NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18061 | 2dd3 | 6979 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5' G 1 5.022 -6.286 -3.505 2 2H5* G 1 2H5' G 1 5.797 -7.079 -2.125 3 H4* G 1 H4' G 1 7.535 -5.854 -3.064 4 H3* G 1 H3' G 1 6.343 -4.095 -0.891 5 H2* G 1 H2' G 1 8.152 -2.619 -1.226 6 2HO* G 1 HO2' G 1 9.648 -4.442 -1.745 7 H1* G 1 H1' G 1 7.759 -2.513 -3.915 8 H8 G 1 H8 G 1 4.259 -3.107 -3.304 9 H1 G 1 H1 G 1 5.932 2.513 -0.669 10 1H2 G 1 2H2 G 1 8.143 2.586 -0.395 11 2H2 G 1 1H2 G 1 9.181 1.265 -0.937 12 H5T G 1 H5' G 1 4.867 -5.635 -0.739 13 1H5* G 2 1H5' G 2 9.672 -4.308 0.952 14 2H5* G 2 2H5' G 2 9.513 -4.731 2.663 15 H4* G 2 H4' G 2 10.396 -2.431 2.211 16 H3* G 2 H3' G 2 7.788 -2.636 3.735 17 H2* G 2 H2' G 2 8.011 -0.256 4.083 18 2HO* G 2 HO2' G 2 10.429 -0.570 4.295 19 H1* G 2 H1' G 2 8.821 0.286 1.507 20 H8 G 2 H8 G 2 6.021 -2.194 1.114 21 H1 G 2 H1 G 2 4.060 3.710 2.818 22 1H2 G 2 2H2 G 2 5.823 4.874 3.612 23 2H2 G 2 1H2 G 2 7.432 4.154 3.597 24 1H5* U 3 1H5' U 3 10.173 -0.028 6.149 25 2H5* U 3 2H5' U 3 9.935 -0.447 7.853 26 H4* U 3 H4' U 3 9.301 1.920 7.283 27 H3* U 3 H3' U 3 7.213 0.030 8.370 28 H2* U 3 H2' U 3 5.651 1.789 8.344 29 2HO* U 3 HO2' U 3 7.016 3.362 9.288 30 H1* U 3 H1' U 3 6.583 3.019 6.016 31 H3 U 3 H3 U 3 2.232 1.926 5.176 32 H5 U 3 H5 U 3 4.304 -1.707 4.845 33 H6 U 3 H6 U 3 6.295 -0.626 5.703 34 1H5* G 4 1H5' G 4 5.399 2.200 12.694 35 2H5* G 4 2H5' G 4 4.894 1.137 11.376 36 H4* G 4 H4' G 4 4.597 4.173 11.440 37 H3* G 4 H3' G 4 2.735 1.820 11.811 38 H2* G 4 H2' G 4 0.983 3.004 10.680 39 2HO* G 4 HO2' G 4 1.670 5.091 11.630 40 H1* G 4 H1' G 4 2.496 3.761 8.572 41 H8 G 4 H8 G 4 4.138 0.516 9.519 42 H1 G 4 H1 G 4 -1.371 -0.391 6.351 43 1H2 G 4 2H2 G 4 -2.547 1.523 6.268 44 2H2 G 4 1H2 G 4 -1.941 2.988 6.985 45 1H5* A 5 1H5' A 5 0.298 5.029 16.342 46 2H5* A 5 2H5' A 5 -0.436 4.131 15.015 47 H4* A 5 H4' A 5 1.512 6.458 14.642 48 H3* A 5 H3' A 5 -1.478 6.395 15.013 49 H2* A 5 H2' A 5 -1.783 8.055 13.378 50 2HO* A 5 HO2' A 5 0.066 9.339 13.937 51 H1* A 5 H1' A 5 -0.157 6.950 11.514 52 H8 A 5 H8 A 5 -0.896 3.719 12.269 53 1H6 A 5 1H6 A 5 -6.704 4.372 10.203 54 2H6 A 5 2H6 A 5 -5.419 3.203 10.507 55 H2 A 5 H2 A 5 -5.188 8.379 11.218 56 1H5* A 6 1H5' A 6 -3.456 8.465 17.677 57 2H5* A 6 2H5' A 6 -2.906 7.047 16.751 58 H4* A 6 H4' A 6 -5.086 8.984 15.843 59 H3* A 6 H3' A 6 -5.237 6.261 17.172 60 H2* A 6 H2' A 6 -7.275 5.905 15.925 61 2HO* A 6 HO2' A 6 -7.781 8.291 16.204 62 H1* A 6 H1' A 6 -6.249 6.820 13.569 63 H8 A 6 H8 A 6 -3.371 5.020 15.206 64 1H6 A 6 1H6 A 6 -6.075 -0.215 13.206 65 2H6 A 6 2H6 A 6 -4.566 0.422 13.830 66 H2 A 6 H2 A 6 -8.969 3.042 12.730 67 1H5* G 7 1H5' G 7 -8.974 6.581 17.534 68 2H5* G 7 2H5' G 7 -9.500 6.183 19.180 69 H4* G 7 H4' G 7 -10.325 4.549 17.518 70 H3* G 7 H3' G 7 -8.319 3.506 19.528 71 H2* G 7 H2' G 7 -8.753 1.306 18.614 72 2HO* G 7 HO2' G 7 -11.070 1.839 18.307 73 H1* G 7 H1' G 7 -8.601 2.103 16.012 74 H8 G 7 H8 G 7 -5.989 4.121 17.917 75 H1 G 7 H1 G 7 -4.231 -1.952 16.725 76 1H2 G 7 2H2 G 7 -6.079 -3.172 16.258 77 2H2 G 7 1H2 G 7 -7.637 -2.379 16.036 78 1H5* G 8 1H5' G 8 -11.918 0.905 19.655 79 2H5* G 8 2H5' G 8 -12.198 0.435 21.340 80 H4* G 8 H4' G 8 -11.988 -1.505 19.774 81 H3* G 8 H3' G 8 -9.962 -1.218 22.003 82 H2* G 8 H2' G 8 -9.100 -3.369 21.331 83 2HO* G 8 HO2' G 8 -11.380 -4.087 20.868 84 H1* G 8 H1' G 8 -9.186 -2.861 18.644 85 H8 G 8 H8 G 8 -8.007 0.337 20.341 86 H1 G 8 H1 G 8 -3.444 -4.163 19.821 87 1H2 G 8 2H2 G 8 -4.424 -6.169 19.569 88 2H2 G 8 1H2 G 8 -6.162 -6.299 19.285 89 1H5* C 9 1H5' C 9 -11.538 -5.285 22.448 90 2H5* C 9 2H5' C 9 -11.667 -5.648 24.180 91 H4* C 9 H4' C 9 -10.148 -7.209 22.961 92 H3* C 9 H3' C 9 -8.895 -5.442 25.081 93 H2* C 9 H2' C 9 -6.857 -6.680 24.718 94 2HO* C 9 HO2' C 9 -8.268 -8.682 24.354 95 H1* C 9 H1' C 9 -7.070 -6.701 21.977 96 1H4 C 9 2H4 C 9 -3.152 -1.954 23.218 97 2H4 C 9 1H4 C 9 -4.468 -0.807 23.485 98 H5 C 9 H5 C 9 -6.834 -1.577 23.581 99 H6 C 9 H6 C 9 -8.268 -3.500 23.342 100 1H5* U 10 1H5' U 10 -7.143 -9.158 26.054 101 2H5* U 10 2H5' U 10 -7.253 -9.365 27.810 102 H4* U 10 H4' U 10 -4.906 -9.397 27.066 103 H3* U 10 H3' U 10 -5.712 -6.951 28.680 104 H2* U 10 H2' U 10 -3.384 -6.385 28.739 105 2HO* U 10 HO2' U 10 -2.905 -8.829 28.883 106 H1* U 10 H1' U 10 -2.946 -7.043 26.081 107 H3 U 10 H3 U 10 -2.481 -2.503 26.383 108 H5 U 10 H5 U 10 -6.629 -3.110 26.640 109 H6 U 10 H6 U 10 -6.244 -5.493 26.648 110 H3T U 10 HO3' U 10 -5.003 -8.167 30.372 111 1H5* G 11 1H5' G 11 6.511 -5.582 24.414 112 2H5* G 11 2H5' G 11 6.900 -6.754 23.147 113 H4* G 11 H4' G 11 5.472 -7.950 24.539 114 H3* G 11 H3' G 11 3.710 -6.751 22.370 115 H2* G 11 H2' G 11 1.941 -8.051 23.221 116 2HO* G 11 HO2' G 11 3.449 -9.848 23.800 117 H1* G 11 H1' G 11 2.378 -7.257 25.797 118 H8 G 11 H8 G 11 3.497 -4.097 24.508 119 H1 G 11 H1 G 11 -2.734 -4.878 23.135 120 1H2 G 11 2H2 G 11 -3.241 -7.057 23.175 121 2H2 G 11 1H2 G 11 -2.043 -8.267 23.644 122 H5T G 11 H5' G 11 5.515 -5.755 21.755 123 1H5* C 12 1H5' C 12 2.926 -10.316 21.173 124 2H5* C 12 2H5' C 12 3.151 -10.535 19.429 125 H4* C 12 H4' C 12 0.789 -10.755 20.146 126 H3* C 12 H3' C 12 1.378 -8.362 18.380 127 H2* C 12 H2' C 12 -1.026 -8.107 18.273 128 2HO* C 12 HO2' C 12 -1.331 -10.485 18.238 129 H1* C 12 H1' C 12 -1.394 -8.556 20.968 130 1H4 C 12 2H4 C 12 -1.347 -2.298 20.145 131 2H4 C 12 1H4 C 12 0.396 -2.200 20.394 132 H5 C 12 H5 C 12 1.780 -4.266 20.591 133 H6 C 12 H6 C 12 1.695 -6.680 20.647 134 1H5* C 13 1H5' C 13 -1.831 -10.676 16.484 135 2H5* C 13 2H5' C 13 -1.689 -10.549 14.724 136 H4* C 13 H4' C 13 -3.887 -9.742 15.655 137 H3* C 13 H3' C 13 -2.160 -7.727 14.192 138 H2* C 13 H2' C 13 -4.028 -6.247 14.367 139 2HO* C 13 HO2' C 13 -5.653 -7.777 13.888 140 H1* C 13 H1' C 13 -4.648 -6.941 16.967 141 1H4 C 13 2H4 C 13 -1.542 -1.444 17.106 142 2H4 C 13 1H4 C 13 0.040 -2.223 17.029 143 H5 C 13 H5 C 13 0.241 -4.694 16.745 144 H6 C 13 H6 C 13 -1.017 -6.742 16.463 145 1H5* G 14 1H5' G 14 -5.266 -6.123 10.237 146 2H5* G 14 2H5' G 14 -3.855 -5.489 11.092 147 H4* G 14 H4' G 14 -6.750 -5.249 11.996 148 H3* G 14 H3' G 14 -4.992 -3.554 10.347 149 H2* G 14 H2' G 14 -4.832 -1.673 11.727 150 2HO* G 14 HO2' G 14 -7.358 -2.241 12.043 151 H1* G 14 H1' G 14 -5.058 -2.757 14.230 152 H8 G 14 H8 G 14 -2.754 -5.283 12.891 153 H1 G 14 H1 G 14 0.240 0.255 14.162 154 1H2 G 14 1H2 G 14 -1.134 1.859 14.188 155 2H2 G 14 2H2 G 14 -2.883 1.705 14.143 156 1H5* A 15 1H5' A 15 -7.366 -0.446 10.527 157 2H5* A 15 2H5' A 15 -8.477 -0.450 9.145 158 H4* A 15 H4' A 15 -7.493 1.722 9.288 159 H3* A 15 H3' A 15 -7.434 0.250 6.974 160 H2* A 15 H2' A 15 -5.304 -0.517 6.917 161 2HO* A 15 HO2' A 15 -5.353 1.505 5.439 162 H1* A 15 H1' A 15 -3.951 1.705 8.341 163 H8 A 15 H8 A 15 -4.445 -2.105 7.999 164 1H6 A 15 1H6 A 15 0.964 -2.344 11.037 165 2H6 A 15 2H6 A 15 -0.202 -3.306 10.129 166 H2 A 15 H2 A 15 -0.538 1.763 11.323 167 1H5* A 16 1H5' A 16 -6.963 5.074 3.881 168 2H5* A 16 2H5' A 16 -5.922 4.511 5.199 169 H4* A 16 H4' A 16 -8.065 6.665 5.482 170 H3* A 16 H3' A 16 -5.113 6.757 4.908 171 H2* A 16 H2' A 16 -4.744 8.493 6.495 172 2HO* A 16 HO2' A 16 -6.978 9.374 5.884 173 H1* A 16 H1' A 16 -6.109 7.365 8.521 174 H8 A 16 H8 A 16 -5.169 4.127 7.179 175 1H6 A 16 1H6 A 16 0.592 5.186 9.213 176 2H6 A 16 2H6 A 16 -0.452 3.954 8.518 177 H2 A 16 H2 A 16 -1.551 9.016 9.277 178 1H5* G 17 1H5' G 17 -4.900 10.336 4.792 179 2H5* G 17 2H5' G 17 -4.221 11.000 3.292 180 H4* G 17 H4' G 17 -2.718 11.297 5.260 181 H3* G 17 H3' G 17 -1.726 9.499 3.035 182 H2* G 17 H2' G 17 0.358 9.351 4.252 183 2HO* G 17 HO2' G 17 0.066 11.694 4.904 184 H1* G 17 H1' G 17 -0.798 9.022 6.708 185 H8 G 17 H8 G 17 -2.897 7.021 4.252 186 H1 G 17 H1 G 17 2.553 4.107 6.033 187 1H2 G 17 1H2 G 17 3.872 5.540 7.071 188 2H2 G 17 2H2 G 17 3.366 7.201 7.356 189 1H5* C 18 1H5' C 18 1.476 12.337 3.832 190 2H5* C 18 2H5' C 18 2.239 12.806 2.303 191 H4* C 18 H4' C 18 3.842 11.760 3.897 192 H3* C 18 H3' C 18 3.279 10.237 1.339 193 H2* C 18 H2' C 18 5.082 8.768 2.006 194 2HO* C 18 HO2' C 18 6.301 10.653 2.887 195 H1* C 18 H1' C 18 4.279 8.627 4.632 196 1H4 C 18 2H4 C 18 1.670 3.459 2.058 197 2H4 C 18 1H4 C 18 0.272 4.378 1.521 198 H5 C 18 H5 C 18 0.223 6.843 1.581 199 H6 C 18 H6 C 18 1.388 8.799 2.355 200 1H5* C 19 1H5' C 19 7.649 10.890 1.475 201 2H5* C 19 2H5' C 19 8.216 11.191 -0.179 202 H4* C 19 H4' C 19 9.359 9.258 0.882 203 H3* C 19 H3' C 19 7.566 8.589 -1.475 204 H2* C 19 H2' C 19 8.516 6.359 -1.327 205 2HO* C 19 HO2' C 19 10.644 7.394 -0.653 206 H1* C 19 H1' C 19 8.276 6.235 1.406 207 1H4 C 19 2H4 C 19 3.111 3.391 -0.775 208 2H4 C 19 1H4 C 19 2.199 4.905 -0.843 209 H5 C 19 H5 C 19 3.348 7.098 -0.538 210 H6 C 19 H6 C 19 5.453 8.129 0.017 211 H2* PR5 20 H2' P5P 20 8.333 3.454 -5.868 212 2HO* PR5 20 HO2' P5P 20 9.523 1.628 -5.149 213 H1* PR5 20 H1' P5P 20 8.607 2.640 -3.240 214 H4* PR5 20 H4' P5P 20 11.313 4.453 -3.751 215 1H5* PR5 20 1H5' P5P 20 11.141 6.549 -2.478 216 2H5* PR5 20 2H5' P5P 20 11.504 6.873 -4.183 217 H3* PR5 20 H3' P5P 20 9.137 5.671 -5.487 218 H3T PR5 20 HO3' P5P 20 11.178 3.904 -6.245 219 H8 PR5 20 H8 P5P 20 7.320 6.201 -3.126 220 H3 PR5 20 H2 P5P 20 4.749 0.622 -5.051 221 H6 PR5 20 H6 P5P 20 2.831 4.151 -4.000 Start of MODEL 2 1 1H5* G 1 1H5' G 1 8.415 -6.414 -1.583 2 2H5* G 1 2H5' G 1 9.203 -6.844 -0.058 3 H4* G 1 H4' G 1 10.661 -5.282 -0.973 4 H3* G 1 H3' G 1 8.810 -3.725 0.868 5 H2* G 1 H2' G 1 10.196 -1.849 0.518 6 2HO* G 1 HO2' G 1 12.164 -3.239 0.357 7 H1* G 1 H1' G 1 10.113 -2.098 -2.188 8 H8 G 1 H8 G 1 6.836 -3.552 -1.823 9 H1 G 1 H1 G 1 6.687 2.549 0.199 10 1H2 G 1 2H2 G 1 8.753 3.234 0.675 11 2H2 G 1 1H2 G 1 10.151 2.187 0.412 12 H5T G 1 H5' G 1 7.777 -5.593 1.066 13 1H5* G 2 1H5' G 2 11.855 -2.908 3.039 14 2H5* G 2 2H5' G 2 11.588 -3.173 4.769 15 H4* G 2 H4' G 2 11.898 -0.776 4.067 16 H3* G 2 H3' G 2 9.293 -1.535 5.407 17 H2* G 2 H2' G 2 8.793 0.816 5.406 18 2HO* G 2 HO2' G 2 11.150 1.262 5.880 19 H1* G 2 H1' G 2 9.750 1.295 2.866 20 H8 G 2 H8 G 2 7.768 -1.894 2.591 21 H1 G 2 H1 G 2 4.124 3.384 3.280 22 1H2 G 2 2H2 G 2 5.405 5.067 4.064 23 2H2 G 2 1H2 G 2 7.144 4.840 4.244 24 1H5* U 3 1H5' U 3 10.671 1.887 7.648 25 2H5* U 3 2H5' U 3 10.271 1.673 9.359 26 H4* U 3 H4' U 3 9.195 3.674 8.217 27 H3* U 3 H3' U 3 7.506 1.579 9.583 28 H2* U 3 H2' U 3 5.565 2.839 9.014 29 2HO* U 3 HO2' U 3 6.856 4.868 9.522 30 H1* U 3 H1' U 3 6.429 3.663 6.512 31 H3 U 3 H3 U 3 2.713 1.222 5.650 32 H5 U 3 H5 U 3 5.751 -1.628 6.189 33 H6 U 3 H6 U 3 7.209 0.121 7.003 34 1H5* G 4 1H5' G 4 5.765 5.387 11.037 35 2H5* G 4 2H5' G 4 5.296 5.100 12.721 36 H4* G 4 H4' G 4 3.364 5.633 11.217 37 H3* G 4 H3' G 4 3.439 2.962 12.621 38 H2* G 4 H2' G 4 1.280 2.469 11.684 39 2HO* G 4 HO2' G 4 0.574 4.737 12.006 40 H1* G 4 H1' G 4 1.861 3.390 9.161 41 H8 G 4 H8 G 4 4.590 1.484 11.211 42 H1 G 4 H1 G 4 1.034 -2.189 7.334 43 1H2 G 4 2H2 G 4 -0.531 -0.957 6.328 44 2H2 G 4 1H2 G 4 -0.714 0.751 6.659 45 1H5* A 5 1H5' A 5 -0.156 6.250 16.486 46 2H5* A 5 2H5' A 5 -0.689 4.719 15.799 47 H4* A 5 H4' A 5 -0.063 7.280 14.227 48 H3* A 5 H3' A 5 -2.617 5.987 15.218 49 H2* A 5 H2' A 5 -3.762 6.830 13.346 50 2HO* A 5 HO2' A 5 -2.469 8.898 13.638 51 H1* A 5 H1' A 5 -1.606 6.503 11.558 52 H8 A 5 H8 A 5 -1.247 3.207 12.405 53 1H6 A 5 1H6 A 5 -6.501 1.850 9.403 54 2H6 A 5 2H6 A 5 -4.990 1.178 9.985 55 H2 A 5 H2 A 5 -6.644 6.119 10.457 56 1H5* A 6 1H5' A 6 -4.647 9.606 15.675 57 2H5* A 6 2H5' A 6 -5.376 9.513 17.292 58 H4* A 6 H4' A 6 -7.100 9.379 15.560 59 H3* A 6 H3' A 6 -6.632 