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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11958 |
1saa ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5' C 1 -2.468 -10.248 -5.307 2 2H5* C 1 2H5' C 1 -1.586 -11.145 -4.059 3 H4* C 1 H4' C 1 -0.086 -10.110 -5.754 4 H3* C 1 H3' C 1 0.357 -10.099 -3.006 5 1H2* C 1 1H2' C 1 1.358 -7.569 -2.967 6 2H2* C 1 2H2' C 1 -0.380 -7.869 -2.688 7 H1* C 1 H1' C 1 1.028 -7.260 -5.334 8 1H4 C 1 1H4 C 1 -3.004 -2.031 -4.222 9 2H4 C 1 2H4 C 1 -1.414 -1.444 -4.679 10 H5 C 1 H5 C 1 -3.463 -4.480 -4.052 11 H6 C 1 H6 C 1 -2.476 -6.668 -4.229 12 H5T C 1 H5' C 1 -3.239 -9.805 -3.207 13 1H5* A 2 1H5' A 2 4.019 -7.850 -5.355 14 2H5* A 2 2H5' A 2 5.449 -8.613 -4.641 15 H4* A 2 H4' A 2 5.893 -6.300 -5.047 16 H3* A 2 H3' A 2 6.304 -7.446 -2.476 17 1H2* A 2 1H2' A 2 5.772 -5.071 -1.225 18 2H2* A 2 2H2' A 2 4.479 -6.259 -1.557 19 H1* A 2 H1' A 2 5.347 -3.946 -3.369 20 H8 A 2 H8 A 2 2.408 -5.397 -1.256 21 1H6 A 2 1H6 A 2 -0.577 -0.176 -2.495 22 2H6 A 2 2H6 A 2 -0.576 -1.727 -1.662 23 H2 A 2 H2 A 2 3.526 0.137 -4.308 24 1H5* T 3 1H5' T 3 7.919 -3.206 -3.736 25 2H5* T 3 2H5' T 3 9.528 -2.946 -3.040 26 H4* T 3 H4' T 3 8.267 -0.881 -3.194 27 H3* T 3 H3' T 3 9.470 -1.801 -0.734 28 1H2* T 3 1H2' T 3 7.752 -0.148 0.615 29 2H2* T 3 2H2' T 3 7.441 -1.882 0.372 30 H1* T 3 H1' T 3 6.576 0.427 -1.423 31 H3 T 3 H3 T 3 2.136 0.719 -0.428 32 1H5M T 3 1H5M T 3 3.267 -3.218 2.484 33 2H5M T 3 2H5M T 3 2.085 -3.655 1.236 34 3H5M T 3 3H5M T 3 3.765 -4.208 1.091 35 H6 T 3 H6 T 3 5.436 -2.703 0.282 36 1H5* G 4 1H5' G 4 8.529 2.803 -1.637 37 2H5* G 4 2H5' G 4 9.789 3.776 -0.856 38 H4* G 4 H4' G 4 7.692 4.934 -0.816 39 H3* G 4 H3' G 4 9.199 4.493 1.565 40 1H2* G 4 1H2' G 4 6.956 4.492 3.099 41 2H2* G 4 2H2' G 4 7.567 2.969 2.391 42 H1* G 4 H1' G 4 5.553 4.872 1.103 43 H8 G 4 H8 G 4 5.976 1.160 2.270 44 H1 G 4 H1 G 4 -0.048 3.393 2.229 45 1H2 G 4 1H2 G 4 1.529 6.339 1.071 46 2H2 G 4 2H2 G 4 0.007 5.625 1.571 47 1H5* T 5 1H5' T 5 5.704 7.741 1.191 48 2H5* T 5 2H5' T 5 6.256 9.191 2.050 49 H4* T 5 H4' T 5 3.807 8.946 2.073 50 H3* T 5 H3' T 5 5.411 9.351 4.456 51 1H2* T 5 1H2' T 5 3.146 8.483 5.828 52 2H2* T 5 2H2' T 5 4.591 7.486 5.528 53 H1* T 5 H1' T 5 2.052 7.680 3.840 54 H3 T 5 H3 T 5 0.381 3.730 5.506 55 1H5M T 5 1H5M T 5 4.648 1.791 5.240 56 2H5M T 5 2H5M T 5 5.741 3.160 4.954 57 3H5M T 5 3H5M T 5 5.142 2.824 6.595 58 H6 T 5 H6 T 5 4.819 5.344 4.645 59 1H5* G 6 1H5' G 6 0.825 10.641 4.529 60 2H5* G 6 2H5' G 6 0.689 12.130 5.483 61 H4* G 6 H4' G 6 -1.151 10.636 5.954 62 H3* G 6 H3' G 6 0.499 11.708 8.029 63 1H2* G 6 1H2' G 6 -0.054 9.556 9.629 64 2H2* G 6 2H2' G 6 1.380 9.581 8.562 65 H1* G 6 H1' G 6 -1.387 8.493 7.863 66 H8 G 6 H8 G 6 2.408 7.511 7.719 67 H1 G 6 H1 G 6 -1.620 2.718 9.161 68 1H2 G 6 1H2 G 6 -4.060 5.255 8.880 69 2H2 G 6 2H2 G 6 -3.782 3.556 9.211 70 1H5* A 7 1H5' A 7 -3.945 9.979 8.881 71 2H5* A 7 2H5' A 7 -4.642 11.100 10.065 72 H4* A 7 H4' A 7 -5.552 8.870 10.362 73 H3* A 7 H3' A 7 -4.474 10.379 12.491 74 1H2* A 7 1H2' A 7 -3.534 8.175 13.781 75 2H2* A 7 2H2' A 7 -2.513 9.017 12.580 76 H1* A 7 H1' A 7 -4.424 6.693 12.022 77 H8 A 7 H8 A 7 -0.753 7.852 11.304 78 1H6 A 7 1H6 A 7 0.803 1.985 12.413 79 2H6 A 7 2H6 A 7 1.345 3.583 11.906 80 H2 A 7 H2 A 7 -3.654 2.312 12.751 81 1H5* C 8 1H5' C 8 -7.543 6.698 13.265 82 2H5* C 8 2H5' C 8 -8.546 7.230 14.626 83 H4* C 8 H4' C 8 -8.330 4.776 14.498 84 H3* C 8 H3' C 8 -8.114 6.230 16.868 85 1H2* C 8 1H2' C 8 -6.082 4.763 17.883 86 2H2* C 8 2H2' C 8 -5.727 6.170 16.851 87 H1* C 8 H1' C 8 -6.061 3.270 15.958 88 1H4 C 8 1H4 C 8 0.364 5.128 15.202 89 2H4 C 8 2H4 C 8 0.311 3.470 15.794 90 H5 C 8 H5 C 8 -1.728 6.459 14.949 91 H6 C 8 H6 C 8 -4.143 6.347 15.095 92 1H5* G 9 1H5' G 9 -7.648 1.441 17.029 93 2H5* G 9 2H5' G 9 -8.878 0.984 18.219 94 H4* G 9 H4' G 9 -7.142 -0.646 18.227 95 H3* G 9 H3' G 9 -7.957 0.707 20.602 96 1H2* G 9 1H2' G 9 -5.492 0.341 21.722 97 2H2* G 9 2H2' G 9 -5.864 1.821 20.786 98 H1* G 9 H1' G 9 -4.663 -0.765 19.689 99 H8 G 9 H8 G 9 -3.975 3.004 19.018 100 H1 G 9 H1 G 9 0.932 -0.218 21.631 101 1H2 G 9 1H2 G 9 -1.304 -2.954 21.363 102 2H2 G 9 2H2 G 9 0.356 -2.483 21.703 103 1H5* T 10 1H5' T 10 -5.458 -3.428 20.830 104 2H5* T 10 2H5' T 10 -6.478 -4.394 21.912 105 H4* T 10 H4' T 10 -4.137 -5.097 22.020 106 H3* T 10 H3' T 10 -5.753 -4.652 24.266 107 1H2* T 10 1H2' T 10 -3.738 -3.613 25.767 108 2H2* T 10 2H2' T 10 -4.759 -2.558 24.759 109 H1* T 10 H1' T 10 -2.111 -3.861 23.971 110 H3 T 10 H3 T 10 0.266 -0.132 25.155 111 1H5M T 10 1H5M T 10 -3.391 2.658 24.262 112 2H5M T 10 2H5M T 10 -3.447 2.117 22.576 113 3H5M T 10 3H5M T 10 -4.663 1.540 23.741 114 H6 T 10 H6 T 10 -4.105 -0.801 23.278 115 1H5* C 11 1H5' C 11 -1.381 -6.659 24.866 116 2H5* C 11 2H5' C 11 -1.711 -8.035 25.935 117 H4* C 11 H4' C 11 0.548 -7.191 26.276 118 H3* C 11 H3' C 11 -1.282 -7.660 28.381 119 1H2* C 11 1H2' C 11 -0.252 -5.637 29.889 120 2H2* C 11 2H2' C 11 -1.613 -5.354 28.778 121 H1* C 11 H1' C 11 1.364 -5.035 28.147 122 1H4 C 11 1H4 C 11 -1.558 1.028 27.962 123 2H4 C 11 2H4 C 11 0.065 1.245 28.588 124 H5 C 11 H5 C 11 -2.479 -1.202 27.455 125 H6 C 11 H6 C 11 -1.959 -3.559 27.366 126 1H5* A 12 1H5' A 12 3.514 -7.564 29.148 127 2H5* A 12 2H5' A 12 3.785 -8.819 30.374 128 H4* A 12 H4' A 12 5.459 -7.011 30.490 129 H3* A 12 H3' A 12 4.231 -8.118 32.710 130 1H2* A 12 1H2' A 12 3.770 -5.790 34.006 131 2H2* A 12 2H2' A 12 2.571 -6.397 32.848 132 H1* A 12 H1' A 12 4.846 -4.435 32.295 133 H8 A 12 H8 A 12 1.048 -5.072 31.614 134 1H6 A 12 1H6 A 12 0.432 1.061 32.030 135 2H6 A 12 2H6 A 12 -0.361 -0.485 31.739 136 H2 A 12 H2 A 12 4.771 0.066 32.545 137 1H5* C 13 1H5' C 13 7.924 -5.016 33.320 138 2H5* C 13 2H5' C 13 8.881 -5.734 34.630 139 H4* C 13 H4' C 13 9.099 -3.284 34.569 140 H3* C 13 H3' C 13 8.513 -4.787 36.892 141 1H2* C 13 1H2' C 13 7.136 -2.645 37.958 142 2H2* C 13 2H2' C 13 6.336 -4.016 37.140 143 H1* C 13 H1' C 13 7.177 -1.329 35.967 144 1H4 C 13 1H4 C 13 0.618 -2.243 34.843 145 2H4 C 13 2H4 C 13 0.837 -0.559 35.281 146 H5 C 13 H5 C 13 2.435 -3.887 35.025 147 H6 C 13 H6 C 13 4.823 -4.129 35.342 148 1H5* A 14 1H5' A 14 9.445 -0.216 38.264 149 2H5* A 14 2H5' A 14 10.470 -0.454 39.693 150 H4* A 14 H4' A 14 8.830 1.165 40.264 151 H3* A 14 H3' A 14 9.033 -1.259 41.744 152 1H2* A 14 1H2' A 14 6.380 -1.174 42.379 153 2H2* A 14 2H2' A 14 6.955 -2.059 40.933 154 H1* A 14 H1' A 14 6.029 0.853 41.066 155 H8 A 14 H8 A 14 5.341 -2.583 39.331 156 1H6 A 14 1H6 A 14 -0.181 -0.237 37.913 157 2H6 A 14 2H6 A 14 0.909 -1.617 37.807 158 H2 A 14 H2 A 14 2.132 2.929 40.057 159 1H5* T 15 1H5' T 15 7.826 2.890 43.946 160 2H5* T 15 2H5' T 15 8.310 2.704 45.644 161 H4* T 15 H4' T 15 6.336 4.201 45.317 162 H3* T 15 H3' T 15 6.545 2.358 47.358 163 1H2* T 15 1H2' T 15 4.063 1.303 47.121 164 2H2* T 15 2H2' T 15 5.404 0.645 46.185 165 H1* T 15 H1' T 15 3.461 2.850 45.373 166 H3 T 15 H3 T 15 0.800 0.702 42.398 167 1H5M T 15 1H5M T 15 4.950 -2.608 43.639 168 2H5M T 15 2H5M T 15 3.308 -3.226 43.381 169 3H5M T 15 3H5M T 15 4.269 -2.682 41.998 170 H6 T 15 H6 T 15 5.042 -0.394 44.369 171 1H5* G 16 1H5' G 16 3.002 5.771 47.622 172 2H5* G 16 2H5' G 16 2.897 6.092 49.363 173 H4* G 16 H4' G 16 0.753 6.520 48.271 174 H3* G 16 H3' G 16 0.967 5.002 50.596 175 1H2* G 16 1H2' G 16 -0.918 3.182 49.855 176 2H2* G 16 2H2' G 16 0.819 2.897 49.532 177 H1* G 16 H1' G 16 -1.293 4.022 47.649 178 H8 G 16 H8 G 16 2.088 2.113 47.509 179 H1 G 16 H1 G 16 -2.665 -0.771 44.316 180 1H2 G 16 1H2 G 16 -4.591 1.923 45.600 181 2H2 G 16 2H2 G 16 -4.640 0.443 44.671 182 H3T G 16 H3T G 16 -1.397 5.675 49.157 183 1H5* C 1 1H5' C 1 -9.984 -5.987 42.849 184 2H5* C 1 2H5' C 1 -8.340 -6.132 42.192 185 H4* C 1 H4' C 1 -9.119 -4.471 44.633 186 H3* C 1 H3' C 1 -9.553 -3.812 41.915 187 1H2* C 1 1H2' C 1 -7.519 -1.997 41.920 188 2H2* C 1 2H2' C 1 -7.247 -3.688 41.402 189 H1* C 1 H1' C 1 -6.939 -2.539 44.223 190 1H4 C 1 1H4 C 1 -0.707 -4.107 42.378 191 2H4 C 1 2H4 C 1 -0.712 -2.483 43.040 192 H5 C 1 H5 C 1 -2.820 -5.417 42.178 193 H6 C 1 H6 C 1 -5.198 -5.354 42.544 194 H5T C 1 H5' C 1 -7.724 -6.996 44.231 195 1H5* A 2 1H5' A 2 -8.550 0.160 44.597 196 2H5* A 2 2H5' A 2 -9.823 1.280 44.080 197 H4* A 2 H4' A 2 -7.788 2.486 44.456 198 H3* A 2 H3' A 2 -9.206 2.707 42.001 199 1H2* A 2 1H2' A 2 -6.904 3.189 40.601 200 2H2* A 2 2H2' A 2 -7.530 1.530 40.822 201 H1* A 2 H1' A 2 -5.535 2.988 42.632 202 H8 A 2 H8 A 2 -6.026 -0.065 40.255 203 1H6 A 2 1H6 A 2 -0.002 -1.071 40.914 204 2H6 A 2 2H6 A 2 -1.513 -1.552 40.151 205 H2 A 2 H2 A 2 -1.009 2.691 43.155 206 1H5* T 3 1H5' T 3 -5.708 5.618 43.243 207 2H5* T 3 2H5' T 3 -6.092 7.268 42.718 208 H4* T 3 H4' T 3 -3.713 6.824 42.621 209 H3* T 3 H3' T 3 -5.211 7.809 40.352 210 1H2* T 3 1H2' T 3 -3.168 6.928 38.751 211 2H2* T 3 2H2' T 3 -4.654 5.995 39.037 212 H1* T 3 H1' T 3 -2.050 5.868 40.617 213 H3 T 3 H3 T 3 -0.298 1.934 39.122 214 1H5M T 3 1H5M T 3 -5.593 1.792 38.055 215 2H5M T 3 2H5M T 3 -4.631 1.841 36.558 216 3H5M T 3 3H5M T 3 -4.489 0.460 37.662 217 H6 T 3 H6 T 3 -4.712 3.830 38.956 218 1H5* G 4 1H5' G 4 -0.520 8.520 40.913 219 2H5* G 4 2H5' G 4 -0.116 10.098 40.215 220 H4* G 4 H4' G 4 1.686 8.550 39.906 221 H3* G 4 H3' G 4 0.562 9.995 37.718 222 1H2* G 4 1H2' G 4 1.234 8.033 35.960 223 2H2* G 4 2H2' G 4 -0.350 8.005 36.785 224 H1* G 4 H1' G 4 2.223 6.696 37.781 225 H8 G 4 H8 G 4 -1.487 5.861 36.845 226 H1 G 4 H1 G 4 2.729 1.073 36.086 227 1H2 G 4 1H2 G 4 5.015 3.507 37.249 228 2H2 G 4 2H2 G 4 4.847 1.874 36.630 229 1H5* T 5 1H5' T 5 4.830 7.834 37.560 230 2H5* T 5 2H5' T 5 5.928 8.937 36.712 231 H4* T 5 H4' T 5 6.546 6.582 36.413 232 H3* T 5 H3' T 5 6.177 8.436 34.215 233 1H2* T 5 1H2' T 5 6.027 6.163 32.621 234 2H2* T 5 2H2' T 5 4.616 7.113 33.151 235 H1* T 5 H1' T 5 5.846 4.667 34.506 236 H3 T 5 H3 T 5 2.643 1.836 32.809 237 1H5M T 5 1H5M T 5 -0.005 6.022 32.359 238 2H5M T 5 2H5M T 5 -0.677 5.038 33.675 239 3H5M T 5 3H5M T 5 0.222 6.521 34.051 240 H6 T 5 H6 T 5 2.611 6.445 34.150 241 1H5* G 6 1H5' G 6 9.007 4.628 33.669 242 2H5* G 6 2H5' G 6 10.380 5.106 32.653 243 H4* G 6 H4' G 6 9.621 2.857 32.121 244 H3* G 6 H3' G 6 9.968 4.879 30.134 245 1H2* G 6 1H2' G 6 8.066 3.721 28.550 246 2H2* G 6 2H2' G 6 7.643 5.003 29.721 247 H1* G 6 H1' G 6 7.610 1.991 30.238 248 H8 G 6 H8 G 6 5.398 5.195 30.695 249 H1 G 6 H1 G 6 2.196 -0.116 29.020 250 1H2 G 6 1H2 G 6 5.412 -1.568 29.087 251 2H2 G 6 2H2 G 6 3.706 -1.859 28.807 252 1H5* A 7 1H5' A 7 9.834 0.173 29.096 253 2H5* A 7 2H5' A 7 11.079 -0.066 27.857 254 H4* A 7 H4' A 7 9.279 -1.684 27.611 255 H3* A 7 H3' A 7 10.272 -0.146 25.466 256 1H2* A 7 1H2' A 7 7.844 0.025 24.251 257 2H2* A 7 2H2' A 7 8.335 1.253 25.452 258 H1* A 7 H1' A 7 6.783 -1.322 26.021 259 H8 A 7 H8 A 7 6.723 2.501 26.853 260 1H6 A 7 1H6 A 7 0.649 2.149 25.853 261 2H6 A 7 2H6 A 7 2.000 3.149 26.381 262 H2 A 7 H2 A 7 2.367 -1.955 25.314 263 1H5* C 8 1H5' C 8 7.745 -4.208 24.777 264 2H5* C 8 2H5' C 8 8.535 -5.008 23.406 265 H4* C 8 H4' C 8 6.146 -5.589 23.604 266 H3* C 8 H3' C 8 7.394 -4.957 21.194 267 1H2* C 8 1H2' C 8 5.347 -3.501 20.208 268 2H2* C 8 2H2' C 8 6.586 -2.706 21.208 269 H1* C 8 H1' C 8 3.958 -3.930 22.166 270 1H4 C 8 1H4 C 8 3.696 2.757 22.886 271 2H4 C 8 2H4 C 8 2.136 2.180 22.310 272 H5 C 8 H5 C 8 5.624 1.194 23.126 273 H6 C 8 H6 C 8 6.282 -1.132 22.971 274 1H5* G 9 1H5' G 9 2.695 -5.994 21.167 275 2H5* G 9 2H5' G 9 2.617 -7.331 20.008 276 H4* G 9 H4' G 9 0.524 -6.187 20.022 277 H3* G 9 H3' G 9 2.014 -6.601 17.625 278 1H2* G 9 1H2' G 9 0.877 -4.399 16.475 279 2H2* G 9 2H2' G 9 2.420 -4.272 17.373 280 H1* G 9 H1' G 9 -0.386 -3.900 18.521 281 H8 G 9 H8 G 9 2.997 -2.074 19.098 282 H1 G 9 H1 G 9 -1.608 1.559 16.479 283 1H2 G 9 1H2 G 9 -3.518 -1.408 16.818 284 2H2 G 9 2H2 G 9 -3.586 0.310 16.446 285 1H5* T 10 1H5' T 10 -2.692 -5.470 17.433 286 2H5* T 10 2H5' T 10 -3.316 -6.762 16.390 287 H4* T 10 H4' T 10 -4.687 -4.748 16.218 288 H3* T 10 H3' T 10 -3.753 -6.212 14.017 289 1H2* T 10 1H2' T 10 -3.394 -4.012 12.458 290 2H2* T 10 2H2' T 10 -2.073 -4.641 13.474 291 H1* T 10 H1' T 10 -4.114 -2.491 14.213 292 H3 T 10 H3 T 10 -1.269 0.912 13.067 293 1H5M T 10 1H5M T 10 1.795 -3.307 14.480 294 2H5M T 10 2H5M T 10 2.477 -1.788 13.878 295 3H5M T 10 3H5M T 10 2.023 -1.929 15.583 296 H6 T 10 H6 T 10 -0.595 -3.478 14.897 297 1H5* C 11 1H5' C 11 -6.919 -2.637 13.187 298 2H5* C 11 2H5' C 11 -8.106 -3.382 12.099 299 H4* C 11 H4' C 11 -7.889 -1.016 11.618 300 H3* C 11 H3' C 11 -7.632 -3.039 9.626 301 1H2* C 11 1H2' C 11 -6.003 -1.428 8.139 302 2H2* C 11 2H2' C 11 -5.345 -2.603 9.303 303 H1* C 11 H1' C 11 -6.029 0.328 9.851 304 1H4 C 11 1H4 C 11 0.640 -0.446 10.359 305 2H4 C 11 2H4 C 11 0.344 1.148 9.692 306 H5 C 11 H5 C 11 -1.188 -2.039 10.803 307 H6 C 11 H6 C 11 -3.587 -2.320 10.782 308 1H5* A 12 1H5' A 12 -9.041 1.482 8.511 309 2H5* A 12 2H5' A 12 -10.221 1.268 7.204 310 H4* A 12 H4' A 12 -9.018 3.408 7.031 311 H3* A 12 H3' A 12 -9.473 1.720 4.869 312 1H2* A 12 1H2' A 12 -7.019 2.015 3.760 313 2H2* A 12 2H2' A 12 -7.292 0.748 4.977 314 H1* A 12 H1' A 12 -6.280 3.589 5.467 315 H8 A 12 H8 A 12 -5.606 -0.159 6.358 316 1H6 A 12 1H6 A 12 0.368 1.415 6.371 317 2H6 A 12 2H6 A 12 -0.821 0.137 6.604 318 H2 A 12 H2 A 12 -2.036 5.102 5.526 319 1H5* C 13 1H5' C 13 -7.796 6.207 4.167 320 2H5* C 13 2H5' C 13 -8.669 6.794 2.739 321 H4* C 13 H4' C 13 -6.459 7.855 2.975 322 H3* C 13 H3' C 13 -7.438 6.701 0.590 323 1H2* C 13 1H2' C 13 -4.874 6.084 -0.210 324 2H2* C 13 2H2' C 13 -5.962 4.903 0.572 325 H1* C 13 H1' C 13 -3.846 6.679 1.865 326 1H4 C 13 1H4 C 13 -2.515 0.271 3.374 327 2H4 C 13 2H4 C 13 -0.981 1.057 3.047 328 H5 C 13 H5 C 13 -4.667 1.379 2.940 329 H6 C 13 H6 C 13 -5.698 3.512 2.456 330 1H5* A 14 1H5' A 14 -3.328 9.102 -0.497 331 2H5* A 14 2H5' A 14 -3.770 9.912 -2.013 332 H4* A 14 H4' A 14 -1.640 8.919 -2.338 333 H3* A 14 H3' A 14 -3.833 8.195 -4.005 334 1H2* A 14 1H2' A 14 -2.780 5.713 -4.434 335 2H2* A 14 2H2' A 14 -3.940 6.006 -3.103 336 H1* A 14 H1' A 14 -0.888 6.155 -2.955 337 H8 A 14 H8 A 14 -4.022 4.380 -1.431 338 1H6 A 14 1H6 A 14 -0.058 0.097 0.553 339 2H6 A 14 2H6 A 14 -1.733 0.635 0.470 340 H2 A 14 H2 A 14 2.303 3.281 -1.515 341 1H5* T 15 1H5' T 15 0.670 8.420 -5.783 342 2H5* T 15 2H5' T 15 0.494 8.744 -7.519 343 H4* T 15 H4' T 15 2.544 7.438 -6.948 344 H3* T 15 H3' T 15 0.935 6.897 -9.124 345 1H2* T 15 1H2' T 15 0.807 4.213 -8.788 346 2H2* T 15 2H2' T 15 -0.365 5.268 -7.999 347 H1* T 15 H1' T 15 2.301 4.275 -6.895 348 H3 T 15 H3 T 15 0.952 1.140 -3.902 349 1H5M T 15 1H5M T 15 -3.494 2.051 -5.340 350 2H5M T 15 2H5M T 15 -3.453 3.207 -4.002 351 3H5M T 15 3H5M T 15 -3.467 3.791 -5.681 352 H6 T 15 H6 T 15 -1.368 4.638 -6.242 353 1H5* G 16 1H5' G 16 5.388 4.836 -8.904 354 2H5* G 16 2H5' G 16 5.889 4.772 -10.605 355 H4* G 16 H4' G 16 6.949 2.985 -9.314 356 H3* G 16 H3' G 16 5.693 2.525 -11.756 357 1H2* G 16 1H2' G 16 4.603 0.145 -11.010 358 2H2* G 16 2H2' G 16 3.685 1.672 -10.845 359 H1* G 16 H1' G 16 5.303 0.204 -8.725 360 H8 G 16 H8 G 16 2.287 2.639 -9.011 361 H1 G 16 H1 G 16 1.048 -2.663 -5.626 362 1H2 G 16 1H2 G 16 4.376 -3.510 -6.544 363 2H2 G 16 2H2 G 16 2.935 -4.057 -5.718 364 H3T G 16 H3T G 16 7.013 0.627 -10.093 Start of MODEL 2 1 1H5* C 1 1H5' C 1 -1.108 -8.809 -7.051 2 2H5* C 1 2H5' C 1 -0.396 -9.917 -5.865 3 H4* C 1 H4' C 1 1.310 -8.592 -7.099 4 H3* C 1 H3' C 1 1.338 -9.075 -4.360 5 1H2* C 1 1H2' C 1 2.240 -6.588 -3.720 6 2H2* C 1 2H2' C 1 0.491 -6.945 -3.760 7 H1* C 1 H1' C 1 2.247 -5.838 -6.003 8 1H4 C 1 1H4 C 1 -2.150 -0.985 -4.610 9 2H4 C 1 2H4 C 1 -0.539 -0.293 -4.671 10 H5 C 1 H5 C 1 -2.512 -3.429 -4.966 11 H6 C 1 H6 C 1 -1.407 -5.528 -5.377 12 H5T C 1 H5' C 1 -2.194 -8.754 -5.046 13 1H5* A 2 1H5' A 2 5.249 -6.447 -5.683 14 2H5* A 2 2H5' A 2 6.581 -7.304 -4.889 15 H4* A 2 H4' A 2 6.967 -4.933 -4.843 16 H3* A 2 H3' A 2 7.102 -6.509 -2.481 17 1H2* A 2 1H2' A 2 6.300 -4.408 -0.921 18 2H2* A 2 2H2' A 2 5.119 -5.554 -1.619 19 H1* A 2 H1' A 2 6.090 -2.934 -2.871 20 H8 A 2 H8 A 2 2.980 -4.825 -1.467 21 1H6 A 2 1H6 A 2 -0.073 0.466 -2.172 22 2H6 A 2 2H6 A 2 -0.117 -1.218 -1.655 23 H2 A 2 H2 A 2 4.212 1.197 -3.305 24 1H5* T 3 1H5' T 3 8.808 -2.105 -2.869 25 2H5* T 3 2H5' T 3 10.317 -1.990 -1.946 26 H4* T 3 H4' T 3 9.117 0.122 -1.988 27 H3* T 3 H3' T 3 10.021 -1.113 0.446 28 1H2* T 3 1H2' T 3 8.121 0.271 1.824 29 2H2* T 3 2H2' T 3 7.846 -1.386 1.235 30 H1* T 3 H1' T 3 7.240 1.213 -0.242 31 H3 T 3 H3 T 3 2.719 1.515 0.212 32 1H5M T 3 1H5M T 3 3.397 -2.873 2.575 33 2H5M T 3 2H5M T 3 2.362 -3.059 1.146 34 3H5M T 3 3H5M T 3 4.034 -3.651 1.106 35 H6 T 3 H6 T 3 5.835 -2.096 0.798 36 1H5* G 4 1H5' G 4 9.058 3.570 0.056 37 2H5* G 4 2H5' G 4 10.214 4.438 1.082 38 H4* G 4 H4' G 4 8.095 5.583 1.012 39 H3* G 4 H3' G 4 9.370 4.912 3.471 40 1H2* G 4 1H2' G 4 6.990 4.730 4.764 41 2H2* G 4 2H2' G 4 7.699 3.297 3.970 42 H1* G 4 H1' G 4 5.767 5.292 2.689 43 H8 G 4 H8 G 4 6.233 1.479 3.427 44 H1 G 4 H1 G 4 0.139 3.438 2.939 45 1H2 G 4 1H2 G 4 1.641 6.589 2.421 46 2H2 G 4 2H2 G 4 0.121 5.731 2.597 47 1H5* T 5 1H5' T 5 5.834 8.098 3.092 48 2H5* T 5 2H5' T 5 6.238 9.463 4.148 49 H4* T 5 H4' T 5 3.814 9.140 3.896 50 H3* T 5 H3' T 5 5.152 9.344 6.461 51 1H2* T 5 1H2' T 5 2.809 8.260 7.502 52 2H2* T 5 2H2' T 5 4.314 7.345 7.243 53 H1* T 5 H1' T 5 1.945 7.648 5.338 54 H3 T 5 H3 T 5 0.269 3.476 6.301 55 1H5M T 5 1H5M T 5 5.673 3.132 6.315 56 2H5M T 5 2H5M T 5 4.920 2.589 7.834 57 3H5M T 5 3H5M T 5 4.613 1.709 6.323 58 H6 T 5 H6 T 5 4.700 5.319 6.203 59 1H5* G 6 1H5' G 6 0.532 10.487 6.121 60 2H5* G 6 2H5' G 6 0.230 11.863 7.200 61 H4* G 6 H4' G 6 -1.606 10.288 7.275 62 H3* G 6 H3' G 6 -0.266 11.183 9.634 63 1H2* G 6 1H2' G 6 -0.914 8.869 10.937 64 2H2* G 6 2H2' G 6 0.633 9.036 10.056 65 H1* G 6 H1' G 6 -1.991 7.955 8.927 66 H8 G 6 H8 G 6 1.827 7.087 9.146 67 H1 G 6 H1 G 6 -2.153 2.059 9.546 68 1H2 G 6 1H2 G 6 -4.638 4.560 9.310 69 2H2 G 6 2H2 G 6 -4.340 2.841 9.471 70 1H5* A 7 1H5' A 7 -4.703 9.208 9.816 71 2H5* A 7 2H5' A 7 -5.567 10.194 11.010 72 H4* A 7 H4' A 7 -6.401 7.925 11.052 73 H3* A 7 H3' A 7 -5.551 9.274 13.383 74 1H2* A 7 1H2' A 7 -4.639 6.994 14.554 75 2H2* A 7 2H2' A 7 -3.556 7.968 13.520 76 H1* A 7 H1' A 7 -5.331 5.648 12.607 77 H8 A 7 H8 A 7 -1.653 6.969 12.359 78 1H6 A 7 1H6 A 7 0.004 1.047 12.853 79 2H6 A 7 2H6 A 7 0.531 2.709 12.605 80 H2 A 7 H2 A 7 -4.474 1.228 12.877 81 1H5* C 8 1H5' C 8 -8.548 5.440 13.637 82 2H5* C 8 2H5' C 8 -9.649 5.836 14.970 83 H4* C 8 H4' C 8 -9.339 3.409 14.698 84 H3* C 8 H3' C 8 -9.262 4.717 17.167 85 1H2* C 8 1H2' C 8 -7.257 3.201 18.172 86 2H2* C 8 2H2' C 8 -6.886 4.692 17.273 87 H1* C 8 H1' C 8 -7.109 1.864 16.142 88 1H4 C 8 1H4 C 8 -0.706 3.917 15.819 89 2H4 C 8 2H4 C 8 -0.728 2.199 16.199 90 H5 C 8 H5 C 8 -2.812 5.224 15.659 91 H6 C 8 H6 C 8 -5.227 5.049 15.678 92 1H5* G 9 1H5' G 9 -8.685 -0.075 17.133 93 2H5* G 9 2H5' G 9 -9.906 -0.616 18.297 94 H4* G 9 H4' G 9 -8.125 -2.158 18.324 95 H3* G 9 H3' G 9 -8.940 -0.801 20.710 96 1H2* G 9 1H2' G 9 -6.460 -1.190 21.802 97 2H2* G 9 2H2' G 9 -6.853 0.305 20.901 98 H1* G 9 H1' G 9 -5.639 -2.247 19.743 99 H8 G 9 H8 G 9 -4.997 1.554 19.177 100 H1 G 9 H1 G 9 0.004 -1.746 21.505 101 1H2 G 9 1H2 G 9 -2.271 -4.459 21.281 102 2H2 G 9 2H2 G 9 -0.601 -4.009 21.598 103 1H5* T 10 1H5' T 10 -6.405 -4.919 20.991 104 2H5* T 10 2H5' T 10 -7.371 -5.871 22.133 105 H4* T 10 H4' T 10 -5.014 -6.485 22.258 106 H3* T 10 H3' T 10 -6.604 -5.879 24.512 107 1H2* T 10 1H2' T 10 -4.485 -4.835 25.885 108 2H2* T 10 2H2' T 10 -5.552 -3.808 24.892 109 H1* T 10 H1' T 10 -2.964 -5.176 24.013 110 H3 T 10 H3 T 10 -0.459 -1.444 24.880 111 1H5M T 10 1H5M T 10 -4.244 1.303 24.309 112 2H5M T 10 2H5M T 10 -4.210 0.893 22.588 113 3H5M T 10 3H5M T 10 -5.473 0.216 23.642 114 H6 T 10 H6 T 10 -4.965 -2.114 23.359 115 1H5* C 11 1H5' C 11 -2.235 -7.804 25.161 116 2H5* C 11 2H5' C 11 -2.512 -9.104 26.336 117 H4* C 11 H4' C 11 -0.292 -8.183 26.611 118 H3* C 11 H3' C 11 -2.159 -8.411 28.760 119 1H2* C 11 1H2' C 11 -0.950 -6.331 30.063 120 2H2* C 11 2H2' C 11 -2.357 -6.085 29.001 121 H1* C 11 H1' C 11 0.591 -5.936 28.202 122 1H4 C 11 1H4 C 11 -2.087 0.207 27.596 123 2H4 C 11 2H4 C 11 -0.438 0.404 28.156 124 H5 C 11 H5 C 11 -3.126 -2.017 27.341 125 H6 C 11 H6 C 11 -2.706 -4.396 27.434 126 1H5* A 12 1H5' A 12 2.627 -8.270 29.544 127 2H5* A 12 2H5' A 12 2.891 -9.409 30.878 128 H4* A 12 H4' A 12 4.529 -7.587 30.916 129 H3* A 12 H3' A 12 3.132 -8.454 33.171 130 1H2* A 12 1H2' A 12 2.749 -5.978 34.203 131 2H2* A 12 2H2' A 12 1.565 -6.651 33.058 132 H1* A 12 H1' A 12 3.978 -4.900 32.381 133 H8 A 12 H8 A 12 0.140 -5.309 31.735 134 1H6 A 12 1H6 A 12 0.015 0.852 31.394 135 2H6 A 12 2H6 A 12 -0.895 -0.653 31.295 136 H2 A 12 H2 A 12 4.267 -0.410 32.069 137 1H5* C 13 1H5' C 13 7.072 -5.605 33.685 138 2H5* C 13 2H5' C 13 7.876 -6.283 35.114 139 H4* C 13 H4' C 13 8.358 -3.892 34.853 140 H3* C 13 H3' C 13 7.614 -5.057 37.270 141 1H2* C 13 1H2' C 13 6.028 -3.000 38.059 142 2H2* C 13 2H2' C 13 5.358 -4.341 37.117 143 H1* C 13 H1' C 13 6.486 -1.699 36.061 144 1H4 C 13 1H4 C 13 -0.085 -2.049 34.638 145 2H4 C 13 2H4 C 13 0.315 -0.354 34.844 146 H5 C 13 H5 C 13 1.557 -3.833 35.012 147 H6 C 13 H6 C 13 3.887 -4.288 35.442 148 1H5* A 14 1H5' A 14 9.431 -0.508 37.239 149 2H5* A 14 2H5' A 14 10.609 -0.640 38.559 150 H4* A 14 H4' A 14 9.891 1.659 38.310 151 H3* A 14 H3' A 14 9.963 0.346 40.740 152 1H2* A 14 1H2' A 14 7.641 1.458 41.670 153 2H2* A 14 2H2' A 14 7.674 -0.140 40.882 154 H1* A 14 H1' A 14 6.950 2.558 39.737 155 H8 A 14 H8 A 14 6.222 -1.263 39.420 156 1H6 A 14 1H6 A 14 0.452 0.362 37.967 157 2H6 A 14 2H6 A 14 1.613 -0.946 38.191 158 H2 A 14 H2 A 14 2.793 4.107 38.671 159 1H5* T 15 1H5' T 15 8.448 4.814 41.350 160 2H5* T 15 2H5' T 15 9.095 5.423 42.887 161 H4* T 15 H4' T 15 6.709 5.891 42.726 162 H3* T 15 H3' T 15 7.830 4.497 44.948 163 1H2* T 15 1H2' T 15 5.505 3.117 45.344 164 2H2* T 15 2H2' T 15 6.800 2.484 44.291 165 H1* T 15 H1' T 15 4.525 4.331 43.430 166 H3 T 15 H3 T 15 1.516 1.577 41.491 167 1H5M T 15 1H5M T 15 4.438 -2.062 41.695 168 2H5M T 15 2H5M T 15 5.956 -1.374 42.290 169 3H5M T 15 3H5M T 15 4.679 -1.838 43.439 170 H6 T 15 H6 T 15 5.996 0.917 43.065 171 1H5* G 16 1H5' G 16 4.436 7.842 45.411 172 2H5* G 16 2H5' G 16 4.541 8.432 47.082 173 H4* G 16 H4' G 16 2.277 8.729 46.171 174 H3* G 16 H3' G 16 2.736 7.606 48.673 175 1H2* G 16 1H2' G 16 0.816 5.688 48.436 176 2H2* G 16 2H2' G 16 2.512 5.348 47.979 177 H1* G 16 H1' G 16 0.201 6.172 46.182 178 H8 G 16 H8 G 16 3.575 4.231 45.885 179 H1 G 16 H1 G 16 -1.581 0.818 44.183 180 1H2 G 16 1H2 G 16 -3.318 3.791 45.063 181 2H2 G 16 2H2 G 16 -3.490 2.144 44.501 182 H3T G 16 H3T G 16 0.478 7.931 48.959 183 1H5* C 1 1H5' C 1 -9.013 -4.345 45.196 184 2H5* C 1 2H5' C 1 -7.466 -4.722 44.410 185 H4* C 1 H4' C 1 -7.928 -2.428 46.371 186 H3* C 1 H3' C 1 -8.703 -2.533 43.645 187 1H2* C 1 1H2' C 1 -6.702 -0.825 42.924 188 2H2* C 1 2H2' C 1 -6.483 -2.598 42.836 189 H1* C 1 H1' C 1 -5.817 -0.754 45.186 190 1H4 C 1 1H4 C 1 0.093 -2.990 42.992 191 2H4 C 1 2H4 C 1 0.178 -1.246 43.147 192 H5 C 1 H5 C 1 -2.014 -4.226 43.484 193 H6 C 1 H6 C 1 -4.317 -3.978 44.145 194 H5T C 1 H5' C 1 -6.596 -5.007 46.520 195 1H5* A 2 1H5' A 2 -7.425 1.951 45.037 196 2H5* A 2 2H5' A 2 -8.751 2.949 44.415 197 H4* A 2 H4' A 2 -6.657 4.126 44.247 198 H3* A 2 H3' A 2 -8.409 3.859 42.027 199 1H2* A 2 1H2' A 2 -6.327 3.907 40.251 200 2H2* A 2 2H2' A 2 -6.938 2.367 40.923 201 H1* A 2 H1' A 2 -4.685 4.099 42.060 202 H8 A 2 H8 A 2 -5.551 0.581 40.600 203 1H6 A 2 1H6 A 2 0.510 -0.480 40.670 204 2H6 A 2 2H6 A 2 -1.099 -1.097 40.298 205 H2 A 2 H2 A 2 -0.152 3.766 41.960 206 1H5* T 3 1H5' T 3 -4.817 6.958 42.266 207 2H5* T 3 2H5' T 3 -5.339 8.471 41.504 208 H4* T 3 H4' T 3 -2.943 8.126 41.259 209 H3* T 3 H3' T 3 -4.670 8.698 39.042 210 1H2* T 3 1H2' T 3 -2.928 7.477 37.358 211 2H2* T 3 2H2' T 3 -4.289 6.593 38.089 212 H1* T 3 H1' T 3 -1.475 6.886 39.229 213 H3 T 3 H3 T 3 0.350 2.795 38.390 214 1H5M T 3 1H5M T 3 -3.873 0.857 37.844 215 2H5M T 3 2H5M T 3 -5.009 2.199 38.086 216 3H5M T 3 3H5M T 3 -4.240 1.954 36.500 217 H6 T 3 H6 T 3 -4.168 4.434 38.366 218 1H5* G 4 1H5' G 4 0.071 9.452 38.989 219 2H5* G 4 2H5' G 4 0.386 10.890 38.002 220 H4* G 4 H4' G 4 2.194 9.269 37.847 221 H3* G 4 H3' G 4 0.969 10.435 35.555 222 1H2* G 4 1H2' G 4 1.470 8.231 34.051 223 2H2* G 4 2H2' G 4 -0.051 8.377 34.971 224 H1* G 4 H1' G 4 2.542 7.096 35.972 225 H8 G 4 H8 G 4 -1.269 6.412 35.446 226 H1 G 4 H1 G 4 2.440 1.178 35.356 227 1H2 G 4 1H2 G 4 5.035 3.517 35.845 228 2H2 G 4 2H2 G 4 4.649 1.824 35.587 229 1H5* T 5 1H5' T 5 5.112 8.103 35.505 230 2H5* T 5 2H5' T 5 6.218 8.985 34.437 231 H4* T 5 H4' T 5 6.688 6.572 34.522 232 H3* T 5 H3' T 5 6.331 8.063 32.058 233 1H2* T 5 1H2' T 5 5.991 5.568 30.876 234 2H2* T 5 2H2' T 5 4.660 6.681 31.276 235 H1* T 5 H1' T 5 5.791 4.417 32.987 236 H3 T 5 H3 T 5 2.318 1.568 31.979 237 1H5M T 5 1H5M T 5 -0.721 5.120 32.417 238 2H5M T 5 2H5M T 5 0.294 6.576 32.430 239 3H5M T 5 3H5M T 5 -0.093 5.772 30.890 240 H6 T 5 H6 T 5 2.670 6.336 32.427 241 1H5* G 6 1H5' G 6 8.888 4.055 32.140 242 2H5* G 6 2H5' G 6 10.263 4.245 31.035 243 H4* G 6 H4' G 6 9.361 1.989 30.937 244 H3* G 6 H3' G 6 9.764 3.593 28.611 245 1H2* G 6 1H2' G 6 7.757 2.291 27.299 246 2H2* G 6 2H2' G 6 7.438 3.786 28.223 247 H1* G 6 H1' G 6 7.245 0.925 29.280 248 H8 G 6 H8 G 6 5.241 4.294 29.201 249 H1 G 6 H1 G 6 1.663 -1.010 28.617 250 1H2 G 6 1H2 G 6 4.801 -2.625 28.766 251 2H2 G 6 2H2 G 6 3.071 -2.856 28.606 252 1H5* A 7 1H5' A 7 9.241 -1.222 28.329 253 2H5* A 7 2H5' A 7 10.441 -1.718 27.121 254 H4* A 7 H4' A 7 8.538 -3.210 27.062 255 H3* A 7 H3' A 7 9.557 -1.950 24.749 256 1H2* A 7 1H2' A 7 7.106 -1.765 23.583 257 2H2* A 7 2H2' A 7 7.702 -0.452 24.637 258 H1* A 7 H1' A 7 6.032 -2.862 25.513 259 H8 A 7 H8 A 7 6.189 1.034 25.846 260 1H6 A 7 1H6 A 7 0.044 0.864 25.370 261 2H6 A 7 2H6 A 7 1.475 1.852 25.650 262 H2 A 7 H2 A 7 1.550 -3.354 25.203 263 1H5* C 8 1H5' C 8 6.795 -5.945 24.438 264 2H5* C 8 2H5' C 8 7.499 -6.864 23.095 265 H4* C 8 H4' C 8 5.087 -7.283 23.354 266 H3* C 8 H3' C 8 6.326 -6.782 20.896 267 1H2* C 8 1H2' C 8 4.281 -5.309 19.907 268 2H2* C 8 2H2' C 8 5.592 -4.523 20.821 269 H1* C 8 H1' C 8 2.959 -5.600 21.937 270 1H4 C 8 1H4 C 8 2.986 1.118 22.382 271 2H4 C 8 2H4 C 8 1.354 0.591 21.993 272 H5 C 8 H5 C 8 4.866 -0.497 22.500 273 H6 C 8 H6 C 8 5.429 -2.851 22.432 274 1H5* G 9 1H5' G 9 1.584 -7.655 20.905 275 2H5* G 9 2H5' G 9 1.436 -8.972 19.730 276 H4* G 9 H4' G 9 -0.569 -7.738 19.703 277 H3* G 9 H3' G 9 0.980 -8.079 17.322 278 1H2* G 9 1H2' G 9 -0.115 -5.812 16.253 279 2H2* G 9 2H2' G 9 1.421 -5.752 17.171 280 H1* G 9 H1' G 9 -1.389 -5.374 18.306 281 H8 G 9 H8 G 9 2.035 -3.628 18.937 282 H1 G 9 H1 G 9 -2.584 0.191 16.620 283 1H2 G 9 1H2 G 9 -4.488 -2.801 16.751 284 2H2 G 9 2H2 G 9 -4.558 -1.067 16.469 285 1H5* T 10 1H5' T 10 -3.720 -6.887 16.995 286 2H5* T 10 2H5' T 10 -4.314 -8.078 15.823 287 H4* T 10 H4' T 10 -5.605 -6.012 15.703 288 H3* T 10 H3' T 10 -4.513 -7.321 13.455 289 1H2* T 10 1H2' T 10 -4.102 -4.977 12.116 290 2H2* T 10 2H2' T 10 -2.832 -5.704 13.134 291 H1* T 10 H1' T 10 -4.920 -3.640 13.981 292 H3 T 10 H3 T 10 -2.071 -0.128 13.266 293 1H5M T 10 1H5M T 10 1.229 -3.057 15.545 294 2H5M T 10 2H5M T 10 0.959 -4.461 14.487 295 3H5M T 10 3H5M T 10 1.648 -2.968 13.828 296 H6 T 10 H6 T 10 -1.419 -4.666 14.694 297 1H5* C 11 1H5' C 11 -7.627 -3.694 12.720 298 2H5* C 11 2H5' C 11 -8.739 -4.338 11.498 299 H4* C 11 H4' C 11 -8.495 -1.954 11.225 300 H3* C 11 H3' C 11 -8.058 -3.809 9.094 301 1H2* C 11 1H2' C 11 -6.384 -2.026 7.865 302 2H2* C 11 2H2' C 11 -5.774 -3.301 8.949 303 H1* C 11 H1' C 11 -6.543 -0.445 9.725 304 1H4 C 11 1H4 C 11 0.087 -1.159 10.619 305 2H4 C 11 2H4 C 11 -0.199 0.478 10.066 306 H5 C 11 H5 C 11 -1.732 -2.822 10.782 307 H6 C 11 H6 C 11 -4.120 -3.136 10.581 308 1H5* A 12 1H5' A 12 -9.344 0.788 8.248 309 2H5* A 12 2H5' A 12 -10.424 0.714 6.842 310 H4* A 12 H4' A 12 -9.157 2.815 6.909 311 H3* A 12 H3' A 12 -9.441 1.248 4.610 312 1H2* A 12 1H2' A 12 -6.907 1.665 3.729 313 2H2* A 12 2H2' A 12 -7.258 0.304 4.824 314 H1* A 12 H1' A 12 -6.368 3.118 5.621 315 H8 A 12 H8 A 12 -5.624 -0.676 6.241 316 1H6 A 12 1H6 A 12 0.264 1.072 6.868 317 2H6 A 12 2H6 A 12 -0.893 -0.256 6.891 318 H2 A 12 H2 A 12 -2.197 4.745 6.109 319 1H5* C 13 1H5' C 13 -7.789 5.810 4.331 320 2H5* C 13 2H5' C 13 -8.616 6.454 2.899 321 H4* C 13 H4' C 13 -6.480 7.587 3.275 322 H3* C 13 H3' C 13 -7.286 6.541 0.797 323 1H2* C 13 1H2' C 13 -4.745 5.861 0.087 324 2H2* C 13 2H2' C 13 -5.836 4.697 0.874 325 H1* C 13 H1' C 13 -3.774 6.528 2.194 326 1H4 C 13 1H4 C 13 -2.243 0.102 3.491 327 2H4 C 13 2H4 C 13 -0.730 0.973 3.338 328 H5 C 13 H5 C 13 -4.412 1.161 3.066 329 H6 C 13 H6 C 13 -5.510 3.268 2.636 330 1H5* A 14 1H5' A 14 -3.287 9.361 0.809 331 2H5* A 14 2H5' A 14 -3.607 10.445 -0.559 332 H4* A 14 H4' A 14 -1.232 10.047 -0.397 333 H3* A 14 H3' A 14 -2.713 9.632 -2.764 334 1H2* A 14 1H2' A 14 -1.033 7.629 -3.575 335 2H2* A 14 2H2' A 14 -2.559 7.305 -2.703 336 H1* A 14 H1' A 14 0.252 7.554 -1.561 337 H8 A 14 H8 A 14 -3.077 5.530 -1.300 338 1H6 A 14 1H6 A 14 0.392 0.802 0.614 339 2H6 A 14 2H6 A 14 -1.229 1.415 0.291 340 H2 A 14 H2 A 14 3.118 4.240 -0.244 341 1H5* T 15 1H5' T 15 2.076 9.668 -3.300 342 2H5* T 15 2H5' T 15 2.430 10.395 -4.881 343 H4* T 15 H4' T 15 3.839 8.433 -4.481 344 H3* T 15 H3' T 15 2.314 8.779 -6.844 345 1H2* T 15 1H2' T 15 1.886 6.099 -7.116 346 2H2* T 15 2H2' T 15 0.764 7.131 -6.191 347 H1* T 15 H1' T 15 3.239 5.711 -5.095 348 H3 T 15 H3 T 15 1.571 2.059 -3.012 349 1H5M T 15 1H5M T 15 -2.606 3.765 -5.286 350 2H5M T 15 2H5M T 15 -2.829 3.534 -3.540 351 3H5M T 15 3H5M T 15 -2.662 5.172 -4.198 352 H6 T 15 H6 T 15 -0.486 5.936 -4.942 353 1H5* G 16 1H5' G 16 6.649 6.732 -6.844 354 2H5* G 16 2H5' G 16 7.296 6.943 -8.483 355 H4* G 16 H4' G 16 8.273 4.974 -7.378 356 H3* G 16 H3' G 16 7.276 4.884 -9.971 357 1H2* G 16 1H2' G 16 6.112 2.437 -9.703 358 2H2* G 16 2H2' G 16 5.178 3.932 -9.397 359 H1* G 16 H1' G 16 6.595 2.146 -7.385 360 H8 G 16 H8 G 16 3.585 4.629 -7.481 361 H1 G 16 H1 G 16 2.082 -1.267 -5.455 362 1H2 G 16 1H2 G 16 5.524 -1.898 -6.088 363 2H2 G 16 2H2 G 16 4.014 -2.599 -5.553 364 H3T G 16 H3T G 16 8.371 2.862 -10.056 Start of MODEL 3 1 1H5* C 1 1H5' C 1 -2.421 -9.351 -6.356 2 2H5* C 1 2H5' C 1 -1.509 -10.393 -5.250 3 H4* C 1 H4' C 1 -0.044 -9.033 -6.730 4 H3* C 1 H3' C 1 0.353 -9.404 -3.988 5 1H2* C 1 1H2' C 1 1.285 -6.872 -3.609 6 2H2* C 1 2H2' C 1 -0.444 -7.255 -3.379 7 H1* C 1 H1' C 1 0.941 -6.258 -5.916 8 1H4 C 1 1H4 C 1 -3.249 -1.348 -4.149 9 2H4 C 1 2H4 C 1 -1.668 -0.659 -4.479 10 H5 C 1 H5 C 1 -3.633 -3.810 -4.308 11 H6 C 1 H6 C 1 -2.578 -5.927 -4.763 12 H5T C 1 H5' C 1 -1.883 -8.836 -3.620 13 1H5* A 2 1H5' A 2 3.986 -6.792 -5.982 14 2H5* A 2 2H5' A 2 5.430 -7.597 -5.346 15 H4* A 2 H4' A 2 5.792 -5.229 -5.472 16 H3* A 2 H3' A 2 6.266 -6.679 -3.073 17 1H2* A 2 1H2' A 2 5.663 -4.504 -1.525 18 2H2* A 2 2H2' A 2 4.408 -5.687 -1.997 19 H1* A 2 H1' A 2 5.176 -3.133 -3.501 20 H8 A 2 H8 A 2 2.294 -4.953 -1.602 21 1H6 A 2 1H6 A 2 -0.851 0.307 -2.133 22 2H6 A 2 2H6 A 2 -0.821 -1.354 -1.545 23 H2 A 2 H2 A 2 3.236 0.972 -3.872 24 1H5* T 3 1H5' T 3 7.856 -2.276 -3.870 25 2H5* T 3 2H5' T 3 9.470 -2.117 -3.155 26 H4* T 3 H4' T 3 8.253 -0.019 -3.103 27 H3* T 3 H3' T 3 9.456 -1.184 -0.760 28 1H2* T 3 1H2' T 3 7.742 0.278 0.785 29 2H2* T 3 2H2' T 3 7.410 -1.407 0.316 30 H1* T 3 H1' T 3 6.593 1.121 -1.182 31 H3 T 3 H3 T 3 2.162 1.399 -0.165 32 1H5M T 3 1H5M T 3 3.212 -2.879 2.270 33 2H5M T 3 2H5M T 3 1.998 -3.132 1.002 34 3H5M T 3 3H5M T 3 3.657 -3.712 0.762 35 H6 T 3 H6 T 3 5.379 -2.157 0.153 36 1H5* G 4 1H5' G 4 8.474 3.498 -1.154 37 2H5* G 4 2H5' G 4 9.746 4.379 -0.290 38 H4* G 4 H4' G 4 7.648 5.534 -0.110 39 H3* G 4 H3' G 4 9.194 4.860 2.189 40 1H2* G 4 1H2' G 4 6.979 4.708 3.751 41 2H2* G 4 2H2' G 4 7.575 3.263 2.888 42 H1* G 4 H1' G 4 5.535 5.277 1.828 43 H8 G 4 H8 G 4 6.010 1.464 2.571 44 H1 G 4 H1 G 4 -0.051 3.578 2.800 45 1H2 G 4 1H2 G 4 1.464 6.676 2.021 46 2H2 G 4 2H2 G 4 -0.045 5.871 2.415 47 1H5* T 5 1H5' T 5 5.692 8.115 2.206 48 2H5* T 5 2H5' T 5 6.243 9.472 3.205 49 H4* T 5 H4' T 5 3.797 9.195 3.236 50 H3* T 5 H3' T 5 5.433 9.379 5.625 51 1H2* T 5 1H2' T 5 3.207 8.342 6.937 52 2H2* T 5 2H2' T 5 4.656 7.401 6.511 53 H1* T 5 H1' T 5 2.086 7.736 4.894 54 H3 T 5 H3 T 5 0.476 3.596 6.087 55 1H5M T 5 1H5M T 5 5.256 2.652 7.088 56 2H5M T 5 2H5M T 5 4.773 1.767 5.627 57 3H5M T 5 3H5M T 5 5.844 3.175 5.492 58 H6 T 5 H6 T 5 4.890 5.369 5.443 59 1H5* G 6 1H5' G 6 0.837 10.598 5.788 60 2H5* G 6 2H5' G 6 0.664 11.983 6.883 61 H4* G 6 H4' G 6 -1.177 10.429 7.145 62 H3* G 6 H3' G 6 0.392 11.330 9.357 63 1H2* G 6 1H2' G 6 -0.151 9.034 10.736 64 2H2* G 6 2H2' G 6 1.304 9.176 9.709 65 H1* G 6 H1' G 6 -1.428 8.114 8.847 66 H8 G 6 H8 G 6 2.385 7.215 8.698 67 H1 G 6 H1 G 6 -1.562 2.226 9.599 68 1H2 G 6 1H2 G 6 -4.051 4.731 9.525 69 2H2 G 6 2H2 G 6 -3.743 3.015 9.704 70 1H5* A 7 1H5' A 7 -4.009 9.415 9.889 71 2H5* A 7 2H5' A 7 -4.788 10.415 11.129 72 H4* A 7 H4' A 7 -5.651 8.151 11.201 73 H3* A 7 H3' A 7 -4.697 9.497 13.491 74 1H2* A 7 1H2' A 7 -3.751 7.216 14.632 75 2H2* A 7 2H2' A 7 -2.707 8.180 13.550 76 H1* A 7 H1' A 7 -4.522 5.859 12.724 77 H8 A 7 H8 A 7 -0.875 7.193 12.239 78 1H6 A 7 1H6 A 7 0.862 1.303 12.813 79 2H6 A 7 2H6 A 7 1.356 2.960 12.473 80 H2 A 7 H2 A 7 -3.608 1.452 13.114 81 1H5* C 8 1H5' C 8 -7.623 5.640 13.848 82 2H5* C 8 2H5' C 8 -8.699 6.022 15.205 83 H4* C 8 H4' C 8 -8.362 3.600 14.927 84 H3* C 8 H3' C 8 -8.255 4.915 17.392 85 1H2* C 8 1H2' C 8 -6.211 3.432 18.361 86 2H2* C 8 2H2' C 8 -5.874 4.922 17.445 87 H1* C 8 H1' C 8 -6.090 2.086 16.331 88 1H4 C 8 1H4 C 8 0.287 4.187 15.845 89 2H4 C 8 2H4 C 8 0.286 2.480 16.270 90 H5 C 8 H5 C 8 -1.836 5.474 15.701 91 H6 C 8 H6 C 8 -4.248 5.280 15.792 92 1H5* G 9 1H5' G 9 -7.622 0.147 17.291 93 2H5* G 9 2H5' G 9 -8.835 -0.428 18.447 94 H4* G 9 H4' G 9 -7.038 -1.967 18.410 95 H3* G 9 H3' G 9 -7.882 -0.717 20.837 96 1H2* G 9 1H2' G 9 -5.399 -1.067 21.927 97 2H2* G 9 2H2' G 9 -5.819 0.440 21.058 98 H1* G 9 H1' G 9 -4.553 -2.061 19.845 99 H8 G 9 H8 G 9 -3.972 1.758 19.359 100 H1 G 9 H1 G 9 1.062 -1.483 21.693 101 1H2 G 9 1H2 G 9 -1.145 -4.242 21.364 102 2H2 G 9 2H2 G 9 0.512 -3.762 21.706 103 1H5* T 10 1H5' T 10 -5.262 -4.782 20.936 104 2H5* T 10 2H5' T 10 -6.230 -5.808 22.012 105 H4* T 10 H4' T 10 -3.866 -6.416 22.099 106 H3* T 10 H3' T 10 -5.477 -6.016 24.369 107 1H2* T 10 1H2' T 10 -3.430 -4.979 25.845 108 2H2* T 10 2H2' T 10 -4.509 -3.928 24.892 109 H1* T 10 H1' T 10 -1.852 -5.145 24.004 110 H3 T 10 H3 T 10 0.484 -1.354 25.074 111 1H5M T 10 1H5M T 10 -4.568 0.173 23.913 112 2H5M T 10 2H5M T 10 -3.329 1.311 24.468 113 3H5M T 10 3H5M T 10 -3.394 0.848 22.760 114 H6 T 10 H6 T 10 -3.968 -2.138 23.453 115 1H5* C 11 1H5' C 11 -1.035 -7.798 24.982 116 2H5* C 11 2H5' C 11 -1.281 -9.181 26.065 117 H4* C 11 H4' C 11 0.886 -8.188 26.466 118 H3* C 11 H3' C 11 -1.049 -8.600 28.537 119 1H2* C 11 1H2' C 11 0.107 -6.589 29.997 120 2H2* C 11 2H2' C 11 -1.305 -6.317 28.948 121 H1* C 11 H1' C 11 1.641 -6.000 28.194 122 1H4 C 11 1H4 C 11 -1.304 0.040 27.855 123 2H4 C 11 2H4 C 11 0.331 0.287 28.433 124 H5 C 11 H5 C 11 -2.238 -2.210 27.476 125 H6 C 11 H6 C 11 -1.715 -4.572 27.470 126 1H5* A 12 1H5' A 12 3.663 -8.217 29.638 127 2H5* A 12 2H5' A 12 3.922 -9.381 30.952 128 H4* A 12 H4' A 12 5.344 -7.414 31.228 129 H3* A 12 H3' A 12 3.753 -8.476 33.290 130 1H2* A 12 1H2' A 12 3.181 -6.042 34.359 131 2H2* A 12 2H2' A 12 2.132 -6.738 33.094 132 H1* A 12 H1' A 12 4.529 -4.889 32.664 133 H8 A 12 H8 A 12 0.753 -5.354 31.727 134 1H6 A 12 1H6 A 12 0.532 0.813 31.576 135 2H6 A 12 2H6 A 12 -0.343 -0.701 31.369 136 H2 A 12 H2 A 12 4.739 -0.398 32.557 137 1H5* C 13 1H5' C 13 7.511 -5.516 34.296 138 2H5* C 13 2H5' C 13 8.191 -6.227 35.772 139 H4* C 13 H4' C 13 8.615 -3.817 35.667 140 H3* C 13 H3' C 13 7.621 -5.117 37.932 141 1H2* C 13 1H2' C 13 5.946 -3.095 38.627 142 2H2* C 13 2H2' C 13 5.394 -4.411 37.576 143 H1* C 13 H1' C 13 6.584 -1.722 36.729 144 1H4 C 13 1H4 C 13 0.181 -2.123 34.685 145 2H4 C 13 2H4 C 13 0.530 -0.430 34.978 146 H5 C 13 H5 C 13 1.820 -3.892 35.133 147 H6 C 13 H6 C 13 4.110 -4.327 35.744 148 1H5* A 14 1H5' A 14 9.170 -0.467 38.373 149 2H5* A 14 2H5' A 14 10.157 -0.615 39.839 150 H4* A 14 H4' A 14 9.304 1.635 39.661 151 H3* A 14 H3' A 14 9.077 0.091 41.963 152 1H2* A 14 1H2' A 14 6.606 1.077 42.609 153 2H2* A 14 2H2' A 14 6.815 -0.447 41.704 154 H1* A 14 H1' A 14 6.235 2.337 40.659 155 H8 A 14 H8 A 14 5.559 -1.449 40.021 156 1H6 A 14 1H6 A 14 0.052 0.313 37.843 157 2H6 A 14 2H6 A 14 1.160 -1.022 38.161 158 H2 A 14 H2 A 14 2.286 3.984 39.069 159 1H5* T 15 1H5' T 15 7.437 4.532 42.651 160 2H5* T 15 2H5' T 15 7.847 5.016 44.309 161 H4* T 15 H4' T 15 5.525 5.566 43.807 162 H3* T 15 H3' T 15 6.263 4.016 46.084 163 1H2* T 15 1H2' T 15 3.885 2.671 46.031 164 2H2* T 15 2H2' T 15 5.320 2.071 45.155 165 H1* T 15 H1' T 15 3.228 4.013 44.068 166 H3 T 15 H3 T 15 0.529 1.435 41.529 167 1H5M T 15 1H5M T 15 4.776 -1.633 42.807 168 2H5M T 15 2H5M T 15 3.331 -2.148 43.708 169 3H5M T 15 3H5M T 15 3.366 -2.258 41.937 170 H6 T 15 H6 T 15 4.714 0.604 43.714 171 1H5* G 16 1H5' G 16 2.854 7.380 46.206 172 2H5* G 16 2H5' G 16 2.697 7.867 47.906 173 H4* G 16 H4' G 16 0.607 8.251 46.667 174 H3* G 16 H3' G 16 0.664 6.981 49.141 175 1H2* G 16 1H2' G 16 -1.214 5.116 48.497 176 2H2* G 16 2H2' G 16 0.529 4.771 48.286 177 H1* G 16 H1' G 16 -1.465 5.750 46.209 178 H8 G 16 H8 G 16 1.878 3.738 46.317 179 H1 G 16 H1 G 16 -3.020 0.582 43.633 180 1H2 G 16 1H2 G 16 -4.806 3.553 44.417 181 2H2 G 16 2H2 G 16 -4.928 1.950 43.731 182 H3T G 16 H3T G 16 -1.606 7.336 49.096 183 1H5* C 1 1H5' C 1 -10.672 -4.341 43.089 184 2H5* C 1 2H5' C 1 -9.033 -4.722 42.519 185 H4* C 1 H4' C 1 -9.730 -2.553 44.551 186 H3* C 1 H3' C 1 -10.075 -2.437 41.742 187 1H2* C 1 1H2' C 1 -7.926 -0.786 41.446 188 2H2* C 1 2H2' C 1 -7.757 -2.560 41.282 189 H1* C 1 H1' C 1 -7.414 -0.889 43.824 190 1H4 C 1 1H4 C 1 -1.285 -3.201 42.487 191 2H4 C 1 2H4 C 1 -1.185 -1.473 42.773 192 H5 C 1 H5 C 1 -3.478 -4.386 42.522 193 H6 C 1 H6 C 1 -5.853 -4.094 42.807 194 H5T C 1 H5' C 1 -9.723 -6.064 44.244 195 1H5* A 2 1H5' A 2 -8.867 1.915 43.607 196 2H5* A 2 2H5' A 2 -10.050 2.992 42.845 197 H4* A 2 H4' A 2 -7.935 4.106 43.052 198 H3* A 2 H3' A 2 -9.306 3.972 40.567 199 1H2* A 2 1H2' A 2 -6.960 4.027 39.157 200 2H2* A 2 2H2' A 2 -7.707 2.481 39.658 201 H1* A 2 H1' A 2 -5.634 4.106 41.218 202 H8 A 2 H8 A 2 -6.315 0.689 39.459 203 1H6 A 2 1H6 A 2 -0.367 -0.543 40.454 204 2H6 A 2 2H6 A 2 -1.906 -1.094 39.793 205 H2 A 2 H2 A 2 -1.156 3.637 41.876 206 1H5* T 3 1H5' T 3 -5.715 6.951 41.473 207 2H5* T 3 2H5' T 3 -6.060 8.497 40.676 208 H4* T 3 H4' T 3 -3.676 8.071 40.799 209 H3* T 3 H3' T 3 -5.013 8.728 38.343 210 1H2* T 3 1H2' T 3 -3.025 7.506 36.944 211 2H2* T 3 2H2' T 3 -4.517 6.649 37.404 212 H1* T 3 H1' T 3 -1.933 6.828 39.014 213 H3 T 3 H3 T 3 -0.094 2.713 38.371 214 1H5M T 3 1H5M T 3 -4.283 2.082 35.655 215 2H5M T 3 2H5M T 3 -4.195 0.926 36.997 216 3H5M T 3 3H5M T 3 -5.323 2.293 37.084 217 H6 T 3 H6 T 3 -4.494 4.486 37.610 218 1H5* G 4 1H5' G 4 -0.301 9.345 39.045 219 2H5* G 4 2H5' G 4 0.182 10.802 38.160 220 H4* G 4 H4' G 4 1.971 9.175 38.203 221 H3* G 4 H3' G 4 1.058 10.370 35.783 222 1H2* G 4 1H2' G 4 1.749 8.183 34.332 223 2H2* G 4 2H2' G 4 0.120 8.320 35.047 224 H1* G 4 H1' G 4 2.560 7.028 36.365 225 H8 G 4 H8 G 4 -1.141 6.330 35.316 226 H1 G 4 H1 G 4 2.590 1.123 35.687 227 1H2 G 4 1H2 G 4 5.070 3.474 36.569 228 2H2 G 4 2H2 G 4 4.740 1.783 36.233 229 1H5* T 5 1H5' T 5 5.183 8.018 36.184 230 2H5* T 5 2H5' T 5 6.403 8.914 35.262 231 H4* T 5 H4' T 5 6.853 6.503 35.336 232 H3* T 5 H3' T 5 6.738 8.041 32.876 233 1H2* T 5 1H2' T 5 6.531 5.558 31.627 234 2H2* T 5 2H2' T 5 5.168 6.671 31.897 235 H1* T 5 H1' T 5 6.112 4.381 33.685 236 H3 T 5 H3 T 5 2.762 1.544 32.322 237 1H5M T 5 1H5M T 5 0.708 6.552 32.529 238 2H5M T 5 2H5M T 5 0.521 5.764 30.944 239 3H5M T 5 3H5M T 5 -0.300 5.101 32.371 240 H6 T 5 H6 T 5 3.074 6.311 32.784 241 1H5* G 6 1H5' G 6 9.339 4.029 33.029 242 2H5* G 6 2H5' G 6 10.782 4.284 32.030 243 H4* G 6 H4' G 6 9.921 2.042 31.736 244 H3* G 6 H3' G 6 10.409 3.788 29.529 245 1H2* G 6 1H2' G 6 8.495 2.527 28.041 246 2H2* G 6 2H2' G 6 8.103 3.962 29.032 247 H1* G 6 H1' G 6 7.921 1.043 29.913 248 H8 G 6 H8 G 6 5.828 4.361 29.855 249 H1 G 6 H1 G 6 2.462 -1.030 28.897 250 1H2 G 6 1H2 G 6 5.647 -2.542 29.179 251 2H2 G 6 2H2 G 6 3.942 -2.830 28.900 252 1H5* A 7 1H5' A 7 10.035 -1.019 28.953 253 2H5* A 7 2H5' A 7 11.292 -1.418 27.768 254 H4* A 7 H4' A 7 9.431 -2.948 27.553 255 H3* A 7 H3' A 7 10.502 -1.539 25.351 256 1H2* A 7 1H2' A 7 8.089 -1.351 24.106 257 2H2* A 7 2H2' A 7 8.610 -0.083 25.251 258 H1* A 7 H1' A 7 6.984 -2.583 25.935 259 H8 A 7 H8 A 7 6.998 1.294 26.485 260 1H6 A 7 1H6 A 7 0.894 0.956 25.645 261 2H6 A 7 2H6 A 7 2.271 1.975 26.055 262 H2 A 7 H2 A 7 2.552 -3.198 25.368 263 1H5* C 8 1H5' C 8 7.857 -5.577 24.724 264 2H5* C 8 2H5' C 8 8.633 -6.404 23.360 265 H4* C 8 H4' C 8 6.225 -6.900 23.521 266 H3* C 8 H3' C 8 7.528 -6.259 21.128 267 1H2* C 8 1H2' C 8 5.480 -4.789 20.139 268 2H2* C 8 2H2' C 8 6.737 -4.014 21.136 269 H1* C 8 H1' C 8 4.099 -5.211 22.104 270 1H4 C 8 1H4 C 8 3.915 1.481 22.806 271 2H4 C 8 2H4 C 8 2.325 0.920 22.300 272 H5 C 8 H5 C 8 5.833 -0.093 22.983 273 H6 C 8 H6 C 8 6.464 -2.428 22.847 274 1H5* G 9 1H5' G 9 2.826 -7.302 21.009 275 2H5* G 9 2H5' G 9 2.750 -8.588 19.793 276 H4* G 9 H4' G 9 0.681 -7.431 19.812 277 H3* G 9 H3' G 9 2.221 -7.701 17.420 278 1H2* G 9 1H2' G 9 1.070 -5.448 16.380 279 2H2* G 9 2H2' G 9 2.603 -5.360 17.300 280 H1* G 9 H1' G 9 -0.216 -5.074 18.439 281 H8 G 9 H8 G 9 3.160 -3.250 19.098 282 H1 G 9 H1 G 9 -1.538 0.473 16.775 283 1H2 G 9 1H2 G 9 -3.388 -2.549 16.932 284 2H2 G 9 2H2 G 9 -3.492 -0.816 16.657 285 1H5* T 10 1H5' T 10 -2.488 -6.620 17.225 286 2H5* T 10 2H5' T 10 -3.090 -7.839 16.086 287 H4* T 10 H4' T 10 -4.470 -5.826 16.034 288 H3* T 10 H3' T 10 -3.475 -7.112 13.740 289 1H2* T 10 1H2' T 10 -3.165 -4.780 12.362 290 2H2* T 10 2H2' T 10 -1.835 -5.463 13.332 291 H1* T 10 H1' T 10 -3.928 -3.431 14.238 292 H3 T 10 H3 T 10 -1.173 0.115 13.346 293 1H5M T 10 1H5M T 10 2.643 -2.550 13.963 294 2H5M T 10 2H5M T 10 2.194 -2.808 15.656 295 3H5M T 10 3H5M T 10 1.997 -4.119 14.470 296 H6 T 10 H6 T 10 -0.386 -4.377 14.855 297 1H5* C 11 1H5' C 11 -6.726 -3.576 13.207 298 2H5* C 11 2H5' C 11 -7.900 -4.252 12.061 299 H4* C 11 H4' C 11 -7.746 -1.843 11.801 300 H3* C 11 H3' C 11 -7.454 -3.675 9.630 301 1H2* C 11 1H2' C 11 -5.904 -1.870 8.282 302 2H2* C 11 2H2' C 11 -5.195 -3.136 9.311 303 H1* C 11 H1' C 11 -5.937 -0.290 10.153 304 1H4 C 11 1H4 C 11 0.749 -0.981 10.526 305 2H4 C 11 2H4 C 11 0.421 0.655 9.993 306 H5 C 11 H5 C 11 -1.046 -2.640 10.848 307 H6 C 11 H6 C 11 -3.440 -2.962 10.825 308 1H5* A 12 1H5' A 12 -8.880 0.896 8.968 309 2H5* A 12 2H5' A 12 -10.091 0.819 7.674 310 H4* A 12 H4' A 12 -8.875 2.954 7.673 311 H3* A 12 H3' A 12 -9.373 1.454 5.375 312 1H2* A 12 1H2' A 12 -6.948 1.896 4.247 313 2H2* A 12 2H2' A 12 -7.177 0.514 5.345 314 H1* A 12 H1' A 12 -6.202 3.313 6.092 315 H8 A 12 H8 A 12 -5.434 -0.491 6.590 316 1H6 A 12 1H6 A 12 0.504 1.196 6.672 317 2H6 A 12 2H6 A 12 -0.659 -0.120 6.799 318 H2 A 12 H2 A 12 -1.980 4.898 6.175 319 1H5* C 13 1H5' C 13 -7.773 6.000 5.089 320 2H5* C 13 2H5' C 13 -8.709 6.717 3.764 321 H4* C 13 H4' C 13 -6.520 7.802 4.028 322 H3* C 13 H3' C 13 -7.559 6.880 1.574 323 1H2* C 13 1H2' C 13 -5.039 6.353 0.622 324 2H2* C 13 2H2' C 13 -6.075 5.096 1.348 325 H1* C 13 H1' C 13 -3.923 6.788 2.697 326 1H4 C 13 1H4 C 13 -2.445 0.286 3.549 327 2H4 C 13 2H4 C 13 -0.932 1.132 3.282 328 H5 C 13 H5 C 13 -4.623 1.396 3.313 329 H6 C 13 H6 C 13 -5.702 3.543 3.054 330 1H5* A 14 1H5' A 14 -3.494 9.490 1.018 331 2H5* A 14 2H5' A 14 -3.909 10.589 -0.312 332 H4* A 14 H4' A 14 -1.649 9.857 -0.635 333 H3* A 14 H3' A 14 -3.650 9.450 -2.621 334 1H2* A 14 1H2' A 14 -2.331 7.242 -3.562 335 2H2* A 14 2H2' A 14 -3.644 7.116 -2.354 336 H1* A 14 H1' A 14 -0.644 7.325 -1.812 337 H8 A 14 H8 A 14 -3.869 5.288 -0.932 338 1H6 A 14 1H6 A 14 -0.071 0.682 0.593 339 2H6 A 14 2H6 A 14 -1.731 1.263 0.497 340 H2 A 14 H2 A 14 2.439 4.102 -0.819 341 1H5* T 15 1H5' T 15 1.007 9.406 -4.044 342 2H5* T 15 2H5' T 15 1.034 10.040 -5.702 343 H4* T 15 H4' T 15 2.632 8.190 -5.405 344 H3* T 15 H3' T 15 0.804 8.337 -7.542 345 1H2* T 15 1H2' T 15 0.382 5.647 -7.606 346 2H2* T 15 2H2' T 15 -0.615 6.714 -6.589 347 H1* T 15 H1' T 15 2.003 5.353 -5.790 348 H3 T 15 H3 T 15 0.651 1.848 -3.269 349 1H5M T 15 1H5M T 15 -3.815 3.538 -4.974 350 2H5M T 15 2H5M T 15 -3.774 3.334 -3.212 351 3H5M T 15 3H5M T 15 -3.688 4.960 -3.914 352 H6 T 15 H6 T 15 -1.655 5.646 -5.076 353 1H5* G 16 1H5' G 16 5.118 6.231 -8.027 354 2H5* G 16 2H5' G 16 5.513 6.359 -9.753 355 H4* G 16 H4' G 16 6.629 4.426 -8.722 356 H3* G 16 H3' G 16 5.243 4.243 -11.127 357 1H2* G 16 1H2' G 16 4.123 1.823 -10.577 358 2H2* G 16 2H2' G 16 3.255 3.341 -10.196 359 H1* G 16 H1' G 16 4.961 1.627 -8.351 360 H8 G 16 H8 G 16 1.961 4.113 -8.125 361 H1 G 16 H1 G 16 0.821 -1.654 -5.556 362 1H2 G 16 1H2 G 16 4.141 -2.316 -6.649 363 2H2 G 16 2H2 G 16 2.732 -2.989 -5.861 364 H3T G 16 H3T G 16 6.304 2.209 -11.294 Start of MODEL 4 1 1H5* C 1 1H5' C 1 -3.281 -8.921 -7.137 2 2H5* C 1 2H5' C 1 -2.455 -10.076 -6.076 3 H4* C 1 H4' C 1 -0.882 -8.739 -7.465 4 H3* C 1 H3' C 1 -0.557 -9.273 -4.737 5 1H2* C 1 1H2' C 1 0.544 -6.833 -4.229 6 2H2* C 1 2H2' C 1 -1.209 -7.107 -4.030 7 H1* C 1 H1' C 1 0.271 -6.088 -6.505 8 1H4 C 1 1H4 C 1 -3.590 -0.984 -4.546 9 2H4 C 1 2H4 C 1 -1.963 -0.390 -4.831 10 H5 C 1 H5 C 1 -4.141 -3.404 -4.822 11 H6 C 1 H6 C 1 -3.229 -5.566 -5.365 12 H5T C 1 H5' C 1 -2.751 -8.580 -4.372 13 1H5* A 2 1H5' A 2 3.244 -6.816 -6.568 14 2H5* A 2 2H5' A 2 4.633 -7.746 -5.980 15 H4* A 2 H4' A 2 5.149 -5.402 -5.991 16 H3* A 2 H3' A 2 5.537 -6.996 -3.671 17 1H2* A 2 1H2' A 2 5.083 -4.864 -2.014 18 2H2* A 2 2H2' A 2 3.751 -5.939 -2.532 19 H1* A 2 H1' A 2 4.677 -3.370 -3.915 20 H8 A 2 H8 A 2 1.671 -5.101 -2.122 21 1H6 A 2 1H6 A 2 -1.147 0.357 -2.458 22 2H6 A 2 2H6 A 2 -1.231 -1.329 -1.948 23 H2 A 2 H2 A 2 3.020 0.867 -4.048 24 1H5* T 3 1H5' T 3 7.436 -2.679 -4.298 25 2H5* T 3 2H5' T 3 9.070 -2.689 -3.610 26 H4* T 3 H4' T 3 8.050 -0.492 -3.448 27 H3* T 3 H3' T 3 9.193 -1.844 -1.188 28 1H2* T 3 1H2' T 3 7.600 -0.407 0.478 29 2H2* T 3 2H2' T 3 7.118 -2.012 -0.126 30 H1* T 3 H1' T 3 6.531 0.685 -1.423 31 H3 T 3 H3 T 3 2.129 1.319 -0.435 32 1H5M T 3 1H5M T 3 1.535 -3.222 0.527 33 2H5M T 3 2H5M T 3 3.136 -3.941 0.262 34 3H5M T 3 3H5M T 3 2.760 -3.142 1.807 35 H6 T 3 H6 T 3 5.009 -2.522 -0.239 36 1H5* G 4 1H5' G 4 8.541 2.898 -1.423 37 2H5* G 4 2H5' G 4 9.874 3.678 -0.553 38 H4* G 4 H4' G 4 7.816 4.961 -0.381 39 H3* G 4 H3' G 4 9.387 4.264 1.890 40 1H2* G 4 1H2' G 4 7.206 4.220 3.503 41 2H2* G 4 2H2' G 4 7.734 2.745 2.650 42 H1* G 4 H1' G 4 5.722 4.804 1.608 43 H8 G 4 H8 G 4 6.179 0.998 2.364 44 H1 G 4 H1 G 4 0.111 3.067 2.586 45 1H2 G 4 1H2 G 4 1.576 6.179 1.810 46 2H2 G 4 2H2 G 4 0.081 5.344 2.197 47 1H5* T 5 1H5' T 5 5.984 7.581 1.899 48 2H5* T 5 2H5' T 5 6.560 8.954 2.860 49 H4* T 5 H4' T 5 4.110 8.706 2.902 50 H3* T 5 H3' T 5 5.753 8.951 5.281 51 1H2* T 5 1H2' T 5 3.523 7.984 6.633 52 2H2* T 5 2H2' T 5 4.955 7.007 6.228 53 H1* T 5 H1' T 5 2.383 7.329 4.610 54 H3 T 5 H3 T 5 0.712 3.257 5.950 55 1H5M T 5 1H5M T 5 5.490 2.237 6.894 56 2H5M T 5 2H5M T 5 4.965 1.338 5.457 57 3H5M T 5 3H5M T 5 6.061 2.722 5.280 58 H6 T 5 H6 T 5 5.148 4.934 5.208 59 1H5* G 6 1H5' G 6 1.170 10.265 5.325 60 2H5* G 6 2H5' G 6 1.015 11.700 6.356 61 H4* G 6 H4' G 6 -0.888 10.211 6.636 62 H3* G 6 H3' G 6 0.637 11.189 8.835 63 1H2* G 6 1H2' G 6 0.075 8.971 10.312 64 2H2* G 6 2H2' G 6 1.534 9.039 9.282 65 H1* G 6 H1' G 6 -1.214 7.987 8.456 66 H8 G 6 H8 G 6 2.580 6.999 8.416 67 H1 G 6 H1 G 6 -1.492 2.139 9.458 68 1H2 G 6 1H2 G 6 -3.919 4.701 9.245 69 2H2 G 6 2H2 G 6 -3.657 2.989 9.514 70 1H5* A 7 1H5' A 7 -3.836 9.371 9.414 71 2H5* A 7 2H5' A 7 -4.587 10.446 10.607 72 H4* A 7 H4' A 7 -5.504 8.208 10.784 73 H3* A 7 H3' A 7 -4.528 9.640 13.007 74 1H2* A 7 1H2' A 7 -3.616 7.406 14.259 75 2H2* A 7 2H2' A 7 -2.559 8.298 13.130 76 H1* A 7 H1' A 7 -4.407 5.963 12.425 77 H8 A 7 H8 A 7 -0.749 7.237 11.880 78 1H6 A 7 1H6 A 7 0.940 1.367 12.715 79 2H6 A 7 2H6 A 7 1.445 3.001 12.293 80 H2 A 7 H2 A 7 -3.528 1.566 13.019 81 1H5* C 8 1H5' C 8 -7.503 5.836 13.570 82 2H5* C 8 2H5' C 8 -8.559 6.291 14.920 83 H4* C 8 H4' C 8 -8.236 3.854 14.747 84 H3* C 8 H3' C 8 -8.112 5.275 17.151 85 1H2* C 8 1H2' C 8 -6.065 3.833 18.174 86 2H2* C 8 2H2' C 8 -5.729 5.276 17.186 87 H1* C 8 H1' C 8 -5.969 2.392 16.205 88 1H4 C 8 1H4 C 8 0.422 4.416 15.587 89 2H4 C 8 2H4 C 8 0.405 2.738 16.116 90 H5 C 8 H5 C 8 -1.694 5.714 15.390 91 H6 C 8 H6 C 8 -4.109 5.542 15.502 92 1H5* G 9 1H5' G 9 -7.539 0.491 17.234 93 2H5* G 9 2H5' G 9 -8.765 -0.015 18.409 94 H4* G 9 H4' G 9 -6.990 -1.598 18.411 95 H3* G 9 H3' G 9 -7.842 -0.285 20.797 96 1H2* G 9 1H2' G 9 -5.374 -0.620 21.922 97 2H2* G 9 2H2' G 9 -5.772 0.865 21.006 98 H1* G 9 H1' G 9 -4.516 -1.681 19.878 99 H8 G 9 H8 G 9 -3.908 2.116 19.277 100 H1 G 9 H1 G 9 1.079 -1.057 21.795 101 1H2 G 9 1H2 G 9 -1.117 -3.826 21.510 102 2H2 G 9 2H2 G 9 0.535 -3.333 21.857 103 1H5* T 10 1H5' T 10 -5.257 -4.376 21.023 104 2H5* T 10 2H5' T 10 -6.248 -5.363 22.113 105 H4* T 10 H4' T 10 -3.891 -5.996 22.236 106 H3* T 10 H3' T 10 -5.521 -5.550 24.476 107 1H2* T 10 1H2' T 10 -3.512 -4.468 25.959 108 2H2* T 10 2H2' T 10 -4.564 -3.441 24.952 109 H1* T 10 H1' T 10 -1.894 -4.694 24.155 110 H3 T 10 H3 T 10 0.444 -0.900 25.199 111 1H5M T 10 1H5M T 10 -4.566 0.641 23.893 112 2H5M T 10 2H5M T 10 -3.325 1.783 24.435 113 3H5M T 10 3H5M T 10 -3.367 1.273 22.740 114 H6 T 10 H6 T 10 -3.972 -1.686 23.482 115 1H5* C 11 1H5' C 11 -1.093 -7.383 25.181 116 2H5* C 11 2H5' C 11 -1.375 -8.736 26.294 117 H4* C 11 H4' C 11 0.819 -7.757 26.672 118 H3* C 11 H3' C 11 -1.091 -8.177 28.748 119 1H2* C 11 1H2' C 11 -0.034 -6.109 30.189 120 2H2* C 11 2H2' C 11 -1.414 -5.876 29.089 121 H1* C 11 H1' C 11 1.551 -5.548 28.406 122 1H4 C 11 1H4 C 11 -1.430 0.472 27.950 123 2H4 C 11 2H4 C 11 0.189 0.733 28.568 124 H5 C 11 H5 C 11 -2.333 -1.789 27.559 125 H6 C 11 H6 C 11 -1.794 -4.144 27.590 126 1H5* A 12 1H5' A 12 3.663 -7.906 29.658 127 2H5* A 12 2H5' A 12 3.947 -9.086 30.952 128 H4* A 12 H4' A 12 5.516 -7.198 31.065 129 H3* A 12 H3' A 12 4.176 -8.227 33.280 130 1H2* A 12 1H2' A 12 3.665 -5.822 34.420 131 2H2* A 12 2H2' A 12 2.514 -6.510 33.250 132 H1* A 12 H1' A 12 4.817 -4.591 32.655 133 H8 A 12 H8 A 12 1.023 -5.223 31.942 134 1H6 A 12 1H6 A 12 0.486 0.929 31.906 135 2H6 A 12 2H6 A 12 -0.321 -0.624 31.713 136 H2 A 12 H2 A 12 4.794 -0.081 32.633 137 1H5* C 13 1H5' C 13 7.844 -5.121 33.819 138 2H5* C 13 2H5' C 13 8.765 -5.756 35.196 139 H4* C 13 H4' C 13 9.007 -3.317 34.972 140 H3* C 13 H3' C 13 8.381 -4.649 37.378 141 1H2* C 13 1H2' C 13 6.941 -2.490 38.276 142 2H2* C 13 2H2' C 13 6.177 -3.900 37.494 143 H1* C 13 H1' C 13 7.060 -1.273 36.216 144 1H4 C 13 1H4 C 13 0.516 -2.204 34.994 145 2H4 C 13 2H4 C 13 0.751 -0.491 35.292 146 H5 C 13 H5 C 13 2.314 -3.845 35.318 147 H6 C 13 H6 C 13 4.688 -4.090 35.704 148 1H5* A 14 1H5' A 14 9.360 0.076 38.055 149 2H5* A 14 2H5' A 14 10.445 0.054 39.459 150 H4* A 14 H4' A 14 8.942 1.907 39.707 151 H3* A 14 H3' A 14 9.151 -0.129 41.686 152 1H2* A 14 1H2' A 14 6.567 0.308 42.476 153 2H2* A 14 2H2' A 14 6.989 -0.950 41.276 154 H1* A 14 H1' A 14 6.153 1.937 40.718 155 H8 A 14 H8 A 14 5.445 -1.789 39.752 156 1H6 A 14 1H6 A 14 -0.115 0.150 37.934 157 2H6 A 14 2H6 A 14 1.010 -1.198 38.078 158 H2 A 14 H2 A 14 2.114 3.692 39.508 159 1H5* T 15 1H5' T 15 7.369 4.197 43.073 160 2H5* T 15 2H5' T 15 7.848 4.414 44.768 161 H4* T 15 H4' T 15 5.570 5.253 44.347 162 H3* T 15 H3' T 15 6.231 3.558 46.497 163 1H2* T 15 1H2' T 15 3.868 2.206 46.392 164 2H2* T 15 2H2' T 15 5.281 1.673 45.450 165 H1* T 15 H1' T 15 3.129 3.649 44.555 166 H3 T 15 H3 T 15 0.491 1.184 41.833 167 1H5M T 15 1H5M T 15 3.564 -2.415 43.668 168 2H5M T 15 2H5M T 15 3.445 -2.428 41.898 169 3H5M T 15 3H5M T 15 4.897 -1.776 42.679 170 H6 T 15 H6 T 15 4.747 0.348 43.879 171 1H5* G 16 1H5' G 16 2.712 6.836 46.828 172 2H5* G 16 2H5' G 16 2.585 7.219 48.556 173 H4* G 16 H4' G 16 0.452 7.605 47.398 174 H3* G 16 H3' G 16 0.622 6.194 49.791 175 1H2* G 16 1H2' G 16 -1.224 4.318 49.090 176 2H2* G 16 2H2' G 16 0.522 4.036 48.818 177 H1* G 16 H1' G 16 -1.554 5.062 46.847 178 H8 G 16 H8 G 16 1.844 3.143 46.804 179 H1 G 16 H1 G 16 -2.975 0.055 43.907 180 1H2 G 16 1H2 G 16 -4.841 2.906 44.919 181 2H2 G 16 2H2 G 16 -4.921 1.354 44.117 182 H3T G 16 H3T G 16 -1.724 6.754 48.276 183 1H5* C 1 1H5' C 1 -10.511 -5.037 43.130 184 2H5* C 1 2H5' C 1 -8.868 -5.352 42.531 185 H4* C 1 H4' C 1 -9.595 -3.311 44.681 186 H3* C 1 H3' C 1 -9.970 -3.055 41.881 187 1H2* C 1 1H2' C 1 -7.882 -1.312 41.675 188 2H2* C 1 2H2' C 1 -7.657 -3.063 41.394 189 H1* C 1 H1' C 1 -7.337 -1.545 44.034 190 1H4 C 1 1H4 C 1 -1.159 -3.580 42.493 191 2H4 C 1 2H4 C 1 -1.108 -1.873 42.894 192 H5 C 1 H5 C 1 -3.315 -4.831 42.472 193 H6 C 1 H6 C 1 -5.693 -4.632 42.802 194 H5T C 1 H5' C 1 -8.314 -5.916 44.692 195 1H5* A 2 1H5' A 2 -8.917 1.222 44.002 196 2H5* A 2 2H5' A 2 -10.137 2.300 43.303 197 H4* A 2 H4' A 2 -8.059 3.471 43.584 198 H3* A 2 H3' A 2 -9.435 3.445 41.098 199 1H2* A 2 1H2' A 2 -7.098 3.673 39.691 200 2H2* A 2 2H2' A 2 -7.790 2.075 40.093 201 H1* A 2 H1' A 2 -5.765 3.665 41.750 202 H8 A 2 H8 A 2 -6.346 0.348 39.776 203 1H6 A 2 1H6 A 2 -0.352 -0.745 40.622 204 2H6 A 2 2H6 A 2 -1.881 -1.295 39.941 205 H2 A 2 H2 A 2 -1.268 3.291 42.364 206 1H5* T 3 1H5' T 3 -5.927 6.468 42.144 207 2H5* T 3 2H5' T 3 -6.307 8.046 41.433 208 H4* T 3 H4' T 3 -3.917 7.648 41.506 209 H3* T 3 H3' T 3 -5.299 8.392 39.090 210 1H2* T 3 1H2' T 3 -3.232 7.332 37.649 211 2H2* T 3 2H2' T 3 -4.715 6.418 38.014 212 H1* T 3 H1' T 3 -2.155 6.525 39.668 213 H3 T 3 H3 T 3 -0.277 2.486 38.713 214 1H5M T 3 1H5M T 3 -5.525 2.092 37.485 215 2H5M T 3 2H5M T 3 -4.508 1.987 36.029 216 3H5M T 3 3H5M T 3 -4.383 0.748 37.291 217 H6 T 3 H6 T 3 -4.713 4.249 38.157 218 1H5* G 4 1H5' G 4 -0.611 9.089 39.757 219 2H5* G 4 2H5' G 4 -0.178 10.607 38.952 220 H4* G 4 H4' G 4 1.642 9.056 38.830 221 H3* G 4 H3' G 4 0.581 10.293 36.489 222 1H2* G 4 1H2' G 4 1.303 8.186 34.935 223 2H2* G 4 2H2' G 4 -0.301 8.222 35.719 224 H1* G 4 H1' G 4 2.249 7.015 36.896 225 H8 G 4 H8 G 4 -1.438 6.112 35.945 226 H1 G 4 H1 G 4 2.703 1.202 35.897 227 1H2 G 4 1H2 G 4 5.011 3.713 36.826 228 2H2 G 4 2H2 G 4 4.819 2.022 36.403 229 1H5* T 5 1H5' T 5 4.867 8.189 36.676 230 2H5* T 5 2H5' T 5 5.991 9.192 35.741 231 H4* T 5 H4' T 5 6.595 6.802 35.735 232 H3* T 5 H3' T 5 6.337 8.414 33.337 233 1H2* T 5 1H2' T 5 6.230 5.973 32.001 234 2H2* T 5 2H2' T 5 4.815 6.997 32.346 235 H1* T 5 H1' T 5 5.930 4.698 34.021 236 H3 T 5 H3 T 5 2.696 1.747 32.627 237 1H5M T 5 1H5M T 5 0.184 5.896 31.513 238 2H5M T 5 2H5M T 5 -0.550 5.120 32.931 239 3H5M T 5 3H5M T 5 0.381 6.618 33.128 240 H6 T 5 H6 T 5 2.767 6.498 33.299 241 1H5* G 6 1H5' G 6 9.119 4.539 33.290 242 2H5* G 6 2H5' G 6 10.531 4.885 32.274 243 H4* G 6 H4' G 6 9.747 2.615 31.934 244 H3* G 6 H3' G 6 10.160 4.429 29.771 245 1H2* G 6 1H2' G 6 8.267 3.164 28.268 246 2H2* G 6 2H2' G 6 7.840 4.550 29.310 247 H1* G 6 H1' G 6 7.762 1.599 30.100 248 H8 G 6 H8 G 6 5.568 4.848 30.180 249 H1 G 6 H1 G 6 2.346 -0.596 29.060 250 1H2 G 6 1H2 G 6 5.560 -2.043 29.274 251 2H2 G 6 2H2 G 6 3.856 -2.356 29.010 252 1H5* A 7 1H5' A 7 9.979 -0.379 29.121 253 2H5* A 7 2H5' A 7 11.240 -0.710 27.920 254 H4* A 7 H4' A 7 9.438 -2.326 27.738 255 H3* A 7 H3' A 7 10.455 -0.907 25.522 256 1H2* A 7 1H2' A 7 8.041 -0.798 24.276 257 2H2* A 7 2H2' A 7 8.525 0.492 25.412 258 H1* A 7 H1' A 7 6.958 -2.043 26.108 259 H8 A 7 H8 A 7 6.906 1.827 26.679 260 1H6 A 7 1H6 A 7 0.816 1.412 25.814 261 2H6 A 7 2H6 A 7 2.178 2.443 26.244 262 H2 A 7 H2 A 7 2.531 -2.720 25.508 263 1H5* C 8 1H5' C 8 7.905 -5.007 24.946 264 2H5* C 8 2H5' C 8 8.699 -5.838 23.596 265 H4* C 8 H4' C 8 6.303 -6.385 23.768 266 H3* C 8 H3' C 8 7.593 -5.773 21.366 267 1H2* C 8 1H2' C 8 5.536 -4.346 20.343 268 2H2* C 8 2H2' C 8 6.773 -3.535 21.334 269 H1* C 8 H1' C 8 4.145 -4.750 22.304 270 1H4 C 8 1H4 C 8 3.866 1.944 22.950 271 2H4 C 8 2H4 C 8 2.292 1.358 22.422 272 H5 C 8 H5 C 8 5.806 0.398 23.144 273 H6 C 8 H6 C 8 6.470 -1.929 23.024 274 1H5* G 9 1H5' G 9 2.902 -6.841 21.273 275 