HO* G 1 HO2' G5' 1 -9.517 9.344 -4.689 98 H1* G 1 H1' G5' 1 -10.249 10.455 -2.782 99 H8 G 1 H8 G5' 1 -10.771 8.530 0.384 100 H1 G 1 H1 G5' 1 -4.741 10.371 -0.926 101 1H2 G 1 1H2 G5' 1 -6.093 11.141 -4.074 102 2H2 G 1 2H2 G5' 1 -4.663 11.112 -3.069 103 H5T G 1 H5' G5' 1 -13.403 8.365 -0.379 104 1H5* C 2 1H5' C 2 -10.193 7.653 -6.662 105 2H5* C 2 2H5' C 2 -9.822 6.034 -7.245 106 H4* C 2 H4' C 2 -7.871 7.577 -7.222 107 H3* C 2 H3' C 2 -7.783 5.073 -5.514 108 1H2* C 2 H2' C 2 -5.613 5.555 -5.004 109 2HO* C 2 HO2' C 2 -5.632 7.214 -7.342 110 H1* C 2 H1' C 2 -5.795 8.383 -5.311 111 1H4 C 2 1H4 C 2 -5.283 6.252 0.984 112 2H4 C 2 2H4 C 2 -3.644 6.534 0.434 113 H5 C 2 H5 C 2 -7.242 6.566 -0.488 114 H6 C 2 H6 C 2 -7.940 7.232 -2.689 115 1H5* C 3 1H5' C 3 -4.516 5.569 -8.982 116 2H5* C 3 2H5' C 3 -4.087 3.933 -9.499 117 H4* C 3 H4' C 3 -2.094 5.342 -9.286 118 H3* C 3 H3' C 3 -2.334 3.092 -7.251 119 1H2* C 3 H2' C 3 -0.069 3.630 -6.651 120 2HO* C 3 HO2' C 3 1.115 5.148 -7.764 121 H1* C 3 H1' C 3 -0.497 6.311 -6.505 122 1H4 C 3 1H4 C 3 -3.295 3.705 -1.068 123 2H4 C 3 2H4 C 3 -1.581 3.607 -0.744 124 H5 C 3 H5 C 3 -4.212 4.492 -3.202 125 H6 C 3 H6 C 3 -3.636 5.356 -5.378 126 1H5* A 4 1H5' A 4 1.621 2.936 -9.165 127 2H5* A 4 2H5' A 4 2.139 1.260 -9.353 128 H4* A 4 H4' A 4 3.689 2.742 -7.947 129 H3* A 4 H3' A 4 2.519 0.167 -6.873 130 1H2* A 4 H2' A 4 3.850 0.562 -4.897 131 2HO* A 4 HO2' A 4 5.693 1.239 -5.147 132 H1* A 4 H1' A 4 3.413 3.118 -4.648 133 H8 A 4 H8 A 4 -0.003 1.805 -5.539 134 1H6 A 4 1H6 A 4 -0.610 0.899 0.551 135 2H6 A 4 2H6 A 4 -1.440 0.949 -0.994 136 H2 A 4 H2 A 4 3.703 1.686 -0.285 137 1H5* C 5 1H5' C 5 6.787 -0.075 -6.178 138 2H5* C 5 2H5' C 5 7.369 -1.730 -6.413 139 H4* C 5 H4' C 5 7.504 -0.824 -3.953 140 H3* C 5 H3' C 5 6.329 -3.422 -4.850 141 1H2* C 5 1H2' C 5 6.209 -3.200 -1.979 142 2H2* C 5 2H2' C 5 4.925 -3.564 -3.204 143 H1* C 5 H1' C 5 5.679 -1.011 -1.855 144 1H4 C 5 1H4 C 5 -0.943 -1.961 -2.180 145 2H4 C 5 2H4 C 5 -0.478 -2.134 -0.496 146 H5 C 5 H5 C 5 0.748 -1.565 -3.976 147 H6 C 5 H6 C 5 3.091 -1.344 -4.415 148 1H5* T 6 1H5' T 6 8.457 -3.033 -0.867 149 2H5* T 6 2H5' T 6 9.668 -4.306 -0.607 150 H4* T 6 H4' T 6 8.216 -3.880 1.470 151 H3* T 6 H3' T 6 8.822 -6.454 0.313 152 1H2* T 6 1H2' T 6 6.558 -7.283 1.626 153 2H2* T 6 2H2' T 6 6.576 -6.921 -0.114 154 H1* T 6 H1' T 6 5.917 -5.094 2.248 155 H3 T 6 H3 T 6 1.397 -4.845 1.757 156 1H5M T 6 1H5M T 6 2.364 -4.628 -3.013 157 2H5M T 6 2H5M T 6 3.596 -5.903 -3.114 158 3H5M T 6 3H5M T 6 1.909 -6.327 -2.767 159 H6 T 6 H6 T 6 5.031 -5.696 -1.256 160 1H5* G 7 1H5' G 7 6.878 -6.018 4.745 161 2H5* G 7 2H5' G 7 7.729 -7.192 5.767 162 H4* G 7 H4' G 7 5.435 -7.219 6.434 163 H3* G 7 H3' G 7 6.611 -9.621 5.244 164 1H2* G 7 1H2' G 7 4.102 -10.539 4.902 165 2H2* G 7 2H2' G 7 5.065 -9.774 3.631 166 H1* G 7 H1' G 7 3.094 -8.422 5.510 167 H8 G 7 H8 G 7 4.144 -8.574 1.925 168 H1 G 7 H1 G 7 -2.144 -7.643 2.783 169 1H2 G 7 1H2 G 7 -1.302 -7.954 6.188 170 2H2 G 7 2H2 G 7 -2.587 -7.771 5.014 171 1H5* C 8 1H5' C3' 8 2.905 -9.580 8.459 172 2H5* C 8 2H5' C3' 8 2.961 -11.095 9.373 173 H4* C 8 H4' C3' 8 0.641 -10.388 8.837 174 H3* C 8 H3' C3' 8 1.753 -13.031 7.989 175 1H2* C 8 1H2' C3' 8 -1.039 -12.927 7.241 176 2H2* C 8 2H2' C3' 8 0.387 -13.211 6.188 177 H1* C 8 H1' C3' 8 -1.122 -10.669 6.771 178 1H4 C 8 1H4 C3' 8 0.308 -11.142 0.246 179 2H4 C 8 2H4 C3' 8 -1.418 -10.890 0.360 180 H5 C 8 H5 C3' 8 1.749 -11.438 2.223 181 H6 C 8 H6 C3' 8 1.770 -11.446 4.638 182 H3T C 8 HO3' C3' 8 0.025 -13.665 9.308 No H/Q in entry = 182
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