6.761 17.021 60 H2* A 6 H2' A 6 -8.501 5.898 15.772 61 2HO* A 6 HO2' A 6 -9.572 8.090 15.963 62 H1* A 6 H1' A 6 -7.715 6.935 13.379 63 H8 A 6 H8 A 6 -4.693 5.768 15.437 64 1H6 A 6 1H6 A 6 -5.949 0.201 13.006 65 2H6 A 6 2H6 A 6 -4.741 1.067 13.924 66 H2 A 6 H2 A 6 -9.343 2.806 12.141 67 1H5* G 7 1H5' G 7 -10.486 6.242 17.145 68 2H5* G 7 2H5' G 7 -10.975 5.745 18.774 69 H4* G 7 H4' G 7 -11.362 3.988 17.063 70 H3* G 7 H3' G 7 -9.343 3.347 19.224 71 H2* G 7 H2' G 7 -9.312 1.098 18.311 72 2HO* G 7 HO2' G 7 -11.659 1.204 17.828 73 H1* G 7 H1' G 7 -9.122 1.914 15.715 74 H8 G 7 H8 G 7 -7.070 4.327 17.857 75 H1 G 7 H1 G 7 -4.166 -1.295 16.675 76 1H2 G 7 2H2 G 7 -5.694 -2.780 15.945 77 2H2 G 7 1H2 G 7 -7.350 -2.275 15.614 78 1H5* G 8 1H5' G 8 -12.388 0.115 19.058 79 2H5* G 8 2H5' G 8 -12.702 -0.445 20.708 80 H4* G 8 H4' G 8 -12.014 -2.261 19.114 81 H3* G 8 H3' G 8 -10.315 -1.700 21.551 82 H2* G 8 H2' G 8 -8.999 -3.625 20.947 83 2HO* G 8 HO2' G 8 -11.055 -4.737 20.251 84 H1* G 8 H1' G 8 -8.947 -3.088 18.251 85 H8 G 8 H8 G 8 -8.472 0.205 20.108 86 H1 G 8 H1 G 8 -3.138 -3.368 19.658 87 1H2 G 8 2H2 G 8 -3.711 -5.497 19.237 88 2H2 G 8 1H2 G 8 -5.387 -5.932 18.893 89 1H5* C 9 1H5' C 9 -11.224 -6.017 21.702 90 2H5* C 9 2H5' C 9 -11.528 -6.457 23.395 91 H4* C 9 H4' C 9 -9.617 -7.725 22.392 92 H3* C 9 H3' C 9 -9.085 -5.859 24.707 93 H2* C 9 H2' C 9 -6.808 -6.410 24.636 94 2HO* C 9 HO2' C 9 -7.201 -8.703 24.480 95 H1* C 9 H1' C 9 -6.607 -6.751 21.868 96 1H4 C 9 2H4 C 9 -3.637 -1.337 23.056 97 2H4 C 9 1H4 C 9 -5.129 -0.440 23.340 98 H5 C 9 H5 C 9 -7.327 -1.621 23.432 99 H6 C 9 H6 C 9 -8.403 -3.765 23.146 100 1H5* U 10 1H5' U 10 -7.017 -7.548 28.422 101 2H5* U 10 2H5' U 10 -7.051 -6.325 27.143 102 H4* U 10 H4' U 10 -5.026 -8.591 27.067 103 H3* U 10 H3' U 10 -4.916 -6.003 28.650 104 H2* U 10 H2' U 10 -2.567 -5.895 28.197 105 2HO* U 10 HO2' U 10 -2.423 -8.316 28.332 106 H1* U 10 H1' U 10 -2.839 -6.449 25.527 107 H3 U 10 H3 U 10 -1.904 -1.957 26.232 108 H5 U 10 H5 U 10 -6.086 -2.269 26.384 109 H6 U 10 H6 U 10 -5.881 -4.667 26.280 110 H3T U 10 HO3' U 10 -5.191 -7.999 29.801 111 1H5* G 11 1H5' G 11 6.496 -3.237 24.568 112 2H5* G 11 2H5' G 11 7.206 -4.228 23.285 113 H4* G 11 H4' G 11 5.905 -5.753 24.467 114 H3* G 11 H3' G 11 4.154 -4.755 22.189 115 H2* G 11 H2' G 11 2.582 -6.401 22.809 116 2HO* G 11 HO2' G 11 4.340 -7.935 23.432 117 H1* G 11 H1' G 11 2.652 -5.724 25.450 118 H8 G 11 H8 G 11 3.263 -2.333 24.363 119 H1 G 11 H1 G 11 -2.694 -4.164 22.784 120 1H2 G 11 2H2 G 11 -2.794 -6.396 22.700 121 2H2 G 11 1H2 G 11 -1.391 -7.394 23.099 122 H5T G 11 H5' G 11 5.799 -3.398 21.817 123 1H5* C 12 1H5' C 12 4.288 -8.338 20.674 124 2H5* C 12 2H5' C 12 4.630 -8.336 18.935 125 H4* C 12 H4' C 12 2.316 -9.056 19.501 126 H3* C 12 H3' C 12 2.526 -6.460 17.951 127 H2* C 12 H2' C 12 0.126 -6.629 17.737 128 2HO* C 12 HO2' C 12 0.198 -8.981 17.458 129 H1* C 12 H1' C 12 -0.263 -7.396 20.361 130 1H4 C 12 2H4 C 12 -1.448 -1.203 20.114 131 2H4 C 12 1H4 C 12 0.244 -0.784 20.374 132 H5 C 12 H5 C 12 2.012 -2.537 20.389 133 H6 C 12 H6 C 12 2.410 -4.920 20.250 134 1H5* C 13 1H5' C 13 -0.029 -9.278 15.686 135 2H5* C 13 2H5' C 13 0.068 -8.929 13.953 136 H4* C 13 H4' C 13 -2.245 -8.756 14.996 137 H3* C 13 H3' C 13 -1.101 -6.321 13.605 138 H2* C 13 H2' C 13 -3.246 -5.306 13.980 139 2HO* C 13 HO2' C 13 -4.528 -7.114 13.475 140 H1* C 13 H1' C 13 -3.553 -6.264 16.542 141 1H4 C 13 2H4 C 13 -1.652 -0.297 17.164 142 2H4 C 13 1H4 C 13 0.053 -0.715 16.976 143 H5 C 13 H5 C 13 0.748 -3.041 16.395 144 H6 C 13 H6 C 13 -0.072 -5.265 15.918 145 1H5* G 14 1H5' G 14 -5.000 -5.510 10.045 146 2H5* G 14 2H5' G 14 -3.686 -4.513 10.667 147 H4* G 14 H4' G 14 -6.372 -5.007 12.022 148 H3* G 14 H3' G 14 -5.823 -3.323 9.928 149 H2* G 14 H2' G 14 -4.145 -2.055 10.819 150 2HO* G 14 HO2' G 14 -6.620 -1.022 11.256 151 H1* G 14 H1' G 14 -5.132 -1.856 13.604 152 H8 G 14 H8 G 14 -2.427 -4.160 12.231 153 H1 G 14 H1 G 14 -0.026 1.436 14.265 154 1H2 G 14 1H2 G 14 -1.585 2.724 14.957 155 2H2 G 14 2H2 G 14 -3.292 2.322 14.941 156 1H5* A 15 1H5' A 15 -8.406 -0.639 10.007 157 2H5* A 15 2H5' A 15 -9.815 -1.047 9.015 158 H4* A 15 H4' A 15 -8.514 0.673 7.925 159 H3* A 15 H3' A 15 -9.229 -1.641 6.564 160 H2* A 15 H2' A 15 -7.244 -2.707 6.847 161 2HO* A 15 HO2' A 15 -7.056 -1.333 4.413 162 H1* A 15 H1' A 15 -5.630 -0.208 6.347 163 H8 A 15 H8 A 15 -5.410 -3.742 6.748 164 1H6 A 15 1H6 A 15 -0.321 -3.078 10.268 165 2H6 A 15 2H6 A 15 -1.291 -4.277 9.434 166 H2 A 15 H2 A 15 -2.158 0.858 9.853 167 1H5* A 16 1H5' A 16 -7.696 1.521 2.031 168 2H5* A 16 2H5' A 16 -6.111 0.867 2.457 169 H4* A 16 H4' A 16 -7.928 2.538 4.258 170 H3* A 16 H3' A 16 -5.209 3.072 3.002 171 H2* A 16 H2' A 16 -5.000 4.724 4.712 172 2HO* A 16 HO2' A 16 -7.382 5.271 4.307 173 H1* A 16 H1' A 16 -6.435 3.121 6.581 174 H8 A 16 H8 A 16 -3.692 0.942 5.413 175 1H6 A 16 1H6 A 16 -0.144 3.942 9.523 176 2H6 A 16 2H6 A 16 -0.244 2.486 8.529 177 H2 A 16 H2 A 16 -3.634 6.467 8.709 178 1H5* G 17 1H5' G 17 -6.348 7.023 3.501 179 2H5* G 17 2H5' G 17 -5.757 7.951 2.110 180 H4* G 17 H4' G 17 -4.730 8.731 4.206 181 H3* G 17 H3' G 17 -2.849 7.345 2.280 182 H2* G 17 H2' G 17 -1.061 7.921 3.793 183 2HO* G 17 HO2' G 17 -2.227 10.037 4.243 184 H1* G 17 H1' G 17 -2.410 7.231 6.070 185 H8 G 17 H8 G 17 -3.208 4.769 3.228 186 H1 G 17 H1 G 17 2.216 3.508 6.438 187 1H2 G 17 1H2 G 17 2.778 5.253 7.694 188 2H2 G 17 2H2 G 17 1.761 6.687 7.752 189 1H5* C 18 1H5' C 18 -0.788 10.991 3.305 190 2H5* C 18 2H5' C 18 0.004 11.627 1.852 191 H4* C 18 H4' C 18 1.624 11.123 3.663 192 H3* C 18 H3' C 18 1.828 9.391 1.184 193 H2* C 18 H2' C 18 3.865 8.521 2.159 194 2HO* C 18 HO2' C 18 4.388 10.717 3.021 195 H1* C 18 H1' C 18 2.799 8.280 4.685 196 1H4 C 18 2H4 C 18 2.051 2.476 2.269 197 2H4 C 18 1H4 C 18 0.572 2.953 1.447 198 H5 C 18 H5 C 18 -0.126 5.312 1.264 199 H6 C 18 H6 C 18 0.330 7.545 2.038 200 1H5* C 19 1H5' C 19 5.812 11.209 1.769 201 2H5* C 19 2H5' C 19 6.489 11.579 0.171 202 H4* C 19 H4' C 19 7.958 10.088 1.507 203 H3* C 19 H3' C 19 6.744 8.842 -0.981 204 H2* C 19 H2' C 19 8.246 6.981 -0.547 205 2HO* C 19 HO2' C 19 9.891 8.611 0.294 206 H1* C 19 H1' C 19 7.678 6.908 2.136 207 1H4 C 19 2H4 C 19 3.815 2.644 -0.390 208 2H4 C 19 1H4 C 19 2.547 3.840 -0.682 209 H5 C 19 H5 C 19 3.004 6.276 -0.420 210 H6 C 19 H6 C 19 4.655 7.877 0.297 211 H2* PR5 20 H2' P5P 20 9.568 3.864 -4.724 212 2HO* PR5 20 HO2' P5P 20 11.747 3.647 -2.903 213 H1* PR5 20 H1' P5P 20 9.623 3.345 -2.032 214 H4* PR5 20 H4' P5P 20 11.807 5.874 -2.421 215 1H5* PR5 20 1H5' P5P 20 10.862 7.881 -1.374 216 2H5* PR5 20 2H5' P5P 20 11.348 8.194 -3.049 217 H3* PR5 20 H3' P5P 20 9.606 6.252 -4.478 218 H3T PR5 20 HO3' P5P 20 12.079 5.083 -4.973 219 H8 PR5 20 H8 P5P 20 7.479 6.458 -2.501 220 H3 PR5 20 H2 P5P 20 6.693 0.226 -3.908 221 H6 PR5 20 H6 P5P 20 3.826 3.211 -3.593 Start of MODEL 3 1 1H5* G 1 1H5' G 1 -2.794 -2.565 -5.538 2 2H5* G 1 2H5' G 1 -2.547 -4.102 -4.697 3 H4* G 1 H4' G 1 -0.583 -3.855 -5.916 4 H3* G 1 H3' G 1 -0.014 -2.701 -3.163 5 H2* G 1 H2' G 1 2.250 -2.532 -3.806 6 2HO* G 1 HO2' G 1 2.095 -4.527 -5.158 7 H1* G 1 H1' G 1 1.652 -1.228 -6.114 8 H8 G 1 H8 G 1 -1.254 0.111 -4.453 9 H1 G 1 H1 G 1 4.053 2.333 -1.582 10 1H2 G 1 2H2 G 1 5.778 0.992 -2.048 11 2H2 G 1 1H2 G 1 5.597 -0.384 -3.139 12 H5T G 1 H5' G 1 -2.102 -3.036 -2.817 13 1H5* G 2 1H5' G 2 2.566 -5.457 -2.657 14 2H5* G 2 2H5' G 2 2.425 -6.287 -1.100 15 H4* G 2 H4' G 2 4.509 -4.920 -1.408 16 H3* G 2 H3' G 2 2.656 -4.155 0.860 17 H2* G 2 H2' G 2 4.395 -2.623 1.535 18 2HO* G 2 HO2' G 2 6.048 -4.293 0.837 19 H1* G 2 H1' G 2 4.961 -1.752 -1.014 20 H8 G 2 H8 G 2 1.209 -1.870 -0.906 21 H1 G 2 H1 G 2 3.744 2.970 2.519 22 1H2 G 2 2H2 G 2 5.926 2.535 2.904 23 2H2 G 2 1H2 G 2 6.687 1.121 2.174 24 1H5* U 3 1H5' U 3 6.467 -4.379 2.747 25 2H5* U 3 2H5' U 3 6.295 -5.180 4.316 26 H4* U 3 H4' U 3 7.196 -2.829 4.449 27 H3* U 3 H3' U 3 4.618 -3.555 5.837 28 H2* U 3 H2' U 3 4.447 -1.360 6.663 29 2HO* U 3 HO2' U 3 6.616 -1.198 7.375 30 H1* U 3 H1' U 3 5.571 -0.077 4.443 31 H3 U 3 H3 U 3 1.444 1.767 4.878 32 H5 U 3 H5 U 3 0.736 -1.976 3.112 33 H6 U 3 H6 U 3 3.053 -2.570 3.505 34 1H5* G 4 1H5' G 4 5.303 -2.465 10.817 35 2H5* G 4 2H5' G 4 4.026 -2.562 9.605 36 H4* G 4 H4' G 4 5.623 -0.070 10.333 37 H3* G 4 H3' G 4 2.856 -1.104 10.976 38 H2* G 4 H2' G 4 1.943 1.069 10.819 39 2HO* G 4 HO2' G 4 3.854 2.066 11.877 40 H1* G 4 H1' G 4 3.212 1.796 8.523 41 H8 G 4 H8 G 4 2.626 -1.951 8.251 42 H1 G 4 H1 G 4 -2.459 1.518 6.452 43 1H2 G 4 2H2 G 4 -2.201 3.654 7.048 44 2H2 G 4 1H2 G 4 -0.773 4.198 7.887 45 1H5* A 5 1H5' A 5 3.615 1.836 15.947 46 2H5* A 5 2H5' A 5 2.237 2.365 14.962 47 H4* A 5 H4' A 5 4.980 3.699 15.148 48 H3* A 5 H3' A 5 2.226 4.254 16.220 49 H2* A 5 H2' A 5 2.337 6.565 15.736 50 2HO* A 5 HO2' A 5 4.745 6.453 16.310 51 H1* A 5 H1' A 5 3.291 6.326 13.226 52 H8 A 5 H8 A 5 1.423 3.207 13.047 53 1H6 A 5 1H6 A 5 -3.719 6.616 12.404 54 2H6 A 5 2H6 A 5 -3.039 5.006 12.191 55 H2 A 5 H2 A 5 -0.571 9.249 13.994 56 1H5* A 6 1H5' A 6 3.048 7.081 18.305 57 2H5* A 6 2H5' A 6 2.516 6.863 19.984 58 H4* A 6 H4' A 6 1.178 8.559 18.773 59 H3* A 6 H3' A 6 -0.302 6.041 19.579 60 H2* A 6 H2' A 6 -2.306 7.154 18.787 61 2HO* A 6 HO2' A 6 -1.383 9.252 19.648 62 H1* A 6 H1' A 6 -1.180 8.095 16.495 63 H8 A 6 H8 A 6 0.263 4.622 16.972 64 1H6 A 6 1H6 A 6 -5.042 2.705 14.300 65 2H6 A 6 2H6 A 6 -3.427 2.156 14.727 66 H2 A 6 H2 A 6 -5.572 6.871 15.484 67 1H5* G 7 1H5' G 7 -3.210 8.234 20.860 68 2H5* G 7 2H5' G 7 -3.705 7.701 22.478 69 H4* G 7 H4' G 7 -5.474 7.305 20.812 70 H3* G 7 H3' G 7 -4.194 4.815 21.965 71 H2* G 7 H2' G 7 -5.898 3.567 20.781 72 2HO* G 7 HO2' G 7 -7.515 5.289 21.223 73 H1* G 7 H1' G 7 -5.612 4.952 18.450 74 H8 G 7 H8 G 7 -2.156 4.519 20.089 75 H1 G 7 H1 G 7 -4.303 -0.701 17.015 76 1H2 G 7 2H2 G 7 -6.535 -0.519 16.744 77 2H2 G 7 1H2 G 7 -7.365 0.996 17.102 78 1H5* G 8 1H5' G 8 -8.576 4.467 22.527 79 2H5* G 8 2H5' G 8 -8.860 3.704 24.100 80 H4* G 8 H4' G 8 -9.955 2.511 22.201 81 H3* G 8 H3' G 8 -7.828 1.034 23.769 82 H2* G 8 H2' G 8 -8.437 -0.921 22.487 83 2HO* G 8 HO2' G 8 -10.760 -0.209 22.573 84 H1* G 8 H1' G 8 -8.584 0.390 20.087 85 H8 G 8 H8 G 8 -5.577 1.832 21.903 86 H1 G 8 H1 G 8 -4.528 -4.008 19.424 87 1H2 G 8 2H2 G 8 -6.505 -5.038 19.128 88 2H2 G 8 1H2 G 8 -8.022 -4.152 19.320 89 1H5* C 9 1H5' C 9 -11.365 -1.567 23.855 90 2H5* C 9 2H5' C 9 -11.455 -2.346 25.446 91 H4* C 9 H4' C 9 -11.298 -3.967 23.547 92 H3* C 9 H3' C 9 -9.016 -3.934 25.542 93 H2* C 9 H2' C 9 -8.154 -5.865 24.376 94 2HO* C 9 HO2' C 9 -10.509 -6.554 24.016 95 H1* C 9 H1' C 9 -8.635 -4.864 21.865 96 1H4 C 9 2H4 C 9 -2.577 -3.599 22.871 97 2H4 C 9 1H4 C 9 -2.933 -2.065 23.670 98 H5 C 9 H5 C 9 -5.273 -1.442 24.255 99 H6 C 9 H6 C 9 -7.576 -2.130 24.068 100 1H5* U 10 1H5' U 10 -9.665 -8.075 25.177 101 2H5* U 10 2H5' U 10 -9.701 -8.771 26.804 102 H4* U 10 H4' U 10 -7.911 -9.796 25.478 103 H3* U 10 H3' U 10 -6.909 -7.946 27.680 104 H2* U 10 H2' U 10 -4.729 -8.794 27.203 105 2HO* U 10 HO2' U 10 -5.691 -10.999 26.825 106 H1* U 10 H1' U 10 -5.079 -8.703 24.452 107 H3 U 10 H3 U 10 -1.973 -5.499 25.465 108 H5 U 10 H5 U 10 -5.594 -3.843 26.803 109 H6 U 10 H6 U 10 -6.709 -5.907 26.229 110 H3T U 10 HO3' U 10 -8.108 -9.725 28.418 111 1H5* G 11 1H5' G 11 3.245 -11.729 20.068 112 2H5* G 11 2H5' G 11 2.711 -12.364 18.505 113 H4* G 11 H4' G 11 1.058 -13.109 19.962 114 H3* G 11 H3' G 11 0.034 -10.486 18.813 115 H2* G 11 H2' G 11 -2.023 -10.936 19.871 116 2HO* G 11 HO2' G 11 -1.772 -13.308 19.497 117 H1* G 11 