2H5* G 9 2H5' G 9 2.834 -8.162 20.096 276 H4* G 9 H4' G 9 0.755 -7.018 20.084 277 H3* G 9 H3' G 9 2.292 -7.362 17.702 278 1H2* G 9 1H2' G 9 1.150 -5.142 16.588 279 2H2* G 9 2H2' G 9 2.677 -5.024 17.514 280 H1* G 9 H1' G 9 -0.148 -4.708 18.630 281 H8 G 9 H8 G 9 3.214 -2.850 19.255 282 H1 G 9 H1 G 9 -1.456 0.768 16.727 283 1H2 G 9 1H2 G 9 -3.317 -2.237 17.015 284 2H2 G 9 2H2 G 9 -3.414 -0.515 16.666 285 1H5* T 10 1H5' T 10 -2.420 -6.320 17.493 286 2H5* T 10 2H5' T 10 -3.022 -7.578 16.399 287 H4* T 10 H4' T 10 -4.417 -5.568 16.315 288 H3* T 10 H3' T 10 -3.488 -6.942 14.051 289 1H2* T 10 1H2' T 10 -3.170 -4.673 12.575 290 2H2* T 10 2H2' T 10 -1.832 -5.330 13.553 291 H1* T 10 H1' T 10 -3.889 -3.236 14.400 292 H3 T 10 H3 T 10 -1.101 0.223 13.305 293 1H5M T 10 1H5M T 10 2.040 -3.979 14.574 294 2H5M T 10 2H5M T 10 2.698 -2.415 14.066 295 3H5M T 10 3H5M T 10 2.228 -2.662 15.755 296 H6 T 10 H6 T 10 -0.352 -4.197 15.029 297 1H5* C 11 1H5' C 11 -6.674 -3.368 13.482 298 2H5* C 11 2H5' C 11 -7.902 -4.060 12.405 299 H4* C 11 H4' C 11 -7.710 -1.659 12.058 300 H3* C 11 H3' C 11 -7.540 -3.578 9.948 301 1H2* C 11 1H2' C 11 -6.029 -1.833 8.474 302 2H2* C 11 2H2' C 11 -5.298 -3.091 9.497 303 H1* C 11 H1' C 11 -5.925 -0.204 10.291 304 1H4 C 11 1H4 C 11 0.743 -1.105 10.469 305 2H4 C 11 2H4 C 11 0.453 0.523 9.889 306 H5 C 11 H5 C 11 -1.092 -2.689 10.903 307 H6 C 11 H6 C 11 -3.498 -2.934 10.958 308 1H5* A 12 1H5' A 12 -8.688 1.034 9.001 309 2H5* A 12 2H5' A 12 -9.947 0.936 7.754 310 H4* A 12 H4' A 12 -8.576 2.933 7.454 311 H3* A 12 H3' A 12 -9.183 1.155 5.372 312 1H2* A 12 1H2' A 12 -6.755 1.388 4.179 313 2H2* A 12 2H2' A 12 -7.019 0.150 5.434 314 H1* A 12 H1' A 12 -5.973 2.993 5.859 315 H8 A 12 H8 A 12 -5.233 -0.760 6.694 316 1H6 A 12 1H6 A 12 0.712 0.890 6.659 317 2H6 A 12 2H6 A 12 -0.463 -0.401 6.896 318 H2 A 12 H2 A 12 -1.744 4.555 5.837 319 1H5* C 13 1H5' C 13 -7.633 5.674 4.439 320 2H5* C 13 2H5' C 13 -8.582 6.155 3.019 321 H4* C 13 H4' C 13 -6.421 7.316 3.104 322 H3* C 13 H3' C 13 -7.436 6.115 0.805 323 1H2* C 13 1H2' C 13 -5.053 5.124 -0.034 324 2H2* C 13 2H2' C 13 -6.099 4.167 1.028 325 H1* C 13 H1' C 13 -3.843 6.065 1.849 326 1H4 C 13 1H4 C 13 -2.217 -0.230 3.596 327 2H4 C 13 2H4 C 13 -0.721 0.626 3.277 328 H5 C 13 H5 C 13 -4.413 0.808 3.260 329 H6 C 13 H6 C 13 -5.543 2.878 2.758 330 1H5* A 14 1H5' A 14 -3.586 9.131 0.452 331 2H5* A 14 2H5' A 14 -4.122 10.137 -0.907 332 H4* A 14 H4' A 14 -1.709 10.123 -0.802 333 H3* A 14 H3' A 14 -3.125 9.631 -3.124 334 1H2* A 14 1H2' A 14 -1.434 7.665 -4.008 335 2H2* A 14 2H2' A 14 -2.927 7.296 -3.107 336 H1* A 14 H1' A 14 -0.077 7.459 -2.130 337 H8 A 14 H8 A 14 -3.499 5.704 -1.489 338 1H6 A 14 1H6 A 14 -0.206 0.753 0.153 339 2H6 A 14 2H6 A 14 -1.803 1.472 -0.044 340 H2 A 14 H2 A 14 2.662 4.010 -0.924 341 1H5* T 15 1H5' T 15 1.536 9.413 -4.024 342 2H5* T 15 2H5' T 15 1.827 10.089 -5.639 343 H4* T 15 H4' T 15 2.966 7.951 -5.405 344 H3* T 15 H3' T 15 1.137 8.459 -7.539 345 1H2* T 15 1H2' T 15 0.476 5.811 -7.684 346 2H2* T 15 2H2' T 15 -0.428 6.947 -6.646 347 H1* T 15 H1' T 15 2.063 5.372 -5.843 348 H3 T 15 H3 T 15 0.465 1.853 -3.505 349 1H5M T 15 1H5M T 15 -3.879 3.575 -3.539 350 2H5M T 15 2H5M T 15 -3.718 5.167 -4.294 351 3H5M T 15 3H5M T 15 -3.857 3.712 -5.308 352 H6 T 15 H6 T 15 -1.596 5.817 -5.244 353 1H5* G 16 1H5' G 16 5.287 6.167 -8.143 354 2H5* G 16 2H5' G 16 5.693 6.295 -9.866 355 H4* G 16 H4' G 16 6.713 4.301 -8.846 356 H3* G 16 H3' G 16 5.330 4.201 -11.259 357 1H2* G 16 1H2' G 16 4.095 1.832 -10.731 358 2H2* G 16 2H2' G 16 3.297 3.387 -10.348 359 H1* G 16 H1' G 16 4.899 1.581 -8.499 360 H8 G 16 H8 G 16 2.055 4.241 -8.226 361 H1 G 16 H1 G 16 0.495 -1.537 -5.921 362 1H2 G 16 1H2 G 16 3.792 -2.370 -6.961 363 2H2 G 16 2H2 G 16 2.320 -2.981 -6.242 364 H3T G 16 H3T G 16 7.299 3.110 -10.755 Start of MODEL 5 1 1H5* C 1 1H5' C 1 -1.935 -8.689 -7.720 2 2H5* C 1 2H5' C 1 -1.087 -9.870 -6.706 3 H4* C 1 H4' C 1 0.478 -8.334 -7.854 4 H3* C 1 H3' C 1 0.602 -9.001 -5.125 5 1H2* C 1 1H2' C 1 1.550 -6.539 -4.441 6 2H2* C 1 2H2' C 1 -0.199 -6.901 -4.387 7 H1* C 1 H1' C 1 1.399 -5.727 -6.715 8 1H4 C 1 1H4 C 1 -2.744 -0.823 -4.832 9 2H4 C 1 2H4 C 1 -1.124 -0.169 -4.986 10 H5 C 1 H5 C 1 -3.196 -3.246 -5.226 11 H6 C 1 H6 C 1 -2.179 -5.357 -5.781 12 H5T C 1 H5' C 1 -2.336 -7.474 -5.825 13 1H5* A 2 1H5' A 2 4.429 -6.324 -6.563 14 2H5* A 2 2H5' A 2 5.804 -7.223 -5.897 15 H4* A 2 H4' A 2 6.228 -4.866 -5.784 16 H3* A 2 H3' A 2 6.483 -6.531 -3.494 17 1H2* A 2 1H2' A 2 5.813 -4.480 -1.809 18 2H2* A 2 2H2' A 2 4.569 -5.579 -2.474 19 H1* A 2 H1' A 2 5.512 -2.931 -3.685 20 H8 A 2 H8 A 2 2.432 -4.824 -2.208 21 1H6 A 2 1H6 A 2 -0.522 0.563 -2.530 22 2H6 A 2 2H6 A 2 -0.588 -1.142 -2.089 23 H2 A 2 H2 A 2 3.723 1.252 -3.811 24 1H5* T 3 1H5' T 3 8.261 -2.136 -3.835 25 2H5* T 3 2H5' T 3 9.836 -2.111 -3.022 26 H4* T 3 H4' T 3 8.728 0.045 -2.881 27 H3* T 3 H3' T 3 9.741 -1.337 -0.577 28 1H2* T 3 1H2' T 3 7.977 -0.002 0.997 29 2H2* T 3 2H2' T 3 7.600 -1.604 0.317 30 H1* T 3 H1' T 3 7.014 1.107 -0.950 31 H3 T 3 H3 T 3 2.530 1.554 -0.260 32 1H5M T 3 1H5M T 3 2.036 -3.036 0.495 33 2H5M T 3 2H5M T 3 3.676 -3.690 0.321 34 3H5M T 3 3H5M T 3 3.163 -2.964 1.862 35 H6 T 3 H6 T 3 5.528 -2.192 0.007 36 1H5* G 4 1H5' G 4 8.929 3.380 -0.707 37 2H5* G 4 2H5' G 4 10.157 4.179 0.290 38 H4* G 4 H4' G 4 8.044 5.370 0.345 39 H3* G 4 H3' G 4 9.457 4.647 2.711 40 1H2* G 4 1H2' G 4 7.154 4.470 4.142 41 2H2* G 4 2H2' G 4 7.805 3.045 3.288 42 H1* G 4 H1' G 4 5.812 5.069 2.152 43 H8 G 4 H8 G 4 6.328 1.250 2.802 44 H1 G 4 H1 G 4 0.208 3.169 2.676 45 1H2 G 4 1H2 G 4 1.648 6.342 2.137 46 2H2 G 4 2H2 G 4 0.149 5.460 2.372 47 1H5* T 5 1H5' T 5 5.924 7.834 2.559 48 2H5* T 5 2H5' T 5 6.390 9.195 3.593 49 H4* T 5 H4' T 5 3.957 8.891 3.466 50 H3* T 5 H3' T 5 5.428 9.074 5.961 51 1H2* T 5 1H2' T 5 3.131 8.012 7.118 52 2H2* T 5 2H2' T 5 4.610 7.079 6.776 53 H1* T 5 H1' T 5 2.149 7.414 4.997 54 H3 T 5 H3 T 5 0.480 3.269 6.102 55 1H5M T 5 1H5M T 5 5.872 2.857 5.749 56 2H5M T 5 2H5M T 5 5.203 2.298 7.300 57 3H5M T 5 3H5M T 5 4.796 1.447 5.796 58 H6 T 5 H6 T 5 4.920 5.047 5.675 59 1H5* G 6 1H5' G 6 0.823 10.274 5.784 60 2H5* G 6 2H5' G 6 0.575 11.671 6.850 61 H4* G 6 H4' G 6 -1.296 10.128 6.983 62 H3* G 6 H3' G 6 0.099 11.051 9.294 63 1H2* G 6 1H2' G 6 -0.527 8.771 10.655 64 2H2* G 6 2H2' G 6 0.996 8.904 9.729 65 H1* G 6 H1' G 6 -1.669 7.828 8.692 66 H8 G 6 H8 G 6 2.146 6.931 8.819 67 H1 G 6 H1 G 6 -1.855 1.943 9.448 68 1H2 G 6 1H2 G 6 -4.329 4.456 9.221 69 2H2 G 6 2H2 G 6 -4.039 2.739 9.418 70 1H5* A 7 1H5' A 7 -4.358 9.133 9.604 71 2H5* A 7 2H5' A 7 -5.185 10.152 10.797 72 H4* A 7 H4' A 7 -6.050 7.891 10.882 73 H3* A 7 H3' A 7 -5.167 9.272 13.179 74 1H2* A 7 1H2' A 7 -4.257 7.011 14.385 75 2H2* A 7 2H2' A 7 -3.180 7.957 13.320 76 H1* A 7 H1' A 7 -4.972 5.625 12.475 77 H8 A 7 H8 A 7 -1.302 6.942 12.143 78 1H6 A 7 1H6 A 7 0.378 1.039 12.751 79 2H6 A 7 2H6 A 7 0.896 2.694 12.444 80 H2 A 7 H2 A 7 -4.099 1.210 12.853 81 1H5* C 8 1H5' C 8 -8.186 5.460 13.541 82 2H5* C 8 2H5' C 8 -9.265 5.881 14.884 83 H4* C 8 H4' C 8 -8.960 3.446 14.641 84 H3* C 8 H3' C 8 -8.866 4.790 17.089 85 1H2* C 8 1H2' C 8 -6.845 3.302 18.101 86 2H2* C 8 2H2' C 8 -6.488 4.778 17.171 87 H1* C 8 H1' C 8 -6.712 1.929 16.093 88 1H4 C 8 1H4 C 8 -0.319 3.999 15.676 89 2H4 C 8 2H4 C 8 -0.332 2.294 16.113 90 H5 C 8 H5 C 8 -2.432 5.293 15.497 91 H6 C 8 H6 C 8 -4.847 5.109 15.545 92 1H5* G 9 1H5' G 9 -8.268 -0.004 17.121 93 2H5* G 9 2H5' G 9 -9.496 -0.526 18.286 94 H4* G 9 H4' G 9 -7.718 -2.079 18.335 95 H3* G 9 H3' G 9 -8.554 -0.707 20.700 96 1H2* G 9 1H2' G 9 -6.081 -1.058 21.816 97 2H2* G 9 2H2' G 9 -6.474 0.421 20.887 98 H1* G 9 H1' G 9 -5.241 -2.144 19.780 99 H8 G 9 H8 G 9 -4.608 1.642 19.133 100 H1 G 9 H1 G 9 0.374 -1.558 21.630 101 1H2 G 9 1H2 G 9 -1.870 -4.298 21.434 102 2H2 G 9 2H2 G 9 -0.207 -3.824 21.754 103 1H5* T 10 1H5' T 10 -5.989 -4.824 21.073 104 2H5* T 10 2H5' T 10 -6.977 -5.752 22.218 105 H4* T 10 H4' T 10 -4.624 -6.370 22.392 106 H3* T 10 H3' T 10 -6.254 -5.743 24.602 107 1H2* T 10 1H2' T 10 -4.197 -4.631 26.001 108 2H2* T 10 2H2' T 10 -5.238 -3.641 24.946 109 H1* T 10 H1' T 10 -2.616 -5.013 24.184 110 H3 T 10 H3 T 10 -0.149 -1.251 25.032 111 1H5M T 10 1H5M T 10 -5.134 0.359 23.621 112 2H5M T 10 2H5M T 10 -3.930 1.463 24.306 113 3H5M T 10 3H5M T 10 -3.843 1.025 22.593 114 H6 T 10 H6 T 10 -4.609 -1.974 23.401 115 1H5* C 11 1H5' C 11 -1.894 -7.725 25.397 116 2H5* C 11 2H5' C 11 -2.225 -8.979 26.607 117 H4* C 11 H4' C 11 0.018 -8.077 26.884 118 H3* C 11 H3' C 11 -1.861 -8.279 29.014 119 1H2* C 11 1H2' C 11 -0.730 -6.143 30.290 120 2H2* C 11 2H2' C 11 -2.105 -5.942 29.177 121 H1* C 11 H1' C 11 0.866 -5.789 28.460 122 1H4 C 11 1H4 C 11 -1.862 0.323 27.715 123 2H4 C 11 2H4 C 11 -0.230 0.542 28.315 124 H5 C 11 H5 C 11 -2.863 -1.917 27.436 125 H6 C 11 H6 C 11 -2.419 -4.288 27.569 126 1H5* A 12 1H5' A 12 2.923 -8.298 29.756 127 2H5* A 12 2H5' A 12 3.174 -9.400 31.123 128 H4* A 12 H4' A 12 4.900 -7.641 30.987 129 H3* A 12 H3' A 12 3.682 -8.430 33.351 130 1H2* A 12 1H2' A 12 3.345 -5.942 34.360 131 2H2* A 12 2H2' A 12 2.094 -6.640 33.308 132 H1* A 12 H1' A 12 4.431 -4.861 32.466 133 H8 A 12 H8 A 12 0.591 -5.403 31.955 134 1H6 A 12 1H6 A 12 0.231 0.758 31.730 135 2H6 A 12 2H6 A 12 -0.629 -0.775 31.630 136 H2 A 12 H2 A 12 4.543 -0.360 32.248 137 1H5* C 13 1H5' C 13 7.458 -5.410 33.433 138 2H5* C 13 2H5' C 13 8.460 -5.986 34.779 139 H4* C 13 H4' C 13 8.747 -3.575 34.381 140 H3* C 13 H3' C 13 8.248 -4.740 36.908 141 1H2* C 13 1H2' C 13 6.997 -2.432 37.753 142 2H2* C 13 2H2' C 13 6.109 -3.865 37.161 143 H1* C 13 H1' C 13 6.961 -1.383 35.608 144 1H4 C 13 1H4 C 13 0.327 -2.192 34.948 145 2H4 C 13 2H4 C 13 0.619 -0.477 35.177 146 H5 C 13 H5 C 13 2.106 -3.866 35.202 147 H6 C 13 H6 C 13 4.498 -4.155 35.432 148 1H5* A 14 1H5' A 14 9.416 -0.057 37.489 149 2H5* A 14 2H5' A 14 10.543 -0.101 38.860 150 H4* A 14 H4' A 14 9.015 1.692 39.231 151 H3* A 14 H3' A 14 9.277 -0.420 41.122 152 1H2* A 14 1H2' A 14 6.697 -0.093 41.948 153 2H2* A 14 2H2' A 14 7.113 -1.260 40.657 154 H1* A 14 H1' A 14 6.282 1.663 40.304 155 H8 A 14 H8 A 14 5.394 -2.000 39.257 156 1H6 A 14 1H6 A 14 -0.177 0.233 37.844 157 2H6 A 14 2H6 A 14 0.888 -1.170 37.874 158 H2 A 14 H2 A 14 2.318 3.632 39.330 159 1H5* T 15 1H5' T 15 8.329 4.108 42.585 160 2H5* T 15 2H5' T 15 8.958 4.232 44.241 161 H4* T 15 H4' T 15 6.981 5.695 43.805 162 H3* T 15 H3' T 15 7.344 4.260 46.131 163 1H2* T 15 1H2' T 15 4.841 3.245 46.303 164 2H2* T 15 2H2' T 15 6.088 2.389 45.396 165 H1* T 15 H1' T 15 4.104 4.457 44.353 166 H3 T 15 H3 T 15 1.175 1.866 42.058 167 1H5M T 15 1H5M T 15 4.565 -1.620 42.006 168 2H5M T 15 2H5M T 15 5.383 -1.264 43.544 169 3H5M T 15 3H5M T 15 3.720 -1.877 43.540 170 H6 T 15 H6 T 15 5.560 1.043 43.840 171 1H5* G 16 1H5' G 16 3.850 7.740 46.039 172 2H5* G 16 2H5' G 16 3.896 8.384 47.692 173 H4* G 16 H4' G 16 1.667 8.640 46.722 174 H3* G 16 H3' G 16 2.075 7.590 49.267 175 1H2* G 16 1H2' G 16 0.136 5.691 49.050 176 2H2* G 16 2H2' G 16 1.837 5.321 48.634 177 H1* G 16 H1' G 16 -0.433 6.114 46.766 178 H8 G 16 H8 G 16 2.910 4.139 46.711 179 H1 G 16 H1 G 16 -2.101 0.825 44.474 180 1H2 G 16 1H2 G 16 -3.905 3.738 45.406 181 2H2 G 16 2H2 G 16 -4.034 2.117 44.764 182 H3T G 16 H3T G 16 -0.183 7.953 49.499 183 1H5* C 1 1H5' C 1 -9.513 -4.450 44.583 184 2H5* C 1 2H5' C 1 -7.925 -4.745 43.841 185 H4* C 1 H4' C 1 -8.508 -2.635 45.969 186 H3* C 1 H3' C 1 -9.148 -2.505 43.211 187 1H2* C 1 1H2' C 1 -7.127 -0.736 42.731 188 2H2* C 1 2H2' C 1 -6.891 -2.494 42.510 189 H1* C 1 H1' C 1 -6.363 -0.851 45.039 190 1H4 C 1 1H4 C 1 -0.307 -2.839 43.014 191 2H4 C 1 2H4 C 1 -0.253 -1.120 43.361 192 H5 C 1 H5 C 1 -2.428 -4.128 43.247 193 H6 C 1 H6 C 1 -4.768 -3.958 43.787 194 H5T C 1 H5' C 1 -8.370 -6.136 45.608 195 1H5* A 2 1H5' A 2 -7.980 1.876 45.033 196 2H5* A 2 2H5' A 2 -9.286 2.900 44.413 197 H4* A 2 H4' A 2 -7.223 4.124 44.426 198 H3* A 2 H3' A 2 -8.825 3.933 42.084 199 1H2* A 2 1H2' A 2 -6.636 4.130 40.454 200 2H2* A 2 2H2' A 2 -7.249 2.545 41.007 201 H1* A 2 H1' A 2 -5.115 4.261 42.377 202 H8 A 2 H8 A 2 -5.802 0.849 40.617 203 1H6 A 2 1H6 A 2 0.254 -0.122 40.963 204 2H6 A 2 2H6 A 2 -1.312 -0.700 40.405 205 H2 A 2 H2 A 2 -0.564 3.981 42.600 206 1H5* T 3 1H5' T 3 -5.266 6.964 42.579 207 2H5* T 3 2H5' T 3 -5.669 8.510 41.811 208 H4* T 3 H4' T 3 -3.298 8.003 41.662 209 H3* T 3 H3' T 3 -4.911 8.673 39.360 210 1H2* T 3 1H2' T 3 -2.995 7.500 37.795 211 2H2* T 3 2H2' T 3 -4.473 6.657 38.313 212 H1* T 3 H1' T 3 -1.774 6.711 39.735 213 H3 T 3 H3 T 3 -0.180 2.565 38.705 214 1H5M T 3 1H5M T 3 -5.549 2.371 38.114 215 2H5M T 3 2H5M T 3 -4.711 2.144 36.559 216 3H5M T 3 3H5M T 3 -4.495 0.965 37.867 217 H6 T 3 H6 T 3 -4.579 4.501 38.615 218 1H5* G 4 1H5' G 4 -0.196 9.310 39.581 219 2H5* G 4 2H5' G 4 0.216 10.765 38.656 220 H4* G 4 H4' G 4 1.970 9.130 38.511 221 H3* G 4 H3' G 4 0.820 10.310 36.185 222 1H2* G 4 1H2' G 4 1.351 8.107 34.685 223 2H2* G 4 2H2' G 4 -0.198 8.246 35.565 224 H1* G 4 H1' G 4 2.372 6.988 36.636 225 H8 G 4 H8 G 4 -1.403 6.177 35.979 226 H1 G 4 H1 G 4 2.614 1.174 35.662 227 1H2 G 4 1H2 G 4 5.036 3.654 36.356 228 2H2 G 4 2H2 G 4 4.783 1.959 35.978 229 1H5* T 5 1H5' T 5 5.018 8.000 36.212 230 2H5* T 5 2H5' T 5 6.120 8.947 35.198 231 H4* T 5 H4' T 5 6.671 6.549 35.212 232 H3* T 5 H3' T 5 6.303 8.106 32.794 233 1H2* T 5 1H2' T 5 6.057 5.642 31.526 234 2H2* T 5 2H2' T 5 4.686 6.701 31.941 235 H1* T 5 H1' T 5 5.862 4.416 33.593 236 H3 T 5 H3 T 5 2.504 1.527 32.336 237 1H5M T 5 1H5M T 5 0.302 6.422 33.074 238 2H5M T 5 2H5M T 5 -0.019 5.722 31.470 239 3H5M T 5 3H5M T 5 -0.664 4.941 32.928 240 H6 T 5 H6 T 5 2.687 6.263 33.100 241 1H5* G 6 1H5' G 6 8.972 4.166 32.690 242 2H5* G 6 2H5' G 6 10.342 4.450 31.600 243 H4* G 6 H4' G 6 9.481 2.191 31.364 244 H3* G 6 H3' G 6 9.854 3.935 29.134 245 1H2* G 6 1H2' G 6 7.872 2.666 27.745 246 2H2* G 6 2H2' G 6 7.524 4.099 28.754 247 H1* G 6 H1' G 6 7.394 1.179 29.645 248 H8 G 6 H8 G 6 5.309 4.498 29.747 249 H1 G 6 H1 G 6 1.875 -0.852 28.826 250 1H2 G 6 1H2 G 6 5.043 -2.403 28.960 251 2H2 G 6 2H2 G 6 3.319 -2.663 28.771 252 1H5* A 7 1H5' A 7 9.493 -0.869 28.657 253 2H5* A 7 2H5' A 7 10.714 -1.284 27.441 254 H4* A 7 H4' A 7 8.866 -2.853 27.359 255 H3* A 7 H3' A 7 9.863 -1.538 25.071 256 1H2* A 7 1H2' A 7 7.421 -1.406 23.882 257 2H2* A 7 2H2' A 7 7.969 -0.090 24.958 258 H1* A 7 H1' A 7 6.351 -2.552 25.781 259 H8 A 7 H8 A 7 6.426 1.336 26.225 260 1H6 A 7 1H6 A 7 0.299 1.063 25.566 261 2H6 A 7 2H6 A 7 1.701 2.072 25.912 262 H2 A 7 H2 A 7 1.889 -3.122 25.359 263 1H5* C 8 1H5' C 8 7.194 -5.584 24.700 264 2H5* C 8 2H5' C 8 7.936 -6.481 23.362 265 H4* C 8 H4' C 8 5.533 -6.962 23.594 266 H3* C 8 H3' C 8 6.787 -6.433 21.152 267 1H2* C 8 1H2' C 8 4.731 -4.996 20.138 268 2H2* C 8 2H2' C 8 6.010 -4.185 21.075 269 H1* C 8 H1' C 8 3.382 -5.319 22.143 270 1H4 C 8 1H4 C 8 3.267 1.398 22.587 271 2H4 C 8 2H4 C 8 1.659 0.833 22.149 272 H5 C 8 H5 C 8 5.176 -0.183 22.769 273 H6 C 8 H6 C 8 5.786 -2.526 22.704 274 1H5* G 9 1H5' G 9 2.057 -7.398 21.112 275 2H5* G 9 2H5' G 9 1.955 -8.727 19.944 276 H4* G 9 H4' G 9 -0.083 -7.539 19.890 277 H3* G 9 H3' G 9 1.493 -7.883 17.530 278 1H2* G 9 1H2' G 9 0.382 -5.645 16.419 279 2H2* G 9 2H2' G 9 1.903 -5.551 17.358 280 H1* G 9 H1' G 9 -0.928 -5.206 18.449 281 H8 G 9 H8 G 9 2.454 -3.392 19.112 282 H1 G 9 H1 G 9 -2.173 0.300 16.610 283 1H2 G 9 1H2 G 9 -4.047 -2.705 16.810 284 2H2 G 9 2H2 G 9 -4.132 -0.979 16.483 285 1H5* T 10 1H5' T 10 -3.214 -6.780 17.185 286 2H5* T 10 2H5' T 10 -3.790 -8.008 16.041 287 H4* T 10 H4' T 10 -5.136 -5.972 15.915 288 H3* T 10 H3' T 10 -4.088 -7.312 13.675 289 1H2* T 10 1H2' T 10 -3.706 -5.005 12.270 290 2H2* T 10 2H2' T 10 -2.414 -5.694 13.289 291 H1* T 10 H1' T 10 -4.504 -3.619 14.104 292 H3 T 10 H3 T 10 -1.681 -0.125 13.233 293 1H5M T 10 1H5M T 10 2.074 -2.862 13.952 294 2H5M T 10 2H5M T 10 1.609 -3.005 15.654 295 3H5M T 10 3H5M T 10 1.394 -4.384 14.550 296 H6 T 10 H6 T 10 -0.993 -4.602 14.830 297 1H5* C 11 1H5' C 11 -7.239 -3.716 12.947 298 2H5* C 11 2H5' C 11 -8.384 -4.394 11.774 299 H4* C 11 H4' C 11 -8.165 -2.007 11.449 300 H3* C 11 H3' C 11 -7.801 -3.904 9.344 301 1H2* C 11 1H2' C 11 -6.175 -2.147 8.019 302 2H2* C 11 2H2' C 11 -5.525 -3.399 9.106 303 H1* C 11 H1' C 11 -6.264 -0.525 9.849 304 1H4 C 11 1H4 C 11 0.390 -1.265 10.533 305 2H4 C 11 2H4 C 11 0.098 0.363 9.951 306 H5 C 11 H5 C 11 -1.432 -2.905 10.804 307 H6 C 11 H6 C 11 -3.828 -3.207 10.687 308 1H5* A 12 1H5' A 12 -9.073 0.692 8.400 309 2H5* A 12 2H5' A 12 -10.201 0.572 7.036 310 H4* A 12 H4' A 12 -8.917 2.658 6.961 311 H3* A 12 H3' A 12 -9.280 0.982 4.752 312 1H2* A 12 1H2' A 12 -6.772 1.332 3.776 313 2H2* A 12 2H2' A 12 -7.097 0.032 4.950 314 H1* A 12 H1' A 12 -6.170 2.877 5.577 315 H8 A 12 H8 A 12 -5.412 -0.888 6.336 316 1H6 A 12 1H6 A 12 0.488 0.877 6.752 317 2H6 A 12 2H6 A 12 -0.670 -0.446 6.860 318 H2 A 12 H2 A 12 -1.992 4.525 5.933 319 1H5* C 13 1H5' C 13 -7.708 5.571 4.123 320 2H5* C 13 2H5' C 13 -8.569 6.084 2.659 321 H4* C 13 H4' C 13 -6.443 7.273 2.912 322 H3* C 13 H3' C 13 -7.279 6.104 0.522 323 1H2* C 13 1H2' C 13 -4.813 5.208 -0.180 324 2H2* C 13 2H2' C 13 -5.901 4.191 0.780 325 H1* C 13 H1' C 13 -3.762 6.122 1.810 326 1H4 C 13 1H4 C 13 -2.107 -0.185 3.487 327 2H4 C 13 2H4 C 13 -0.613 0.703 3.265 328 H5 C 13 H5 C 13 -4.302 0.821 3.056 329 H6 C 13 H6 C 13 -5.441 2.883 2.540 330 1H5* A 14 1H5' A 14 -3.482 9.197 0.499 331 2H5* A 14 2H5' A 14 -3.941 10.228 -0.869 332 H4* A 14 H4' A 14 -1.540 10.247 -0.596 333 H3* A 14 H3' A 14 -2.791 9.793 -3.023 334 1H2* A 14 1H2' A 14 -0.996 7.895 -3.842 335 2H2* A 14 2H2' A 14 -2.537 7.465 -3.053 336 H1* A 14 H1' A 14 0.237 7.678 -1.876 337 H8 A 14 H8 A 14 -3.164 5.800 -1.527 338 1H6 A 14 1H6 A 14 0.179 0.896 0.172 339 2H6 A 14 2H6 A 14 -1.427 1.570 -0.106 340 H2 A 14 H2 A 14 2.997 4.277 -0.600 341 1H5* T 15 1H5' T 15 1.941 9.743 -3.595 342 2H5* T 15 2H5' T 15 2.315 10.485 -5.164 343 H4* T 15 H4' T 15 3.524 8.386 -4.912 344 H3* T 15 H3' T 15 1.843 8.901 -7.161 345 1H2* T 15 1H2' T 15 1.291 6.240 -7.442 346 2H2* T 15 2H2' T 15 0.272 7.307 -6.438 347 H1* T 15 H1' T 15 2.752 5.786 -5.504 348 H3 T 15 H3 T 15 1.106 2.141 -3.405 349 1H5M T 15 1H5M T 15 -3.137 3.936 -5.445 350 2H5M T 15 2H5M T 15 -3.279 3.742 -3.686 351 3H5M T 15 3H5M T 15 -3.113 5.362 -4.380 352 H6 T 15 H6 T 15 -0.952 6.100 -5.159 353 1H5* G 16 1H5' G 16 6.104 6.744 -7.531 354 2H5* G 16 2H5' G 16 6.622 6.953 -9.216 355 H4* G 16 H4' G 16 7.634 4.951 -8.206 356 H3* G 16 H3' G 16 6.424 4.908 -10.711 357 1H2* G 16 1H2' G 16 5.234 2.484 -10.363 358 2H2* G 16 2H2' G 16 4.361 3.998 -9.976 359 H1* G 16 H1' G 16 5.891 2.167 -8.092 360 H8 G 16 H8 G 16 2.949 4.727 -7.913 361 H1 G 16 H1 G 16 1.430 -1.184 -5.942 362 1H2 G 16 1H2 G 16 4.815 -1.872 -6.787 363 2H2 G 16 2H2 G 16 3.321 -2.558 -6.190 364 H3T