H1' G 11 -0.860 -11.493 22.275 118 H8 G 11 H8 G 11 1.688 -9.091 21.423 119 H1 G 11 H1 G 11 -3.962 -6.102 22.104 120 1H2 G 11 2H2 G 11 -5.624 -7.574 21.835 121 2H2 G 11 1H2 G 11 -5.297 -9.293 21.596 122 H5T G 11 H5' G 11 1.990 -10.375 17.906 123 1H5* C 12 1H5' C 12 -2.777 -12.503 17.037 124 2H5* C 12 2H5' C 12 -2.962 -12.074 15.328 125 H4* C 12 H4' C 12 -4.891 -11.398 16.747 126 H3* C 12 H3' C 12 -3.317 -9.118 15.517 127 H2* C 12 H2' C 12 -5.108 -7.717 16.326 128 2HO* C 12 HO2' C 12 -6.736 -9.398 15.819 129 H1* C 12 H1' C 12 -5.255 -8.952 18.785 130 1H4 C 12 2H4 C 12 -1.770 -3.708 19.434 131 2H4 C 12 1H4 C 12 -0.274 -4.572 19.084 132 H5 C 12 H5 C 12 -0.308 -6.946 18.327 133 H6 C 12 H6 C 12 -1.746 -8.833 17.862 134 1H5* C 13 1H5' C 13 -7.521 -8.662 14.316 135 2H5* C 13 2H5' C 13 -7.629 -7.862 12.740 136 H4* C 13 H4' C 13 -8.749 -6.677 14.706 137 H3* C 13 H3' C 13 -6.659 -5.206 13.079 138 H2* C 13 H2' C 13 -7.232 -3.272 14.407 139 2HO* C 13 HO2' C 13 -9.564 -4.057 14.401 140 H1* C 13 H1' C 13 -7.352 -4.625 16.793 141 1H4 C 13 2H4 C 13 -1.727 -1.883 16.818 142 2H4 C 13 1H4 C 13 -0.937 -3.280 16.079 143 H5 C 13 H5 C 13 -2.294 -5.207 15.223 144 H6 C 13 H6 C 13 -4.547 -6.049 14.971 145 1H5* G 14 1H5' G 14 -9.364 -2.156 13.501 146 2H5* G 14 2H5' G 14 -9.630 -1.363 11.942 147 H4* G 14 H4' G 14 -8.675 0.168 13.651 148 H3* G 14 H3' G 14 -7.090 -0.431 11.157 149 H2* G 14 H2' G 14 -5.374 1.064 11.909 150 2HO* G 14 HO2' G 14 -7.276 2.464 12.736 151 H1* G 14 H1' G 14 -5.501 0.410 14.601 152 H8 G 14 H8 G 14 -5.700 -2.708 12.381 153 H1 G 14 H1 G 14 0.292 -0.856 13.766 154 1H2 G 14 1H2 G 14 0.305 1.097 14.610 155 2H2 G 14 2H2 G 14 -1.133 2.037 14.986 156 1H5* A 15 1H5' A 15 -7.246 3.974 11.652 157 2H5* A 15 2H5' A 15 -8.050 4.635 10.222 158 H4* A 15 H4' A 15 -5.978 5.850 10.809 159 H3* A 15 H3' A 15 -6.798 5.214 8.286 160 H2* A 15 H2' A 15 -5.584 3.303 7.916 161 2HO* A 15 HO2' A 15 -4.426 5.294 6.738 162 H1* A 15 H1' A 15 -3.133 4.193 9.382 163 H8 A 15 H8 A 15 -5.561 1.289 8.581 164 1H6 A 15 1H6 A 15 -0.784 -2.228 10.388 165 2H6 A 15 2H6 A 15 -2.357 -2.250 9.595 166 H2 A 15 H2 A 15 0.102 1.920 11.553 167 1H5* A 16 1H5' A 16 -3.403 9.508 6.390 168 2H5* A 16 2H5' A 16 -2.965 8.089 7.358 169 H4* A 16 H4' A 16 -3.503 10.853 8.529 170 H3* A 16 H3' A 16 -1.008 9.544 7.504 171 H2* A 16 H2' A 16 0.266 10.112 9.422 172 2HO* A 16 HO2' A 16 -1.049 12.217 9.510 173 H1* A 16 H1' A 16 -1.537 9.338 11.271 174 H8 A 16 H8 A 16 -2.684 6.744 9.081 175 1H6 A 16 1H6 A 16 2.664 3.725 10.041 176 2H6 A 16 2H6 A 16 1.052 3.558 9.354 177 H2 A 16 H2 A 16 3.226 7.886 11.344 178 1H5* G 17 1H5' G 17 1.234 12.195 8.253 179 2H5* G 17 2H5' G 17 2.147 12.835 6.870 180 H4* G 17 H4' G 17 3.574 11.540 8.446 181 H3* G 17 H3' G 17 3.203 10.385 5.673 182 H2* G 17 H2' G 17 4.756 8.649 6.298 183 2HO* G 17 HO2' G 17 5.989 10.354 7.581 184 H1* G 17 H1' G 17 3.726 8.238 8.796 185 H8 G 17 H8 G 17 0.774 8.808 6.468 186 H1 G 17 H1 G 17 3.223 2.875 6.182 187 1H2 G 17 2H2 G 17 5.196 2.820 7.195 188 2H2 G 17 1H2 G 17 5.850 4.252 7.981 189 1H5* C 18 1H5' C 18 7.459 10.246 6.327 190 2H5* C 18 2H5' C 18 8.293 10.717 4.835 191 H4* C 18 H4' C 18 8.886 8.414 5.565 192 H3* C 18 H3' C 18 7.358 8.678 2.963 193 H2* C 18 H2' C 18 7.713 6.316 2.657 194 2HO* C 18 HO2' C 18 9.936 6.566 3.606 195 H1* C 18 H1' C 18 7.210 5.662 5.297 196 1H4 C 18 2H4 C 18 1.654 4.471 2.545 197 2H4 C 18 1H4 C 18 1.171 6.159 2.654 198 H5 C 18 H5 C 18 2.782 7.938 3.253 199 H6 C 18 H6 C 18 5.008 8.357 4.071 200 1H5* C 19 1H5' C 19 11.047 6.362 2.028 201 2H5* C 19 2H5' C 19 11.674 6.997 0.494 202 H4* C 19 H4' C 19 11.296 4.544 0.388 203 H3* C 19 H3' C 19 9.560 6.307 -1.359 204 H2* C 19 H2' C 19 8.560 4.361 -2.249 205 2HO* C 19 HO2' C 19 10.604 3.262 -2.526 206 H1* C 19 H1' C 19 8.626 2.866 0.118 207 1H4 C 19 2H4 C 19 2.585 4.529 -0.472 208 2H4 C 19 1H4 C 19 2.874 6.159 0.141 209 H5 C 19 H5 C 19 5.188 6.999 0.506 210 H6 C 19 H6 C 19 7.522 6.372 0.464 211 H2* PR5 20 H2' P5P 20 5.658 3.232 -6.894 212 2HO* PR5 20 HO2' P5P 20 6.331 1.044 -6.758 213 H1* PR5 20 H1' P5P 20 6.178 1.936 -4.549 214 H4* PR5 20 H4' P5P 20 9.325 2.995 -5.745 215 1H5* PR5 20 1H5' P5P 20 9.643 5.583 -5.874 216 2H5* PR5 20 2H5' P5P 20 8.662 5.635 -4.398 217 H3* PR5 20 H3' P5P 20 7.198 5.018 -6.491 218 H3T PR5 20 HO3' P5P 20 8.314 2.974 -8.065 219 H8 PR5 20 H8 P5P 20 6.691 5.325 -3.243 220 H3 PR5 20 H2 P5P 20 1.549 2.640 -6.037 221 H6 PR5 20 H6 P5P 20 1.741 5.998 -3.603 Start of MODEL 4 1 1H5* G 1 1H5' G 1 0.101 -6.529 -4.345 2 2H5* G 1 2H5' G 1 0.796 -7.603 -3.123 3 H4* G 1 H4' G 1 2.657 -6.930 -4.343 4 H3* G 1 H3' G 1 2.455 -5.017 -1.990 5 H2* G 1 H2' G 1 4.559 -4.162 -2.625 6 2HO* G 1 HO2' G 1 5.294 -6.323 -3.407 7 H1* G 1 H1' G 1 3.783 -3.771 -5.201 8 H8 G 1 H8 G 1 0.421 -3.300 -3.992 9 H1 G 1 H1 G 1 4.177 1.351 -1.628 10 1H2 G 1 2H2 G 1 6.315 0.727 -1.753 11 2H2 G 1 1H2 G 1 6.782 -0.811 -2.485 12 H5T G 1 H5' G 1 0.612 -6.025 -1.591 13 1H5* G 2 1H5' G 2 5.801 -6.361 -0.746 14 2H5* G 2 2H5' G 2 5.784 -6.831 0.960 15 H4* G 2 H4' G 2 7.282 -4.908 0.414 16 H3* G 2 H3' G 2 5.000 -4.357 2.327 17 H2* G 2 H2' G 2 6.061 -2.210 2.679 18 2HO* G 2 HO2' G 2 8.237 -3.312 2.483 19 H1* G 2 H1' G 2 6.595 -1.785 0.012 20 H8 G 2 H8 G 2 3.117 -3.223 0.064 21 H1 G 2 H1 G 2 3.458 2.869 2.159 22 1H2 G 2 2H2 G 2 5.606 3.369 2.637 23 2H2 G 2 1H2 G 2 6.872 2.177 2.348 24 1H5* U 3 1H5' U 3 8.414 -2.806 4.363 25 2H5* U 3 2H5' U 3 8.319 -3.276 6.067 26 H4* U 3 H4' U 3 8.426 -0.798 5.718 27 H3* U 3 H3' U 3 5.980 -1.991 7.031 28 H2* U 3 H2' U 3 5.161 0.194 7.370 29 2HO* U 3 HO2' U 3 7.123 1.083 8.141 30 H1* U 3 H1' U 3 6.126 1.260 4.972 31 H3 U 3 H3 U 3 1.581 1.781 4.834 32 H5 U 3 H5 U 3 2.186 -2.295 4.058 33 H6 U 3 H6 U 3 4.537 -2.027 4.584 34 1H5* G 4 1H5' G 4 5.555 0.034 11.682 35 2H5* G 4 2H5' G 4 4.578 -0.522 10.315 36 H4* G 4 H4' G 4 5.496 2.350 10.777 37 H3* G 4 H3' G 4 2.903 0.869 11.239 38 H2* G 4 H2' G 4 1.670 2.824 10.554 39 2HO* G 4 HO2' G 4 3.159 4.375 11.506 40 H1* G 4 H1' G 4 3.079 3.212 8.291 41 H8 G 4 H8 G 4 3.399 -0.500 8.545 42 H1 G 4 H1 G 4 -2.516 1.280 6.789 43 1H2 G 4 2H2 G 4 -2.813 3.448 7.203 44 2H2 G 4 1H2 G 4 -1.549 4.458 7.847 45 1H5* A 5 1H5' A 5 1.660 3.482 15.768 46 2H5* A 5 2H5' A 5 0.443 4.129 14.670 47 H4* A 5 H4' A 5 3.442 4.657 14.587 48 H3* A 5 H3' A 5 1.018 6.106 15.509 49 H2* A 5 H2' A 5 1.234 8.021 14.247 50 2HO* A 5 HO2' A 5 3.534 8.280 14.650 51 H1* A 5 H1' A 5 2.002 6.973 11.898 52 H8 A 5 H8 A 5 0.194 4.085 12.170 53 1H6 A 5 1H6 A 5 -5.176 7.074 11.642 54 2H6 A 5 2H6 A 5 -4.359 5.520 11.604 55 H2 A 5 H2 A 5 -2.087 10.035 12.953 56 1H5* A 6 1H5' A 6 0.563 7.935 18.878 57 2H5* A 6 2H5' A 6 0.412 6.624 17.684 58 H4* A 6 H4' A 6 -0.946 9.350 17.444 59 H3* A 6 H3' A 6 -1.955 6.670 18.440 60 H2* A 6 H2' A 6 -4.111 7.257 17.522 61 2HO* A 6 HO2' A 6 -3.666 9.586 18.156 62 H1* A 6 H1' A 6 -3.117 8.128 15.148 63 H8 A 6 H8 A 6 -0.884 5.245 16.104 64 1H6 A 6 1H6 A 6 -5.436 1.575 14.002 65 2H6 A 6 2H6 A 6 -3.730 1.579 14.406 66 H2 A 6 H2 A 6 -7.059 5.628 14.366 67 1H5* G 7 1H5' G 7 -5.219 8.165 19.483 68 2H5* G 7 2H5' G 7 -5.646 7.707 21.143 69 H4* G 7 H4' G 7 -7.198 6.734 19.485 70 H3* G 7 H3' G 7 -5.454 4.768 20.985 71 H2* G 7 H2' G 7 -6.752 3.020 19.929 72 2HO* G 7 HO2' G 7 -8.746 4.349 20.097 73 H1* G 7 H1' G 7 -6.659 4.134 17.441 74 H8 G 7 H8 G 7 -3.277 4.843 19.029 75 H1 G 7 H1 G 7 -3.972 -1.242 17.067 76 1H2 G 7 2H2 G 7 -6.177 -1.684 16.820 77 2H2 G 7 1H2 G 7 -7.365 -0.385 16.924 78 1H5* G 8 1H5' G 8 -9.678 3.520 21.475 79 2H5* G 8 2H5' G 8 -9.889 2.926 23.131 80 H4* G 8 H4' G 8 -10.578 1.281 21.378 81 H3* G 8 H3' G 8 -8.307 0.541 23.235 82 H2* G 8 H2' G 8 -8.359 -1.650 22.224 83 2HO* G 8 HO2' G 8 -10.786 -1.481 22.096 84 H1* G 8 H1' G 8 -8.601 -0.744 19.654 85 H8 G 8 H8 G 8 -6.165 1.601 21.390 86 H1 G 8 H1 G 8 -3.593 -4.064 19.765 87 1H2 G 8 2H2 G 8 -5.244 -5.566 19.501 88 2H2 G 8 1H2 G 8 -6.936 -5.060 19.499 89 1H5* C 9 1H5' C 9 -11.138 -2.784 23.552 90 2H5* C 9 2H5' C 9 -11.168 -3.341 25.236 91 H4* C 9 H4' C 9 -10.471 -5.114 23.620 92 H3* C 9 H3' C 9 -8.423 -4.228 25.671 93 H2* C 9 H2' C 9 -7.023 -6.013 24.845 94 2HO* C 9 HO2' C 9 -9.102 -7.326 24.507 95 H1* C 9 H1' C 9 -7.552 -5.527 22.193 96 1H4 C 9 2H4 C 9 -2.083 -2.636 23.238 97 2H4 C 9 1H4 C 9 -2.863 -1.158 23.809 98 H5 C 9 H5 C 9 -5.320 -1.082 24.208 99 H6 C 9 H6 C 9 -7.362 -2.349 24.027 100 1H5* U 10 1H5' U 10 -7.972 -8.393 25.924 101 2H5* U 10 2H5' U 10 -7.973 -8.842 27.636 102 H4* U 10 H4' U 10 -5.874 -9.536 26.579 103 H3* U 10 H3' U 10 -5.567 -7.195 28.503 104 H2* U 10 H2' U 10 -3.211 -7.497 28.271 105 2HO* U 10 HO2' U 10 -3.548 -9.909 28.206 106 H1* U 10 H1' U 10 -3.331 -7.895 25.528 107 H3 U 10 H3 U 10 -1.233 -3.878 26.163 108 H5 U 10 H5 U 10 -5.259 -3.056 27.034 109 H6 U 10 H6 U 10 -5.763 -5.400 26.748 110 H3T U 10 HO3' U 10 -6.338 -9.102 29.458 111 1H5* G 11 1H5' G 11 5.729 -9.416 22.273 112 2H5* G 11 2H5' G 11 5.500 -10.429 20.840 113 H4* G 11 H4' G 11 3.946 -11.293 22.340 114 H3* G 11 H3' G 11 2.442 -9.245 20.669 115 H2* G 11 H2' G 11 0.463 -10.002 21.694 116 2HO* G 11 HO2' G 11 1.300 -12.266 21.794 117 H1* G 11 H1' G 11 1.501 -9.824 24.213 118 H8 G 11 H8 G 11 3.480 -7.051 23.069 119 H1 G 11 H1 G 11 -2.749 -5.486 22.810 120 1H2 G 11 2H2 G 11 -3.985 -7.348 22.723 121 2H2 G 11 1H2 G 11 -3.243 -8.947 22.836 122 H5T G 11 H5' G 11 4.382 -8.817 19.840 123 1H5* C 12 1H5' C 12 0.302 -12.117 19.259 124 2H5* C 12 2H5' C 12 0.193 -12.105 17.491 125 H4* C 12 H4' C 12 -1.971 -11.649 18.613 126 H3* C 12 H3' C 12 -0.828 -9.333 17.025 127 H2* C 12 H2' C 12 -2.972 -8.278 17.404 128 2HO* C 12 HO2' C 12 -4.102 -10.385 17.178 129 H1* C 12 H1' C 12 -3.095 -9.016 20.058 130 1H4 C 12 2H4 C 12 -0.954 -3.080 19.885 131 2H4 C 12 1H4 C 12 0.727 -3.605 19.814 132 H5 C 12 H5 C 12 1.304 -6.017 19.534 133 H6 C 12 H6 C 12 0.379 -8.242 19.356 134 1H5* C 13 1H5' C 13 -4.880 -10.100 15.538 135 2H5* C 13 2H5' C 13 -4.953 -9.742 13.806 136 H4* C 13 H4' C 13 -6.556 -8.407 15.226 137 H3* C 13 H3' C 13 -4.462 -6.888 13.648 138 H2* C 13 H2' C 13 -5.605 -4.910 14.336 139 2HO* C 13 HO2' C 13 -7.731 -5.679 14.041 140 H1* C 13 H1' C 13 -6.055 -5.763 16.926 141 1H4 C 13 2H4 C 13 -1.213 -1.724 17.030 142 2H4 C 13 1H4 C 13 -0.035 -2.965 16.592 143 H5 C 13 H5 C 13 -0.771 -5.285 16.026 144 H6 C 13 H6 C 13 -2.706 -6.718 15.775 145 1H5* G 14 1H5' G 14 -7.402 -3.701 10.606 146 2H5* G 14 2H5' G 14 -5.729 -3.729 11.175 147 H4* G 14 H4' G 14 -8.125 -2.682 12.731 148 H3* G 14 H3' G 14 -6.215 -1.440 10.867 149 H2* G 14 H2' G 14 -5.123 0.034 12.331 150 2HO* G 14 HO2' G 14 -7.582 0.309 13.156 151 H1* G 14 H1' G 14 -5.288 -1.281 14.728 152 H8 G 14 H8 G 14 -4.324 -4.179 12.678 153 H1 G 14 H1 G 14 0.694 -0.415 14.033 154 1H2 G 14 1H2 G 14 0.007 1.594 14.619 155 2H2 G 14 2H2 G 14 -1.674 2.032 14.795 156 1H5* A 15 1H5' A 15 -7.367 2.318 12.106 157 2H5* A 15 2H5' A 15 -8.443 2.988 10.868 158 H4* A 15 H4' A 15 -6.645 4.546 11.335 159 H3* A 15 H3' A 15 -7.383 3.897 8.774 160 H2* A 15 H2' A 15 -5.867 2.194 8.360 161 2HO* A 15 HO2' A 15 -4.897 4.646 7.598 162 H1* A 15 H1' A 15 -3.569 3.571 9.730 163 H8 A 15 H8 A 15 -5.401 0.236 9.002 164 1H6 A 15 1H6 A 15 0.055 -2.297 10.513 165 2H6 A 15 2H6 A 15 -1.531 -2.636 9.824 166 H2 A 15 H2 A 15 0.192 1.920 11.689 167 1H5* A 16 1H5' A 16 -7.461 9.252 8.930 168 2H5* A 16 2H5' A 16 -7.123 9.368 7.199 169 H4* A 16 H4' A 16 -5.774 10.896 8.702 170 H3* A 16 H3' A 16 -4.271 8.967 6.905 171 H2* A 16 H2' A 16 -2.318 10.240 7.574 172 2HO* A 16 HO2' A 16 -3.679 12.270 7.647 173 H1* A 16 H1' A 16 -2.942 10.176 10.220 174 H8 A 16 H8 A 16 -4.006 6.887 8.611 175 1H6 A 16 1H6 A 16 1.986 5.277 9.253 176 2H6 A 16 2H6 A 16 0.420 4.628 8.794 177 H2 A 16 H2 A 16 1.656 9.555 10.070 178 1H5* G 17 1H5' G 17 -2.151 12.272 6.148 179 2H5* G 17 2H5' G 17 -1.748 12.440 4.434 180 H4* G 17 H4' G 17 0.216 12.196 6.022 181 H3* G 17 H3' G 17 -0.113 10.219 3.760 182 H2* G 17 H2' G 17 2.057 9.344 4.416 183 2HO* G 17 HO2' G 17 2.756 11.616 4.976 184 H1* G 17 H1' G 17 1.516 9.330 7.093 185 H8 G 17 H8 G 17 -1.706 8.300 5.362 186 H1 G 17 H1 G 17 2.725 3.637 5.609 187 1H2 G 17 1H2 G 17 4.652 4.463 6.268 188 2H2 G 17 2H2 G 17 4.824 6.166 6.681 189 1H5* C 18 1H5' C 18 3.944 11.838 3.607 190 2H5* C 18 2H5' C 18 4.448 12.064 1.925 191 H4* C 18 H4' C 18 5.954 10.540 3.221 192 H3* C 18 H3' C 18 4.452 9.362 0.870 193 H2* C 18 H2' C 18 5.812 7.386 1.194 194 2HO* C 18 HO2' C 18 7.700 8.771 1.769 195 H1* C 18 H1' C 18 5.539 7.383 3.928 196 1H4 C 18 2H4 C 18 1.030 3.391 1.904 197 2H4 C 18 1H4 C 18 -0.110 4.718 1.733 198 H5 C 18 H5 C 18 0.585 7.073 1.878 199 H6 C 18 H6 C 18 2.417 8.540 2.389 200 1H5* C 19 1H5' C 19 8.745 8.670 0.113 201 2H5* C 19 2H5' C 19 9.051 8.863 -1.624 202 H4* C 19 H4' C 19 9.731 6.627 -0.780 203 H3* C 19 H3' C 19 7.408 6.646 -2.733 204 H2* C 19 H2' C 19 7.636 4.229 -2.745 205 2HO* C 19 HO2' C 19 10.066 4.535 -2.508 206 H1* C 19 H1' C 19 7.884 4.051 -0.017 207 1H4 C 19 2H4 C 19 1.781 3.039 -1.146 208 2H4 C 19 1H4 C 19 1.386 4.758 -1.025 209 H5 C 19 H5 C 19 3.191 6.477 -0.951 210 H6 C 19 H6 C 19 5.576 6.786 -0.825 211 H2* PR5 20 H2' P5P 20 5.689 1.807 -7.182 212 2HO* PR5 20 HO2' P5P 20 6.348 -0.339 -6.706 213 H1* PR5 20 H1' P5P 20 6.165 0.788 -4.657 214 H4* PR5 20 H4' P5P 20 9.167 1.698 -5.680 215 1H5* PR5 20 1H5' P5P 20 9.898 3.664 -4.394 216 2H5* PR5 20 2H5' P5P 20 10.032 3.960 -6.137 217 H3* PR5 20 H3' P5P 20 7.210 3.636 -6.963 218 H3T PR5 20 HO3' P5P 20 8.409 1.371 -8.100 219 H8 PR5 20 H8 P5P 20 6.124 4.548 -4.259 220 H3 PR5 20 H2 P5P 20 1.601 0.215 -5.746 221 H6 PR5 20 H6 P5P 20 1.135 4.074 -4.287 Start of MODEL 5 1 1H5* G 1 1H5' G 1 3.825 -6.791 -5.148 2 2H5* G 1 2H5' G 1 4.388 -7.563 -3.657 3 H4* G 1 H4' G 1 6.099 -6.051 -4.378 4 H3* G 1 H3' G 1 4.530 -4.891 -2.058 5 H2* G 1 H2' G 1 6.177 -3.154 -1.978 6 2HO* G 1 HO2' G 1 7.913 -4.714 -2.624 7 H1* G 1 H1' G 1 6.061 -2.673 -4.660 8 H8 G 1 H8 G 1 2.532 -3.641 -4.107 9 H1 G 1 H1 G 1 3.915 1.997 -1.327 10 1H2 G 1 2H2 G 1 6.158 2.210 -1.129 11 2H2 G 1 1H2 G 1 7.211 1.009 -1.858 12 H5T G 1 H5' G 1 3.036 -6.226 -2.475 13 1H5* G 2 1H5' G 2 8.414 -4.708 -0.701 14 2H5* G 2 2H5' G 2 8.535 -5.231 0.986 15 H4* G 2 H4' G 2 9.392 -2.913 0.532 16 H3* G 2 H3' G 2 7.111 -3.260 2.488 17 H2* G 2 H2' G 2 7.347 -0.909 2.966 18 2HO* G 2 HO2' G 2 9.771 -1.160 2.703 19 H1* G 2 H1' G 2 7.638 -0.137 0.354 20 H8 G 2 H8 G 2 4.926 -2.716 0.167 21 H1 G 2 H1 G 2 3.015 2.944 2.595 22 1H2 G 2 2H2 G 2 4.828 4.162 3.146 23 2H2 G 2 1H2 G 2 6.443 3.495 2.918 24 1H5* U 3 1H5' U 3 9.903 -0.775 4.586 25 2H5* U 3 2H5' U 3 9.983 -1.283 6.280 26 H4* U 3 H4' U 3 9.237 1.104 5.936 27 H3* U 3 H3' U 3 7.420 -0.857 7.339 28 H2* U 3 H2' U 3 5.872 0.880 7.693 29 2HO* U 3 HO2' U 3 7.368 2.461 8.379 30 H1* U 3 H1' U 3 6.286 2.185 5.266 31 H3 U 3 H3 U 3 1.896 1.016 5.207 32 H5 U 3 H5 U 3 3.943 -2.538 4.296 33 H6 U 3 H6 U 3 6.029 -1.447 4.859 34 1H5* G 4 1H5' G 4 6.834 1.892 12.032 35 2H5* G 4 2H5' G 4 6.001 0.561 11.232 36 H4* G 4 H4' G 4 5.580 3.537 10.762 37 H3* G 4 H3' G 4 4.028 1.276 12.015 38 H2* G 4 H2' G 4 1.987 2.003 11.097 39 2HO* G 4 HO2' G 4 2.486 4.296 11.545 40 H1* G 4 H1' G 4 2.901 2.653 8.594 41 H8 G 4 H8 G 4 4.850 -0.400 9.834 42 H1 G 4 H1 G 4 -0.568 -1.877 6.730 43 1H2 G 4 2H2 G 4 -1.811 -0.064 6.431 44 2H2 G 4 1H2 G 4 -1.282 1.518 6.964 45 1H5* A 5 1H5' A 5 3.550 5.928 12.657 46 2H5* A 5 2H5' A 5 3.353 6.098 14.415 47 H4* A 5 H4' A 5 2.181 7.896 13.158 48 H3* A 5 H3' A 5 0.607 5.963 14.852 49 H2* A 5 H2' A 5 -1.398 7.041 14.269 50 2HO* A 5 HO2' A 5 -0.592 9.175 14.593 51 H1* A 5 H1' A 5 -0.796 7.598 11.642 52 H8 A 5 H8 A 5 0.276 4.031 12.435 53 1H6 A 5 2H6 A 5 -5.445 2.476 10.689 54 2H6 A 5 1H6 A 5 -3.818 1.876 10.994 55 H2 A 5 H2 A 5 -5.378 6.861 11.275 56 1H5* A 6 1H5' A 6 -1.995 8.483 18.396 57 2H5* A 6 2H5' A 6 -2.002 6.991 17.444 58 H4* A 6 H4' A 6 -3.378 9.604 16.682 59 H3* A 6 H3' A 6 -4.260 6.951 17.801 60 H2* A 6 H2' A 6 -6.165 6.860 16.374 61 2HO* A 6 HO2' A 6 -6.343 9.312 16.640 62 H1* A 6 H1' A 6 -4.895 7.575 14.098 63 H8 A 6 H8 A 6 -2.145 5.656 15.767 64 1H6 A 6 1H6 A 6 -5.127 0.587 13.787 65 2H6 A 6 2H6 A 6 -3.596 1.134 14.464 66 H2 A 6 H2 A 6 -7.879 3.941 13.397 67 1H5* G 7 1H5' G 7 -7.837 7.717 18.024 68 2H5* G 7 2H5' G 7 -8.466 7.413 19.655 69 H4* G 7 H4' G 7 -9.365 5.803 18.028 70 H3* G 7 H3' G 7 -7.474 4.633 20.082 71 H2* G 7 H2' G 7 -8.052 2.462 19.176 72 2HO* G 7 HO2' G 7 -10.322 3.211 18.813 73 H1* G 7 H1' G 7 -7.794 3.219 16.572 74 H8 G 7 H8 G 7 -5.105 5.081 18.516 75 H1 G 7 H1 G 7 -3.684 -1.084 17.362 76 1H2 G 7 2H2 G 7 -5.579 -2.189 16.839 77 2H2 G 7 1H2 G 7 -7.089 -1.314 16.587 78 1H5* G 8 1H5' G 8 -11.164 2.224 20.132 79 2H5* G 8 2H5' G 8 -11.538 1.820 21.815 80 H4* G 8 H4' G 8 -11.362 -0.176 20.319 81 H3* G 8 H3' G 8 -9.432 0.096 22.631 82 H2* G 8 H2' G 8 -8.616 -2.100 22.079 83 2HO* G 8 HO2' G 8 -10.916 -2.740 21.551 84 H1* G 8 H1' G 8 -8.615 -1.719 19.357 85 H8 G 8 H8 G 8 -7.292 1.485 20.909 86 H1 G 8 H1 G 8 -2.957 -3.258 20.597 87 1H2 G 8 2H2 G 8 -4.033 -5.225 20.435 88 2H2 G 8 1H2 G 8 -5.783 -5.280 20.202 89 1H5* C 9 1H5' C 9 -11.216 -3.885 23.125 90 2H5* C 9 2H5' C 9 -11.522 -4.142 24.856 91 H4* C 9 H4' C 9 -9.969 -5.847 23.884 92 H3* C 9 H3' C 9 -8.953 -3.990 26.039 93 H2* C 9 H2' C 9 -6.843 -4.983 25.923 94 2HO* C 9 HO2' C 9 -7.671 -7.157 25.971 95 H1* C 9 H1' C 9 -6.857 -5.568 23.184 96 1H4 C 9 2H4 C 9 -2.744 -0.862 23.800 97 2H4 C 9 1H4 C 9 -3.995 0.362 24.024 98 H5 C 9 H5 C 9 -6.391 -0.297 24.282 99 H6 C 9 H6 C 9 -7.914 -2.173 24.230 100 1H5* U 10 1H5' U 10 -7.053 -5.917 29.795 101 2H5* U 10 2H5' U 10 -6.933 -4.747 28.472 102 H4* U 10 H4' U 10 -5.392 -7.366 28.389 103 H3* U 10 H3' U 10 -4.699 -4.785 29.823 104 H2* U 10 H2' U 10 -2.413 -5.097 29.208 105 2HO* U 10 HO2' U 10 -1.730 -7.009 28.139 106 H1* U 10 H1' U 10 -2.969 -5.753 26.589 107 H3 U 10 H3 U 10 -1.130 -1.519 26.916 108 H5 U 10 H5 U 10 -5.272 -0.982 27.330 109 H6 U 10 H6 U 10 -5.545 -3.377 27.406 110 H3T U 10 HO3' U 10 -3.793 -7.388 30.367 111 1H5* G 11 1H5' G 11 6.852 -4.893 24.683 112 2H5* G 11 2H5' G 11 7.182 -6.113 23.445 113 H4* G 11 H4' G 11 5.715 -7.207 24.884 114 H3* G 11 H3' G 11 3.987 -6.014 22.683 115 H2* G 11 H2' G 11 2.170 -7.200 23.603 116 2HO* G 11 HO2' G 11 3.606 -9.045 24.209 117 H1* G 11 H1' G 11 2.686 -6.372 26.154 118 H8 G 11 H8 G 11 3.876 -3.285 24.720 119 H1 G 11 H1 G 11 -2.457 -3.863 23.776 120 1H2 G 11 2H2 G 11 -3.033 -6.020 23.884 121 2H2 G 11 1H2 G 11 -1.848 -7.273 24.266 122 H5T G 11 H5' G 11 5.840 -5.097 22.035 123 1H5* C 12 1H5' C 12 3.242 -9.695 21.479 124 2H5* C 12 2H5' C 12 3.376 -9.871 19.721 125 H4* C 12 H4' C 12 1.045 -10.055 20.569 126 H3* C 12 H3' C 12 1.598 -7.656 18.801 127 H2* C 12 H2' C 12 -0.796 -7.326 18.845 128 2HO* C 12 HO2' C 12 -1.195 -9.682 18.787 129 H1* C 12 H1' C 12 -1.023 -7.793 21.548 130 1H4 C 12 2H4 C 12 -0.795 -1.526 20.769 131 2H4 C 12 1H4 C 12 0.964 -1.499 20.874 132 H5 C 12 H5 C 12 2.279 -3.613 20.930 133 H6 C 12 H6 C 12 2.109 -6.024 20.990 134 1H5* C 13 1H5' C 13 -1.761 -9.874 17.022 135 2H5* C 13 2H5' C 13 -1.757 -9.661 15.263 136 H4* C 13 H4' C 13 -3.843 -8.859 16.464 137 H3* C 13 H3' C 13 -2.266 -6.856 14.824 138 H2* C 13 H2' C 13 -4.088 -5.335 15.270 139 2HO* C 13 HO2' C 13 -5.643 -7.212 15.115 140 H1* C 13 H1' C 13 -4.321 -5.999 17.923 141 1H4 C 13 2H4 C 13 -0.929 -0.701 17.705 142 2H4 C 13 1H4 C 13 0.599 -1.574 17.550 143 H5 C 13 H5 C 13 0.629 -4.059 17.271 144 H6 C 13 H6 C 13 -0.768 -6.019 17.073 145 1H5* G 14 1H5' G 14 -6.030 -5.817 13.584 146 2H5* G 14 2H5' G 14 -6.054 -5.579 11.831 147 H4* G 14 H4' G 14 -6.612 -3.519 13.092 148 H3* G 14 H3' G 14 -3.995 -3.465 11.568 149 H2* G 14 H2' G 14 -3.813 -1.144 12.014 150 2HO* G 14 HO2' G 14 -6.521 -1.248 12.297 151 H1* G 14 H1' G 14 -4.449 -1.441 14.659 152 H8 G 14 H8 G 14 -2.497 -4.539 13.706 153 H1 G 14 H1 G 14 1.288 0.580 14.549 154 1H2 G 14 1H2 G 14 0.131 2.369 14.701 155 2H2 G 14 2H2 G 14 -1.627 2.417 14.662 156 1H5* A 15 1H5' A 15 -7.594 -0.052 10.093 157 2H5* A 15 2H5' A 15 -8.285 -0.123 8.476 158 H4* A 15 H4' A 15 -6.216 1.078 8.355 159 H3* A 15 H3' A 15 -6.544 -1.479 6.915 160 H2* A 15 H2' A 15 -4.574 -2.317 7.487 161 2HO* A 15 HO2' A 15 -4.150 -0.485 5.581 162 H1* A 15 H1' A 15 -3.476 0.400 8.271 163 H8 A 15 H8 A 15 -3.392 -3.423 8.814 164 1H6 A 15 1H6 A 15 1.858 -2.221 11.877 165 2H6 A 15 2H6 A 15 0.866 -3.500 11.181 166 H2 A 15 H2 A 15 -0.162 1.606 11.180 167 1H5* A 16 1H5' A 16 -6.948 3.454 4.261 168 2H5* A 16 2H5' A 16 -5.593 3.008 5.315 169 H4* A 16 H4' A 16 -7.921 4.832 6.084 170 H3* A 16 H3' A 16 -5.155 5.284 5.023 171 H2* A 16 H2' A 16 -4.591 6.906 6.650 172 2HO* A 16 HO2' A 16 -6.968 7.662 6.472 173 H1* A 16 H1' A 16 -5.620 5.657 8.812 174 H8 A 16 H8 A 16 -4.577 2.544 7.261 175 1H6 A 16 1H6 A 16 1.144 3.977 9.223 176 2H6 A 16 2H6 A 16 0.174 2.655 8.575 177 H2 A 16 H2 A 16 -1.193 7.671 9.168 178 1H5* G 17 1H5' G 17 -5.363 9.061 5.359 179 2H5* G 17 2H5' G 17 -5.048 9.869 3.809 180 H4* G 17 H4' G 17 -3.264 10.360 5.434 181 H3* G 17 H3' G 17 -2.489 8.633 3.075 182 H2* G 17 H2' G 17 -0.238 8.616 3.891 183 2HO* G 17 HO2' G 17 -0.581 10.965 4.552 184 H1* G 17 H1' G 17 -0.874 8.315 6.548 185 H8 G 17 H8 G 17 -3.181 6.128 4.424 186 H1 G 17 H1 G 17 2.458 3.425 5.914 187 1H2 G 17 1H2 G 17 3.833 4.963 6.743 188 2H2 G 17 2H2 G 17 3.322 6.638 6.914 189 1H5* C 18 1H5' C 18 0.642 11.620 3.106 190 2H5* C 18 2H5' C 18 0.953 12.086 1.421 191 H4* C 18 H4' C 18 2.969 11.095 2.470 192 H3* C 18 H3' C 18 1.659 9.454 0.288 193 H2* C 18 H2' C 18 3.484 7.939 0.462 194 2HO* C 18 HO2' C 18 5.202 9.376 0.613 195 H1* C 18 H1' C 18 3.663 8.081 3.234 196 1H4 C 18 2H4 C 18 0.497 2.682 2.126 197 2H4 C 18 1H4 C 18 -0.952 3.546 1.629 198 H5 C 18 H5 C 18 -0.977 5.993 1.330 199 H6 C 18 H6 C 18 0.309 8.014 1.611 200 1H5* C 19 1H5' C 19 6.046 10.571 -0.893 201 2H5* C 19 2H5' C 19 6.095 10.553 -2.669 202 H4* C 19 H4' C 19 7.788 9.032 -1.613 203 H3* C 19 H3' C 19 5.624 7.710 -3.279 204 H2* C 19 H2' C 19 6.846 5.638 -2.942 205 2HO* C 19 HO2' C 19 8.922 6.987 -3.041 206 H1* C 19 H1' C 19 7.316 6.110 -0.271 207 1H4 C 19 1H4 C 19 2.162 2.482 -0.230 208 2H4 C 19 2H4 C 19 1.200 3.549 -1.170 209 H5 C 19 H5 C 19 2.044 5.944 -1.608 210 H6 C 19 H6 C 19 4.063 7.246 -1.750 211 H2* PR5 20 H2' P5P 20 5.715 2.006 -7.201 212 2HO* PR5 20 HO2' P5P 20 8.015 1.461 -7.740 213 H1* PR5 20 H1' P5P 20 6.595 1.404 -4.657 214 H4* PR5 20 H4' P5P 20 8.928 3.373 -5.846 215 1H5* PR5 20 1H5' P5P 20 8.863 5.543 -4.637 216 2H5* PR5 20 2H5' P5P 20 8.934 5.733 -6.395 217 H3* PR5 20 H3' P5P 20 6.288 4.322 -7.030 218 H3T PR5 20 HO3' P5P 20 8.076 4.585 -8.399 219 H8 PR5 20 H8 P5P 20 5.142 4.707 -3.948 220 H3 PR5 20 H2 P5P 20 2.448 -0.658 -6.276 221 H6 PR5 20 H6 P5P 20 0.634 2.576 -4.408 Start of MODEL 6 1 1H5* G 1 1H5' G 1 9.961 -5.680 -2.446 2 2H5* G 1 2H5' G 1 9.943 -6.162 -0.740 3 H4* G 1 H4' G 1 11.262 -4.098 -1.138 4 H3* G 1 H3' G 1 8.746 -3.703 0.514 5 H2* G 1 H2' G 1 9.652 -1.510 0.976 6 2HO* G 1 HO2' G 1 11.873 -2.361 1.111 7 H1* G 1 H1' G 1 10.430 -1.084 -1.644 8 H8 G 1 H8 G 1 7.050 -2.700 -1.906 