G 16 H3T G 16 8.389 3.857 -10.118 Start of MODEL 6 1 1H5* C 1 1H5' C 1 -2.550 -9.739 -6.032 2 2H5* C 1 2H5' C 1 -1.691 -10.737 -4.844 3 H4* C 1 H4' C 1 -0.157 -9.525 -6.385 4 H3* C 1 H3' C 1 0.197 -9.763 -3.634 5 1H2* C 1 1H2' C 1 1.148 -7.233 -3.330 6 2H2* C 1 2H2' C 1 -0.592 -7.581 -3.134 7 H1* C 1 H1' C 1 0.883 -6.700 -5.662 8 1H4 C 1 1H4 C 1 -3.304 -1.682 -4.219 9 2H4 C 1 2H4 C 1 -1.706 -1.024 -4.528 10 H5 C 1 H5 C 1 -3.713 -4.146 -4.300 11 H6 C 1 H6 C 1 -2.668 -6.289 -4.639 12 H5T C 1 H5' C 1 -3.396 -9.504 -3.929 13 1H5* A 2 1H5' A 2 3.897 -7.272 -5.651 14 2H5* A 2 2H5' A 2 5.321 -8.062 -4.954 15 H4* A 2 H4' A 2 5.700 -5.702 -5.173 16 H3* A 2 H3' A 2 6.136 -7.052 -2.711 17 1H2* A 2 1H2' A 2 5.525 -4.810 -1.263 18 2H2* A 2 2H2' A 2 4.267 -6.005 -1.699 19 H1* A 2 H1' A 2 5.073 -3.523 -3.300 20 H8 A 2 H8 A 2 2.138 -5.245 -1.386 21 1H6 A 2 1H6 A 2 -0.949 0.014 -2.224 22 2H6 A 2 2H6 A 2 -0.958 -1.625 -1.575 23 H2 A 2 H2 A 2 3.194 0.580 -3.853 24 1H5* T 3 1H5' T 3 7.867 -2.724 -3.733 25 2H5* T 3 2H5' T 3 9.477 -2.586 -3.004 26 H4* T 3 H4' T 3 8.337 -0.434 -3.099 27 H3* T 3 H3' T 3 9.492 -1.489 -0.688 28 1H2* T 3 1H2' T 3 7.800 0.074 0.771 29 2H2* T 3 2H2' T 3 7.425 -1.620 0.373 30 H1* T 3 H1' T 3 6.695 0.860 -1.246 31 H3 T 3 H3 T 3 2.250 1.289 -0.320 32 1H5M T 3 1H5M T 3 3.178 -2.907 2.318 33 2H5M T 3 2H5M T 3 1.955 -3.174 1.062 34 3H5M T 3 3H5M T 3 3.597 -3.811 0.844 35 H6 T 3 H6 T 3 5.378 -2.322 0.218 36 1H5* G 4 1H5' G 4 8.583 3.201 -1.293 37 2H5* G 4 2H5' G 4 9.868 4.090 -0.455 38 H4* G 4 H4' G 4 7.796 5.290 -0.318 39 H3* G 4 H3' G 4 9.310 4.648 2.014 40 1H2* G 4 1H2' G 4 7.077 4.604 3.557 41 2H2* G 4 2H2' G 4 7.648 3.118 2.748 42 H1* G 4 H1' G 4 5.660 5.140 1.604 43 H8 G 4 H8 G 4 6.058 1.350 2.486 44 H1 G 4 H1 G 4 0.023 3.544 2.505 45 1H2 G 4 1H2 G 4 1.583 6.584 1.606 46 2H2 G 4 2H2 G 4 0.060 5.810 2.005 47 1H5* T 5 1H5' T 5 5.899 7.974 1.892 48 2H5* T 5 2H5' T 5 6.441 9.351 2.868 49 H4* T 5 H4' T 5 3.989 9.076 2.838 50 H3* T 5 H3' T 5 5.561 9.363 5.258 51 1H2* T 5 1H2' T 5 3.306 8.378 6.557 52 2H2* T 5 2H2' T 5 4.764 7.419 6.205 53 H1* T 5 H1' T 5 2.236 7.692 4.512 54 H3 T 5 H3 T 5 0.567 3.608 5.790 55 1H5M T 5 1H5M T 5 4.857 1.736 5.556 56 2H5M T 5 2H5M T 5 5.939 3.127 5.359 57 3H5M T 5 3H5M T 5 5.327 2.695 6.973 58 H6 T 5 H6 T 5 5.010 5.338 5.245 59 1H5* G 6 1H5' G 6 0.940 10.611 5.275 60 2H5* G 6 2H5' G 6 0.768 12.036 6.316 61 H4* G 6 H4' G 6 -1.094 10.512 6.615 62 H3* G 6 H3' G 6 0.456 11.481 8.809 63 1H2* G 6 1H2' G 6 -0.101 9.239 10.264 64 2H2* G 6 2H2' G 6 1.358 9.336 9.238 65 H1* G 6 H1' G 6 -1.378 8.261 8.401 66 H8 G 6 H8 G 6 2.431 7.334 8.335 67 H1 G 6 H1 G 6 -1.560 2.394 9.307 68 1H2 G 6 1H2 G 6 -4.034 4.907 9.118 69 2H2 G 6 2H2 G 6 -3.737 3.195 9.346 70 1H5* A 7 1H5' A 7 -3.997 9.639 9.405 71 2H5* A 7 2H5' A 7 -4.746 10.680 10.629 72 H4* A 7 H4' A 7 -5.633 8.426 10.768 73 H3* A 7 H3' A 7 -4.645 9.825 13.011 74 1H2* A 7 1H2' A 7 -3.709 7.567 14.205 75 2H2* A 7 2H2' A 7 -2.667 8.489 13.086 76 H1* A 7 H1' A 7 -4.515 6.166 12.342 77 H8 A 7 H8 A 7 -0.855 7.447 11.809 78 1H6 A 7 1H6 A 7 0.822 1.561 12.561 79 2H6 A 7 2H6 A 7 1.332 3.200 12.167 80 H2 A 7 H2 A 7 -3.648 1.759 12.828 81 1H5* C 8 1H5' C 8 -7.636 6.033 13.487 82 2H5* C 8 2H5' C 8 -8.693 6.463 14.845 83 H4* C 8 H4' C 8 -8.403 4.028 14.606 84 H3* C 8 H3' C 8 -8.271 5.378 17.046 85 1H2* C 8 1H2' C 8 -6.233 3.901 18.036 86 2H2* C 8 2H2' C 8 -5.887 5.367 17.085 87 H1* C 8 H1' C 8 -6.134 2.509 16.039 88 1H4 C 8 1H4 C 8 0.260 4.544 15.503 89 2H4 C 8 2H4 C 8 0.238 2.851 15.987 90 H5 C 8 H5 C 8 -1.854 5.844 15.310 91 H6 C 8 H6 C 8 -4.269 5.672 15.404 92 1H5* G 9 1H5' G 9 -7.677 0.590 17.065 93 2H5* G 9 2H5' G 9 -8.905 0.067 18.230 94 H4* G 9 H4' G 9 -7.129 -1.500 18.252 95 H3* G 9 H3' G 9 -7.974 -0.168 20.633 96 1H2* G 9 1H2' G 9 -5.501 -0.504 21.751 97 2H2* G 9 2H2' G 9 -5.902 0.978 20.830 98 H1* G 9 H1' G 9 -4.653 -1.575 19.709 99 H8 G 9 H8 G 9 -4.026 2.213 19.078 100 H1 G 9 H1 G 9 0.930 -0.970 21.646 101 1H2 G 9 1H2 G 9 -1.282 -3.728 21.370 102 2H2 G 9 2H2 G 9 0.373 -3.243 21.716 103 1H5* T 10 1H5' T 10 -5.417 -4.280 20.882 104 2H5* T 10 2H5' T 10 -6.425 -5.249 21.973 105 H4* T 10 H4' T 10 -4.078 -5.915 22.107 106 H3* T 10 H3' T 10 -5.708 -5.436 24.339 107 1H2* T 10 1H2' T 10 -3.690 -4.371 25.824 108 2H2* T 10 2H2' T 10 -4.726 -3.337 24.808 109 H1* T 10 H1' T 10 -2.067 -4.625 24.028 110 H3 T 10 H3 T 10 0.294 -0.846 25.080 111 1H5M T 10 1H5M T 10 -3.429 1.876 24.260 112 2H5M T 10 2H5M T 10 -3.513 1.325 22.579 113 3H5M T 10 3H5M T 10 -4.694 0.735 23.772 114 H6 T 10 H6 T 10 -4.112 -1.600 23.324 115 1H5* C 11 1H5' C 11 -1.313 -7.332 25.043 116 2H5* C 11 2H5' C 11 -1.610 -8.676 26.162 117 H4* C 11 H4' C 11 0.603 -7.733 26.520 118 H3* C 11 H3' C 11 -1.291 -8.126 28.610 119 1H2* C 11 1H2' C 11 -0.221 -6.061 30.040 120 2H2* C 11 2H2' C 11 -1.596 -5.816 28.935 121 H1* C 11 H1' C 11 1.374 -5.531 28.253 122 1H4 C 11 1H4 C 11 -1.529 0.532 27.863 123 2H4 C 11 2H4 C 11 0.097 0.766 28.473 124 H5 C 11 H5 C 11 -2.458 -1.711 27.439 125 H6 C 11 H6 C 11 -1.950 -4.073 27.440 126 1H5* A 12 1H5' A 12 3.495 -8.002 29.497 127 2H5* A 12 2H5' A 12 3.731 -9.193 30.791 128 H4* A 12 H4' A 12 5.379 -7.368 30.894 129 H3* A 12 H3' A 12 4.036 -8.356 33.117 130 1H2* A 12 1H2' A 12 3.570 -5.946 34.262 131 2H2* A 12 2H2' A 12 2.404 -6.609 33.096 132 H1* A 12 H1' A 12 4.734 -4.722 32.509 133 H8 A 12 H8 A 12 0.936 -5.309 31.787 134 1H6 A 12 1H6 A 12 0.472 0.852 31.795 135 2H6 A 12 2H6 A 12 -0.357 -0.689 31.594 136 H2 A 12 H2 A 12 4.774 -0.216 32.458 137 1H5* C 13 1H5' C 13 7.774 -5.327 33.649 138 2H5* C 13 2H5' C 13 8.678 -5.961 35.036 139 H4* C 13 H4' C 13 8.955 -3.526 34.777 140 H3* C 13 H3' C 13 8.306 -4.823 37.200 141 1H2* C 13 1H2' C 13 6.943 -2.592 38.070 142 2H2* C 13 2H2' C 13 6.132 -4.007 37.338 143 H1* C 13 H1' C 13 7.048 -1.431 35.987 144 1H4 C 13 1H4 C 13 0.488 -2.290 34.829 145 2H4 C 13 2H4 C 13 0.739 -0.583 35.146 146 H5 C 13 H5 C 13 2.266 -3.953 35.155 147 H6 C 13 H6 C 13 4.642 -4.224 35.518 148 1H5* A 14 1H5' A 14 9.352 -0.139 38.135 149 2H5* A 14 2H5' A 14 10.366 -0.267 39.586 150 H4* A 14 H4' A 14 8.786 1.486 39.951 151 H3* A 14 H3' A 14 8.941 -0.743 41.714 152 1H2* A 14 1H2' A 14 6.299 -0.502 42.357 153 2H2* A 14 2H2' A 14 6.835 -1.578 41.032 154 H1* A 14 H1' A 14 5.979 1.349 40.803 155 H8 A 14 H8 A 14 5.235 -2.256 39.475 156 1H6 A 14 1H6 A 14 -0.231 -0.003 37.732 157 2H6 A 14 2H6 A 14 0.843 -1.397 37.785 158 H2 A 14 H2 A 14 2.086 3.336 39.593 159 1H5* T 15 1H5' T 15 7.799 3.665 43.415 160 2H5* T 15 2H5' T 15 8.288 3.676 45.121 161 H4* T 15 H4' T 15 6.321 5.135 44.624 162 H3* T 15 H3' T 15 6.528 3.551 46.871 163 1H2* T 15 1H2' T 15 4.045 2.480 46.769 164 2H2* T 15 2H2' T 15 5.384 1.714 45.915 165 H1* T 15 H1' T 15 3.438 3.807 44.852 166 H3 T 15 H3 T 15 0.779 1.335 42.139 167 1H5M T 15 1H5M T 15 4.172 -2.115 42.168 168 2H5M T 15 2H5M T 15 4.927 -1.818 43.750 169 3H5M T 15 3H5M T 15 3.274 -2.452 43.656 170 H6 T 15 H6 T 15 5.001 0.457 44.255 171 1H5* G 16 1H5' G 16 2.981 6.956 46.701 172 2H5* G 16 2H5' G 16 2.854 7.491 48.388 173 H4* G 16 H4' G 16 0.724 7.770 47.218 174 H3* G 16 H3' G 16 0.911 6.570 49.725 175 1H2* G 16 1H2' G 16 -0.960 4.663 49.208 176 2H2* G 16 2H2' G 16 0.780 4.342 48.936 177 H1* G 16 H1' G 16 -1.317 5.224 46.909 178 H8 G 16 H8 G 16 2.052 3.297 47.044 179 H1 G 16 H1 G 16 -2.679 0.060 44.173 180 1H2 G 16 1H2 G 16 -4.611 2.887 45.110 181 2H2 G 16 2H2 G 16 -4.653 1.305 44.364 182 H3T G 16 H3T G 16 -0.680 8.096 49.042 183 1H5* C 1 1H5' C 1 -9.972 -5.289 43.020 184 2H5* C 1 2H5' C 1 -8.305 -5.490 42.441 185 H4* C 1 H4' C 1 -9.170 -3.599 44.676 186 H3* C 1 H3' C 1 -9.514 -3.216 41.891 187 1H2* C 1 1H2' C 1 -7.488 -1.395 41.791 188 2H2* C 1 2H2' C 1 -7.195 -3.124 41.444 189 H1* C 1 H1' C 1 -6.976 -1.707 44.150 190 1H4 C 1 1H4 C 1 -0.702 -3.446 42.607 191 2H4 C 1 2H4 C 1 -0.713 -1.764 43.103 192 H5 C 1 H5 C 1 -2.809 -4.770 42.507 193 H6 C 1 H6 C 1 -5.194 -4.672 42.812 194 H5T C 1 H5' C 1 -8.907 -7.049 44.008 195 1H5* A 2 1H5' A 2 -8.612 1.001 44.200 196 2H5* A 2 2H5' A 2 -9.875 2.057 43.543 197 H4* A 2 H4' A 2 -7.850 3.306 43.861 198 H3* A 2 H3' A 2 -9.217 3.290 41.367 199 1H2* A 2 1H2' A 2 -6.886 3.661 39.980 200 2H2* A 2 2H2' A 2 -7.514 2.026 40.333 201 H1* A 2 H1' A 2 -5.557 3.645 42.045 202 H8 A 2 H8 A 2 -6.011 0.384 39.954 203 1H6 A 2 1H6 A 2 -0.015 -0.593 40.865 204 2H6 A 2 2H6 A 2 -1.509 -1.138 40.111 205 H2 A 2 H2 A 2 -1.039 3.386 42.680 206 1H5* T 3 1H5' T 3 -5.791 6.347 42.423 207 2H5* T 3 2H5' T 3 -6.159 7.937 41.731 208 H4* T 3 H4' T 3 -3.771 7.472 41.749 209 H3* T 3 H3' T 3 -5.196 8.286 39.375 210 1H2* T 3 1H2' T 3 -3.154 7.231 37.889 211 2H2* T 3 2H2' T 3 -4.657 6.345 38.237 212 H1* T 3 H1' T 3 -2.078 6.329 39.865 213 H3 T 3 H3 T 3 -0.343 2.269 38.732 214 1H5M T 3 1H5M T 3 -4.640 1.968 36.137 215 2H5M T 3 2H5M T 3 -4.538 0.702 37.374 216 3H5M T 3 3H5M T 3 -5.628 2.082 37.613 217 H6 T 3 H6 T 3 -4.737 4.178 38.348 218 1H5* G 4 1H5' G 4 -0.498 8.943 39.969 219 2H5* G 4 2H5' G 4 -0.052 10.455 39.159 220 H4* G 4 H4' G 4 1.731 8.859 39.012 221 H3* G 4 H3' G 4 0.680 10.146 36.694 222 1H2* G 4 1H2' G 4 1.338 8.038 35.110 223 2H2* G 4 2H2' G 4 -0.259 8.104 35.908 224 H1* G 4 H1' G 4 2.273 6.831 37.051 225 H8 G 4 H8 G 4 -1.438 5.997 36.120 226 H1 G 4 H1 G 4 2.677 1.073 35.837 227 1H2 G 4 1H2 G 4 5.003 3.541 36.833 228 2H2 G 4 2H2 G 4 4.804 1.867 36.349 229 1H5* T 5 1H5' T 5 4.936 7.940 36.812 230 2H5* T 5 2H5' T 5 6.060 8.955 35.890 231 H4* T 5 H4' T 5 6.652 6.565 35.820 232 H3* T 5 H3' T 5 6.366 8.232 33.463 233 1H2* T 5 1H2' T 5 6.228 5.822 32.073 234 2H2* T 5 2H2' T 5 4.824 6.845 32.464 235 H1* T 5 H1' T 5 5.951 4.502 34.068 236 H3 T 5 H3 T 5 2.693 1.622 32.564 237 1H5M T 5 1H5M T 5 0.202 5.838 31.667 238 2H5M T 5 2H5M T 5 -0.540 4.986 33.037 239 3H5M T 5 3H5M T 5 0.396 6.467 33.320 240 H6 T 5 H6 T 5 2.784 6.336 33.467 241 1H5* G 6 1H5' G 6 9.118 4.346 33.243 242 2H5* G 6 2H5' G 6 10.514 4.718 32.215 243 H4* G 6 H4' G 6 9.704 2.473 31.804 244 H3* G 6 H3' G 6 10.083 4.367 29.699 245 1H2* G 6 1H2' G 6 8.163 3.141 28.188 246 2H2* G 6 2H2' G 6 7.760 4.501 29.274 247 H1* G 6 H1' G 6 7.680 1.529 29.979 248 H8 G 6 H8 G 6 5.511 4.787 30.211 249 H1 G 6 H1 G 6 2.240 -0.591 28.923 250 1H2 G 6 1H2 G 6 5.440 -2.072 29.078 251 2H2 G 6 2H2 G 6 3.729 -2.361 28.823 252 1H5* A 7 1H5' A 7 9.873 -0.402 28.921 253 2H5* A 7 2H5' A 7 11.119 -0.713 27.698 254 H4* A 7 H4' A 7 9.308 -2.318 27.502 255 H3* A 7 H3' A 7 10.306 -0.854 25.306 256 1H2* A 7 1H2' A 7 7.877 -0.711 24.091 257 2H2* A 7 2H2' A 7 8.377 0.553 25.249 258 H1* A 7 H1' A 7 6.816 -1.995 25.908 259 H8 A 7 H8 A 7 6.764 1.860 26.579 260 1H6 A 7 1H6 A 7 0.670 1.454 25.722 261 2H6 A 7 2H6 A 7 2.030 2.480 26.170 262 H2 A 7 H2 A 7 2.387 -2.668 25.340 263 1H5* C 8 1H5' C 8 7.786 -4.956 24.700 264 2H5* C 8 2H5' C 8 8.561 -5.765 23.326 265 H4* C 8 H4' C 8 6.170 -6.334 23.547 266 H3* C 8 H3' C 8 7.403 -5.713 21.123 267 1H2* C 8 1H2' C 8 5.336 -4.270 20.148 268 2H2* C 8 2H2' C 8 6.592 -3.468 21.123 269 H1* C 8 H1' C 8 3.977 -4.685 22.128 270 1H4 C 8 1H4 C 8 3.737 2.011 22.786 271 2H4 C 8 2H4 C 8 2.158 1.433 22.265 272 H5 C 8 H5 C 8 5.669 0.452 22.980 273 H6 C 8 H6 C 8 6.320 -1.877 22.845 274 1H5* G 9 1H5' G 9 2.686 -6.769 21.071 275 2H5* G 9 2H5' G 9 2.620 -8.085 19.886 276 H4* G 9 H4' G 9 0.539 -6.946 19.873 277 H3* G 9 H3' G 9 2.081 -7.272 17.496 278 1H2* G 9 1H2' G 9 0.953 -5.041 16.393 279 2H2* G 9 2H2' G 9 2.474 -4.932 17.330 280 H1* G 9 H1' G 9 -0.358 -4.624 18.431 281 H8 G 9 H8 G 9 2.996 -2.772 19.105 282 H1 G 9 H1 G 9 -1.638 0.870 16.547 283 1H2 G 9 1H2 G 9 -3.501 -2.140 16.768 284 2H2 G 9 2H2 G 9 -3.594 -0.413 16.443 285 1H5* T 10 1H5' T 10 -2.645 -6.181 17.203 286 2H5* T 10 2H5' T 10 -3.218 -7.437 16.090 287 H4* T 10 H4' T 10 -4.601 -5.432 15.941 288 H3* T 10 H3' T 10 -3.558 -6.788 13.712 289 1H2* T 10 1H2' T 10 -3.205 -4.505 12.268 290 2H2* T 10 2H2' T 10 -1.901 -5.157 13.294 291 H1* T 10 H1' T 10 -4.012 -3.092 14.077 292 H3 T 10 H3 T 10 -1.225 0.413 13.127 293 1H5M T 10 1H5M T 10 2.567 -2.234 13.926 294 2H5M T 10 2H5M T 10 2.078 -2.442 15.615 295 3H5M T 10 3H5M T 10 1.904 -3.787 14.463 296 H6 T 10 H6 T 10 -0.489 -4.022 14.817 297 1H5* C 11 1H5' C 11 -6.807 -3.278 12.992 298 2H5* C 11 2H5' C 11 -7.947 -3.988 11.833 299 H4* C 11 H4' C 11 -7.784 -1.579 11.524 300 H3* C 11 H3' C 11 -7.475 -3.462 9.404 301 1H2* C 11 1H2' C 11 -5.870 -1.721 8.039 302 2H2* C 11 2H2' C 11 -5.197 -2.961 9.125 303 H1* C 11 H1' C 11 -5.936 -0.084 9.863 304 1H4 C 11 1H4 C 11 0.737 -0.791 10.387 305 2H4 C 11 2H4 C 11 0.426 0.829 9.793 306 H5 C 11 H5 C 11 -1.071 -2.432 10.726 307 H6 C 11 H6 C 11 -3.467 -2.744 10.666 308 1H5* A 12 1H5' A 12 -8.840 1.117 8.596 309 2H5* A 12 2H5' A 12 -10.039 1.002 7.294 310 H4* A 12 H4' A 12 -8.825 3.136 7.237 311 H3* A 12 H3' A 12 -9.303 1.575 4.984 312 1H2* A 12 1H2' A 12 -6.863 1.953 3.869 313 2H2* A 12 2H2' A 12 -7.117 0.610 5.008 314 H1* A 12 H1' A 12 -6.113 3.420 5.667 315 H8 A 12 H8 A 12 -5.411 -0.373 6.316 316 1H6 A 12 1H6 A 12 0.551 1.236 6.448 317 2H6 A 12 2H6 A 12 -0.631 -0.062 6.596 318 H2 A 12 H2 A 12 -1.871 4.949 5.783 319 1H5* C 13 1H5' C 13 -7.696 6.130 4.514 320 2H5* C 13 2H5' C 13 -8.620 6.772 3.142 321 H4* C 13 H4' C 13 -6.434 7.874 3.368 322 H3* C 13 H3' C 13 -7.448 6.827 0.957 323 1H2* C 13 1H2' C 13 -4.926 6.232 0.060 324 2H2* C 13 2H2' C 13 -5.976 5.023 0.844 325 H1* C 13 H1' C 13 -3.821 6.772 2.113 326 1H4 C 13 1H4 C 13 -2.417 0.308 3.326 327 2H4 C 13 2H4 C 13 -0.892 1.126 3.050 328 H5 C 13 H5 C 13 -4.577 1.423 2.994 329 H6 C 13 H6 C 13 -5.633 3.563 2.611 330 1H5* A 14 1H5' A 14 -3.368 9.425 0.351 331 2H5* A 14 2H5' A 14 -3.773 10.461 -1.031 332 H4* A 14 H4' A 14 -1.492 9.761 -1.264 333 H3* A 14 H3' A 14 -3.427 9.274 -3.286 334 1H2* A 14 1H2' A 14 -2.080 7.044 -4.125 335 2H2* A 14 2H2' A 14 -3.426 6.952 -2.951 336 H1* A 14 H1' A 14 -0.441 7.156 -2.350 337 H8 A 14 H8 A 14 -3.707 5.199 -1.466 338 1H6 A 14 1H6 A 14 -0.022 0.629 0.393 339 2H6 A 14 2H6 A 14 -1.669 1.227 0.215 340 H2 A 14 H2 A 14 2.580 3.958 -1.082 341 1H5* T 15 1H5' T 15 1.233 8.995 -4.584 342 2H5* T 15 2H5' T 15 1.340 9.530 -6.273 343 H4* T 15 H4' T 15 2.785 7.589 -5.857 344 H3* T 15 H3' T 15 0.944 7.726 -8.003 345 1H2* T 15 1H2' T 15 0.436 5.047 -7.918 346 2H2* T 15 2H2' T 15 -0.528 6.209 -6.970 347 H1* T 15 H1' T 15 2.044 4.822 -6.073 348 H3 T 15 H3 T 15 0.593 1.486 -3.390 349 1H5M T 15 1H5M T 15 -3.683 4.621 -4.300 350 2H5M T 15 2H5M T 15 -3.812 3.136 -5.273 351 3H5M T 15 3H5M T 15 -3.806 3.042 -3.501 352 H6 T 15 H6 T 15 -1.614 5.225 -5.425 353 1H5* G 16 1H5' G 16 5.214 5.583 -8.415 354 2H5* G 16 2H5' G 16 5.610 5.592 -10.146 355 H4* G 16 H4' G 16 6.718 3.730 -8.979 356 H3* G 16 H3' G 16 5.331 3.381 -11.368 357 1H2* G 16 1H2' G 16 4.208 1.007 -10.645 358 2H2* G 16 2H2' G 16 3.340 2.550 -10.383 359 H1* G 16 H1' G 16 5.029 0.973 -8.407 360 H8 G 16 H8 G 16 2.051 3.498 -8.361 361 H1 G 16 H1 G 16 0.817 -2.101 -5.486 362 1H2 G 16 1H2 G 16 4.150 -2.853 -6.480 363 2H2 G 16 2H2 G 16 2.721 -3.468 -5.681 364 H3T G 16 H3T G 16 7.348 2.421 -10.800 Start of MODEL 7 1 1H5* C 1 1H5' C 1 -1.878 -10.138 -5.605 2 2H5* C 1 2H5' C 1 -0.926 -11.052 -4.421 3 H4* C 1 H4' C 1 0.483 -9.755 -6.011 4 H3* C 1 H3' C 1 0.898 -9.901 -3.251 5 1H2* C 1 1H2' C 1 1.729 -7.312 -3.067 6 2H2* C 1 2H2' C 1 0.018 -7.748 -2.801 7 H1* C 1 H1' C 1 1.357 -6.886 -5.410 8 1H4 C 1 1H4 C 1 -3.035 -2.041 -3.972 9 2H4 C 1 2H4 C 1 -1.488 -1.312 -4.371 10 H5 C 1 H5 C 1 -3.315 -4.522 -3.958 11 H6 C 1 H6 C 1 -2.172 -6.619 -4.269 12 H5T C 1 H5' C 1 -1.364 -9.387 -2.919 13 1H5* A 2 1H5' A 2 4.403 -7.303 -5.464 14 2H5* A 2 2H5' A 2 5.885 -7.995 -4.782 15 H4* A 2 H4' A 2 6.153 -5.634 -5.087 16 H3* A 2 H3' A 2 6.674 -6.871 -2.580 17 1H2* A 2 1H2' A 2 5.978 -4.608 -1.207 18 2H2* A 2 2H2' A 2 4.774 -5.872 -1.591 19 H1* A 2 H1' A 2 5.450 -3.415 -3.288 20 H8 A 2 H8 A 2 2.646 -5.182 -1.232 21 1H6 A 2 1H6 A 2 -0.685 -0.091 -2.111 22 2H6 A 2 2H6 A 2 -0.580 -1.696 -1.392 23 H2 A 2 H2 A 2 3.341 0.566 -3.998 24 1H5* T 3 1H5' T 3 8.017 -2.470 -3.685 25 2H5* T 3 2H5' T 3 9.624 -2.174 -2.998 26 H4* T 3 H4' T 3 8.307 -0.148 -3.070 27 H3* T 3 H3' T 3 9.545 -1.110 -0.648 28 1H2* T 3 1H2' T 3 7.774 0.413 0.775 29 2H2* T 3 2H2' T 3 7.513 -1.317 0.447 30 H1* T 3 H1' T 3 6.590 1.046 -1.243 31 H3 T 3 H3 T 3 2.149 1.205 -0.249 32 1H5M T 3 1H5M T 3 2.189 -3.230 1.256 33 2H5M T 3 2H5M T 3 3.881 -3.740 1.094 34 3H5M T 3 3H5M T 3 3.361 -2.809 2.519 35 H6 T 3 H6 T 3 5.520 -2.170 0.342 36 1H5* G 4 1H5' G 4 8.408 3.493 -1.348 37 2H5* G 4 2H5' G 4 9.642 4.473 -0.538 38 H4* G 4 H4' G 4 7.512 5.558 -0.420 39 H3* G 4 H3' G 4 9.056 5.047 1.924 40 1H2* G 4 1H2' G 4 6.828 4.912 3.474 41 2H2* G 4 2H2' G 4 7.476 3.443 2.692 42 H1* G 4 H1' G 4 5.393 5.339 1.509 43 H8 G 4 H8 G 4 5.953 1.588 2.478 44 H1 G 4 H1 G 4 -0.151 3.585 2.556 45 1H2 G 4 1H2 G 4 1.306 6.656 1.582 46 2H2 G 4 2H2 G 4 -0.188 5.849 2.024 47 1H5* T 5 1H5' T 5 5.446 8.170 1.751 48 2H5* T 5 2H5' T 5 5.952 9.597 2.674 49 H4* T 5 H4' T 5 3.522 9.261 2.717 50 H3* T 5 H3' T 5 5.142 9.593 5.102 51 1H2* T 5 1H2' T 5 2.931 8.574 6.453 52 2H2* T 5 2H2' T 5 4.400 7.641 6.076 53 H1* T 5 H1' T 5 1.833 7.851 4.434 54 H3 T 5 H3 T 5 0.284 3.769 5.882 55 1H5M T 5 1H5M T 5 4.603 1.969 5.501 56 2H5M T 5 2H5M T 5 5.653 3.380 5.268 57 3H5M T 5 3H5M T 5 5.083 2.952 6.898 58 H6 T 5 H6 T 5 4.671 5.554 5.093 59 1H5* G 6 1H5' G 6 0.513 10.744 5.239 60 2H5* G 6 2H5' G 6 0.342 12.181 6.266 61 H4* G 6 H4' G 6 -1.473 10.627 6.649 62 H3* G 6 H3' G 6 0.148 11.636 8.779 63 1H2* G 6 1H2' G 6 -0.372 9.404 10.275 64 2H2* G 6 2H2' G 6 1.068 9.508 9.222 65 H1* G 6 H1' G 6 -1.668 8.389 8.455 66 H8 G 6 H8 G 6 2.151 7.516 8.277 67 H1 G 6 H1 G 6 -1.744 2.544 9.460 68 1H2 G 6 1H2 G 6 -4.250 5.029 9.319 69 2H2 G 6 2H2 G 6 -3.929 3.322 9.555 70 1H5* A 7 1H5' A 7 -4.219 9.716 9.556 71 2H5* A 7 2H5' A 7 -4.960 10.763 10.780 72 H4* A 7 H4' A 7 -5.780 8.501 11.018 73 H3* A 7 H3' A 7 -4.700 9.959 13.187 74 1H2* A 7 1H2' A 7 -3.681 7.726 14.368 75 2H2* A 7 2H2' A 7 -2.704 8.644 13.187 76 H1* A 7 H1' A 7 -4.568 6.299 12.561 77 H8 A 7 H8 A 7 -0.931 7.573 11.864 78 1H6 A 7 1H6 A 7 0.761 1.690 12.634 79 2H6 A 7 2H6 A 7 1.263 3.323 12.202 80 H2 A 7 H2 A 7 -3.693 1.905 13.064 81 1H5* C 8 1H5' C 8 -7.648 6.178 13.838 82 2H5* C 8 2H5' C 8 -8.649 6.617 15.234 83 H4* C 8 H4' C 8 -8.371 4.179 14.990 84 H3* C 8 H3' C 8 -8.144 5.537 17.421 85 1H2* C 8 1H2' C 8 -6.077 4.051 18.337 86 2H2* C 8 2H2' C 8 -5.759 5.514 17.372 87 H1* C 8 H1' C 8 -6.059 2.658 16.338 88 1H4 C 8 1H4 C 8 0.326 4.655 15.593 89 2H4 C 8 2H4 C 8 0.309 2.969 16.099 90 H5 C 8 H5 C 8 -1.789 5.963 15.435 91 H6 C 8 H6 C 8 -4.201 5.806 15.607 92 1H5* G 9 1H5' G 9 -7.592 0.758 17.376 93 2H5* G 9 2H5' G 9 -8.795 0.231 18.565 94 H4* G 9 H4' G 9 -7.035 -1.361 18.502 95 H3* G 9 H3' G 9 -7.816 -0.078 20.929 96 