9 H1 G 1 H1 G 1 6.735 3.358 0.236 10 1H2 G 1 2H2 G 1 8.782 4.052 0.810 11 2H2 G 1 1H2 G 1 10.194 3.017 0.581 12 H5T G 1 H5' G 1 7.898 -4.725 -2.087 13 1H5* G 2 1H5' G 2 12.138 -2.351 2.949 14 2H5* G 2 2H5' G 2 11.785 -2.671 4.654 15 H4* G 2 H4' G 2 12.265 -0.254 4.072 16 H3* G 2 H3' G 2 9.634 -0.992 5.367 17 H2* G 2 H2' G 2 9.165 1.356 5.470 18 2HO* G 2 HO2' G 2 11.530 1.752 5.964 19 H1* G 2 H1' G 2 10.096 1.956 2.962 20 H8 G 2 H8 G 2 8.143 -1.266 2.612 21 H1 G 2 H1 G 2 4.445 3.956 3.387 22 1H2 G 2 2H2 G 2 5.686 5.620 4.256 23 2H2 G 2 1H2 G 2 7.426 5.417 4.450 24 1H5* U 3 1H5' U 3 11.015 2.306 7.771 25 2H5* U 3 2H5' U 3 10.581 2.035 9.466 26 H4* U 3 H4' U 3 9.539 4.075 8.351 27 H3* U 3 H3' U 3 7.791 1.988 9.662 28 H2* U 3 H2' U 3 5.887 3.242 9.057 29 2HO* U 3 HO2' U 3 6.708 5.295 9.646 30 H1* U 3 H1' U 3 6.791 4.099 6.587 31 H3 U 3 H3 U 3 3.097 1.655 5.681 32 H5 U 3 H5 U 3 6.173 -1.179 6.131 33 H6 U 3 H6 U 3 7.600 0.563 7.003 34 1H5* G 4 1H5' G 4 5.105 5.532 12.873 35 2H5* G 4 2H5' G 4 4.853 3.838 12.459 36 H4* G 4 H4' G 4 4.134 6.245 10.736 37 H3* G 4 H3' G 4 2.729 5.212 12.859 38 H2* G 4 H2' G 4 2.508 3.018 12.216 39 2HO* G 4 HO2' G 4 0.431 4.622 11.437 40 H1* G 4 H1' G 4 2.024 3.688 9.316 41 H8 G 4 H8 G 4 4.673 2.050 11.547 42 H1 G 4 H1 G 4 1.839 -1.972 7.392 43 1H2 G 4 2H2 G 4 0.258 -0.845 6.240 44 2H2 G 4 1H2 G 4 -0.052 0.852 6.542 45 1H5* A 5 1H5' A 5 0.318 7.688 14.130 46 2H5* A 5 2H5' A 5 0.043 6.154 13.279 47 H4* A 5 H4' A 5 -1.971 8.438 13.408 48 H3* A 5 H3' A 5 -1.386 6.884 15.593 49 H2* A 5 H2' A 5 -1.542 4.858 14.262 50 2HO* A 5 HO2' A 5 -3.353 5.190 16.184 51 H1* A 5 H1' A 5 -4.185 6.038 13.333 52 H8 A 5 H8 A 5 -1.644 3.186 12.720 53 1H6 A 5 1H6 A 5 -5.819 1.129 8.617 54 2H6 A 5 2H6 A 5 -4.275 0.774 9.380 55 H2 A 5 H2 A 5 -7.151 5.094 9.991 56 1H5* A 6 1H5' A 6 -5.818 8.877 15.111 57 2H5* A 6 2H5' A 6 -6.692 8.799 16.648 58 H4* A 6 H4' A 6 -8.214 8.591 14.777 59 H3* A 6 H3' A 6 -7.917 5.962 16.258 60 H2* A 6 H2' A 6 -9.716 5.196 14.858 61 2HO* A 6 HO2' A 6 -10.919 7.211 14.923 62 H1* A 6 H1' A 6 -8.654 6.172 12.566 63 H8 A 6 H8 A 6 -5.895 5.017 14.984 64 1H6 A 6 1H6 A 6 -6.547 -0.484 12.180 65 2H6 A 6 2H6 A 6 -5.568 0.387 13.337 66 H2 A 6 H2 A 6 -9.912 2.048 10.930 67 1H5* G 7 1H5' G 7 -11.629 4.846 15.788 68 2H5* G 7 2H5' G 7 -12.358 4.413 17.335 69 H4* G 7 H4' G 7 -11.647 2.472 15.950 70 H3* G 7 H3' G 7 -10.158 2.773 18.569 71 H2* G 7 H2' G 7 -9.304 0.594 18.097 72 2HO* G 7 HO2' G 7 -11.098 -0.507 17.395 73 H1* G 7 H1' G 7 -9.098 1.070 15.332 74 H8 G 7 H8 G 7 -7.484 3.749 17.572 75 H1 G 7 H1 G 7 -4.020 -1.635 16.822 76 1H2 G 7 2H2 G 7 -5.296 -3.188 15.786 77 2H2 G 7 1H2 G 7 -6.923 -2.782 15.244 78 1H5* G 8 1H5' G 8 -12.855 -1.065 18.136 79 2H5* G 8 2H5' G 8 -13.276 -1.572 19.783 80 H4* G 8 H4' G 8 -12.372 -3.423 18.349 81 H3* G 8 H3' G 8 -10.849 -2.662 20.851 82 H2* G 8 H2' G 8 -9.416 -4.550 20.400 83 2HO* G 8 HO2' G 8 -11.336 -5.804 19.616 84 H1* G 8 H1' G 8 -9.175 -4.067 17.720 85 H8 G 8 H8 G 8 -9.153 -0.789 19.723 86 H1 G 8 H1 G 8 -3.483 -3.815 19.566 87 1H2 G 8 2H2 G 8 -3.802 -5.951 18.984 88 2H2 G 8 1H2 G 8 -5.379 -6.517 18.431 89 1H5* C 9 1H5' C 9 -11.508 -7.032 21.113 90 2H5* C 9 2H5' C 9 -11.712 -7.465 22.821 91 H4* C 9 H4' C 9 -9.758 -8.584 21.711 92 H3* C 9 H3' C 9 -9.172 -6.713 24.021 93 H2* C 9 H2' C 9 -6.877 -7.442 23.844 94 2HO* C 9 HO2' C 9 -7.746 -9.681 23.241 95 H1* C 9 H1' C 9 -6.796 -7.328 21.101 96 1H4 C 9 2H4 C 9 -4.247 -1.940 23.177 97 2H4 C 9 1H4 C 9 -5.820 -1.166 23.380 98 H5 C 9 H5 C 9 -7.928 -2.446 23.093 99 H6 C 9 H6 C 9 -8.838 -4.600 22.516 100 1H5* U 10 1H5' U 10 -6.769 -10.070 25.008 101 2H5* U 10 2H5' U 10 -6.946 -10.396 26.740 102 H4* U 10 H4' U 10 -4.592 -9.898 26.104 103 H3* U 10 H3' U 10 -5.971 -7.898 27.928 104 H2* U 10 H2' U 10 -3.863 -6.809 28.159 105 2HO* U 10 HO2' U 10 -1.943 -7.756 27.316 106 H1* U 10 H1' U 10 -3.170 -7.072 25.471 107 H3 U 10 H3 U 10 -3.697 -2.621 26.380 108 H5 U 10 H5 U 10 -7.620 -4.078 26.020 109 H6 U 10 H6 U 10 -6.736 -6.317 25.851 110 H3T U 10 HO3' U 10 -3.907 -9.683 28.567 111 1H5* G 11 1H5' G 11 5.799 -3.924 26.751 112 2H5* G 11 2H5' G 11 6.538 -4.064 25.144 113 H4* G 11 H4' G 11 5.221 -6.055 25.656 114 H3* G 11 H3' G 11 4.059 -4.291 23.484 115 H2* G 11 H2' G 11 2.460 -6.051 23.099 116 2HO* G 11 HO2' G 11 4.176 -7.706 23.597 117 H1* G 11 H1' G 11 1.897 -6.420 25.746 118 H8 G 11 H8 G 11 2.434 -2.721 25.546 119 H1 G 11 H1 G 11 -3.119 -4.562 22.872 120 1H2 G 11 2H2 G 11 -3.081 -6.783 22.535 121 2H2 G 11 1H2 G 11 -1.689 -7.752 23.020 122 H5T G 11 H5' G 11 5.662 -2.024 25.330 123 1H5* C 12 1H5' C 12 4.174 -8.087 21.677 124 2H5* C 12 2H5' C 12 4.754 -7.949 20.009 125 H4* C 12 H4' C 12 2.493 -8.982 20.186 126 H3* C 12 H3' C 12 2.659 -6.318 18.750 127 H2* C 12 H2' C 12 0.364 -6.715 18.128 128 2HO* C 12 HO2' C 12 0.739 -9.041 17.821 129 H1* C 12 H1' C 12 -0.389 -7.615 20.620 130 1H4 C 12 2H4 C 12 -2.120 -1.554 20.437 131 2H4 C 12 1H4 C 12 -0.551 -1.011 21.027 132 H5 C 12 H5 C 12 1.350 -2.593 21.265 133 H6 C 12 H6 C 12 2.005 -4.907 21.078 134 1H5* C 13 1H5' C 13 0.812 -9.261 16.008 135 2H5* C 13 2H5' C 13 1.153 -8.823 14.326 136 H4* C 13 H4' C 13 -1.303 -8.902 14.981 137 H3* C 13 H3' C 13 -0.189 -6.316 13.870 138 H2* C 13 H2' C 13 -2.453 -5.498 13.927 139 2HO* C 13 HO2' C 13 -3.481 -7.380 13.185 140 H1* C 13 H1' C 13 -3.054 -6.581 16.384 141 1H4 C 13 2H4 C 13 -1.736 -0.551 17.594 142 2H4 C 13 1H4 C 13 0.006 -0.834 17.593 143 H5 C 13 H5 C 13 0.957 -3.058 17.014 144 H6 C 13 H6 C 13 0.397 -5.300 16.313 145 1H5* G 14 1H5' G 14 -3.679 -5.973 9.719 146 2H5* G 14 2H5' G 14 -2.692 -4.761 10.539 147 H4* G 14 H4' G 14 -5.421 -5.773 11.458 148 H3* G 14 H3' G 14 -4.928 -4.008 9.446 149 H2* G 14 H2' G 14 -3.532 -2.577 10.559 150 2HO* G 14 HO2' G 14 -5.393 -1.374 9.822 151 H1* G 14 H1' G 14 -5.112 -2.473 13.086 152 H8 G 14 H8 G 14 -1.765 -4.104 12.249 153 H1 G 14 H1 G 14 -1.137 1.603 15.132 154 1H2 G 14 1H2 G 14 -3.137 2.635 15.205 155 2H2 G 14 2H2 G 14 -4.560 1.880 14.580 156 1H5* A 15 1H5' A 15 -7.740 -1.690 9.303 157 2H5* A 15 2H5' A 15 -8.885 -2.113 8.018 158 H4* A 15 H4' A 15 -7.489 -0.271 7.281 159 H3* A 15 H3' A 15 -7.694 -2.634 5.770 160 H2* A 15 H2' A 15 -5.670 -3.439 6.422 161 2HO* A 15 HO2' A 15 -5.670 -2.695 4.000 162 H1* A 15 H1' A 15 -4.456 -0.665 6.245 163 H8 A 15 H8 A 15 -3.708 -4.190 6.642 164 1H6 A 15 1H6 A 15 0.744 -2.824 10.771 165 2H6 A 15 2H6 A 15 0.009 -4.161 9.905 166 H2 A 15 H2 A 15 -1.467 0.843 9.991 167 1H5* A 16 1H5' A 16 -6.329 1.248 1.638 168 2H5* A 16 2H5' A 16 -4.688 1.184 2.285 169 H4* A 16 H4' A 16 -7.229 2.075 3.707 170 H3* A 16 H3' A 16 -4.500 3.295 3.121 171 H2* A 16 H2' A 16 -4.915 4.787 4.942 172 2HO* A 16 HO2' A 16 -7.272 4.861 4.217 173 H1* A 16 H1' A 16 -6.048 2.812 6.546 174 H8 A 16 H8 A 16 -3.155 0.992 5.182 175 1H6 A 16 1H6 A 16 0.039 3.685 9.716 176 2H6 A 16 2H6 A 16 0.087 2.404 8.515 177 H2 A 16 H2 A 16 -3.536 6.143 9.024 178 1H5* G 17 1H5' G 17 -6.143 6.890 3.705 179 2H5* G 17 2H5' G 17 -5.596 7.987 2.421 180 H4* G 17 H4' G 17 -4.788 8.752 4.601 181 H3* G 17 H3' G 17 -2.631 7.675 2.767 182 H2* G 17 H2' G 17 -1.030 8.354 4.434 183 2HO* G 17 HO2' G 17 -2.459 10.308 4.887 184 H1* G 17 H1' G 17 -2.439 7.393 6.569 185 H8 G 17 H8 G 17 -2.867 5.028 3.592 186 H1 G 17 H1 G 17 2.602 4.156 6.844 187 1H2 G 17 1H2 G 17 2.877 5.802 8.337 188 2H2 G 17 2H2 G 17 1.716 7.098 8.519 189 1H5* C 18 1H5' C 18 -0.856 11.264 4.041 190 2H5* C 18 2H5' C 18 -0.108 12.070 2.650 191 H4* C 18 H4' C 18 1.554 11.517 4.393 192 H3* C 18 H3' C 18 1.827 9.967 1.801 193 H2* C 18 H2' C 18 3.915 9.146 2.708 194 2HO* C 18 HO2' C 18 4.297 11.317 3.728 195 H1* C 18 H1' C 18 2.881 8.662 5.210 196 1H4 C 18 2H4 C 18 2.403 3.028 2.372 197 2H4 C 18 1H4 C 18 0.847 3.466 1.680 198 H5 C 18 H5 C 18 -0.001 5.778 1.709 199 H6 C 18 H6 C 18 0.353 7.971 2.636 200 1H5* C 19 1H5' C 19 5.702 11.869 2.489 201 2H5* C 19 2H5' C 19 6.388 12.369 0.931 202 H4* C 19 H4' C 19 7.860 10.801 2.187 203 H3* C 19 H3' C 19 6.731 9.753 -0.428 204 H2* C 19 H2' C 19 8.254 7.883 -0.114 205 2HO* C 19 HO2' C 19 9.845 9.460 0.916 206 H1* C 19 H1' C 19 7.617 7.572 2.538 207 1H4 C 19 2H4 C 19 3.898 3.461 -0.407 208 2H4 C 19 1H4 C 19 2.615 4.654 -0.637 209 H5 C 19 H5 C 19 3.005 7.065 -0.143 210 H6 C 19 H6 C 19 4.603 8.634 0.745 211 H2* PR5 20 H2' P5P 20 9.873 5.154 -4.480 212 2HO* PR5 20 HO2' P5P 20 12.287 5.265 -4.181 213 H1* PR5 20 H1' P5P 20 9.998 4.392 -1.837 214 H4* PR5 20 H4' P5P 20 11.952 7.022 -1.968 215 1H5* PR5 20 1H5' P5P 20 10.885 8.884 -0.729 216 2H5* PR5 20 2H5' P5P 20 11.441 9.384 -2.334 217 H3* PR5 20 H3' P5P 20 9.715 7.490 -3.979 218 H3T PR5 20 HO3' P5P 20 11.722 8.366 -4.573 219 H8 PR5 20 H8 P5P 20 7.599 7.349 -2.121 220 H3 PR5 20 H2 P5P 20 7.310 1.181 -3.938 221 H6 PR5 20 H6 P5P 20 4.219 3.918 -3.504 Start of MODEL 7 1 1H5* G 1 1H5' G 1 5.809 -7.205 -2.737 2 2H5* G 1 2H5' G 1 6.504 -7.847 -1.242 3 H4* G 1 H4' G 1 8.248 -6.591 -2.130 4 H3* G 1 H3' G 1 6.784 -4.753 -0.202 5 H2* G 1 H2' G 1 8.535 -3.200 -0.504 6 2HO* G 1 HO2' G 1 10.164 -4.961 -0.757 7 H1* G 1 H1' G 1 8.359 -3.310 -3.214 8 H8 G 1 H8 G 1 4.853 -4.083 -2.797 9 H1 G 1 H1 G 1 6.022 1.842 -0.592 10 1H2 G 1 2H2 G 1 8.204 2.075 -0.184 11 2H2 G 1 1H2 G 1 9.345 0.770 -0.525 12 H5T G 1 H5' G 1 5.384 -6.364 -0.052 13 1H5* G 2 1H5' G 2 9.957 -4.652 1.948 14 2H5* G 2 2H5' G 2 9.648 -4.982 3.659 15 H4* G 2 H4' G 2 10.474 -2.680 3.183 16 H3* G 2 H3' G 2 7.694 -2.886 4.368 17 H2* G 2 H2' G 2 7.826 -0.486 4.606 18 2HO* G 2 HO2' G 2 10.189 -0.700 5.153 19 H1* G 2 H1' G 2 8.936 -0.073 2.117 20 H8 G 2 H8 G 2 6.241 -2.680 1.646 21 H1 G 2 H1 G 2 3.971 3.275 2.641 22 1H2 G 2 2H2 G 2 5.632 4.580 3.428 23 2H2 G 2 1H2 G 2 7.260 3.928 3.600 24 1H5* U 3 1H5' U 3 9.792 -0.147 6.968 25 2H5* U 3 2H5' U 3 9.271 -0.432 8.636 26 H4* U 3 H4' U 3 8.845 1.896 7.790 27 H3* U 3 H3' U 3 6.472 0.229 8.654 28 H2* U 3 H2' U 3 5.155 2.232 8.368 29 2HO* U 3 HO2' U 3 7.001 3.551 9.220 30 H1* U 3 H1' U 3 6.344 2.962 5.999 31 H3 U 3 H3 U 3 2.007 1.801 5.048 32 H5 U 3 H5 U 3 4.090 -1.833 5.177 33 H6 U 3 H6 U 3 6.018 -0.678 6.064 34 1H5* G 4 1H5' G 4 6.074 3.958 10.905 35 2H5* G 4 2H5' G 4 5.408 3.565 12.498 36 H4* G 4 H4' G 4 3.998 5.132 11.188 37 H3* G 4 H3' G 4 2.743 2.460 11.869 38 H2* G 4 H2' G 4 0.711 3.374 10.941 39 2HO* G 4 HO2' G 4 0.988 5.525 11.741 40 H1* G 4 H1' G 4 1.871 4.357 8.698 41 H8 G 4 H8 G 4 3.728 1.150 9.596 42 H1 G 4 H1 G 4 -1.833 0.079 6.582 43 1H2 G 4 2H2 G 4 -3.121 1.917 6.661 44 2H2 G 4 1H2 G 4 -2.521 3.407 7.341 45 1H5* A 5 1H5' A 5 -0.423 6.164 15.048 46 2H5* A 5 2H5' A 5 -1.445 4.981 14.188 47 H4* A 5 H4' A 5 -0.482 7.616 12.972 48 H3* A 5 H3' A 5 -3.013 6.933 14.448 49 H2* A 5 H2' A 5 -4.268 8.230 12.921 50 2HO* A 5 HO2' A 5 -2.933 10.021 12.879 51 H1* A 5 H1' A 5 -2.819 7.558 10.674 52 H8 A 5 H8 A 5 -2.991 4.203 11.348 53 1H6 A 5 1H6 A 5 -8.971 4.261 9.730 54 2H6 A 5 2H6 A 5 -7.536 3.252 9.884 55 H2 A 5 H2 A 5 -7.899 8.345 10.967 56 1H5* A 6 1H5' A 6 -4.291 7.668 18.026 57 2H5* A 6 2H5' A 6 -3.538 7.020 16.578 58 H4* A 6 H4' A 6 -5.837 8.964 16.250 59 H3* A 6 H3' A 6 -6.029 6.156 17.329 60 H2* A 6 H2' A 6 -7.980 5.761 15.987 61 2HO* A 6 HO2' A 6 -8.565 8.143 16.370 62 H1* A 6 H1' A 6 -6.949 6.831 13.713 63 H8 A 6 H8 A 6 -3.918 5.237 15.264 64 1H6 A 6 1H6 A 6 -6.092 -0.132 13.030 65 2H6 A 6 2H6 A 6 -4.649 0.640 13.667 66 H2 A 6 H2 A 6 -9.344 2.808 12.819 67 1H5* G 7 1H5' G 7 -9.642 6.212 17.764 68 2H5* G 7 2H5' G 7 -10.133 5.762 19.409 69 H4* G 7 H4' G 7 -10.798 4.040 17.787 70 H3* G 7 H3' G 7 -8.607 3.231 19.713 71 H2* G 7 H2' G 7 -8.782 1.006 18.792 72 2HO* G 7 HO2' G 7 -11.168 1.261 18.576 73 H1* G 7 H1' G 7 -8.830 1.827 16.191 74 H8 G 7 H8 G 7 -6.453 4.183 17.985 75 H1 G 7 H1 G 7 -3.963 -1.635 16.835 76 1H2 G 7 2H2 G 7 -5.630 -3.109 16.553 77 2H2 G 7 1H2 G 7 -7.277 -2.526 16.375 78 1H5* G 8 1H5' G 8 -11.812 0.170 19.982 79 2H5* G 8 2H5' G 8 -12.012 -0.233 21.696 80 H4* G 8 H4' G 8 -11.607 -2.229 20.267 81 H3* G 8 H3' G 8 -9.539 -1.551 22.370 82 H2* G 8 H2' G 8 -8.459 -3.630 21.800 83 2HO* G 8 HO2' G 8 -10.637 -4.654 21.507 84 H1* G 8 H1' G 8 -8.718 -3.323 19.092 85 H8 G 8 H8 G 8 -7.853 0.109 20.461 86 H1 G 8 H1 G 8 -2.821 -3.881 20.086 87 1H2 G 8 2H2 G 8 -3.565 -6.000 19.972 88 2H2 G 8 1H2 G 8 -5.291 -6.340 19.815 89 1H5* C 9 1H5' C 9 -10.678 -5.739 23.161 90 2H5* C 9 2H5' C 9 -10.665 -6.000 24.916 91 H4* C 9 H4' C 9 -9.083 -7.486 23.667 92 H3* C 9 H3' C 9 -7.876 -5.518 25.631 93 H2* C 9 H2' C 9 -5.765 -6.599 25.194 94 2HO* C 9 HO2' C 9 -7.004 -8.728 24.994 95 H1* C 9 H1' C 9 -6.124 -6.745 22.478 96 1H4 C 9 2H4 C 9 -2.584 -1.634 23.308 97 2H4 C 9 1H4 C 9 -3.982 -0.591 23.583 98 H5 C 9 H5 C 9 -6.264 -1.556 23.842 99 H6 C 9 H6 C 9 -7.532 -3.605 23.767 100 1H5* U 10 1H5' U 10 -5.809 -9.119 26.616 101 2H5* U 10 2H5' U 10 -5.704 -9.229 28.381 102 H4* U 10 H4' U 10 -3.464 -9.175 27.303 103 H3* U 10 H3' U 10 -4.194 -6.791 29.038 104 H2* U 10 H2' U 10 -1.950 -6.034 28.760 105 2HO* U 10 HO2' U 10 -0.367 -7.367 27.756 106 H1* U 10 H1' U 10 -1.809 -6.716 26.057 107 H3 U 10 H3 U 10 -1.525 -2.165 26.341 108 H5 U 10 H5 U 10 -5.588 -2.978 27.026 109 H6 U 10 H6 U 10 -5.084 -5.340 27.006 110 H3T U 10 HO3' U 10 -2.313 -8.801 29.566 111 1H5* G 11 1H5' G 11 7.478 -4.295 23.666 112 2H5* G 11 2H5' G 11 7.910 -5.363 22.322 113 H4* G 11 H4' G 11 6.689 -6.755 23.734 114 H3* G 11 H3' G 11 4.699 -5.672 21.704 115 H2* G 11 H2' G 11 3.117 -7.173 22.601 116 2HO* G 11 HO2' G 11 4.828 -8.827 23.015 117 H1* G 11 H1' G 11 3.628 -6.443 25.180 118 H8 G 11 H8 G 11 4.331 -3.143 23.852 119 H1 G 11 H1 G 11 -1.910 -4.539 23.193 120 1H2 G 11 2H2 G 11 -2.189 -6.757 23.253 121 2H2 G 11 1H2 G 11 -0.827 -7.848 23.521 122 H5T G 11 H5' G 11 6.368 -4.451 21.055 123 1H5* C 12 1H5' C 12 4.364 -9.305 20.260 124 2H5* C 12 2H5' C 12 4.471 -9.336 18.492 125 H4* C 12 H4' C 12 2.215 -9.907 19.353 126 H3* C 12 H3' C 12 2.361 -7.308 17.800 127 H2* C 12 H2' C 12 -0.057 -7.365 17.895 128 2HO* C 12 HO2' C 12 -0.271 -9.643 17.588 129 H1* C 12 H1' C 12 -0.124 -8.107 20.552 130 1H4 C 12 2H4 C 12 -0.964 -1.832 20.145 131 2H4 C 12 1H4 C 12 0.771 -1.520 20.159 132 H5 C 12 H5 C 12 2.415 -3.384 20.080 133 H6 C 12 H6 C 12 2.650 -5.790 20.021 134 1H5* C 13 1H5' C 13 -0.503 -10.141 15.798 135 2H5* C 13 2H5' C 13 -0.656 -9.727 14.082 136 H4* C 13 H4' C 13 -2.795 -9.663 15.481 137 H3* C 13 H3' C 13 -1.972 -7.167 13.966 138 H2* C 13 H2' C 13 -4.114 -6.284 14.678 139 2HO* C 13 HO2' C 13 -5.068 -8.523 14.428 140 H1* C 13 H1' C 13 -3.899 -7.186 17.254 141 1H4 C 13 1H4 C 13 -2.260 -1.217 17.517 142 2H4 C 13 2H4 C 13 -0.642 -1.339 17.044 143 H5 C 13 H5 C 13 0.215 -3.840 16.465 144 H6 C 13 H6 C 13 -0.581 -6.106 16.134 145 1H5* G 14 1H5' G 14 -5.844 -6.851 13.201 146 2H5* G 14 2H5' G 14 -6.142 -6.524 11.490 147 H4* G 14 H4' G 14 -6.883 -4.690 13.025 148 H3* G 14 H3' G 14 -4.829 -4.137 10.887 149 H2* G 14 H2' G 14 -4.813 -1.822 11.567 150 2HO* G 14 HO2' G 14 -7.276 -2.199 11.936 151 H1* G 14 H1' G 14 -4.992 -2.260 14.285 152 H8 G 14 H8 G 14 -2.570 -4.808 12.843 153 H1 G 14 H1 G 14 0.173 0.811 14.318 154 1H2 G 14 1H2 G 14 -1.269 2.336 14.473 155 2H2 G 14 2H2 G 14 -3.013 2.084 14.439 156 1H5* A 15 1H5' A 15 -8.013 -0.988 10.702 157 2H5* A 15 2H5' A 15 -8.714 -1.076 9.084 158 H4* A 15 H4' A 15 -8.168 1.230 9.782 159 H3* A 15 H3' A 15 -7.812 0.173 7.294 160 H2* A 15 H2' A 15 -5.589 -0.406 7.421 161 2HO* A 15 HO2' A 15 -5.893 1.665 6.004 162 H1* A 15 H1' A 15 -4.768 2.009 9.010 163 H8 A 15 H8 A 15 -4.406 -1.829 8.486 164 1H6 A 15 1H6 A 15 1.089 -1.024 11.224 165 2H6 A 15 2H6 A 15 0.068 -2.180 10.374 166 H2 A 15 H2 A 15 -1.168 2.739 11.639 167 1H5* A 16 1H5' A 16 -7.602 4.909 4.439 168 2H5* A 16 2H5' A 16 -6.426 4.577 5.718 169 H4* A 16 H4' A 16 -8.546 6.774 5.803 170 H3* A 16 H3' A 16 -5.631 6.730 5.031 171 H2* A 16 H2' A 16 -5.210 8.767 6.205 172 2HO* A 16 HO2' A 16 -7.494 9.486 5.577 173 H1* A 16 H1' A 16 -6.401 8.036 8.494 174 H8 A 16 H8 A 16 -5.470 4.611 7.594 175 1H6 A 16 1H6 A 16 0.385 6.014 8.954 176 2H6 A 16 2H6 A 16 -0.683 4.702 8.472 177 H2 A 16 H2 A 16 -1.842 9.808 8.719 178 1H5* G 17 1H5' G 17 -5.361 10.067 4.190 179 2H5* G 17 2H5' G 17 -4.722 10.436 2.577 180 H4* G 17 H4' G 17 -3.141 10.938 4.474 181 H3* G 17 H3' G 17 -2.284 8.868 2.436 182 H2* G 17 H2' G 17 -0.139 8.874 3.571 183 2HO* G 17 HO2' G 17 -0.381 11.266 3.958 184 H1* G 17 H1' G 17 -1.205 8.824 6.084 185 H8 G 17 H8 G 17 -3.394 6.554 3.968 186 H1 G 17 H1 G 17 2.194 3.911 5.768 187 1H2 G 17 1H2 G 17 3.524 5.445 6.586 188 2H2 G 17 2H2 G 17 3.014 7.126 6.721 189 1H5* C 18 1H5' C 18 0.907 11.848 2.805 190 2H5* C 18 2H5' C 18 1.648 12.131 1.222 191 H4* C 18 H4' C 18 3.277 11.366 2.959 192 H3* C 18 H3' C 18 2.821 9.542 0.584 193 H2* C 18 H2' C 18 4.696 8.260 1.424 194 2HO* C 18 HO2' C 18 5.806 10.283 2.102 195 H1* C 18 H1' C 18 3.859 8.356 4.039 196 1H4 C 18 2H4 C 18 1.622 2.812 1.900 197 2H4 C 18 1H4 C 18 0.150 3.588 1.336 198 H5 C 18 H5 C 18 -0.084 6.037 1.228 199 H6 C 18 H6 C 18 0.951 8.126 1.814 200 1H5* C 19 1H5' C 19 7.140 10.486 0.704 201 2H5* C 19 2H5' C 19 7.740 10.617 -0.960 202 H4* C 19 H4' C 19 8.956 8.903 0.372 203 H3* C 19 H3' C 19 7.307 7.844 -1.946 204 H2* C 19 H2' C 19 8.396 5.715 -1.498 205 2HO* C 19 HO2' C 19 10.416 6.972 -0.864 206 H1* C 19 H1' C 19 8.020 5.891 1.213 207 1H4 C 19 2H4 C 19 3.139 2.513 -0.861 208 2H4 C 19 1H4 C 19 2.140 3.950 -1.107 209 H5 C 19 H5 C 19 3.142 6.233 -0.991 210 H6 C 19 H6 C 19 5.156 7.446 -0.472 211 H2* PR5 20 H2' P5P 20 8.594 2.351 -5.771 212 2HO* PR5 20 HO2' P5P 20 11.066 1.780 -4.483 213 H1* PR5 20 H1' P5P 20 8.782 1.772 -3.093 214 H4* PR5 20 H4' P5P 20 11.423 3.748 -3.639 215 1H5* PR5 20 1H5' P5P 20 11.013 5.919 -2.556 216 2H5* PR5 20 2H5' P5P 20 11.463 6.113 -4.259 217 H3* PR5 20 H3' P5P 20 9.243 4.633 -5.554 218 H3T PR5 20 HO3' P5P 20 10.740 3.495 -6.983 219 H8 PR5 20 H8 P5P 20 7.336 5.270 -3.308 220 H3 PR5 20 H2 P5P 20 5.084 -0.554 -4.871 221 H6 PR5 20 H6 P5P 20 2.980 2.956 -4.175 Start of MODEL 8 1 1H5* G 1 1H5' G 1 6.101 -5.473 -3.709 2 2H5* G 1 2H5' G 1 6.992 -6.209 -2.369 3 H4* G 1 H4' G 1 8.543 -4.732 -3.274 4 H3* G 1 H3' G 1 7.159 -3.226 -1.027 5 H2* G 1 H2' G 1 8.760 -1.517 -1.316 6 2HO* G 1 HO2' G 1 10.470 -3.112 -1.918 7 H1* G 1 H1' G 1 8.322 -1.363 -3.995 8 H8 G 1 H8 G 1 4.934 -2.426 -3.366 9 H1 G 1 H1 G 1 5.916 3.313 -0.638 10 1H2 G 1 2H2 G 1 8.107 3.636 -0.333 11 2H2 G 1 1H2 G 1 9.290 2.452 -0.895 12 H5T G 1 H5' G 1 5.901 -4.951 -0.917 13 1H5* G 2 1H5' G 2 10.485 -3.011 0.749 14 2H5* G 2 2H5' G 2 10.426 -3.508 2.447 15 H4* G 2 H4' G 2 10.957 -1.093 2.071 16 H3* G 2 H3' G 2 8.424 -1.721 3.605 17 H2* G 2 H2' G 2 8.312 0.655 4.040 18 2HO* G 2 HO2' G 2 10.755 0.674 4.221 19 H1* G 2 H1' G 2 9.015 1.393 1.480 20 H8 G 2 H8 G 2 6.576 -1.432 1.012 21 H1 G 2 H1 G 2 3.846 4.105 2.877 22 1H2 G 2 2H2 G 2 5.440 5.470 3.711 23 2H2 G 2 1H2 G 2 7.131 4.973 3.682 24 1H5* U 3 1H5' U 3 10.418 1.125 6.085 25 2H5* U 3 2H5' U 3 10.297 0.588 7.768 26 H4* U 3 H4' U 3 9.298 2.846 7.382 27 H3* U 3 H3' U 3 7.503 0.596 8.300 28 H2* U 3 H2' U 3 5.722 2.143 8.448 29 2HO* U 3 HO2' U 3 6.901 3.795 9.498 30 H1* U 3 H1' U 3 6.441 3.646 6.207 31 H3 U 3 H3 U 3 2.311 2.008 5.182 32 H5 U 3 H5 U 3 4.870 -1.287 4.735 33 H6 U 3 H6 U 3 6.675 0.014 5.692 34 1H5* G 4 1H5' G 4 5.538 2.137 12.803 35 2H5* G 4 2H5' G 4 5.076 1.253 11.340 36 H4* G 4 H4' G 4 4.657 4.238 11.793 37 H3* G 4 H3' G 4 2.880 1.815 12.092 38 H2* G 4 H2' G 4 1.043 2.962 11.120 39 2HO* G 4 HO2' G 4 1.616 5.020 12.235 40 H1* G 4 H1' G 4 2.410 4.082 9.056 41 H8 G 4 H8 G 4 4.162 0.765 9.504 42 H1 G 4 H1 G 4 -1.438 0.272 6.382 43 1H2 G 4 2H2 G 4 -2.641 2.218 6.687 44 2H2 G 4 1H2 G 4 -1.903 3.534 7.580 45 1H5* A 5 1H5' A 5 -0.084 5.033 15.894 46 2H5* A 5 2H5' A 5 -0.966 4.402 14.496 47 H4* A 5 H4' A 5 0.037 7.253 14.938 48 H3* A 5 H3' A 5 -2.596 5.852 14.907 49 H2* A 5 H2' A 5 -3.693 7.305 13.440 50 2HO* A 5 HO2' A 5 -2.484 9.152 14.527 51 H1* A 5 H1' A 5 -1.757 7.571 11.614 52 H8 A 5 H8 A 5 -0.590 4.280 12.157 53 1H6 A 5 1H6 A 5 -5.604 2.043 9.328 54 2H6 A 5 2H6 A 5 -3.998 1.646 9.958 55 H2 A 5 H2 A 5 -6.563 6.147 10.684 56 1H5* A 6 1H5' A 6 -4.687 6.060 18.669 57 2H5* A 6 2H5' A 6 -4.767 4.614 17.669 58 H4* A 6 H4' A 6 -5.374 7.480 16.869 59 H3* A 6 H3' A 6 -6.841 4.880 17.114 60 H2* A 6 H2' A 6 -8.004 5.012 15.114 61 2HO* A 6 HO2' A 6 -8.196 7.462 15.595 62 H1* A 6 H1' A 6 -6.000 5.944 13.548 63 H8 A 6 H8 A 6 -3.738 3.939 15.549 64 1H6 A 6 1H6 A 6 -5.655 -0.974 12.286 65 2H6 A 6 2H6 A 6 -4.372 -0.362 13.320 66 H2 A 6 H2 A 6 -8.695 2.197 11.836 67 1H5* G 7 1H5' G 7 -10.032 5.421 16.955 68 2H5* G 7 2H5' G 7 -10.946 4.955 18.403 69 H4* G 7 H4' G 7 -11.134 3.238 16.665 70 H3* G 7 H3' G 7 -9.440 2.403 19.035 71 H2* G 7 H2' G 7 -9.393 0.202 18.036 72 2HO* G 7 HO2' G 7 -11.675 0.477 17.303 73 H1* G 7 H1' G 7 -8.884 1.114 15.509 74 H8 G 7 H8 G 7 -7.063 3.183 18.209 75 H1 G 7 H1 G 7 -3.996 -2.173 16.450 76 1H2 G 7 2H2 G 7 -5.507 -3.613 15.617 77 2H2 G 7 1H2 G 7 -7.125 -3.069 15.175 78 1H5* G 8 1H5' G 8 -12.503 -0.733 18.625 79 2H5* G 8 2H5' G 8 -12.982 -1.205 20.266 80 H4* G 8 H4' G 8 -12.169 -3.126 18.932 81 H3* G 8 H3' G 8 -10.489 -2.325 21.322 82 H2* G 8 H2' G 8 -9.184 -4.308 20.894 83 2HO* G 8 HO2' G 8 -11.219 -5.478 20.266 84 H1* G 8 H1' G 8 -9.073 -3.952 18.181 85 H8 G 8 H8 G 8 -8.705 -0.539 19.862 86 H1 G 8 H1 G 8 -3.356 -4.102 19.986 87 1H2 G 8 2H2 G 8 -3.932 -6.266 19.798 88 2H2 G 8 1H2 G 8 -5.574 -6.725 19.339 89 1H5* C 9 1H5' C 9 -11.318 -6.599 21.871 90 2H5* C 9 2H5' C 9 -11.528 -6.913 23.603 91 H4* C 9 H4' C 9 -9.657 -8.212 22.565 92 H3* C 9 H3' C 9 -8.933 -6.215 24.727 93 H2* C 9 H2' C 9 -6.690 -7.105 24.592 94 2HO* C 9 HO2' C 9 -7.717 -9.319 24.152 95 H1* C 9 H1' C 9 -6.636 -7.193 21.847 96 1H4 C 9 2H4 C 9 -3.697 -1.841 23.311 97 2H4 C 9 1H4 C 9 -5.204 -0.925 23.384 98 H5 C 9 H5 C 9 -7.409 -2.074 23.261 99 H6 C 9 H6 C 9 -8.478 -4.214 22.951 100 1H5* U 10 1H5' U 10 -6.681 -9.566 25.937 101 2H5* U 10 2H5' U 10 -6.917 -9.792 27.677 102 H4* U 10 H4' U 10 -4.541 -9.446 27.170 103 H3* U 10 H3' U 10 -5.852 -7.105 28.610 104 H2* U 10 H2' U 10 -3.650 -6.220 28.873 105 2HO* U 10 HO2' U 10 -2.806 -8.477 29.226 106 H1* U 10 H1' U 10 -2.873 -6.854 26.285 107 H3 U 10 H3 U 10 -3.116 -2.288 26.500 108 H5 U 10 H5 U 10 -7.135 -3.506 26.438 109 H6 U 10 H6 U 10 -6.403 -5.805 26.526 110 H3T U 10 HO3' U 10 -5.868 -9.054 29.772 111 1H5* G 11 1H5' G 11 6.821 -4.646 26.081 112 2H5* G 11 2H5' G 11 7.294 -5.034 24.416 113 H4* G 11 H4' G 11 5.601 -6.608 25.327 114 H3* G 11 H3' G 11 4.635 -4.872 23.031 115 H2* G 11 H2' G 11 2.717 -6.340 23.004 116 2HO* G 11 HO2' G 11 4.112 -8.238 23.487 117 H1* G 11 H1' G 11 2.492 -6.395 25.765 118 H8 G 11 H8 G 11 3.198 -2.806 24.911 119 H1 G 11 H1 G 11 -2.777 -4.602 23.351 120 1H2 G 11 2H2 G 11 -2.905 -6.843 23.368 121 2H2 G 11 1H2 G 11 -1.528 -7.830 23.862 122 H5T G 11 H5' G 11 5.402 -3.067 25.197 123 1H5* C 12 1H5' C 12 4.059 -8.980 21.772 124 2H5* C 12 2H5' C 12 4.335 -9.112 20.028 125 H4* C 12 H4' C 12 2.049 -9.840 20.784 126 H3* C 12 H3' C 12 2.208 -7.504 18.858 127 H2* C 