1H2* G 9 1H2' G 9 -5.323 -0.451 21.986 97 2H2* G 9 2H2' G 9 -5.731 1.051 21.102 98 H1* G 9 H1' G 9 -4.527 -1.488 19.905 99 H8 G 9 H8 G 9 -3.885 2.305 19.326 100 H1 G 9 H1 G 9 1.095 -0.951 21.758 101 1H2 G 9 1H2 G 9 -1.131 -3.692 21.455 102 2H2 G 9 2H2 G 9 0.533 -3.223 21.775 103 1H5* T 10 1H5' T 10 -5.250 -4.186 21.037 104 2H5* T 10 2H5' T 10 -6.239 -5.183 22.121 105 H4* T 10 H4' T 10 -3.890 -5.846 22.208 106 H3* T 10 H3' T 10 -5.489 -5.402 24.474 107 1H2* T 10 1H2' T 10 -3.433 -4.386 25.946 108 2H2* T 10 2H2' T 10 -4.485 -3.323 24.976 109 H1* T 10 H1' T 10 -1.850 -4.604 24.112 110 H3 T 10 H3 T 10 0.554 -0.861 25.203 111 1H5M T 10 1H5M T 10 -3.178 1.890 24.509 112 2H5M T 10 2H5M T 10 -3.247 1.404 22.808 113 3H5M T 10 3H5M T 10 -4.441 0.774 23.965 114 H6 T 10 H6 T 10 -3.887 -1.553 23.511 115 1H5* C 11 1H5' C 11 -1.094 -7.356 25.113 116 2H5* C 11 2H5' C 11 -1.410 -8.717 26.208 117 H4* C 11 H4' C 11 0.808 -7.810 26.602 118 H3* C 11 H3' C 11 -1.126 -8.175 28.670 119 1H2* C 11 1H2' C 11 0.019 -6.167 30.129 120 2H2* C 11 2H2' C 11 -1.358 -5.871 29.040 121 H1* C 11 H1' C 11 1.613 -5.641 28.347 122 1H4 C 11 1H4 C 11 -1.160 0.481 27.962 123 2H4 C 11 2H4 C 11 0.473 0.684 28.564 124 H5 C 11 H5 C 11 -2.145 -1.742 27.563 125 H6 C 11 H6 C 11 -1.687 -4.114 27.561 126 1H5* A 12 1H5' A 12 3.633 -8.074 29.654 127 2H5* A 12 2H5' A 12 3.847 -9.270 30.947 128 H4* A 12 H4' A 12 5.462 -7.431 31.130 129 H3* A 12 H3' A 12 3.996 -8.423 33.288 130 1H2* A 12 1H2' A 12 3.554 -5.999 34.422 131 2H2* A 12 2H2' A 12 2.412 -6.638 33.215 132 H1* A 12 H1' A 12 4.812 -4.819 32.696 133 H8 A 12 H8 A 12 1.008 -5.273 31.898 134 1H6 A 12 1H6 A 12 0.772 0.899 31.831 135 2H6 A 12 2H6 A 12 -0.110 -0.613 31.636 136 H2 A 12 H2 A 12 5.014 -0.316 32.614 137 1H5* C 13 1H5' C 13 7.821 -5.546 33.992 138 2H5* C 13 2H5' C 13 8.647 -6.243 35.399 139 H4* C 13 H4' C 13 9.047 -3.823 35.203 140 H3* C 13 H3' C 13 8.238 -5.123 37.572 141 1H2* C 13 1H2' C 13 6.893 -2.879 38.420 142 2H2* C 13 2H2' C 13 6.082 -4.244 37.606 143 H1* C 13 H1' C 13 7.161 -1.669 36.376 144 1H4 C 13 1H4 C 13 0.630 -2.252 34.888 145 2H4 C 13 2H4 C 13 0.944 -0.554 35.193 146 H5 C 13 H5 C 13 2.321 -3.986 35.296 147 H6 C 13 H6 C 13 4.661 -4.358 35.761 148 1H5* A 14 1H5' A 14 9.413 -0.476 38.407 149 2H5* A 14 2H5' A 14 10.416 -0.580 39.868 150 H4* A 14 H4' A 14 8.964 1.309 40.106 151 H3* A 14 H3' A 14 8.963 -0.815 42.009 152 1H2* A 14 1H2' A 14 6.352 -0.291 42.650 153 2H2* A 14 2H2' A 14 6.797 -1.517 41.425 154 H1* A 14 H1' A 14 6.138 1.429 40.935 155 H8 A 14 H8 A 14 5.279 -2.222 39.812 156 1H6 A 14 1H6 A 14 -0.046 0.090 37.749 157 2H6 A 14 2H6 A 14 0.987 -1.326 37.918 158 H2 A 14 H2 A 14 2.294 3.456 39.530 159 1H5* T 15 1H5' T 15 7.361 3.557 43.430 160 2H5* T 15 2H5' T 15 7.744 3.703 45.157 161 H4* T 15 H4' T 15 5.566 4.721 44.603 162 H3* T 15 H3' T 15 5.958 2.962 46.763 163 1H2* T 15 1H2' T 15 3.526 1.771 46.481 164 2H2* T 15 2H2' T 15 4.959 1.154 45.625 165 H1* T 15 H1' T 15 3.002 3.278 44.623 166 H3 T 15 H3 T 15 0.402 1.018 41.694 167 1H5M T 15 1H5M T 15 3.128 -2.764 41.867 168 2H5M T 15 2H5M T 15 4.565 -2.214 42.748 169 3H5M T 15 3H5M T 15 3.139 -2.788 43.641 170 H6 T 15 H6 T 15 4.463 -0.106 43.987 171 1H5* G 16 1H5' G 16 2.640 6.455 46.893 172 2H5* G 16 2H5' G 16 2.419 6.837 48.612 173 H4* G 16 H4' G 16 0.399 7.363 47.314 174 H3* G 16 H3' G 16 0.315 5.931 49.700 175 1H2* G 16 1H2' G 16 -1.597 4.186 48.857 176 2H2* G 16 2H2' G 16 0.141 3.791 48.702 177 H1* G 16 H1' G 16 -1.723 4.959 46.602 178 H8 G 16 H8 G 16 1.547 2.838 46.762 179 H1 G 16 H1 G 16 -3.251 0.056 43.540 180 1H2 G 16 1H2 G 16 -5.015 2.995 44.477 181 2H2 G 16 2H2 G 16 -5.132 1.457 43.655 182 H3T G 16 H3T G 16 -1.873 6.665 48.030 183 1H5* C 1 1H5' C 1 -10.966 -4.610 42.113 184 2H5* C 1 2H5' C 1 -9.301 -4.976 41.613 185 H4* C 1 H4' C 1 -10.087 -2.979 43.786 186 H3* C 1 H3' C 1 -10.257 -2.607 40.983 187 1H2* C 1 1H2' C 1 -8.066 -0.985 40.966 188 2H2* C 1 2H2' C 1 -7.918 -2.740 40.652 189 H1* C 1 H1' C 1 -7.700 -1.311 43.350 190 1H4 C 1 1H4 C 1 -1.548 -3.640 42.148 191 2H4 C 1 2H4 C 1 -1.431 -1.949 42.598 192 H5 C 1 H5 C 1 -3.761 -4.771 41.962 193 H6 C 1 H6 C 1 -6.141 -4.450 42.143 194 H5T C 1 H5' C 1 -8.918 -5.650 43.776 195 1H5* A 2 1H5' A 2 -9.100 1.550 43.292 196 2H5* A 2 2H5' A 2 -10.216 2.710 42.551 197 H4* A 2 H4' A 2 -8.097 3.756 42.979 198 H3* A 2 H3' A 2 -9.320 3.860 40.416 199 1H2* A 2 1H2' A 2 -6.893 3.981 39.154 200 2H2* A 2 2H2' A 2 -7.697 2.417 39.479 201 H1* A 2 H1' A 2 -5.689 3.856 41.288 202 H8 A 2 H8 A 2 -6.331 0.624 39.199 203 1H6 A 2 1H6 A 2 -0.478 -0.841 40.396 204 2H6 A 2 2H6 A 2 -1.990 -1.286 39.609 205 H2 A 2 H2 A 2 -1.266 3.211 42.166 206 1H5* T 3 1H5' T 3 -5.712 6.649 41.738 207 2H5* T 3 2H5' T 3 -5.961 8.262 41.045 208 H4* T 3 H4' T 3 -3.604 7.726 41.242 209 H3* T 3 H3' T 3 -4.805 8.596 38.771 210 1H2* T 3 1H2' T 3 -2.720 7.455 37.424 211 2H2* T 3 2H2' T 3 -4.269 6.618 37.681 212 H1* T 3 H1' T 3 -1.806 6.543 39.477 213 H3 T 3 H3 T 3 -0.112 2.416 38.560 214 1H5M T 3 1H5M T 3 -4.215 0.956 36.840 215 2H5M T 3 2H5M T 3 -5.283 2.365 36.988 216 3H5M T 3 3H5M T 3 -4.179 2.222 35.600 217 H6 T 3 H6 T 3 -4.391 4.453 37.759 218 1H5* G 4 1H5' G 4 -0.110 9.048 39.683 219 2H5* G 4 2H5' G 4 0.430 10.550 38.912 220 H4* G 4 H4' G 4 2.173 8.914 38.834 221 H3* G 4 H3' G 4 1.247 10.217 36.470 222 1H2* G 4 1H2' G 4 1.929 8.092 34.924 223 2H2* G 4 2H2' G 4 0.302 8.197 35.651 224 H1* G 4 H1' G 4 2.749 6.861 36.903 225 H8 G 4 H8 G 4 -0.931 6.147 35.783 226 H1 G 4 H1 G 4 2.954 1.033 35.891 227 1H2 G 4 1H2 G 4 5.330 3.409 36.987 228 2H2 G 4 2H2 G 4 5.076 1.736 36.525 229 1H5* T 5 1H5' T 5 5.404 7.898 36.766 230 2H5* T 5 2H5' T 5 6.610 8.841 35.873 231 H4* T 5 H4' T 5 7.078 6.424 35.857 232 H3* T 5 H3' T 5 6.963 8.064 33.466 233 1H2* T 5 1H2' T 5 6.767 5.634 32.113 234 2H2* T 5 2H2' T 5 5.402 6.735 32.422 235 H1* T 5 H1' T 5 6.343 4.372 34.115 236 H3 T 5 H3 T 5 2.997 1.600 32.619 237 1H5M T 5 1H5M T 5 0.937 6.590 33.034 238 2H5M T 5 2H5M T 5 0.782 5.892 31.404 239 3H5M T 5 3H5M T 5 -0.065 5.149 32.775 240 H6 T 5 H6 T 5 3.309 6.342 33.284 241 1H5* G 6 1H5' G 6 9.542 4.051 33.382 242 2H5* G 6 2H5' G 6 10.979 4.347 32.385 243 H4* G 6 H4' G 6 10.081 2.147 31.959 244 H3* G 6 H3' G 6 10.550 4.027 29.853 245 1H2* G 6 1H2' G 6 8.618 2.841 28.320 246 2H2* G 6 2H2' G 6 8.245 4.228 29.384 247 H1* G 6 H1' G 6 8.050 1.269 30.117 248 H8 G 6 H8 G 6 5.988 4.603 30.268 249 H1 G 6 H1 G 6 2.567 -0.692 29.020 250 1H2 G 6 1H2 G 6 5.724 -2.260 29.229 251 2H2 G 6 2H2 G 6 4.011 -2.507 28.954 252 1H5* A 7 1H5' A 7 10.146 -0.723 29.036 253 2H5* A 7 2H5' A 7 11.388 -1.077 27.821 254 H4* A 7 H4' A 7 9.513 -2.585 27.563 255 H3* A 7 H3' A 7 10.569 -1.087 25.409 256 1H2* A 7 1H2' A 7 8.139 -0.848 24.201 257 2H2* A 7 2H2' A 7 8.679 0.375 25.386 258 H1* A 7 H1' A 7 7.053 -2.144 25.995 259 H8 A 7 H8 A 7 7.086 1.704 26.719 260 1H6 A 7 1H6 A 7 0.986 1.435 25.828 261 2H6 A 7 2H6 A 7 2.362 2.428 26.302 262 H2 A 7 H2 A 7 2.621 -2.714 25.400 263 1H5* C 8 1H5' C 8 7.922 -5.090 24.672 264 2H5* C 8 2H5' C 8 8.688 -5.876 23.279 265 H4* C 8 H4' C 8 6.286 -6.388 23.448 266 H3* C 8 H3' C 8 7.560 -5.673 21.062 267 1H2* C 8 1H2' C 8 5.497 -4.183 20.136 268 2H2* C 8 2H2' C 8 6.759 -3.431 21.144 269 H1* C 8 H1' C 8 4.136 -4.670 22.096 270 1H4 C 8 1H4 C 8 3.921 2.005 22.943 271 2H4 C 8 2H4 C 8 2.341 1.444 22.406 272 H5 C 8 H5 C 8 5.845 0.431 23.118 273 H6 C 8 H6 C 8 6.487 -1.897 22.923 274 1H5* G 9 1H5' G 9 2.879 -6.714 21.013 275 2H5* G 9 2H5' G 9 2.787 -8.001 19.800 276 H4* G 9 H4' G 9 0.701 -6.863 19.874 277 H3* G 9 H3' G 9 2.181 -7.147 17.450 278 1H2* G 9 1H2' G 9 1.014 -4.901 16.419 279 2H2* G 9 2H2' G 9 2.564 -4.806 17.308 280 H1* G 9 H1' G 9 -0.233 -4.514 18.499 281 H8 G 9 H8 G 9 3.139 -2.679 19.124 282 H1 G 9 H1 G 9 -1.547 1.001 16.708 283 1H2 G 9 1H2 G 9 -3.414 -2.002 16.965 284 2H2 G 9 2H2 G 9 -3.511 -0.272 16.658 285 1H5* T 10 1H5' T 10 -2.529 -6.064 17.361 286 2H5* T 10 2H5' T 10 -3.154 -7.312 16.266 287 H4* T 10 H4' T 10 -4.550 -5.307 16.213 288 H3* T 10 H3' T 10 -3.627 -6.650 13.928 289 1H2* T 10 1H2' T 10 -3.341 -4.363 12.475 290 2H2* T 10 2H2' T 10 -1.988 -5.022 13.430 291 H1* T 10 H1' T 10 -4.046 -2.949 14.323 292 H3 T 10 H3 T 10 -1.276 0.540 13.256 293 1H5M T 10 1H5M T 10 2.530 -2.118 13.915 294 2H5M T 10 2H5M T 10 2.095 -2.348 15.616 295 3H5M T 10 3H5M T 10 1.881 -3.676 14.451 296 H6 T 10 H6 T 10 -0.500 -3.904 14.906 297 1H5* C 11 1H5' C 11 -6.870 -3.097 13.317 298 2H5* C 11 2H5' C 11 -8.064 -3.818 12.220 299 H4* C 11 H4' C 11 -7.901 -1.435 11.830 300 H3* C 11 H3' C 11 -7.615 -3.377 9.753 301 1H2* C 11 1H2' C 11 -6.079 -1.634 8.309 302 2H2* C 11 2H2' C 11 -5.360 -2.850 9.392 303 H1* C 11 H1' C 11 -6.101 0.031 10.101 304 1H4 C 11 1H4 C 11 0.589 -0.616 10.475 305 2H4 C 11 2H4 C 11 0.249 0.999 9.885 306 H5 C 11 H5 C 11 -1.196 -2.270 10.869 307 H6 C 11 H6 C 11 -3.589 -2.603 10.872 308 1H5* A 12 1H5' A 12 -9.082 1.149 8.828 309 2H5* A 12 2H5' A 12 -10.275 0.989 7.525 310 H4* A 12 H4' A 12 -9.064 3.125 7.411 311 H3* A 12 H3' A 12 -9.522 1.480 5.201 312 1H2* A 12 1H2' A 12 -7.086 1.889 4.079 313 2H2* A 12 2H2' A 12 -7.318 0.566 5.248 314 H1* A 12 H1' A 12 -6.382 3.412 5.854 315 H8 A 12 H8 A 12 -5.576 -0.352 6.557 316 1H6 A 12 1H6 A 12 0.342 1.412 6.600 317 2H6 A 12 2H6 A 12 -0.805 0.087 6.781 318 H2 A 12 H2 A 12 -2.183 5.053 5.918 319 1H5* C 13 1H5' C 13 -7.965 6.023 4.651 320 2H5* C 13 2H5' C 13 -8.883 6.641 3.264 321 H4* C 13 H4' C 13 -6.703 7.757 3.491 322 H3* C 13 H3' C 13 -7.695 6.644 1.089 323 1H2* C 13 1H2' C 13 -5.133 6.140 0.220 324 2H2* C 13 2H2' C 13 -6.159 4.899 0.988 325 H1* C 13 H1' C 13 -4.081 6.712 2.293 326 1H4 C 13 1H4 C 13 -2.486 0.299 3.520 327 2H4 C 13 2H4 C 13 -0.988 1.157 3.211 328 H5 C 13 H5 C 13 -4.684 1.351 3.204 329 H6 C 13 H6 C 13 -5.802 3.459 2.819 330 1H5* A 14 1H5' A 14 -3.687 9.274 0.299 331 2H5* A 14 2H5' A 14 -4.123 10.236 -1.127 332 H4* A 14 H4' A 14 -1.881 9.468 -1.429 333 H3* A 14 H3' A 14 -3.927 8.833 -3.310 334 1H2* A 14 1H2' A 14 -2.608 6.545 -4.034 335 2H2* A 14 2H2' A 14 -3.888 6.540 -2.784 336 H1* A 14 H1' A 14 -0.879 6.855 -2.342 337 H8 A 14 H8 A 14 -4.028 4.823 -1.207 338 1H6 A 14 1H6 A 14 -0.049 0.474 0.604 339 2H6 A 14 2H6 A 14 -1.731 0.984 0.492 340 H2 A 14 H2 A 14 2.316 3.856 -1.108 341 1H5* T 15 1H5' T 15 0.709 8.845 -4.891 342 2H5* T 15 2H5' T 15 0.629 9.326 -6.599 343 H4* T 15 H4' T 15 2.364 7.617 -6.204 344 H3* T 15 H3' T 15 0.476 7.467 -8.279 345 1H2* T 15 1H2' T 15 0.186 4.766 -8.092 346 2H2* T 15 2H2' T 15 -0.833 5.871 -7.142 347 H1* T 15 H1' T 15 1.866 4.698 -6.315 348 H3 T 15 H3 T 15 0.733 1.395 -3.432 349 1H5M T 15 1H5M T 15 -3.742 4.280 -4.183 350 2H5M T 15 2H5M T 15 -3.843 2.781 -5.133 351 3H5M T 15 3H5M T 15 -3.746 2.708 -3.363 352 H6 T 15 H6 T 15 -1.776 4.928 -5.495 353 1H5* G 16 1H5' G 16 4.874 5.530 -8.728 354 2H5* G 16 2H5' G 16 5.208 5.520 -10.471 355 H4* G 16 H4' G 16 6.447 3.740 -9.316 356 H3* G 16 H3' G 16 4.986 3.279 -11.640 357 1H2* G 16 1H2' G 16 4.023 0.862 -10.835 358 2H2* G 16 2H2' G 16 3.086 2.363 -10.566 359 H1* G 16 H1' G 16 4.926 0.913 -8.627 360 H8 G 16 H8 G 16 1.818 3.271 -8.541 361 H1 G 16 H1 G 16 1.024 -2.271 -5.410 362 1H2 G 16 1H2 G 16 4.342 -2.882 -6.534 363 2H2 G 16 2H2 G 16 2.988 -3.541 -5.646 364 H3T G 16 H3T G 16 6.494 1.390 -10.133 Start of MODEL 8 1 1H5* C 1 1H5' C 1 -1.502 -8.764 -6.906 2 2H5* C 1 2H5' C 1 -0.725 -9.851 -5.742 3 H4* C 1 H4' C 1 0.909 -8.565 -7.111 4 H3* C 1 H3' C 1 1.106 -8.992 -4.368 5 1H2* C 1 1H2' C 1 2.066 -6.501 -3.837 6 2H2* C 1 2H2' C 1 0.316 -6.842 -3.765 7 H1* C 1 H1' C 1 1.941 -5.809 -6.141 8 1H4 C 1 1H4 C 1 -2.281 -0.855 -4.562 9 2H4 C 1 2H4 C 1 -0.669 -0.192 -4.774 10 H5 C 1 H5 C 1 -2.702 -3.301 -4.838 11 H6 C 1 H6 C 1 -1.659 -5.424 -5.281 12 H5T C 1 H5' C 1 -2.461 -8.657 -4.839 13 1H5* A 2 1H5' A 2 4.909 -6.395 -5.999 14 2H5* A 2 2H5' A 2 6.291 -7.255 -5.299 15 H4* A 2 H4' A 2 6.723 -4.904 -5.295 16 H3* A 2 H3' A 2 6.945 -6.447 -2.915 17 1H2* A 2 1H2' A 2 6.276 -4.303 -1.351 18 2H2* A 2 2H2' A 2 5.034 -5.428 -1.971 19 H1* A 2 H1' A 2 6.001 -2.851 -3.316 20 H8 A 2 H8 A 2 2.933 -4.641 -1.708 21 1H6 A 2 1H6 A 2 -0.048 0.691 -2.339 22 2H6 A 2 2H6 A 2 -0.082 -0.972 -1.761 23 H2 A 2 H2 A 2 4.179 1.321 -3.730 24 1H5* T 3 1H5' T 3 8.578 -2.066 -3.366 25 2H5* T 3 2H5' T 3 10.121 -1.899 -2.510 26 H4* T 3 H4' T 3 8.825 0.152 -2.460 27 H3* T 3 H3' T 3 9.862 -1.108 -0.074 28 1H2* T 3 1H2' T 3 8.011 0.309 1.363 29 2H2* T 3 2H2' T 3 7.757 -1.374 0.847 30 H1* T 3 H1' T 3 6.976 1.164 -0.654 31 H3 T 3 H3 T 3 2.476 1.255 0.069 32 1H5M T 3 1H5M T 3 3.489 -3.101 2.374 33 2H5M T 3 2H5M T 3 2.396 -3.331 0.996 34 3H5M T 3 3H5M T 3 4.091 -3.841 0.871 35 H6 T 3 H6 T 3 5.788 -2.208 0.447 36 1H5* G 4 1H5' G 4 8.860 3.544 -0.396 37 2H5* G 4 2H5' G 4 10.039 4.427 0.589 38 H4* G 4 H4' G 4 7.913 5.535 0.625 39 H3* G 4 H3' G 4 9.274 4.826 3.029 40 1H2* G 4 1H2' G 4 6.938 4.600 4.395 41 2H2* G 4 2H2' G 4 7.629 3.186 3.551 42 H1* G 4 H1' G 4 5.654 5.196 2.371 43 H8 G 4 H8 G 4 6.110 1.367 3.054 44 H1 G 4 H1 G 4 0.036 3.454 2.924 45 1H2 G 4 1H2 G 4 1.593 6.573 2.327 46 2H2 G 4 2H2 G 4 0.062 5.758 2.594 47 1H5* T 5 1H5' T 5 5.763 8.065 2.799 48 2H5* T 5 2H5' T 5 6.225 9.406 3.863 49 H4* T 5 H4' T 5 3.782 9.131 3.667 50 H3* T 5 H3' T 5 5.202 9.291 6.190 51 1H2* T 5 1H2' T 5 2.868 8.245 7.291 52 2H2* T 5 2H2' T 5 4.351 7.306 6.989 53 H1* T 5 H1' T 5 1.933 7.649 5.154 54 H3 T 5 H3 T 5 0.251 3.504 6.229 55 1H5M T 5 1H5M T 5 4.573 1.680 6.000 56 2H5M T 5 2H5M T 5 5.649 3.090 5.968 57 3H5M T 5 3H5M T 5 4.950 2.536 7.507 58 H6 T 5 H6 T 5 4.696 5.283 5.874 59 1H5* G 6 1H5' G 6 0.595 10.502 6.048 60 2H5* G 6 2H5' G 6 0.358 11.880 7.140 61 H4* G 6 H4' G 6 -1.487 10.322 7.305 62 H3* G 6 H3' G 6 -0.026 11.199 9.598 63 1H2* G 6 1H2' G 6 -0.625 8.886 10.924 64 2H2* G 6 2H2' G 6 0.875 9.043 9.966 65 H1* G 6 H1' G 6 -1.813 7.988 8.968 66 H8 G 6 H8 G 6 2.004 7.087 9.004 67 H1 G 6 H1 G 6 -1.991 2.091 9.598 68 1H2 G 6 1H2 G 6 -4.469 4.604 9.447 69 2H2 G 6 2H2 G 6 -4.174 2.884 9.605 70 1H5* A 7 1H5' A 7 -4.462 9.288 9.921 71 2H5* A 7 2H5' A 7 -5.283 10.270 11.148 72 H4* A 7 H4' A 7 -6.150 8.006 11.156 73 H3* A 7 H3' A 7 -5.274 9.316 13.498 74 1H2* A 7 1H2' A 7 -4.369 7.017 14.635 75 2H2* A 7 2H2' A 7 -3.287 7.994 13.603 76 H1* A 7 H1' A 7 -5.080 5.693 12.680 77 H8 A 7 H8 A 7 -1.408 7.013 12.359 78 1H6 A 7 1H6 A 7 0.265 1.097 12.873 79 2H6 A 7 2H6 A 7 0.784 2.757 12.594 80 H2 A 7 H2 A 7 -4.213 1.274 12.995 81 1H5* C 8 1H5' C 8 -8.257 5.474 13.722 82 2H5* C 8 2H5' C 8 -9.358 5.849 15.061 83 H4* C 8 H4' C 8 -9.033 3.426 14.758 84 H3* C 8 H3' C 8 -8.975 4.705 17.242 85 1H2* C 8 1H2' C 8 -6.959 3.200 18.238 86 2H2* C 8 2H2' C 8 -6.597 4.701 17.351 87 H1* C 8 H1' C 8 -6.797 1.881 16.194 88 1H4 C 8 1H4 C 8 -0.406 3.972 15.884 89 2H4 C 8 2H4 C 8 -0.419 2.256 16.273 90 H5 C 8 H5 C 8 -2.520 5.268 15.725 91 H6 C 8 H6 C 8 -4.935 5.079 15.750 92 1H5* G 9 1H5' G 9 -8.366 -0.089 17.152 93 2H5* G 9 2H5' G 9 -9.595 -0.647 18.299 94 H4* G 9 H4' G 9 -7.808 -2.187 18.316 95 H3* G 9 H3' G 9 -8.655 -0.874 20.714 96 1H2* G 9 1H2' G 9 -6.185 -1.269 21.826 97 2H2* G 9 2H2' G 9 -6.577 0.240 20.947 98 H1* G 9 H1' G 9 -5.333 -2.284 19.760 99 H8 G 9 H8 G 9 -4.721 1.528 19.247 100 H1 G 9 H1 G 9 0.291 -1.745 21.591 101 1H2 G 9 1H2 G 9 -1.956 -4.477 21.325 102 2H2 G 9 2H2 G 9 -0.292 -4.015 21.655 103 1H5* T 10 1H5' T 10 -6.059 -4.957 20.999 104 2H5* T 10 2H5' T 10 -7.021 -5.933 22.125 105 H4* T 10 H4' T 10 -4.657 -6.495 22.291 106 H3* T 10 H3' T 10 -6.292 -5.902 24.524 107 1H2* T 10 1H2' T 10 -4.191 -4.845 25.919 108 2H2* T 10 2H2' T 10 -5.257 -3.824 24.917 109 H1* T 10 H1' T 10 -2.655 -5.175 24.053 110 H3 T 10 H3 T 10 -0.178 -1.437 24.980 111 1H5M T 10 1H5M T 10 -5.163 0.202 23.555 112 2H5M T 10 2H5M T 10 -4.025 1.258 24.408 113 3H5M T 10 3H5M T 10 -3.817 0.963 22.675 114 H6 T 10 H6 T 10 -4.656 -2.117 23.385 115 1H5* C 11 1H5' C 11 -1.923 -7.831 25.193 116 2H5* C 11 2H5' C 11 -2.215 -9.140 26.354 117 H4* C 11 H4' C 11 0.014 -8.231 26.650 118 H3* C 11 H3' C 11 -1.870 -8.484 28.782 119 1H2* C 11 1H2' C 11 -0.666 -6.424 30.119 120 2H2* C 11 2H2' C 11 -2.070 -6.166 29.056 121 H1* C 11 H1' C 11 0.882 -5.995 28.272 122 1H4 C 11 1H4 C 11 -1.840 0.134 27.701 123 2H4 C 11 2H4 C 11 -0.197 0.342 28.271 124 H5 C 11 H5 C 11 -2.858 -2.095 27.417 125 H6 C 11 H6 C 11 -2.421 -4.472 27.498 126 1H5* A 12 1H5' A 12 2.907 -8.304 29.674 127 2H5* A 12 2H5' A 12 3.151 -9.442 31.013 128 H4* A 12 H4' A 12 4.743 -7.585 31.120 129 H3* A 12 H3' A 12 3.264 -8.479 33.318 130 1H2* A 12 1H2' A 12 2.836 -6.001 34.339 131 2H2* A 12 2H2' A 12 1.693 -6.687 33.157 132 H1* A 12 H1' A 12 4.119 -4.927 32.553 133 H8 A 12 H8 A 12 0.298 -5.335 31.805 134 1H6 A 12 1H6 A 12 0.186 0.828 31.487 135 2H6 A 12 2H6 A 12 -0.724 -0.675 31.364 136 H2 A 12 H2 A 12 4.419 -0.441 32.259 137 1H5* C 13 1H5' C 13 7.164 -5.605 33.983 138 2H5* C 13 2H5' C 13 7.916 -6.289 35.437 139 H4* C 13 H4' C 13 8.405 -3.899 35.214 140 H3* C 13 H3' C 13 7.553 -5.081 37.591 141 1H2* C 13 1H2' C 13 5.947 -3.019 38.325 142 2H2* C 13 2H2' C 13 5.311 -4.352 37.348 143 H1* C 13 H1' C 13 6.493 -1.711 36.352 144 1H4 C 13 1H4 C 13 -0.027 -2.033 34.706 145 2H4 C 13 2H4 C 13 0.369 -0.341 34.937 146 H5 C 13 H5 C 13 1.600 -3.822 35.109 147 H6 C 13 H6 C 13 3.914 -4.287 35.603 148 1H5* A 14 1H5' A 14 9.341 -0.513 37.677 149 2H5* A 14 2H5' A 14 10.464 -0.663 39.042 150 H4* A 14 H4' A 14 9.755 1.635 38.815 151 H3* A 14 H3' A 14 9.704 0.261 41.215 152 1H2* A 14 1H2' A 14 7.345 1.371 42.056 153 2H2* A 14 2H2' A 14 7.409 -0.211 41.236 154 H1* A 14 H1' A 14 6.760 2.516 40.114 155 H8 A 14 H8 A 14 6.017 -1.290 39.694 156 1H6 A 14 1H6 A 14 0.331 0.416 38.009 157 2H6 A 14 2H6 A 14 1.465 -0.909 38.266 158 H2 A 14 H2 A 14 2.681 4.124 38.854 159 1H5* T 15 1H5' T 15 8.192 4.724 41.856 160 2H5* T 15 2H5' T 15 8.773 5.293 43.435 161 H4* T 15 H4' T 15 6.402 5.786 43.179 162 H3* T 15 H3' T 15 7.404 4.318 45.413 163 1H2* T 15 1H2' T 15 5.044 2.963 45.662 164 2H2* T 15 2H2' T 15 6.381 2.339 44.657 165 H1* T 15 H1' T 15 4.172 4.237 43.736 166 H3 T 15 H3 T 15 1.228 1.572 41.586 167 1H5M T 15 1H5M T 15 4.087 -2.114 41.849 168 2H5M T 15 2H5M T 15 5.589 -1.456 42.516 169 3H5M T 15 3H5M T 15 4.263 -1.925 43.605 170 H6 T 15 H6 T 15 5.620 0.816 43.353 171 1H5* G 16 1H5' G 16 4.018 7.677 45.796 172 2H5* G 16 2H5' G 16 4.035 8.217 47.486 173 H4* G 16 H4' G 16 1.827 8.560 46.457 174 H3* G 16 H3' G 16 2.140 7.369 48.952 175 1H2* G 16 1H2' G 16 0.217 5.480 48.562 176 2H2* G 16 2H2' G 16 1.932 5.133 48.184 177 H1* G 16 H1' G 16 -0.270 6.042 46.293 178 H8 G 16 H8 G 16 3.077 4.041 46.122 179 H1 G 16 H1 G 16 -2.055 0.780 44.077 180 1H2 G 16 1H2 G 16 -3.767 3.776 44.932 181 2H2 G 16 2H2 G 16 -3.950 2.146 44.326 182 H3T G 16 H3T G 16 -0.131 7.709 49.120 183 1H5* C 1 1H5' C 1 -9.679 -4.190 44.537 184 2H5* C 1 2H5' C 1 -8.106 -4.585 43.812 185 H4* C 1 H4' C 1 -8.600 -2.350 45.832 186 H3* C 1 H3' C 1 -9.237 -2.332 43.071 187 1H2* C 1 1H2' C 1 -7.144 -0.680 42.504 188 2H2* C 1 2H2' C 1 -6.978 -2.456 42.375 189 H1* C 1 H1' C 1 -6.381 -0.706 44.814 190 1H4 C 1 1H4 C 1 -0.418 -3.044 42.900 191 2H4 C 1 2H4 C 1 -0.299 -1.306 43.108 192 H5 C 1 H5 C 1 -2.586 -4.233 43.213 193 H6 C 1 H6 C 1 -4.918 -3.938 43.744 194 H5T C 1 H5' C 1 -8.602 -5.870 45.642 195 1H5* A 2 1H5' A 2 -7.874 2.083 44.657 196 2H5* A 2 2H5' A 2 -9.144 3.128 43.996 197 H4* A 2 H4' A 2 -7.026 4.260 43.946 198 H3* A 2 H3' A 2 -8.664 4.056 41.633 199 1H2* A 2 1H2' A 2 -6.488 4.093 39.971 200 2H2* A 2 2H2' A 2 -7.164 2.555 40.584 201 H1* A 2 H1' A 2 -4.941 4.224 41.867 202 H8 A 2 H8 A 2 -5.798 0.750 40.302 203 1H6 A 2 1H6 A 2 0.227 -0.449 40.689 204 2H6 A 2 2H6 A 2 -1.373 -1.026 40.226 205 H2 A 2 H2 A 2 -0.415 3.792 42.006 206 1H5* T 3 1H5' T 3 -5.040 7.116 42.064 207 2H5* T 3 2H5' T 3 -5.503 8.633 41.271 208 H4* T 3 H4' T 3 -3.108 8.250 41.131 209 H3* T 3 H3' T 3 -4.729 8.821 38.832 210 1H2* T 3 1H2' T 3 -2.911 7.577 37.243 211 2H2* T 3 2H2' T 3 -4.321 6.717 37.906 212 H1* T 3 H1' T 3 -1.564 6.974 39.185 213 H3 T 3 H3 T 3 0.236 2.848 38.466 214 1H5M T 3 1H5M T 3 -5.101 2.342 37.830 215 2H5M T 3 2H5M T 3 -4.244 2.109 36.287 216 3H5M T 3 3H5M T 3 -3.973 0.985 37.632 217 H6 T 3 H6 T 3 -4.243 4.563 38.171 218 1H5* G 4 1H5' G 4 0.008 9.509 38.999 219 2H5* G 4 2H5' G 4 0.393 10.936 38.021 220 H4* G 4 H4' G 4 2.182 9.293 37.960 221 H3* G 4 H3' G 4 1.075 10.450 35.603 222 1H2* G 4 1H2' G 4 1.621 8.227 34.143 223 2H2* G 4 2H2' G 4 0.061 8.396 34.991 224 H1* G 4 H1' G 4 2.593 7.101 36.122 225 H8 G 4 H8 G 4 -1.195 6.437 35.425 226 H1 G 4 H1 G 4 2.489 1.187 35.527 227 1H2 G 4 1H2 G 4 5.070 3.514 36.127 228 2H2 G 4 2H2 G 4 4.688 1.823 35.854 229 1H5* T 5 1H5' T 5 5.186 8.063 35.739 230 2H5* T 5 2H5' T 5 6.345 8.928 34.714 231 H4* T 5 H4' T 5 6.784 6.513 34.818 232 H3* T 5 H3' T 5 6.526 7.999 32.339 233 1H2* T 5 1H2' T 5 6.214 5.498 31.157 234 2H2* T 5 2H2' T 5 4.878 6.625 31.497 235 H1* T 5 H1' T 5 5.923 4.361 33.262 236 H3 T 5 H3 T 5 2.472 1.536 32.129 237 1H5M T 5 1H5M T 5 0.142 5.757 30.927 238 2H5M T 5 2H5M T 5 -0.557 5.111 32.425 239 3H5M T 5 3H5M T 5 0.467 6.559 32.482 240 H6 T 5 H6 T 5 2.841 6.303 32.570 241 1H5* G 6 1H5' G 6 9.046 3.965 32.466 242 2H5* G 6 2H5' G 6 10.454 4.158 31.404 243 H4* G 6 H4' G 6 9.541 1.920 31.225 244 H3* G 6 H3' G 6 9.986 3.578 28.943 245 1H2* G 6 1H2' G 6 7.993 2.317 27.569 246 2H2* G 6 2H2' G 6 7.666 3.790 28.526 247 H1* G 6 H1' G 6 7.452 0.905 29.510 248 H8 G 6 H8 G 6 5.441 4.272 29.446 249 H1 G 6 H1 G 6 1.898 -1.043 28.748 250 1H2 G 6 1H2 G 6 5.044 -2.641 28.941 251 2H2 G 6 2H2 G 6 3.319 -2.882 28.744 252 1H5* A 7 1H5' A 7 9.489 -1.235 28.543 253 2H5* A 7 2H5' A 7 10.699 -1.698 27.333 254 H4* A 7 H4' A 7 8.802 -3.198 27.232 255 H3* A 7 H3' A 7 9.831 -1.889 24.950 256 1H2* A 7 1H2' A 7 7.385 -1.694 23.773 257 2H2* A 7 2H2' A 7 7.970 -0.396 24.852 258 H1* A 7 H1' A 7 6.307 -2.829 25.676 259 H8 A 7 H8 A 7 6.444 1.060 26.090 260 1H6 A 7 1H6 A 7 0.309 0.874 25.488 261 2H6 A 7 2H6 A 7 1.729 1.863 25.816 262 H2 A 7 H2 A 7 1.837 -3.336 25.297 263 1H5* C 8 1H5' C 8 7.093 -5.891 24.552 264 2H5* C 8 2H5' C 8 7.825 -6.785 23.206 265 H4* C 8 H4' C 8 5.418 -7.241 23.426 266 H3* C 8 H3' C 8 6.680 -6.681 20.992 267 1H2* C 8 1H2' C 8 4.627 -5.222 20.002 268 2H2* C 8 2H2' C 8 5.915 -4.431 20.945 269 H1* C 8 H1' C 8 3.283 -5.560 22.008 270 1H4 C 8 1H4 C 8 3.228 1.152 22.537 271 2H4 C 8 2H4 C 8 1.608 0.610 22.117 272 H5 C 8 H5 C 8 5.122 -0.446 22.684 273 H6 C 8 H6 C 8 5.712 -2.792 22.594 274 1H5* G 9 1H5' G 9 1.952 -7.614 20.925 275 2H5* G 9 2H5' G 9 1.833 -8.912 19.725 276 H4* G 9 H4' G 9 -0.184 -7.700 19.695 277 H3* G 9 H3' G 9 1.392 -7.985 17.325 278 1H2* G 9 1H2' G 9 0.295 -5.706 16.284 279 2H2* G 9 2H2' G 9 1.817 -5.650 17.225 280 H1* G 9 H1' G 9 -1.012 -5.322 18.327 281 H8 G 9 H8 G 9 2.383 -3.544 19.028 282 H1 G 9 H1 G 9 -2.256 0.246 16.703 283 1H2 G 9 1H2 G 9 -4.132 -2.765 16.797 284 2H2 G 9 2H2 G 9 -4.216 -1.029 16.532 285 1H5* T 10 1H5' T 10 -3.316 -6.854 17.034 286 2H5* T 10 2H5' T 10 -3.895 -8.052 15.862 287 H4* T 10 H4' T 10 -5.251 -6.023 15.788 288 H3* T 10 H3' T 10 -4.192 -7.294 13.515 289 1H2* T 10 1H2' T 10 -3.807 -4.952 12.176 290 2H2* T 10 2H2' T 10 -2.519 -5.664 13.181 291 H1* T 10 H1' T 10 -4.617 -3.615 14.040 292 H3 T 10 H3 T 10 -1.798 -0.081 13.323 293 1H5M T 10 1H5M T 10 1.489 -3.091 15.620 294 2H5M T 10 2H5M T 10 1.288 -4.386 14.417 295 3H5M T 10 3H5M T 10 1.965 -2.821 13.937 296 H6 T 10 H6 T 10 -1.103 -4.618 14.735 297 1H5* C 11 1H5' C 11 -7.380 -3.704 12.853 298 2H5* C 11 2H5' C 11 -8.499 -4.359 11.642 299 H4* C 11 H4' C 11 -8.298 -1.960 11.393 300 H3* C 11 H3' C 11 -7.891 -3.786 9.235 301 1H2* C 11 1H2' C 11 -6.248 -1.988 7.992 302 2H2* C 11 2H2' C 11 -5.611 -3.264 9.058 303 H1* C 11 H1' C 11 -6.385 -0.417 9.866 304 1H4 C 11 1H4 C 11 0.268 -1.134 10.600 305 2H4 C 11 2H4 C 11 -0.028 0.507 10.065 306 H5 C 11 H5 C 11 -1.547 -2.791 10.810 307 H6 C 11 H6 C 11 -3.938 -3.103 10.662 308 1H5* A 12 1H5' A 12 -9.281 0.795 8.502 309 2H5* A 12 2H5' A 12 -10.397 0.723 7.125 310 H4* A 12 H4' A 12 -9.188 2.861 7.227 311 H3* A 12 H3' A 12 -9.522 1.382 4.886 312 1H2* A 12 1H2' A 12 -7.025 1.839 3.934 313 2H2* A 12 2H2' A 12 -7.329 0.445 4.998 314 H1* A 12 H1' A 12 -6.411 3.236 5.840 315 H8 A 12 H8 A 12 -5.682 -0.573 6.357 316 1H6 A 12 1H6 A 12 0.244 1.102 6.810 317 2H6 A 12 2H6 A 12 -0.927 -0.213 6.859 318 H2 A 12 H2 A 12 -2.202 4.812 6.196 319 1H5* C 13 1H5' C 13 -7.862 5.917 4.747 320 2H5* C 13 2H5' C 13 -8.682 6.652 3.355 321 H4* C 13 H4' C 13 -6.496 7.695 3.794 322 H3* C 13 H3' C 13 -7.361 6.767 1.260 323 1H2* C 13 1H2' C 13 -4.743 6.316 0.519 324 2H2* C 13 2H2' C 13 -5.830 5.027 1.109 325 H1* C 13 H1' C 13 -3.826 6.693 2.695 326 1H4 C 13 1H4 C 13 -2.406 0.179 3.529 327 2H4 C 13 2H4 C 13 -0.878 1.025 3.364 328 H5 C 13 H5 C 13 -4.565 1.293 3.159 329 H6 C 13 H6 C 13 -5.625 3.445 2.859 330 1H5* A 14 1H5' A 14 -3.308 9.413 0.799 331 2H5* A 14 2H5' A 14 -3.656 10.426 -0.616 332 H4* A 14 H4' A 14 -1.436 9.592 -0.853 333 H3* A 14 H3' A 14 -3.417 9.073 -2.834 334 1H2* A 14 1H2' A 14 -2.183 6.744 -3.546 335 2H2* A 14 2H2' A 14 -3.489 6.764 -2.324 336 H1* A 14 H1' A 14 -0.481 6.989 -1.815 337 H8 A 14 H8 A 14 -3.676 4.929 -0.892 338 1H6 A 14 1H6 A 14 0.233 0.473 0.802 339 2H6 A 14 2H6 A 14 -1.444 0.994 0.664 340 H2 A 14 H2 A 14 2.662 3.956 -0.598 341 1H5* T 15 1H5' T 15 1.226 9.700 -4.086 342 2H5* T 15 2H5' T 15 1.203 10.307 -5.754 343 H4* T 15 H4' T 15 3.230 8.957 -5.213 344 H3* T 15 H3' T 15 1.846 8.761 -7.591 345 1H2* T 15 1H2' T 15 1.765 6.058 -7.715 346 2H2* T 15 2H2' T 15 0.497 6.950 -6.877 347 H1* T 15 H1' T 15 3.078 5.823 -5.705 348 H3 T 15 H3 T 15 1.560 2.227 -3.388 349 1H5M T 15 1H5M T 15 -2.761 5.063 -5.123 350 2H5M T 15 2H5M T 15 -2.763 3.290 -5.084 351 3H5M T 15 3H5M T 15 -2.877 4.202 -3.571 352 H6 T 15 H6 T 15 -0.645 6.016 -5.354 353 1H5* G 16 1H5' G 16 6.312 6.738 -7.284 354 2H5* G 16 2H5' G 16 6.974 6.969 -8.914 355 H4* G 16 H4' G 16 7.955 5.000 -7.844 356 H3* G 16 H3' G 16 6.951 4.942 -10.440 357 1H2* G 16 1H2' G 16 5.848 2.464 -10.208 358 2H2* G 16 2H2' G 16 4.883 3.935 -9.880 359 H1* G 16 H1' G 16 6.335 2.143 -7.890 360 H8 G 16 H8 G 16 3.298 4.564 -8.053 361 H1 G 16 H1 G 16 1.888 -1.229 -5.695 362 1H2 G 16 1H2 G 16 5.299 -1.891 -6.442 363 2H2 G 16 2H2 G 16 3.804 -2.575 -5.845 364 H3T G 16 H3T G 16 8.907 3.971 -9.697 Start of MODEL 9 1 1H5* C 1 1H5' C 1 -1.028 -9.959 -5.419 2 2H5* C 1 2H5' C 1 -0.033 -10.860 -4.261 3 H4* C 1 H4' C 1 1.334 -9.448 -5.769 4 H3* C 1 H3' C 1 1.654 -9.595 -2.982 5 1H2* C 1 1H2' C 1 2.395 -6.980 -2.790 6 2H2* C 1 2H2' C 1 0.690 -7.472 -2.579 7 H1* C 1 H1' C 1 2.079 -6.611 -5.166 8 1H4 C 1 1H4 C 1 -2.387 -1.786 -3.915 9 2H4 C 1 2H4 C 1 -0.840 -1.051 -4.301 10 H5 C 1 H5 C 1 -2.642 -4.268 -3.854 11 H6 C 1 H6 C 1 -1.473 -6.357 -4.100 12 H5T C 1 H5' C 1 -1.448 -8.448 -3.759 13 1H5* A 2 1H5' A 2 5.155 -6.885 -5.080 14 2H5* A 2 2H5' A 2 6.626 -7.547 -4.347 15 H4* A 2 H4' A 2 6.870 -5.189 -4.624 16 H3* A 2 H3' A 2 7.281 -6.418 -2.092 17 1H2* A 2 1H2' A 2 6.480 -4.166 -0.759 18 2H2* A 2 2H2' A 2 5.316 -5.447 -1.205 19 H1* A 2 H1' A 2 6.044 -2.980 -2.868 20 H8 A 2 H8 A 2 3.162 -4.785 -0.960 21 1H6 A 2 1H6 A 2 -0.197 0.247 -2.015 22 2H6 A 2 2H6 A 2 -0.094 -1.345 -1.269 23 H2 A 2 H2 A 2 3.914 0.976 -3.686 24 1H5* T 3 1H5' T 3 8.524 -1.990 -3.086 25 2H5* T 3 2H5' T 3 10.080 -1.624 -2.319 26 H4* T 3 H4' T 3 8.654 0.329 -2.421 27 H3* T 3 H3' T 3 9.834 -0.619 0.042 28 1H2* T 3 1H2' T 3 7.938 0.827 1.391 29 2H2* T 3 2H2' T 3 7.780 -0.914 1.059 30 H1* T 3 H1' T 3 6.794 1.400 -0.663 31 H3 T 3 H3 T 3 2.310 1.275 0.146 32 1H5M T 3 1H5M T 3 3.650 -2.699 2.918 33 2H5M T 3 2H5M T 3 2.557 -3.162 1.600 34 3H5M T 3 3H5M T 3 4.280 -3.572 1.499 35 H6 T 3 H6 T 3 5.854 -1.894 0.845 36 1H5* G 4 1H5' G 4 8.559 3.950 -0.643 37 2H5* G 4 2H5' G 4 9.711 4.963 0.246 38 H4* G 4 H4' G 4 7.538 5.955 0.289 39 H3* G 4 H3' G 4 8.984 5.440 2.696 40 1H2* G 4 1H2' G 4 6.689 5.174 4.127 41 2H2* G 4 2H2' G 4 7.433 3.753 3.339 42 H1* G 4 H1' G 4 5.341 5.604 2.104 43 H8 G 4 H8 G 4 5.974 1.853 3.033 44 H1 G 4 H1 G 4 -0.184 3.677 2.847 45 1H2 G 4 1H2 G 4 1.238 6.796 1.973 46 2H2 G 4 2H2 G 4 -0.254 5.948 2.335 47 1H5* T 5 1H5' T 5 5.290 8.462 2.394 48 2H5* T 5 2H5' T 5 5.705 9.879 3.376 49 H4* T 5 H4' T 5 3.283 9.480 3.276 50 H3* T 5 H3' T 5 4.768 9.791 5.751 51 1H2* T 5 1H2' T 5 2.503 8.693 6.952 52 2H2* T 5 2H2' T 5 4.020 7.809 6.649 53 H1* T 5 H1' T 5 1.547 7.975 4.865 54 H3 T 5 H3 T 5 0.064 3.829 6.186 55 1H5M T 5 1H5M T 5 5.470 3.616 5.833 56 2H5M T 5 2H5M T 5 4.816 3.125 7.414 57 3H5M T 5 3H5M T 5 4.453 2.167 5.965 58 H6 T 5 H6 T 5 4.423 5.755 5.618 59 1H5* G 6 1H5' G 6 0.101 10.862 5.761 60 2H5* G 6 2H5' G 6 -0.116 12.263 6.829 61 H4* G 6 H4' G 6 -1.905 10.669 7.136 62 H3* G 6 H3' G 6 -0.331 11.626 9.325 63 1H2* G 6 1H2' G 6 -0.838 9.334 10.734 64 2H2* G 6 2H2' G 6 0.616 9.498 9.707 65 H1* G 6 H1' G 6 -2.092 8.369 8.860 66 H8 G 6 H8 G 6 1.743 7.547 8.737 67 H1 G 6 H1 G 6 -2.126 2.494 9.632 68 1H2 G 6 1H2 G 6 -4.655 4.958 9.508 69 2H2 G 6 2H2 G 6 -4.324 3.248 9.697 70 1H5* A 7 1H5' A 7 -4.697 9.640 9.962 71 2H5* A 7 2H5' A 7 -5.461 10.635 11.215 72 H4* A 7 H4' A 7 -6.272 8.359 11.346 73 H3* A 7 H3' A 7 -5.246 9.738 13.590 74 1H2* A 7 1H2' A 7 -4.229 7.471 14.703 75 2H2* A 7 2H2' A 7 -3.239 8.441 13.576 76 H1* A 7 H1' A 7 -5.067 6.105 12.828 77 H8 A 7 H8 A 7 -1.434 7.442 12.239 78 1H6 A 7 1H6 A 7 0.312 1.551 12.804 79 2H6 A 7 2H6 A 7 0.802 3.206 12.451 80 H2 A 7 H2 A 7 -4.153 1.700 13.160 81 1H5* C 8 1H5' C 8 -8.130 5.874 14.060 82 2H5* C 8 2H5' C 8 -9.160 6.246 15.455 83 H4* C 8 H4' C 8 -8.818 3.826 15.151 84 H3* C 8 H3' C 8 -8.629 5.127 17.622 85 1H2* C 8 1H2' C 8 -6.550 3.633 18.506 86 2H2* C 8 2H2' C 8 -6.247 5.133 17.592 87 H1* C 8 H1' C 8 -6.504 2.308 16.461 88 1H4 C 8 1H4 C 8 -0.138 4.398 15.816 89 2H4 C 8 2H4 C 8 -0.136 2.688 16.232 90 H5 C 8 H5 C 8 -2.264 5.692 15.726 91 H6 C 8 H6 C 8 -4.673 5.503 15.879 92 1H5* G 9 1H5' G 9 -7.995 0.373 17.428 93 2H5* G 9 2H5' G 9 -9.176 -0.224 18.606 94 H4* G 9 H4' G 9 -7.382 -1.766 18.483 95 H3* G 9 H3' G 9 -8.159 -0.566 20.958 96 1H2* G 9 1H2' G 9 -5.650 -0.964 21.975 97 2H2* G 9 2H2' G 9 -6.086 0.570 21.162 98 H1* G 9 H1' G 9 -4.858 -1.896 19.847 99 H8 G 9 H8 G 9 -4.291 1.930 19.417 100 H1 G 9 H1 G 9 0.801 -1.352 21.572 101 1H2 G 9 1H2 G 9 -1.419 -4.100 21.263 102 2H2 G 9 2H2 G 9 0.249 -3.630 21.560 103 1H5* T 10 1H5' T 10 -5.499 -4.608 20.946 104 2H5* T 10 2H5' T 10 -6.444 -5.659 22.018 105 H4* T 10 H4' T 10 -4.081 -6.242 22.103 106 H3* T 10 H3' T 10 -5.676 -5.811 24.390 107 1H2* T 10 1H2' T 10 -3.589 -4.802 25.829 108 2H2* T 10 2H2' T 10 -4.672 -3.738 24.892 109 H1* T 10 H1' T 10 -2.051 -4.995 23.949 110 H3 T 10 H3 T 10 0.386 -1.255 24.975 111 1H5M T 10 1H5M T 10 -3.449 1.442 24.556 112 2H5M T 10 2H5M T 10 -3.435 1.100 22.819 113 3H5M T 10 3H5M T 10 -4.669 0.359 23.864 114 H6 T 10 H6 T 10 -4.121 -1.946 23.466 115 1H5* C 11 1H5' C 11 -1.266 -7.733 24.973 116 2H5* C 11 2H5' C 11 -1.548 -9.084 26.088 117 H4* C 11 H4' C 11 0.655 -8.152 26.443 118 H3* C 11 H3' C 11 -1.253 -8.482 28.546 119 1H2* C 11 1H2' C 11 -0.066 -6.459 29.956 120 2H2* C 11 2H2' C 11 -1.468 -6.176 28.895 121 H1* C 11 H1' C 11 1.486 -5.961 28.134 122 1H4 C 11 1H4 C 11 -1.266 0.171 27.776 123 2H4 C 11 2H4 C 11 0.383 0.364 28.335 124 H5 C 11 H5 C 11 -2.274 -2.053 27.411 125 H6 C 11 H6 C 11 -1.827 -4.428 27.408 126 1H5* A 12 1H5' A 12 3.514 -8.375 29.456 127 2H5* A 12 2H5' A 12 3.752 -9.542 30.772 128 H4* A 12 H4' A 12 5.365 -7.697 30.889 129 H3* A 12 H3' A 12 3.918 -8.633 33.094 130 1H2* A 12 1H2' A 12 3.534 -6.172 34.178 131 2H2* A 12 2H2' A 12 2.360 -6.832 33.010 132 H1* A 12 H1' A 12 4.770 -5.058 32.390 133 H8 A 12 H8 A 12 0.943 -5.481 31.686 134 1H6 A 12 1H6 A 12 0.778 0.694 31.534 135 2H6 A 12 2H6 A 12 -0.126 -0.808 31.372 136 H2 A 12 H2 A 12 5.017 -0.561 32.259 137 1H5* C 13 1H5' C 13 7.740 -5.740 33.644 138 2H5* C 13 2H5' C 13 8.594 -6.361 35.070 139 H4* C 13 H4' C 13 8.943 -3.940 34.752 140 H3* C 13 H3' C 13 8.162 -5.156 37.195 141 1H2* C 13 1H2' C 13 6.915 -2.811 37.957 142 2H2* C 13 2H2' C 13 6.044 -4.207 37.259 143 H1* C 13 H1' C 13 7.144 -1.752 35.821 144 1H4 C 13 1H4 C 13 0.549 -2.205 34.633 145 2H4 C 13 2H4 C 13 0.916 -0.509 34.896 146 H5 C 13 H5 C 13 2.213 -3.977 35.011 147 H6 C 13 H6 C 13 4.563 -4.394 35.400 148 1H5* A 14 1H5' A 14 9.417 -0.540 38.154 149 2H5* A 14 2H5' A 14 10.357 -0.727 39.647 150 H4* A 14 H4' A 14 8.842 1.059 39.997 151 H3* A 14 H3' A 14 8.765 -1.235 41.684 152 1H2* A 14 1H2' A 14 6.101 -0.879 42.169 153 2H2* A 14 2H2' A 14 6.663 -1.927 40.831 154 H1* A 14 H1' A 14 5.994 1.053 40.681 155 H8 A 14 H8 A 14 5.053 -2.450 39.222 156 1H6 A 14 1H6 A 14 -0.182 0.256 37.395 157 2H6 A 14 2H6 A 14 0.764 -1.229 37.471 158 H2 A 14 H2 A 14 2.387 3.389 39.275 159 1H5* T 15 1H5' T 15 7.866 3.180 43.447 160 2H5* T 15 2H5' T 15 8.274 3.109 45.173 161 H4* T 15 H4' T 15 6.478 4.757 44.645 162 H3* T 15 H3' T 15 6.415 3.070 46.829 163 1H2* T 15 1H2' T 15 3.840 2.277 46.565 164 2H2* T 15 2H2' T 15 5.132 1.402 45.743 165 H1* T 15 H1' T 15 3.479 3.733 44.675 166 H3 T 15 H3 T 15 0.686 1.625 41.784 167 1H5M T 15 1H5M T 15 3.806 -2.117 41.795 168 2H5M T 15 2H5M T 15 4.417 -1.978 43.460 169 3H5M T 15 3H5M T 15 2.731 -2.440 43.162 170 H6 T 15 H6 T 15 4.734 0.271 43.991 171 1H5* G 16 1H5' G 16 3.264 6.852 46.685 172 2H5* G 16 2H5' G 16 3.131 7.318 48.392 173 H4* G 16 H4' G 16 1.085 7.879 47.177 174 H3* G 16 H3' G 16 1.054 6.528 49.614 175 1H2* G 16 1H2' G 16 -0.996 4.874 48.923 176 2H2* G 16 2H2' G 16 0.708 4.377 48.697 177 H1* G 16 H1' G 16 -1.193 5.588 46.649 178 H8 G 16 H8 G 16 1.935 3.288 46.801 179 H1 G 16 H1 G 16 -3.024 0.750 43.623 180 1H2 G 16 1H2 G 16 -4.633 3.765 44.598 181 2H2 G 16 2H2 G 16 -4.836 2.235 43.778 182 H3T G 16 H3T G 16 -1.177 7.334 48.037 183 1H5* C 1 1H5' C 1 -9.577 -4.489 43.407 184 2H5* C 1 2H5' C 1 -10.669 -3.841 42.171 185 H4* C 1 H4' C 1 -10.007 -2.147 43.874 186 H3* C 1 H3' C 1 -10.140 -1.699 41.130 187 1H2* C 1 1H2' C 1 -7.924 -0.123 41.066 188 2H2* C 1 2H2' C 1 -7.804 -1.882 40.783 189 H1* C 1 H1' C 1 -7.512 -0.376 43.428 190 1H4 C 1 1H4 C 1 -1.487 -3.028 42.190 191 2H4 C 1 2H4 C 1 -1.290 -1.341 42.637 192 H5 C 1 H5 C 1 -3.756 -4.062 42.068 193 H6 C 1 H6 C 1 -6.113 -3.632 42.295 194 H5T C 1 H5' C 1 -8.981 -5.118 41.296 195 1H5* A 2 1H5' A 2 -8.784 2.379 43.471 196 2H5* A 2 2H5' A 2 -9.883 3.587 42.784 197 H4* A 2 H4' A 2 -7.741 4.577 43.145 198 H3* A 2 H3' A 2 -9.000 4.695 40.599 199 1H2* A 2 1H2' A 2 -6.593 4.747 39.299 200 2H2* A 2 2H2' A 2 -7.424 3.206 39.656 201 H1* A 2 H1' A 2 -5.357 4.617 41.422 202 H8 A 2 H8 A 2 -6.087 1.412 39.329 203 1H6 A 2 1H6 A 2 -0.261 -0.196 40.429 204 2H6 A 2 2H6 A 2 -1.790 -0.587 39.647 205 H2 A 2 H2 A 2 -0.923 3.860 42.245 206 1H5* T 3 1H5' T 3 -5.222 7.269 41.735 207 2H5* T 3 2H5' T 3 -5.372 8.889 41.031 208 H4* T 3 H4' T 3 -3.070 8.162 41.101 209 H3* T 3 H3' T 3 -4.347 9.050 38.661 210 1H2* T 3 1H2' T 3 -2.341 7.781 37.283 211 2H2* T 3 2H2' T 3 -3.940 7.058 37.571 212 H1* T 3 H1' T 3 -1.447 6.810 39.307 213 H3 T 3 H3 T 3 -0.110 2.554 38.372 214 1H5M T 3 1H5M T 3 -4.366 1.423 36.792 215 2H5M T 3 2H5M T 3 -5.305 2.923 36.915 216 3H5M T 3 3H5M T 3 -4.238 2.648 35.516 217 H6 T 3 H6 T 3 -4.238 4.917 37.682 218 1H5* G 4 1H5' G 4 0.365 9.264 39.366 219 2H5* G 4 2H5' G 4 0.972 10.711 38.540 220 H4* G 4 H4' G 4 2.595 8.972 38.425 221 H3* G 4 H3' G 4 1.636 10.250 36.055 222 1H2* G 4 1H2' G 4 2.147 8.035 34.559 223 2H2* G 4 2H2' G 4 0.555 8.259 35.337 224 H1* G 4 H1' G 4 2.970 6.837 36.549 225 H8 G 4 H8 G 4 -0.784 6.254 35.593 226 H1 G 4 H1 G 4 2.955 1.029 35.573 227 1H2 G 4 1H2 G 4 5.437 3.358 36.531 228 2H2 G 4 2H2 G 4 5.126 1.687 36.098 229 1H5* T 5 1H5' T 5 5.671 7.716 36.273 230 2H5* T 5 2H5' T 5 6.884 8.598 35.328 231 H4* T 5 H4' T 5 7.283 6.179 35.340 232 H3* T 5 H3' T 5 7.108 7.767 32.917 233 1H2* T 5 1H2' T 5 6.795 5.318 31.626 234 2H2* T 5 2H2' T 5 5.467 6.452 31.976 235 H1* T 5 H1' T 5 6.434 4.107 33.677 236 H3 T 5 H3 T 5 3.024 1.378 32.252 237 1H5M T 5 1H5M T 5 1.022 6.388 32.778 238 2H5M T 5 2H5M T 5 0.780 5.670 31.168 239 3H5M T 5 3H5M T 5 -0.005 4.953 32.589 240 H6 T 5 H6 T 5 3.384 6.108 32.989 241 1H5* G 6 1H5' G 6 9.626 3.691 32.812 242 2H5* G 6 2H5' G 6 11.032 3.968 31.767 243 H4* G 6 H4' G 6 10.111 1.763 31.399 244 H3* G 6 H3' G 6 10.544 3.608 29.260 245 1H2* G 6 1H2' G 6 8.552 2.437 27.792 246 2H2* G 6 2H2' G 6 8.226 3.837 28.854 247 H1* G 6 H1' G 6 8.021 0.888 29.619 248 H8 G 6 H8 G 6 5.998 4.244 29.805 249 H1 G 6 H1 G 6 2.487 -1.031 28.738 250 1H2 G 6 1H2 G 6 5.640 -2.623 28.849 251 2H2 G 6 2H2 G 6 3.917 -2.861 28.635 252 1H5* A 7 1H5' A 7 10.094 -1.160 28.495 253 2H5* A 7 2H5' A 7 11.292 -1.522 27.239 254 H4* A 7 H4' A 7 9.401 -3.024 27.054 255 H3* A 7 H3' A 7 10.400 -1.548 24.860 256 1H2* A 7 1H2' A 7 7.938 -1.294 23.724 257 2H2* A 7 2H2' A 7 8.524 -0.069 24.886 258 H1* A 7 H1' A 7 6.896 -2.572 25.556 259 H8 A 7 H8 A 7 6.980 1.284 26.242 260 1H6 A 7 1H6 A 7 0.844 1.039 25.594 261 2H6 A 7 2H6 A 7 2.245 2.033 25.987 262 H2 A 7 H2 A 7 2.440 -3.123 25.158 263 1H5* C 8 1H5' C 8 7.721 -5.551 24.228 264 2H5* C 8 2H5' C 8 8.430 -6.343 22.809 265 H4* C 8 H4' C 8 6.031 -6.839 23.071 266 H3* C 8 H3' C 8 7.225 -6.146 20.638 267 1H2* C 8 1H2' C 8 5.144 -4.648 19.777 268 2H2* C 8 2H2' C 8 6.443 -3.897 20.737 269 H1* C 8 H1' C 8 3.849 -5.116 21.791 270 1H4 C 8 1H4 C 8 3.691 1.560 22.645 271 2H4 C 8 2H4 C 8 2.083 1.009 22.189 272 H5 C 8 H5 C 8 5.615 -0.016 22.714 273 H6 C 8 H6 C 8 6.242 -2.346 22.502 274 1H5* G 9 1H5' G 9 2.521 -7.172 20.712 275 2H5* G 9 2H5' G 9 2.390 -8.441 19.483 276 H4* G 9 H4' G 9 0.322 -7.284 19.615 277 H3* G 9 H3' G 9 1.748 -7.535 17.154 278 1H2* G 9 1H2' G 9 0.567 -5.267 16.187 279 2H2* G 9 2H2' G 9 2.138 -5.195 17.041 280 H1* G 9 H1' G 9 -0.627 -4.907 18.305 281 H8 G 9 H8 G 9 2.776 -3.105 18.865 282 H1 G 9 H1 G 9 -1.975 0.669 16.747 283 1H2 G 9 1H2 G 9 -3.832 -2.349 16.914 284 2H2 G 9 2H2 G 9 -3.938 -0.609 16.677 285 1H5* T 10 1H5' T 10 -2.970 -6.414 17.148 286 2H5* T 10 2H5' T 10 -3.616 -7.625 16.024 287 H4* T 10 H4' T 10 -4.981 -5.604 16.011 288 H3* T 10 H3' T 10 -4.046 -6.886 13.689 289 1H2* T 10 1H2' T 10 -3.760 -4.550 12.313 290 2H2* T 10 2H2' T 10 -2.409 -5.246 13.245 291 H1* T 10 H1' T 10 -4.468 -3.206 14.213 292 H3 T 10 H3 T 10 -1.722 0.356 13.357 293 1H5M T 10 1H5M T 10 1.458 -3.919 14.280 294 2H5M T 10 2H5M T 10 2.093 -2.342 13.781 295 3H5M T 10 3H5M T 10 1.700 -2.631 15.483 296 H6 T 10 H6 T 10 -0.913 -4.180 14.711 297 1H5* C 11 1H5' C 11 -7.301 -3.320 13.174 298 2H5* C 11 2H5' C 11 -8.477 -4.006 12.037 299 H4* C 11 H4' C 11 -8.320 -1.613 11.727 300 H3* C 11 H3' C 11 -7.971 -3.486 9.592 301 1H2* C 11 1H2' C 11 -6.454 -1.656 8.236 302 2H2* C 11 2H2' C 11 -5.729 -2.911 9.269 303 H1* C 11 H1' C 11 -6.503 -0.069 10.092 304 1H4 C 11 1H4 C 11 0.185 -0.687 10.548 305 2H4 C 11 2H4 C 11 -0.156 0.951 10.031 306 H5 C 11 H5 C 11 -1.595 -2.370 10.834 307 H6 C 11 H6 C 11 -3.985 -2.720 10.784 308 1H5* A 12 1H5' A 12 -9.409 1.071 8.693 309 2H5* A 12 2H5' A 12 -10.545 0.937 7.337 310 H4* A 12 H4' A 12 -9.286 3.043 7.270 311 H3* A 12 H3' A 12 -9.644 1.376 5.044 312 1H2* A 12 1H2' A 12 -7.152 1.812 4.048 313 2H2* A 12 2H2' A 12 -7.439 0.481 5.200 314 H1* A 12 H1' A 12 -6.575 3.336 5.874 315 H8 A 12 H8 A 12 -5.717 -0.423 6.552 316 1H6 A 12 1H6 A 12 0.150 1.474 6.877 317 2H6 A 12 2H6 A 12 -0.970 0.120 6.988 318 H2 A 12 H2 A 12 -2.428 5.066 6.130 319 1H5* C 13 1H5' C 13 -8.184 5.957 4.565 320 2H5* C 13 2H5' C 13 -9.018 6.553 3.117 321 H4* C 13 H4' C 13 -6.877 7.715 3.508 322 H3* C 13 H3' C 13 -7.683 6.605 1.036 323 1H2* C 13 1H2' C 13 -5.051 6.164 0.338 324 2H2* C 13 2H2' C 13 -6.107 4.894 1.020 325 H1* C 13 H1' C 13 -4.166 6.734 2.487 326 1H4 C 13 1H4 C 13 -2.484 0.347 3.717 327 2H4 C 13 2H4 C 13 -0.992 1.244 3.489 328 H5 C 13 H5 C 13 -4.688 1.345 3.278 329 H6 C 13 H6 C 13 -5.838 3.432 2.876 330 1H5* A 14 1H5' A 14 -3.674 9.295 0.179 331 2H5* A 14 2H5' A 14 -4.128 10.115 -1.329 332 H4* A 14 H4' A 14 -1.935 9.257 -1.624 333 H3* A 14 H3' A 14 -4.045 8.448 -3.359 334 1H2* A 14 1H2' A 14 -2.840 6.041 -3.818 335 2H2* A 14 2H2' A 14 -4.046 6.236 -2.509 336 H1* A 14 H1' A 14 -1.013 6.558 -2.288 337 H8 A 14 H8 A 14 -4.062 4.537 -0.913 338 1H6 A 14 1H6 A 14 0.136 0.452 1.025 339 2H6 A 14 2H6 A 14 -1.571 0.870 0.910 340 H2 A 14 H2 A 14 2.323 3.897 -0.792 341 1H5* T 15 1H5' T 15 0.465 9.022 -5.046 342 2H5* T 15 2H5' T 15 0.291 9.376 -6.777 343 H4* T 15 H4' T 15 2.423 8.210 -6.208 344 H3* T 15 H3' T 15 0.883 7.606 -8.418 345 1H2* T 15 1H2' T 15 0.954 4.911 -8.146 346 2H2* T 15 2H2' T 15 -0.305 5.857 -7.354 347 H1* T 15 H1' T 15 2.409 5.036 -6.229 348 H3 T 15 H3 T 15 1.252 1.742 -3.331 349 1H5M T 15 1H5M T 15 -3.293 3.438 -3.458 350 2H5M T 15 2H5M T 15 -3.325 4.115 -5.102 351 3H5M T 15 3H5M T 15 -3.221 2.362 -4.860 352 H6 T 15 H6 T 15 -1.286 5.114 -5.627 353 1H5* G 16 1H5' G 16 5.492 5.935 -8.220 354 2H5* G 16 2H5' G 16 6.007 5.948 -9.918 355 H4* G 16 H4' G 16 7.212 4.234 -8.652 356 H3* G 16 H3' G 16 6.011 3.710 -11.109 357 1H2* G 16 1H2' G 16 5.133 1.229 -10.405 358 2H2* G 16 2H2' G 16 4.082 2.667 -10.229 359 H1* G 16 H1' G 16 5.802 1.313 -8.114 360 H8 G 16 H8 G 16 2.601 3.503 -8.374 361 H1 G 16 H1 G 16 1.743 -2.004 -5.204 362 1H2 G 16 1H2 G 16 5.149 -2.536 -6.067 363 2H2 G 16 2H2 G 16 3.740 -3.231 -5.298 364 H3T G 16 H3T G 16 7.489 1.912 -9.467 Start of MODEL 10 1 1H5* C 1 1H5' C 1 -1.279 -10.009 -5.766 2 2H5* C 1 2H5' C 1 -0.241 -10.927 -4.660 3 H4* C 1 H4' C 1 1.060 -9.426 -6.142 4 H3* C 1 H3' C 1 1.439 -9.671 -3.367 5 1H2* C 1 1H2' C 1 2.141 -7.051 -3.102 6 2H2* C 1 2H2' C 1 0.450 -7.580 -2.867 7 H1* C 1 H1' C 1 1.761 -6.609 -5.456 8 1H4 C 1 1H4 C 1 -2.746 -1.895 -3.974 9 2H4 C 1 2H4 C 1 -1.217 -1.122 -4.356 10 H5 C 1 H5 C 1 -2.963 -4.381 -3.971 11 H6 C 1 H6 C 1 -1.767 -6.445 -4.296 12 H5T C 1 H5' C 1 -1.703 -8.568 -4.045 13 1H5* A 2 1H5' A 2 4.860 -6.848 -5.453 14 2H5* A 2 2H5' A 2 6.356 -7.508 -4.770 15 H4* A 2 H4' A 2 6.554 -5.138 -4.985 16 H3* A 2 H3' A 2 7.048 -6.431 -2.502 17 1H2* A 2 1H2' A 2 6.241 -4.234 -1.083 18 2H2* A 2 2H2' A 2 5.087 -5.523 -1.538 19 H1* A 2 H1' A 2 5.735 -2.998 -3.143 20 H8 A 2 H8 A 2 2.920 -4.901 -1.228 21 1H6 A 2 1H6 A 2 -0.519 0.126 -2.076 22 2H6 A 2 2H6 A 2 -0.397 -1.495 -1.397 23 H2 A 2 H2 A 2 3.547 0.941 -3.805 24 1H5* T 3 1H5' T 3 8.294 -1.963 -3.458 25 2H5* T 3 2H5' T 3 9.871 -1.640 -2.716 26 H4* T 3 H4' T 3 8.497 0.349 -2.786 27 H3* T 3 H3' T 3 9.697 -0.630 -0.350 28 1H2* T 3 1H2' T 3 7.847 0.820 1.051 29 2H2* T 3 2H2' T 3 7.644 -0.910 0.687 30 H1* T 3 H1' T 3 6.697 1.457 -0.985 31 H3 T 3 H3 T 3 2.230 1.465 -0.102 32 1H5M T 3 1H5M T 3 3.493 -2.582 2.601 33 2H5M T 3 2H5M T 3 2.357 -2.999 1.304 34 3H5M T 3 3H5M T 3 4.063 -3.462 1.162 35 H6 T 3 H6 T 3 5.681 -1.825 0.501 36 1H5* G 4 1H5' G 4 8.444 3.938 -1.012 37 2H5* G 4 2H5' G 4 9.630 4.946 -0.163 38 H4* G 4 H4' G 4 7.468 5.971 -0.085 39 H3* G 4 H3' G 4 8.969 5.474 2.290 40 1H2* G 4 1H2' G 4 6.712 5.253 3.783 41 2H2* G 4 2H2' G 4 7.420 3.814 2.998 42 H1* G 4 H1' G 4 5.310 5.666 1.791 43 H8 G 4 H8 G 4 5.956 1.921 2.728 44 H1 G 4 H1 G 4 -0.206 3.733 2.669 45 1H2 G 4 1H2 G 4 1.182 6.859 1.772 46 2H2 G 4 2H2 G 4 -0.297 6.003 2.173 47 1H5* T 5 1H5' T 5 5.267 8.488 2.077 48 2H5* T 5 2H5' T 5 5.707 9.915 3.032 49 H4* T 5 H4' T 5 3.289 9.503 3.023 50 H3* T 5 H3' T 5 4.854 9.833 5.446 51 1H2* T 5 1H2' T 5 2.636 8.730 6.727 52 2H2* T 5 2H2' T 5 4.145 7.852 6.377 53 H1* T 5 H1' T 5 1.612 8.003 4.674 54 H3 T 5 H3 T 5 0.179 3.838 5.993 55 1H5M T 5 1H5M T 5 4.980 3.193 7.143 56 2H5M T 5 2H5M T 5 4.571 2.207 5.726 57 3H5M T 5 3H5M T 5 5.572 3.658 5.531 58 H6 T 5 H6 T 5 4.515 5.802 5.378 59 1H5* G 6 1H5' G 6 0.196 10.849 5.574 60 2H5* G 6 2H5' G 6 -0.026 12.246 6.645 61 H4* G 6 H4' G 6 -1.779 10.624 6.983 62 H3* G 6 H3' G 6 -0.176 11.596 9.148 63 1H2* G 6 1H2' G 6 -0.645 9.296 10.560 64 2H2* G 6 2H2' G 6 0.793 9.477 9.515 65 H1* G 6 H1' G 6 -1.912 8.318 8.700 66 H8 G 6 H8 G 6 1.929 7.544 8.519 67 H1 G 6 H1 G 6 -1.859 2.446 9.505 68 1H2 G 6 1H2 G 6 -4.423 4.871 9.391 69 2H2 G 6 2H2 G 6 -4.063 3.167 9.584 70 1H5* A 7 1H5' A 7 -4.492 9.554 9.822 71 2H5* A 7 2H5' A 7 -5.266 10.530 11.084 72 H4* A 7 H4' A 7 -6.038 8.240 11.206 73 H3* A 7 H3' A 7 -5.022 9.627 13.453 74 1H2* A 7 1H2' A 7 -3.976 7.365 14.553 75 2H2* A 7 2H2' A 7 -2.999 8.355 13.431 76 H1* A 7 H1' A 7 -4.799 6.000 12.671 77 H8 A 7 H8 A 7 -1.186 7.385 12.063 78 1H6 A 7 1H6 A 7 0.642 1.525 12.701 79 2H6 A 7 2H6 A 7 1.109 3.180 12.315 80 H2 A 7 H2 A 7 -3.822 1.618 13.063 81 1H5* C 8 1H5' C 8 -7.866 5.744 13.894 82 2H5* C 8 2H5' C 8 -8.911 6.103 15.281 83 H4* C 8 H4' C 8 -8.560 3.686 14.960 84 H3* C 8 H3' C 8 -8.414 4.967 17.441 85 1H2* C 8 1H2' C 8 -6.334 3.491 18.347 86 2H2* C 8 2H2' C 8 -6.027 4.994 17.439 87 H1* C 8 H1' C 8 -6.256 2.171 16.300 88 1H4 C 8 1H4 C 8 0.114 4.271 15.739 89 2H4 C 8 2H4 C 8 0.110 2.568 16.184 90 H5 C 8 H5 C 8 -2.015 5.559 15.591 91 H6 C 8 H6 C 8 -4.427 5.368 15.717 92 1H5* G 9 1H5' G 9 -7.759 0.192 17.243 93 2H5* G 9 2H5' G 9 -8.991 -0.386 18.377 94 H4* G 9 H4' G 9 -7.213 -1.959 18.327 95 H3* G 9 H3' G 9 -8.070 -0.729 20.761 96 1H2* G 9 1H2' G 9 -5.610 -1.160 21.876 97 2H2* G 9 2H2' G 9 -5.997 0.378 21.043 98 H1* G 9 H1' G 9 -4.735 -2.102 19.786 99 H8 G 9 H8 G 9 -4.164 1.716 19.334 100 H1 G 9 H1 G 9 0.873 -1.499 21.706 101 1H2 G 9 1H2 G 9 -1.311 -4.268 21.359 102 2H2 G 9 2H2 G 9 0.344 -3.779 21.696 103 1H5* T 10 1H5' T 10 -5.402 -4.763 21.014 104 2H5* T 10 2H5' T 10 -6.356 -5.779 22.111 105 H4* T 10 H4' T 10 -3.991 -6.264 22.354 106 H3* T 10 H3' T 10 -5.694 -5.660 24.547 107 1H2* T 10 1H2' T 10 -3.617 -4.598 25.970 108 2H2* T 10 2H2' T 10 -4.656 -3.578 24.938 109 H1* T 10 H1' T 10 -2.060 -4.963 24.111 110 H3 T 10 H3 T 10 0.484 -1.286 25.109 111 1H5M T 10 1H5M T 10 -4.220 0.471 23.021 112 2H5M T 10 2H5M T 10 -3.664 1.261 24.510 113 3H5M T 10 3H5M T 10 -2.746 1.456 23.006 114 H6 T 10 H6 T 10 -3.967 -1.857 23.400 115 1H5* C 11 1H5' C 11 -1.374 -7.730 25.284 116 2H5* C 11 2H5' C 11 -1.746 -9.032 26.430 117 H4* C 11 H4' C 11 0.523 -8.226 26.767 118 H3* C 11 H3' C 11 -1.387 -8.451 28.860 119 1H2* C 11 1H2' C 11 -0.221 -6.405 30.239 120 2H2* C 11 2H2' C 11 -1.577 -6.122 29.121 121 H1* C 11 H1' C 11 1.406 -5.997 28.457 122 1H4 C 11 1H4 C 11 -1.201 0.179 27.821 123 2H4 C 11 2H4 C 11 0.437 0.357 28.421 124 H5 C 11 H5 C 11 -2.240 -2.034 27.485 125 H6 C 11 H6 C 11 -1.845 -4.415 27.572 126 1H5* A 12 1H5' A 12 3.387 -8.470 29.842 127 2H5* A 12 2H5' A 12 3.559 -9.603 31.197 128 H4* A 12 H4' A 12 5.236 -7.805 31.274 129 H3* A 12 H3' A 12 3.765 -8.650 33.489 130 1H2* A 12 1H2' A 12 3.398 -6.162 34.508 131 2H2* A 12 2H2' A 12 2.230 -6.828 33.341 132 H1* A 12 H1' A 12 4.674 -5.103 32.717 133 H8 A 12 H8 A 12 0.855 -5.489 31.960 134 1H6 A 12 1H6 A 12 0.775 0.683 31.688 135 2H6 A 12 2H6 A 12 -0.147 -0.811 31.552 136 H2 A 12 H2 A 12 4.992 -0.615 32.472 137 1H5* C 13 1H5' C 13 7.646 -5.799 34.027 138 2H5* C 13 2H5' C 13 8.466 -6.440 35.464 139 H4* C 13 H4' C 13 8.898 -4.036 35.149 140 H3* C 13 H3' C 13 8.082 -5.216 37.582 141 1H2* C 13 1H2' C 13 6.805 -2.897 38.333 142 2H2* C 13 2H2' C 13 5.949 -4.279 37.595 143 H1* C 13 H1' C 13 7.084 -1.800 36.225 144 1H4 C 13 1H4 C 13 0.523 -2.257 34.844 145 2H4 C 13 2H4 C 13 0.885 -0.559 35.096 146 H5 C 13 H5 C 13 2.175 -4.023 35.281 147 H6 C 13 H6 C 13 4.510 -4.441 35.737 148 1H5* A 14 1H5' A 14 9.375 -0.566 38.264 149 2H5* A 14 2H5' A 14 10.366 -0.652 39.733 150 H4* A 14 H4' A 14 8.943 1.258 39.922 151 H3* A 14 H3' A 14 8.890 -0.823 41.870 152 1H2* A 14 1H2' A 14 6.285 -0.240 42.478 153 2H2* A 14 2H2' A 14 6.713 -1.502 41.283 154 H1* A 14 H1' A 14 6.120 1.446 40.726 155 H8 A 14 H8 A 14 5.162 -2.205 39.682 156 1H6 A 14 1H6 A 14 -0.120 0.230 37.630 157 2H6 A 14 2H6 A 14 0.863 -1.220 37.818 158 H2 A 14 H2 A 14 2.343 3.550 39.318 159 1H5* T 15 1H5' T 15 7.597 3.709 43.247 160 2H5* T 15 2H5' T 15 8.040 3.816 44.963 161 H4* T 15 H4' T 15 5.975 5.076 44.443 162 H3* T 15 H3' T 15 6.248 3.374 46.642 163 1H2* T 15 1H2' T 15 3.744 2.334 46.458 164 2H2* T 15 2H2' T 15 5.104 1.598 45.585 165 H1* T 15 H1' T 15 3.242 3.800 44.575 166 H3 T 15 H3 T 15 0.480 1.595 41.741 167 1H5M T 15 1H5M T 15 4.521 -1.809 42.837 168 2H5M T 15 2H5M T 15 3.030 -2.290 43.674 169 3H5M T 15 3H5M T 15 3.089 -2.279 41.902 170 H6 T 15 H6 T 15 4.546 0.347 43.968 171 1H5* G 16 1H5' G 16 3.057 7.040 46.723 172 2H5* G 16 2H5' G 16 2.946 7.487 48.437 173 H4* G 16 H4' G 16 0.876 8.045 47.250 174 H3* G 16 H3' G 16 0.876 6.676 49.671 175 1H2* G 16 1H2' G 16 -1.135 4.974 48.978 176 2H2* G 16 2H2' G 16 0.579 4.517 48.748 177 H1* G 16 H1' G 16 -1.359 5.680 46.714 178 H8 G 16 H8 G 16 1.843 3.454 46.830 179 H1 G 16 H1 G 16 -3.086 0.829 43.677 180 1H2 G 16 1H2 G 16 -4.733 3.835 44.619 181 2H2 G 16 2H2 G 16 -4.907 2.304 43.791 182 H3T G 16 H3T G 16 -1.381 7.431 48.107 183 1H5* C 1 1H5' C 1 -9.557 -4.436 43.772 184 2H5* C 1 2H5' C 1 -10.672 -3.894 42.505 185 H4* C 1 H4' C 1 -10.056 -2.082 44.095 186 H3* C 1 H3' C 1 -10.197 -1.806 41.331 187 1H2* C 1 1H2' C 1 -8.019 -0.179 41.172 188 2H2* C 1 2H2' C 1 -7.862 -1.948 40.982 189 H1* C 1 H1' C 1 -7.573 -0.287 43.531 190 1H4 C 1 1H4 C 1 -1.548 -2.993 42.412 191 2H4 C 1 2H4 C 1 -1.350 -1.282 42.752 192 H5 C 1 H5 C 1 -3.812 -4.039 42.378 193 H6 C 1 H6 C 1 -6.168 -3.603 42.596 194 H5T C 1 H5' C 1 -8.950 -5.175 41.701 195 1H5* A 2 1H5' A 2 -8.985 2.432 43.425 196 2H5* A 2 2H5' A 2 -10.090 3.585 42.657 197 H4* A 2 H4' A 2 -7.944 4.602 42.996 198 H3* A 2 H3' A 2 -9.200 4.610 40.444 199 1H2* A 2 1H2' A 2 -6.790 4.610 39.147 200 2H2* A 2 2H2' A 2 -7.624 3.087 39.567 201 H1* A 2 H1' A 2 -5.559 4.569 41.276 202 H8 A 2 H8 A 2 -6.279 1.297 39.286 203 1H6 A 2 1H6 A 2 -0.452 -0.260 40.440 204 2H6 A 2 2H6 A 2 -1.977 -0.668 39.659 205 H2 A 2 H2 A 2 -1.149 3.820 42.201 206 1H5* T 3 1H5' T 3 -5.438 7.233 41.531 207 2H5* T 3 2H5' T 3 -5.603 8.831 40.780 208 H4* T 3 H4' T 3 -3.294 8.161 40.920 209 H3* T 3 H3' T 3 -4.527 8.958 38.432 210 1H2* T 3 1H2' T 3 -2.507 7.666 37.112 211 2H2* T 3 2H2' T 3 -4.090 6.918 37.428 212 H1* T 3 H1' T 3 -1.606 6.803 39.191 213 H3 T 3 H3 T 3 -0.110 2.573 38.417 214 1H5M T 3 1H5M T 3 -5.291 2.714 36.871 215 2H5M T 3 2H5M T 3 -4.194 2.435 35.496 216 3H5M T 3 3H5M T 3 -4.302 1.243 36.806 217 H6 T 3 H6 T 3 -4.304 4.768 37.585 218 1H5* G 4 1H5' G 4 0.166 9.257 39.267 219 2H5* G 4 2H5' G 4 0.770 10.702 38.436 220 H4* G 4 H4' G 4 2.443 8.990 38.435 221 H3* G 4 H3' G 4 1.591 10.235 36.017 222 1H2* G 4 1H2' G 4 2.156 8.018 34.556 223 2H2* G 4 2H2' G 4 0.537 8.228 35.282 224 H1* G 4 H1' G 4 2.926 6.840 36.587 225 H8 G 4 H8 G 4 -0.788 6.219 35.513 226 H1 G 4 H1 G 4 2.938 0.993 35.756 227 1H2 G 4 1H2 G 4 5.404 3.341 36.711 228 2H2 G 4 2H2 G 4 5.096 1.658 36.324 229 1H5* T 5 1H5' T 5 5.642 7.700 36.388 230 2H5* T 5 2H5' T 5 6.878 8.575 35.467 231 H4* T 5 H4' T 5 7.269 6.154 35.499 232 H3* T 5 H3' T 5 7.161 7.728 33.064 233 1H2* T 5 1H2' T 5 6.860 5.275 31.778 234 2H2* T 5 2H2' T 5 5.532 6.419 32.093 235 H1* T 5 H1' T 5 6.449 4.077 33.826 236 H3 T 5 H3 T 5 3.025 1.352 32.421 237 1H5M T 5 1H5M T 5 0.883 5.683 31.191 238 2H5M T 5 2H5M T 5 0.035 4.959 32.572 239 3H5M T 5 3H5M T 5 1.065 6.381 32.818 240 H6 T 5 H6 T 5 3.439 6.095 33.028 241 1H5* G 6 1H5' G 6 9.610 3.631 33.087 242 2H5* G 6 2H5' G 6 11.050 3.855 32.076 243 H4* G 6 H4' G 6 10.100 1.660 31.734 244 H3* G 6 H3' G 6 10.619 3.447 29.564 245 1H2* G 6 1H2' G 6 8.648 2.277 28.073 246 2H2* G 6 2H2' G 6 8.316 3.704 29.096 247 H1* G 6 H1' G 6 8.043 0.775 29.920 248 H8 G 6 H8 G 6 6.071 4.165 29.981 249 H1 G 6 H1 G 6 2.502 -1.072 28.918 250 1H2 G 6 1H2 G 6 5.620 -2.715 29.137 251 2H2 G 6 2H2 G 6 3.897 -2.925 28.894 252 1H5* A 7 1H5' A 7 10.078 -1.326 28.875 253 2H5* A 7 2H5' A 7 11.316 -1.733 27.672 254 H4* A 7 H4' A 7 9.413 -3.202 27.425 255 H3* A 7 H3' A 7 10.498 -1.747 25.254 256 1H2* A 7 1H2' A 7 8.070 -1.482 24.042 257 2H2* A 7 2H2' A 7 8.640 -0.252 25.206 258 H1* A 7 H1' A 7 6.956 -2.724 25.853 259 H8 A 7 H8 A 7 7.096 1.136 26.498 260 1H6 A 7 1H6 A 7 0.983 1.014 25.694 261 2H6 A 7 2H6 A 7 2.391 1.977 26.131 262 H2 A 7 H2 A 7 2.495 -3.189 25.348 263 1H5* C 8 1H5' C 8 7.732 -5.665 24.558 264 2H5* C 8 2H5' C 8 8.473 -6.493 23.175 265 H4* C 8 H4' C 8 6.061 -6.925 23.328 266 H3* C 8 H3' C 8 7.369 -6.213 20.947 267 1H2* C 8 1H2' C 8 5.304 -4.718 20.023 268 2H2* C 8 2H2' C 8 6.573 -3.971 21.028 269 H1* C 8 H1' C 8 3.956 -5.207 21.996 270 1H4 C 8 1H4 C 8 3.711 1.470 22.808 271 2H4 C 8 2H4 C 8 2.121 0.897 22.320 272 H5 C 8 H5 C 8 5.644 -0.090 22.961 273 H6 C 8 H6 C 8 6.301 -2.414 22.774 274 1H5* G 9 1H5' G 9 2.681 -7.230 20.870 275 2H5* G 9 2H5' G 9 2.589 -8.504 19.644 276 H4* G 9 H4' G 9 0.517 -7.359 19.695 277 H3* G 9 H3' G 9 2.044 -7.585 17.290 278 1H2* G 9 1H2' G 9 0.871 -5.324 16.288 279 2H2* G 9 2H2' G 9 2.411 -5.242 17.196 280 H1* G 9 H1' G 9 -0.398 -4.983 18.363 281 H8 G 9 H8 G 9 2.963 -3.152 19.066 282 H1 G 9 H1 G 9 -1.722 0.561 16.695 283 1H2 G 9 1H2 G 9 -3.567 -2.462 16.845 284 2H2 G 9 2H2 G 9 -3.675 -0.726 16.586 285 1H5* T 10 1H5' T 10 -2.655 -6.486 17.097 286 2H5* T 10 2H5' T 10 -3.260 -7.697 15.951 287 H4* T 10 H4' T 10 -4.621 -5.676 15.884 288 H3* T 10 H3' T 10 -3.575 -6.952 13.595 289 1H2* T 10 1H2' T 10 -3.302 -4.598 12.239 290 2H2* T 10 2H2' T 10 -1.964 -5.274 13.206 291 H1* T 10 H1' T 10 -4.088 -3.283 14.134 292 H3 T 10 H3 T 10 -1.378 0.299 13.224 293 1H5M T 10 1H5M T 10 2.012 -2.544 15.589 294 2H5M T 10 2H5M T 10 1.844 -3.875 14.421 295 3H5M T 10 3H5M T 10 2.470 -2.304 13.895 296 H6 T 10 H6 T 10 -0.536 -4.170 14.771 297 1H5* C 11 1H5' C 11 -6.887 -3.477 13.057 298 2H5* C 11 2H5' C 11 -8.045 -4.188 11.917 299 H4* C 11 H4' C 11 -7.959 -1.780 11.634 300 H3* C 11 H3' C 11 -7.596 -3.625 9.485 301 1H2* C 11 1H2' C 11 -6.094 -1.786 8.130 302 2H2* C 11 2H2' C 11 -5.353 -3.024 9.171 303 H1* C 11 H1' C 11 -6.179 -0.193 9.987 304 1H4 C 11 1H4 C 11 0.520 -0.693 10.439 305 2H4 C 11 2H4 C 11 0.152 0.936 9.906 306 H5 C 11 H5 C 11 -1.229 -2.403 10.737 307 H6 C 11 H6 C 11 -3.613 -2.795 10.689 308 1H5* A 12 1H5' A 12 -9.154 0.897 8.690 309 2H5* A 12 2H5' A 12 -10.328 0.749 7.368 310 H4* A 12 H4' A 12 -9.160 2.907 7.314 311 H3* A 12 H3' A 12 -9.540 1.293 5.064 312 1H2* A 12 1H2' A 12 -7.094 1.790 3.995 313 2H2* A 12 2H2' A 12 -7.314 0.436 5.131 314 H1* A 12 H1' A 12 -6.465 3.291 5.816 315 H8 A 12 H8 A 12 -5.562 -0.467 6.431 316 1H6 A 12 1H6 A 12 0.298 1.472 6.661 317 2H6 A 12 2H6 A 12 -0.810 0.108 6.773 318 H2 A 12 H2 A 12 -2.323 5.054 6.036 319 1H5* C 13 1H5' C 13 -8.119 5.889 4.645 320 2H5* C 13 2H5' C 13 -9.030 6.512 3.256 321 H4* C 13 H4' C 13 -6.892 7.691 3.556 322 H3* C 13 H3' C 13 -7.805 6.621 1.108 323 1H2* C 13 1H2' C 13 -5.222 6.187 0.271 324 2H2* C 13 2H2' C 13 -6.230 4.908 1.000 325 H1* C 13 H1' C 13 -4.217 6.746 2.372 326 1H4 C 13 1H4 C 13 -2.465 0.357 3.502 327 2H4 C 13 2H4 C 13 -0.985 1.265 3.253 328 H5 C 13 H5 C 13 -4.684 1.349 3.137 329 H6 C 13 H6 C 13 -5.855 3.431 2.779 330 1H5* A 14 1H5' A 14 -3.842 9.358 0.469 331 2H5* A 14 2H5' A 14 -4.265 10.342 -0.945 332 H4* A 14 H4' A 14 -2.000 9.636 -1.206 333 H3* A 14 H3' A 14 -3.978 8.991 -3.156 334 1H2* A 14 1H2' A 14 -2.579 6.755 -3.894 335 2H2* A 14 2H2' A 14 -3.891 6.688 -2.678 336 H1* A 14 H1' A 14 -0.904 7.074 -2.149 337 H8 A 14 H8 A 14 -4.023 4.932 -1.139 338 1H6 A 14 1H6 A 14 0.033 0.649 0.662 339 2H6 A 14 2H6 A 14 -1.660 1.117 0.523 340 H2 A 14 H2 A 14 2.342 4.129 -0.927 341 1H5* T 15 1H5' T 15 0.697 9.169 -4.571 342 2H5* T 15 2H5' T 15 0.671 9.691 -6.268 343 H4* T 15 H4' T 15 2.445 8.030 -5.839 344 H3* T 15 H3' T 15 0.656 7.874 -8.000 345 1H2* T 15 1H2' T 15 0.449 5.162 -7.894 346 2H2* T 15 2H2' T 15 -0.647 6.207 -6.962 347 H1* T 15 H1' T 15 2.050 5.100 -6.047 348 H3 T 15 H3 T 15 0.900 1.685 -3.303 349 1H5M T 15 1H5M T 15 -3.623 4.467 -4.163 350 2H5M T 15 2H5M T 15 -3.648 2.979 -5.135 351 3H5M T 15 3H5M T 15 -3.611 2.884 -3.364 352 H6 T 15 H6 T 15 -1.628 5.200 -5.375 353 1H5* G 16 1H5' G 16 5.116 6.030 -8.269 354 2H5* G 16 2H5' G 16 5.533 6.064 -9.994 355 H4* G 16 H4' G 16 6.748 4.281 -8.817 356 H3* G 16 H3' G 16 5.408 3.853 -11.222 357 1H2* G 16 1H2' G 16 4.467 1.394 -10.525 358 2H2* G 16 2H2' G 16 3.483 2.866 -10.259 359 H1* G 16 H1' G 16 5.275 1.413 -8.276 360 H8 G 16 H8 G 16 2.098 3.676 -8.265 361 H1 G 16 H1 G 16 1.329 -1.989 -5.350 362 1H2 G 16 1H2 G 16 4.707 -2.470 -6.350 363 2H2 G 16 2H2 G 16 3.335 -3.200 -5.550 364 H3T G 16 H3T G 16 6.893 1.963 -9.693 No H/Q in entry = 364
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