12 H2' C 12 -0.191 -7.698 18.717 128 2HO* C 12 HO2' C 12 -0.035 -10.100 18.845 129 H1* C 12 H1' C 12 -0.552 -8.049 21.421 130 1H4 C 12 2H4 C 12 -1.719 -1.951 20.325 131 2H4 C 12 1H4 C 12 -0.029 -1.509 20.550 132 H5 C 12 H5 C 12 1.735 -3.250 20.790 133 H6 C 12 H6 C 12 2.131 -5.628 20.939 134 1H5* C 13 1H5' C 13 -0.509 -10.464 17.086 135 2H5* C 13 2H5' C 13 -0.442 -10.377 15.320 136 H4* C 13 H4' C 13 -2.705 -9.904 16.408 137 H3* C 13 H3' C 13 -1.478 -7.851 14.550 138 H2* C 13 H2' C 13 -3.540 -6.617 14.809 139 2HO* C 13 HO2' C 13 -4.721 -8.778 14.878 140 H1* C 13 H1' C 13 -3.765 -7.040 17.509 141 1H4 C 13 2H4 C 13 -1.431 -1.267 17.191 142 2H4 C 13 1H4 C 13 0.243 -1.832 17.213 143 H5 C 13 H5 C 13 0.761 -4.280 17.049 144 H6 C 13 H6 C 13 -0.232 -6.476 16.860 145 1H5* G 14 1H5' G 14 -5.382 -7.563 13.285 146 2H5* G 14 2H5' G 14 -5.432 -7.634 11.518 147 H4* G 14 H4' G 14 -6.307 -5.480 12.394 148 H3* G 14 H3' G 14 -3.836 -5.515 10.679 149 H2* G 14 H2' G 14 -3.600 -3.187 10.863 150 2HO* G 14 HO2' G 14 -5.765 -2.690 10.343 151 H1* G 14 H1' G 14 -4.588 -2.881 13.454 152 H8 G 14 H8 G 14 -1.968 -5.658 12.874 153 H1 G 14 H1 G 14 0.519 0.101 14.297 154 1H2 G 14 1H2 G 14 -0.971 1.611 14.156 155 2H2 G 14 2H2 G 14 -2.697 1.278 14.012 156 1H5* A 15 1H5' A 15 -7.080 -2.704 9.160 157 2H5* A 15 2H5' A 15 -7.291 -2.994 7.429 158 H4* A 15 H4' A 15 -7.035 -0.578 8.054 159 H3* A 15 H3' A 15 -6.015 -1.869 5.844 160 H2* A 15 H2' A 15 -3.902 -2.246 6.512 161 2HO* A 15 HO2' A 15 -3.748 0.459 5.689 162 H1* A 15 H1' A 15 -3.614 0.320 8.042 163 H8 A 15 H8 A 15 -2.892 -3.496 7.909 164 1H6 A 15 1H6 A 15 1.917 -1.990 11.512 165 2H6 A 15 2H6 A 15 1.175 -3.292 10.584 166 H2 A 15 H2 A 15 -0.659 1.540 11.230 167 1H5* A 16 1H5' A 16 -6.414 3.906 3.728 168 2H5* A 16 2H5' A 16 -5.065 3.853 4.859 169 H4* A 16 H4' A 16 -7.874 4.946 5.404 170 H3* A 16 H3' A 16 -5.176 6.196 4.850 171 H2* A 16 H2' A 16 -5.713 8.020 6.263 172 2HO* A 16 HO2' A 16 -8.051 7.833 5.515 173 H1* A 16 H1' A 16 -6.636 6.475 8.304 174 H8 A 16 H8 A 16 -4.066 4.168 7.132 175 1H6 A 16 1H6 A 16 0.174 7.866 9.755 176 2H6 A 16 2H6 A 16 -0.100 6.264 9.078 177 H2 A 16 H2 A 16 -3.592 10.133 9.477 178 1H5* G 17 1H5' G 17 -5.877 9.321 4.342 179 2H5* G 17 2H5' G 17 -5.187 10.084 2.897 180 H4* G 17 H4' G 17 -3.926 10.576 5.017 181 H3* G 17 H3' G 17 -2.484 9.064 2.828 182 H2* G 17 H2' G 17 -0.501 9.190 4.199 183 2HO* G 17 HO2' G 17 -1.235 11.434 4.895 184 H1* G 17 H1' G 17 -1.758 8.604 6.556 185 H8 G 17 H8 G 17 -3.320 6.390 3.903 186 H1 G 17 H1 G 17 2.305 4.215 6.139 187 1H2 G 17 1H2 G 17 3.348 5.825 7.235 188 2H2 G 17 2H2 G 17 2.606 7.405 7.463 189 1H5* C 18 1H5' C 18 0.187 12.284 3.954 190 2H5* C 18 2H5' C 18 0.957 12.944 2.500 191 H4* C 18 H4' C 18 2.610 12.033 4.129 192 H3* C 18 H3' C 18 2.379 10.627 1.457 193 H2* C 18 H2' C 18 4.282 9.310 2.119 194 2HO* C 18 HO2' C 18 5.238 11.282 3.163 195 H1* C 18 H1' C 18 3.434 8.962 4.727 196 1H4 C 18 2H4 C 18 1.491 3.576 2.065 197 2H4 C 18 1H4 C 18 0.036 4.344 1.447 198 H5 C 18 H5 C 18 -0.251 6.797 1.456 199 H6 C 18 H6 C 18 0.669 8.864 2.278 200 1H5* C 19 1H5' C 19 6.662 11.726 1.935 201 2H5* C 19 2H5' C 19 7.227 12.317 0.359 202 H4* C 19 H4' C 19 8.608 10.421 1.185 203 H3* C 19 H3' C 19 6.948 9.970 -1.308 204 H2* C 19 H2' C 19 7.863 7.797 -1.472 205 2HO* C 19 HO2' C 19 10.042 8.544 -1.046 206 H1* C 19 H1' C 19 8.013 7.314 1.284 207 1H4 C 19 2H4 C 19 3.105 3.860 -0.632 208 2H4 C 19 1H4 C 19 2.031 5.258 -0.723 209 H5 C 19 H5 C 19 2.909 7.568 -0.453 210 H6 C 19 H6 C 19 4.891 8.860 0.039 211 H2* PR5 20 H2' P5P 20 8.236 4.151 -5.725 212 2HO* PR5 20 HO2' P5P 20 10.062 3.199 -4.714 213 H1* PR5 20 H1' P5P 20 8.610 4.051 -3.025 214 H4* PR5 20 H4' P5P 20 10.473 6.848 -4.124 215 1H5* PR5 20 1H5' P5P 20 9.049 8.778 -5.148 216 2H5* PR5 20 2H5' P5P 20 7.838 8.346 -3.927 217 H3* PR5 20 H3' P5P 20 7.981 6.527 -5.814 218 H3T PR5 20 HO3' P5P 20 10.610 5.708 -6.379 219 H8 PR5 20 H8 P5P 20 6.321 6.902 -2.947 220 H3 PR5 20 H2 P5P 20 5.508 0.963 -5.297 221 H6 PR5 20 H6 P5P 20 2.636 3.746 -4.187 Start of MODEL 9 1 1H5* G 1 1H5' G 1 5.833 -6.615 -2.995 2 2H5* G 1 2H5' G 1 6.881 -7.087 -1.650 3 H4* G 1 H4' G 1 8.222 -5.627 -2.863 4 H3* G 1 H3' G 1 6.870 -3.945 -0.724 5 H2* G 1 H2' G 1 8.282 -2.168 -1.363 6 2HO* G 1 HO2' G 1 10.085 -3.683 -1.890 7 H1* G 1 H1' G 1 7.643 -2.416 -3.996 8 H8 G 1 H8 G 1 4.418 -3.652 -2.977 9 H1 G 1 H1 G 1 5.072 2.430 -0.999 10 1H2 G 1 2H2 G 1 7.234 2.980 -0.961 11 2H2 G 1 1H2 G 1 8.477 1.852 -1.510 12 H5T G 1 H5' G 1 5.787 -5.735 -0.288 13 1H5* G 2 1H5' G 2 10.286 -3.223 0.731 14 2H5* G 2 2H5' G 2 10.403 -3.514 2.473 15 H4* G 2 H4' G 2 10.693 -1.129 1.781 16 H3* G 2 H3' G 2 8.346 -1.757 3.588 17 H2* G 2 H2' G 2 8.063 0.637 3.754 18 2HO* G 2 HO2' G 2 10.502 0.864 3.727 19 H1* G 2 H1' G 2 8.508 1.113 1.075 20 H8 G 2 H8 G 2 6.292 -1.919 1.124 21 H1 G 2 H1 G 2 3.245 3.577 2.581 22 1H2 G 2 2H2 G 2 4.772 5.152 3.113 23 2H2 G 2 1H2 G 2 6.492 4.773 3.030 24 1H5* U 3 1H5' U 3 10.289 1.504 5.556 25 2H5* U 3 2H5' U 3 10.324 1.176 7.296 26 H4* U 3 H4' U 3 9.120 3.294 6.697 27 H3* U 3 H3' U 3 7.613 1.065 8.069 28 H2* U 3 H2' U 3 5.704 2.430 8.132 29 2HO* U 3 HO2' U 3 6.754 4.317 8.881 30 H1* U 3 H1' U 3 6.139 3.711 5.680 31 H3 U 3 H3 U 3 2.073 1.708 5.263 32 H5 U 3 H5 U 3 4.823 -1.451 4.936 33 H6 U 3 H6 U 3 6.601 0.068 5.574 34 1H5* G 4 1H5' G 4 5.878 3.378 12.517 35 2H5* G 4 2H5' G 4 5.475 1.987 11.509 36 H4* G 4 H4' G 4 4.465 4.837 11.163 37 H3* G 4 H3' G 4 3.287 2.216 12.097 38 H2* G 4 H2' G 4 1.233 2.669 11.012 39 2HO* G 4 HO2' G 4 1.285 4.986 11.598 40 H1* G 4 H1' G 4 2.282 3.563 8.658 41 H8 G 4 H8 G 4 4.707 0.919 9.924 42 H1 G 4 H1 G 4 -0.267 -1.541 6.699 43 1H2 G 4 2H2 G 4 -1.831 0.026 6.370 44 2H2 G 4 1H2 G 4 -1.614 1.663 6.941 45 1H5* A 5 1H5' A 5 1.979 6.562 13.108 46 2H5* A 5 2H5' A 5 1.336 6.607 14.761 47 H4* A 5 H4' A 5 0.275 8.265 13.208 48 H3* A 5 H3' A 5 -1.456 6.142 14.479 49 H2* A 5 H2' A 5 -3.346 7.177 13.468 50 2HO* A 5 HO2' A 5 -2.775 9.321 13.848 51 H1* A 5 H1' A 5 -2.221 7.519 11.026 52 H8 A 5 H8 A 5 -0.838 4.203 12.102 53 1H6 A 5 1H6 A 5 -6.219 1.789 10.238 54 2H6 A 5 2H6 A 5 -4.552 1.426 10.676 55 H2 A 5 H2 A 5 -6.762 6.164 10.556 56 1H5* A 6 1H5' A 6 -4.350 7.196 18.042 57 2H5* A 6 2H5' A 6 -4.322 5.578 17.336 58 H4* A 6 H4' A 6 -5.578 8.095 16.185 59 H3* A 6 H3' A 6 -6.477 5.373 17.081 60 H2* A 6 H2' A 6 -8.021 5.095 15.344 61 2HO* A 6 HO2' A 6 -8.453 7.542 15.530 62 H1* A 6 H1' A 6 -6.422 5.941 13.337 63 H8 A 6 H8 A 6 -3.619 4.566 15.166 64 1H6 A 6 1H6 A 6 -5.450 -1.030 13.195 65 2H6 A 6 2H6 A 6 -4.091 -0.142 13.875 66 H2 A 6 H2 A 6 -8.877 1.699 12.814 67 1H5* G 7 1H5' G 7 -9.791 5.572 17.348 68 2H5* G 7 2H5' G 7 -10.439 5.152 18.946 69 H4* G 7 H4' G 7 -10.696 3.310 17.318 70 H3* G 7 H3' G 7 -8.747 2.771 19.572 71 H2* G 7 H2' G 7 -8.618 0.505 18.720 72 2HO* G 7 HO2' G 7 -10.982 0.619 18.151 73 H1* G 7 H1' G 7 -8.395 1.261 16.103 74 H8 G 7 H8 G 7 -6.443 3.738 18.270 75 H1 G 7 H1 G 7 -3.338 -1.764 17.119 76 1H2 G 7 2H2 G 7 -4.858 -3.356 16.639 77 2H2 G 7 1H2 G 7 -6.537 -2.927 16.306 78 1H5* G 8 1H5' G 8 -11.544 -0.613 19.445 79 2H5* G 8 2H5' G 8 -12.001 -0.993 21.114 80 H4* G 8 H4' G 8 -11.105 -2.966 19.892 81 H3* G 8 H3' G 8 -9.603 -1.919 22.296 82 H2* G 8 H2' G 8 -8.077 -3.747 22.081 83 2HO* G 8 HO2' G 8 -10.016 -5.148 21.506 84 H1* G 8 H1' G 8 -7.974 -3.733 19.315 85 H8 G 8 H8 G 8 -7.741 -0.136 20.547 86 H1 G 8 H1 G 8 -2.183 -3.375 20.685 87 1H2 G 8 2H2 G 8 -2.630 -5.578 20.778 88 2H2 G 8 1H2 G 8 -4.279 -6.173 20.574 89 1H5* C 9 1H5' C 9 -10.058 -6.263 23.171 90 2H5* C 9 2H5' C 9 -10.584 -6.311 24.864 91 H4* C 9 H4' C 9 -8.556 -7.623 24.628 92 H3* C 9 H3' C 9 -8.126 -4.981 26.048 93 H2* C 9 H2' C 9 -5.980 -5.651 26.578 94 2HO* C 9 HO2' C 9 -6.626 -7.870 27.058 95 H1* C 9 H1' C 9 -5.502 -6.797 24.068 96 1H4 C 9 2H4 C 9 -2.932 -1.014 23.550 97 2H4 C 9 1H4 C 9 -4.480 -0.199 23.738 98 H5 C 9 H5 C 9 -6.545 -1.449 24.228 99 H6 C 9 H6 C 9 -7.498 -3.652 24.462 100 1H5* U 10 1H5' U 10 -10.911 -3.623 27.951 101 2H5* U 10 2H5' U 10 -9.797 -4.295 26.810 102 H4* U 10 H4' U 10 -9.317 -2.288 29.048 103 H3* U 10 H3' U 10 -8.641 -2.248 26.074 104 H2* U 10 H2' U 10 -7.316 -0.377 26.594 105 2HO* U 10 HO2' U 10 -9.200 0.434 27.953 106 H1* U 10 H1' U 10 -6.919 -1.474 29.287 107 H3 U 10 H3 U 10 -2.804 0.052 27.741 108 H5 U 10 H5 U 10 -3.251 -3.949 26.554 109 H6 U 10 H6 U 10 -5.591 -3.816 27.169 110 H3T U 10 HO3' U 10 -10.569 -1.453 25.956 111 1H5* G 11 1H5' G 11 7.489 -1.576 24.415 112 2H5* G 11 2H5' G 11 8.162 -2.818 23.348 113 H4* G 11 H4' G 11 7.019 -4.056 24.960 114 H3* G 11 H3' G 11 5.078 -3.716 22.641 115 H2* G 11 H2' G 11 3.637 -5.206 23.770 116 2HO* G 11 HO2' G 11 5.516 -6.493 24.570 117 H1* G 11 H1' G 11 3.903 -3.947 26.185 118 H8 G 11 H8 G 11 4.125 -0.907 24.198 119 H1 G 11 H1 G 11 -1.801 -3.389 23.921 120 1H2 G 11 2H2 G 11 -1.713 -5.585 24.361 121 2H2 G 11 1H2 G 11 -0.206 -6.346 24.868 122 H5T G 11 H5' G 11 6.628 -2.408 21.840 123 1H5* C 12 1H5' C 12 5.641 -7.655 21.879 124 2H5* C 12 2H5' C 12 5.753 -7.976 20.140 125 H4* C 12 H4' C 12 3.612 -8.731 21.189 126 H3* C 12 H3' C 12 3.376 -6.538 19.110 127 H2* C 12 H2' C 12 0.994 -6.870 19.306 128 2HO* C 12 HO2' C 12 1.315 -9.244 19.561 129 H1* C 12 H1' C 12 1.013 -7.039 22.054 130 1H4 C 12 2H4 C 12 -0.630 -1.113 20.605 131 2H4 C 12 1H4 C 12 1.047 -0.577 20.566 132 H5 C 12 H5 C 12 2.925 -2.207 20.718 133 H6 C 12 H6 C 12 3.468 -4.541 21.046 134 1H5* C 13 1H5' C 13 0.680 -9.763 17.881 135 2H5* C 13 2H5' C 13 0.553 -9.813 16.116 136 H4* C 13 H4' C 13 -1.612 -9.385 17.385 137 H3* C 13 H3' C 13 -0.692 -7.372 15.316 138 H2* C 13 H2' C 13 -2.792 -6.245 15.710 139 2HO* C 13 HO2' C 13 -3.827 -8.461 16.000 140 H1* C 13 H1' C 13 -2.728 -6.522 18.441 141 1H4 C 13 2H4 C 13 -0.775 -0.664 17.468 142 2H4 C 13 1H4 C 13 0.920 -1.144 17.333 143 H5 C 13 H5 C 13 1.561 -3.566 17.295 144 H6 C 13 H6 C 13 0.684 -5.817 17.375 145 1H5* G 14 1H5' G 14 -4.681 -7.383 14.389 146 2H5* G 14 2H5' G 14 -4.885 -7.550 12.640 147 H4* G 14 H4' G 14 -5.816 -5.418 13.496 148 H3* G 14 H3' G 14 -3.497 -5.324 11.569 149 H2* G 14 H2' G 14 -3.595 -2.938 11.598 150 2HO* G 14 HO2' G 14 -6.035 -3.163 11.575 151 H1* G 14 H1' G 14 -4.180 -2.653 14.295 152 H8 G 14 H8 G 14 -1.492 -5.308 13.577 153 H1 G 14 H1 G 14 0.814 0.642 14.366 154 1H2 G 14 1H2 G 14 -0.734 2.066 14.289 155 2H2 G 14 2H2 G 14 -2.453 1.677 14.225 156 1H5* A 15 1H5' A 15 -6.888 -2.805 10.026 157 2H5* A 15 2H5' A 15 -7.266 -3.361 8.389 158 H4* A 15 H4' A 15 -7.060 -0.897 8.557 159 H3* A 15 H3' A 15 -6.111 -2.449 6.484 160 H2* A 15 H2' A 15 -3.912 -2.651 7.081 161 2HO* A 15 HO2' A 15 -4.309 -0.408 5.582 162 H1* A 15 H1' A 15 -3.636 0.098 8.238 163 H8 A 15 H8 A 15 -2.852 -3.688 8.586 164 1H6 A 15 1H6 A 15 2.071 -1.622 11.718 165 2H6 A 15 2H6 A 15 1.336 -3.039 10.973 166 H2 A 15 H2 A 15 -0.679 1.766 11.200 167 1H5* A 16 1H5' A 16 -7.577 2.158 3.908 168 2H5* A 16 2H5' A 16 -6.209 1.999 5.030 169 H4* A 16 H4' A 16 -8.652 3.780 5.452 170 H3* A 16 H3' A 16 -5.839 4.252 4.483 171 H2* A 16 H2' A 16 -5.611 6.209 5.818 172 2HO* A 16 HO2' A 16 -8.016 6.646 5.352 173 H1* A 16 H1' A 16 -6.664 5.200 8.093 174 H8 A 16 H8 A 16 -5.078 2.074 7.016 175 1H6 A 16 1H6 A 16 0.239 4.567 9.082 176 2H6 A 16 2H6 A 16 -0.461 3.061 8.497 177 H2 A 16 H2 A 16 -2.644 7.815 8.592 178 1H5* G 17 1H5' G 17 -6.673 8.091 4.198 179 2H5* G 17 2H5' G 17 -6.234 8.730 2.601 180 H4* G 17 H4' G 17 -4.883 9.742 4.418 181 H3* G 17 H3' G 17 -3.413 8.018 2.416 182 H2* G 17 H2' G 17 -1.366 8.575 3.558 183 2HO* G 17 HO2' G 17 -2.308 10.824 3.934 184 H1* G 17 H1' G 17 -2.343 8.274 6.084 185 H8 G 17 H8 G 17 -3.928 5.500 4.033 186 H1 G 17 H1 G 17 2.087 4.247 5.916 187 1H2 G 17 1H2 G 17 3.046 6.116 6.663 188 2H2 G 17 2H2 G 17 2.163 7.637 6.696 189 1H5* C 18 1H5' C 18 -1.002 11.581 2.715 190 2H5* C 18 2H5' C 18 -0.418 12.029 1.102 191 H4* C 18 H4' C 18 1.438 11.549 2.685 192 H3* C 18 H3' C 18 1.124 9.640 0.354 193 H2* C 18 H2' C 18 3.221 8.666 1.065 194 2HO* C 18 HO2' C 18 4.031 10.867 1.655 195 H1* C 18 H1' C 18 2.576 8.684 3.737 196 1H4 C 18 2H4 C 18 0.954 2.806 2.038 197 2H4 C 18 1H4 C 18 -0.622 3.358 1.491 198 H5 C 18 H5 C 18 -1.153 5.746 1.213 199 H6 C 18 H6 C 18 -0.372 7.980 1.638 200 1H5* C 19 1H5' C 19 5.251 11.156 0.131 201 2H5* C 19 2H5' C 19 5.680 11.358 -1.579 202 H4* C 19 H4' C 19 7.218 9.811 -0.393 203 H3* C 19 H3' C 19 5.483 8.545 -2.538 204 H2* C 19 H2' C 19 6.840 6.558 -2.209 205 2HO* C 19 HO2' C 19 8.759 8.052 -1.792 206 H1* C 19 H1' C 19 6.762 6.730 0.534 207 1H4 C 19 2H4 C 19 2.137 2.729 -0.921 208 2H4 C 19 1H4 C 19 0.954 4.027 -1.122 209 H5 C 19 H5 C 19 1.675 6.414 -1.161 210 H6 C 19 H6 C 19 3.567 7.879 -0.882 211 H2* PR5 20 H2' P5P 20 6.938 3.227 -6.582 212 2HO* PR5 20 HO2' P5P 20 9.345 3.001 -6.877 213 H1* PR5 20 H1' P5P 20 7.622 2.617 -3.987 214 H4* PR5 20 H4' P5P 20 9.795 4.927 -4.821 215 1H5* PR5 20 1H5' P5P 20 9.273 6.999 -3.537 216 2H5* PR5 20 2H5' P5P 20 9.534 7.300 -5.263 217 H3* PR5 20 H3' P5P 20 7.206 5.584 -6.285 218 H3T PR5 20 HO3' P5P 20 9.097 6.123 -7.415 219 H8 PR5 20 H8 P5P 20 5.639 5.859 -3.882 220 H3 PR5 20 H2 P5P 20 4.077 -0.252 -5.167 221 H6 PR5 20 H6 P5P 20 1.597 2.907 -4.117 Start of MODEL 10 1 1H5* G 1 1H5' G 1 6.720 -6.562 -3.019 2 2H5* G 1 2H5' G 1 7.404 -7.224 -1.528 3 H4* G 1 H4' G 1 9.099 -5.835 -2.307 4 H3* G 1 H3' G 1 7.468 -4.165 -0.360 5 H2* G 1 H2' G 1 9.134 -2.503 -0.539 6 2HO* G 1 HO2' G 1 10.873 -4.152 -0.805 7 H1* G 1 H1' G 1 9.050 -2.508 -3.254 8 H8 G 1 H8 G 1 5.583 -3.509 -2.972 9 H1 G 1 H1 G 1 6.334 2.399 -0.547 10 1H2 G 1 2H2 G 1 8.486 2.746 -0.067 11 2H2 G 1 1H2 G 1 9.712 1.525 -0.418 12 H5T G 1 H5' G 1 6.163 -5.856 -0.318 13 1H5* G 2 1H5' G 2 10.561 -3.948 1.877 14 2H5* G 2 2H5' G 2 10.232 -4.374 3.563 15 H4* G 2 H4' G 2 10.928 -2.012 3.227 16 H3* G 2 H3' G 2 8.123 -2.426 4.291 17 H2* G 2 H2' G 2 8.117 -0.036 4.653 18 2HO* G 2 HO2' G 2 10.464 -0.149 5.282 19 H1* G 2 H1' G 2 9.290 0.555 2.229 20 H8 G 2 H8 G 2 6.755 -2.170 1.556 21 H1 G 2 H1 G 2 4.145 3.624 2.664 22 1H2 G 2 2H2 G 2 5.707 4.985 3.549 23 2H2 G 2 1H2 G 2 7.359 4.409 3.768 24 1H5* U 3 1H5' U 3 10.016 0.270 7.105 25 2H5* U 3 2H5' U 3 9.452 -0.127 8.735 26 H4* U 3 H4' U 3 8.961 2.226 8.018 27 H3* U 3 H3' U 3 6.614 0.423 8.655 28 H2* U 3 H2' U 3 5.247 2.403 8.458 29 2HO* U 3 HO2' U 3 6.975 3.728 9.482 30 H1* U 3 H1' U 3 6.503 3.319 6.189 31 H3 U 3 H3 U 3 2.243 2.068 5.005 32 H5 U 3 H5 U 3 4.422 -1.511 5.080 33 H6 U 3 H6 U 3 6.289 -0.334 6.065 34 1H5* G 4 1H5' G 4 6.061 3.954 11.231 35 2H5* G 4 2H5' G 4 5.299 3.407 12.734 36 H4* G 4 H4' G 4 3.967 5.094 11.480 37 H3* G 4 H3' G 4 2.676 2.374 11.827 38 H2* G 4 H2' G 4 0.706 3.389 10.870 39 2HO* G 4 HO2' G 4 0.937 5.463 11.870 40 H1* G 4 H1' G 4 2.013 4.533 8.794 41 H8 G 4 H8 G 4 3.793 1.236 9.544 42 H1 G 4 H1 G 4 -1.725 0.467 6.357 43 1H2 G 4 2H2 G 4 -2.961 2.340 6.522 44 2H2 G 4 1H2 G 4 -2.338 3.769 7.293 45 1H5* A 5 1H5' A 5 -0.863 5.554 15.151 46 2H5* A 5 2H5' A 5 -1.701 4.598 13.902 47 H4* A 5 H4' A 5 -0.651 7.430 13.466 48 H3* A 5 H3' A 5 -3.322 6.465 14.465 49 H2* A 5 H2' A 5 -4.468 8.027 13.099 50 2HO* A 5 HO2' A 5 -2.887 9.769 13.399 51 H1* A 5 H1' A 5 -3.059 7.561 10.854 52 H8 A 5 H8 A 5 -2.712 4.130 11.645 53 1H6 A 5 1H6 A 5 -8.640 3.282 10.084 54 2H6 A 5 2H6 A 5 -7.122 2.476 10.443 55 H2 A 5 H2 A 5 -8.085 7.595 10.931 56 1H5* A 6 1H5' A 6 -5.422 8.138 17.468 57 2H5* A 6 2H5' A 6 -4.628 6.885 16.477 58 H4* A 6 H4' A 6 -7.206 8.309 15.681 59 H3* A 6 H3' A 6 -6.769 5.658 17.087 60 H2* A 6 H2' A 6 -8.720 4.854 15.900 61 2HO* A 6 HO2' A 6 -9.691 7.096 16.126 62 H1* A 6 H1' A 6 -7.957 5.864 13.496 63 H8 A 6 H8 A 6 -4.683 4.796 14.989 64 1H6 A 6 1H6 A 6 -6.291 -0.926 13.145 65 2H6 A 6 2H6 A 6 -4.914 0.022 13.684 66 H2 A 6 H2 A 6 -9.869 1.569 12.980 67 1H5* G 7 1H5' G 7 -10.525 5.304 17.576 68 2H5* G 7 2H5' G 7 -10.917 4.867 19.251 69 H4* G 7 H4' G 7 -11.479 3.054 17.670 70 H3* G 7 H3' G 7 -9.229 2.466 19.607 71 H2* G 7 H2' G 7 -9.260 0.203 18.745 72 2HO* G 7 HO2' G 7 -11.646 0.262 18.534 73 H1* G 7 H1' G 7 -9.372 0.947 16.129 74 H8 G 7 H8 G 7 -7.132 3.456 17.964 75 H1 G 7 H1 G 7 -4.245 -2.109 16.537 76 1H2 G 7 2H2 G 7 -5.823 -3.662 16.096 77 2H2 G 7 1H2 G 7 -7.519 -3.203 15.951 78 1H5* G 8 1H5' G 8 -12.251 -0.775 19.929 79 2H5* G 8 2H5' G 8 -12.349 -1.272 21.627 80 H4* G 8 H4' G 8 -11.830 -3.149 20.055 81 H3* G 8 H3' G 8 -9.797 -2.435 22.179 82 H2* G 8 H2' G 8 -8.551 -4.375 21.467 83 2HO* G 8 HO2' G 8 -10.662 -5.541 21.121 84 H1* G 8 H1' G 8 -8.872 -3.927 18.787 85 H8 G 8 H8 G 8 -8.275 -0.543 20.437 86 H1 G 8 H1 G 8 -2.933 -4.035 19.681 87 1H2 G 8 2H2 G 8 -3.503 -6.200 19.505 88 2H2 G 8 1H2 G 8 -5.190 -6.679 19.295 89 1H5* C 9 1H5' C 9 -10.497 -6.722 22.718 90 2H5* C 9 2H5' C 9 -10.471 -7.082 24.456 91 H4* C 9 H4' C 9 -8.721 -8.316 23.173 92 H3* C 9 H3' C 9 -7.764 -6.300 25.224 93 H2* C 9 H2' C 9 -5.531 -7.091 24.768 94 2HO* C 9 HO2' C 9 -6.525 -9.348 24.473 95 H1* C 9 H1' C 9 -5.862 -7.199 22.040 96 1H4 C 9 2H4 C 9 -2.955 -1.728 23.046 97 2H4 C 9 1H4 C 9 -4.466 -0.870 23.364 98 H5 C 9 H5 C 9 -6.616 -2.108 23.585 99 H6 C 9 H6 C 9 -7.631 -4.290 23.438 100 1H5* U 10 1H5' U 10 -5.205 -9.489 26.119 101 2H5* U 10 2H5' U 10 -5.226 -9.732 27.873 102 H4* U 10 H4' U 10 -2.950 -9.235 27.120 103 H3* U 10 H3' U 10 -4.248 -6.965 28.682 104 H2* U 10 H2' U 10 -2.096 -5.935 28.701 105 2HO* U 10 HO2' U 10 -1.073 -8.129 28.978 106 H1* U 10 H1' U 10 -1.554 -6.559 26.052 107 H3 U 10 H3 U 10 -2.061 -2.016 26.218 108 H5 U 10 H5 U 10 -5.979 -3.477 26.613 109 H6 U 10 H6 U 10 -5.098 -5.725 26.662 110 H3T U 10 HO3' U 10 -4.014 -8.896 29.848 111 1H5* G 11 1H5' G 11 7.289 -3.334 23.901 112 2H5* G 11 2H5' G 11 7.842 -4.459 22.651 113 H4* G 11 H4' G 11 6.736 -5.851 24.151 114 H3* G 11 H3' G 11 4.681 -5.102 22.039 115 H2* G 11 H2' G 11 3.240 -6.684 23.017 116 2HO* G 11 HO2' G 11 5.095 -8.129 23.572 117 H1* G 11 H1' G 11 3.629 -5.721 25.545 118 H8 G 11 H8 G 11 4.037 -2.452 24.134 119 H1 G 11 H1 G 11 -1.954 -4.499 23.023 120 1H2 G 11 2H2 G 11 -2.013 -6.735 23.135 121 2H2 G 11 1H2 G 11 -0.583 -7.666 23.594 122 H5T G 11 H5' G 11 6.230 -3.801 21.302 123 1H5* C 12 1H5' C 12 4.544 -8.792 20.993 124 2H5* C 12 2H5' C 12 4.734 -9.035 19.249 125 H4* C 12 H4' C 12 2.489 -9.668 20.095 126 H3* C 12 H3' C 12 2.540 -7.300 18.203 127 H2* C 12 H2' C 12 0.130 -7.495 18.212 128 2HO* C 12 HO2' C 12 0.294 -9.896 18.297 129 H1* C 12 H1' C 12 -0.036 -7.880 20.937 130 1H4 C 12 2H4 C 12 -1.228 -1.776 19.917 131 2H4 C 12 1H4 C 12 0.469 -1.332 20.105 132 H5 C 12 H5 C 12 2.235 -3.088 20.307 133 H6 C 12 H6 C 12 2.618 -5.470 20.430 134 1H5* C 13 1H5' C 13 -0.289 -10.215 16.583 135 2H5* C 13 2H5' C 13 -0.245 -10.164 14.814 136 H4* C 13 H4' C 13 -2.507 -9.681 15.830 137 H3* C 13 H3' C 13 -1.210 -7.521 14.147 138 H2* C 13 H2' C 13 -3.272 -6.334 14.349 139 2HO* C 13 HO2' C 13 -4.660 -8.118 14.037 140 H1* C 13 H1' C 13 -3.675 -6.987 17.011 141 1H4 C 13 2H4 C 13 -1.633 -1.040 16.867 142 2H4 C 13 1H4 C 13 0.067 -1.512 16.776 143 H5 C 13 H5 C 13 0.714 -3.919 16.544 144 H6 C 13 H6 C 13 -0.159 -6.172 16.362 145 1H5* G 14 1H5' G 14 -4.737 -6.744 10.310 146 2H5* G 14 2H5' G 14 -3.392 -5.835 11.002 147 H4* G 14 H4' G 14 -6.243 -5.908 12.066 148 H3* G 14 H3' G 14 -4.770 -4.188 10.172 149 H2* G 14 H2' G 14 -4.894 -2.160 11.320 150 2HO* G 14 HO2' G 14 -7.271 -2.613 11.542 151 H1* G 14 H1' G 14 -4.961 -2.980 13.944 152 H8 G 14 H8 G 14 -2.289 -5.208 12.652 153 H1 G 14 H1 G 14 -0.127 0.706 13.909 154 1H2 G 14 1H2 G 14 -1.719 2.084 14.081 155 2H2 G 14 2H2 G 14 -3.427 1.679 13.973 156 1H5* A 15 1H5' A 15 -8.424 -1.433 7.635 157 2H5* A 15 2H5' A 15 -6.675 -1.474 7.442 158 H4* A 15 H4' A 15 -8.364 0.506 9.012 159 H3* A 15 H3' A 15 -7.510 0.665 6.429 160 H2* A 15 H2' A 15 -5.264 0.028 6.811 161 2HO* A 15 HO2' A 15 -5.607 2.780 6.736 162 H1* A 15 H1' A 15 -4.935 1.891 9.147 163 H8 A 15 H8 A 15 -4.662 -1.932 8.242 164 1H6 A 15 1H6 A 15 0.995 -1.383 10.761 165 2H6 A 15 2H6 A 15 -0.095 -2.504 9.948 166 H2 A 15 H2 A 15 -1.068 2.471 11.228 167 1H5* A 16 1H5' A 16 -8.470 5.033 5.186 168 2H5* A 16 2H5' A 16 -7.018 4.641 6.128 169 H4* A 16 H4' A 16 -8.763 7.126 6.426 170 H3* A 16 H3' A 16 -5.956 6.604 5.400 171 H2* A 16 H2' A 16 -5.291 8.755 6.269 172 2HO* A 16 HO2' A 16 -7.539 9.600 5.738 173 H1* A 16 H1' A 16 -6.332 8.352 8.713 174 H8 A 16 H8 A 16 -5.538 4.831 7.766 175 1H6 A 16 1H6 A 16 0.373 6.160 9.068 176 2H6 A 16 2H6 A 16 -0.692 4.851 8.579 177 H2 A 16 H2 A 16 -1.836 9.951 8.978 178 1H5* G 17 1H5' G 17 -5.543 10.054 4.380 179 2H5* G 17 2H5' G 17 -4.911 10.292 2.743 180 H4* G 17 H4' G 17 -3.357 10.926 4.664 181 H3* G 17 H3' G 17 -2.430 8.894 2.622 182 H2* G 17 H2' G 17 -0.269 9.028 3.728 183 2HO* G 17 HO2' G 17 -0.648 11.402 4.127 184 H1* G 17 H1' G 17 -1.299 8.898 6.252 185 H8 G 17 H8 G 17 -3.385 6.555 4.100 186 H1 G 17 H1 G 17 2.372 4.189 5.748 187 1H2 G 17 1H2 G 17 3.602 5.762 6.652 188 2H2 G 17 2H2 G 17 2.985 7.398 6.871 189 1H5* C 18 1H5' C 18 0.604 12.031 2.974 190 2H5* C 18 2H5' C 18 1.338 12.352 1.397 191 H4* C 18 H4' C 18 2.984 11.666 3.163 192 H3* C 18 H3' C 18 2.673 9.867 0.747 193 H2* C 18 H2' C 18 4.607 8.677 1.594 194 2HO* C 18 HO2' C 18 5.587 10.743 2.335 195 H1* C 18 H1' C 18 3.722 8.661 4.194 196 1H4 C 18 2H4 C 18 1.864 3.064 1.821 197 2H4 C 18 1H4 C 18 0.349 3.768 1.275 198 H5 C 18 H5 C 18 -0.049 6.195 1.279 199 H6 C 18 H6 C 18 0.843 8.320 1.958 200 1H5* C 19 1H5' C 19 6.925 11.063 0.988 201 2H5* C 19 2H5' C 19 7.560 11.264 -0.656 202 H4* C 19 H4' C 19 8.840 9.595 0.678 203 H3* C 19 H3' C 19 7.323 8.500 -1.712 204 H2* C 19 H2' C 19 8.518 6.425 -1.280 205 2HO* C 19 HO2' C 19 10.447 7.771 -0.563 206 H1* C 19 H1' C 19 8.060 6.514 1.423 207 1H4 C 19 2H4 C 19 3.442 2.913 -0.879 208 2H4 C 19 1H4 C 19 2.374 4.298 -1.134 209 H5 C 19 H5 C 19 3.239 6.628 -0.932 210 H6 C 19 H6 C 19 5.161 7.940 -0.317 211 H2* PR5 20 H2' P5P 20 9.070 3.159 -5.644 212 2HO* PR5 20 HO2' P5P 20 11.524 2.795 -5.416 213 H1* PR5 20 H1' P5P 20 9.235 2.535 -2.973 214 H4* PR5 20 H4' P5P 20 11.708 4.683 -3.415 215 1H5* PR5 20 1H5' P5P 20 11.151 6.796 -2.260 216 2H5* PR5 20 2H5' P5P 20 11.635 7.072 -3.942 217 H3* PR5 20 H3' P5P 20 9.481 5.502 -5.313 218 H3T PR5 20 HO3' P5P 20 10.975 4.994 -6.846 219 H8 PR5 20 H8 P5P 20 7.515 5.905 -3.110 220 H3 PR5 20 H2 P5P 20 5.766 -0.005 -4.966 221 H6 PR5 20 H6 P5P 20 3.377 3.303 -4.204 Start of MODEL 11 1 1H5* G 1 1H5' G 1 4.679 -8.174 -1.465 2 2H5* G 1 2H5' G 1 5.580 -8.592 0.001 3 H4* G 1 H4' G 1 7.191 -7.574 -1.333 4 H3* G 1 H3' G 1 6.077 -5.383 0.457 5 H2* G 1 H2' G 1 7.784 -3.978 -0.372 6 2HO* G 1 HO2' G 1 9.321 -5.831 -0.555 7 H1* G 1 H1' G 1 7.202 -4.535 -2.967 8 H8 G 1 H8 G 1 3.783 -5.054 -1.903 9 H1 G 1 H1 G 1 5.406 1.100 -0.980 10 1H2 G 1 2H2 G 1 7.634 1.291 -0.925 11 2H2 G 1 1H2 G 1 8.673 -0.110 -1.197 12 H5T G 1 H5' G 1 4.676 -6.900 1.078 13 1H5* G 2 1H5' G 2 9.526 -5.117 2.128 14 2H5* G 2 2H5' G 2 9.447 -5.049 3.896 15 H4* G 2 H4' G 2 10.177 -2.926 2.737 16 H3* G 2 H3' G 2 7.706 -2.838 4.483 17 H2* G 2 H2' G 2 7.715 -0.467 4.111 18 2HO* G 2 HO2' G 2 10.166 -0.543 4.238 19 H1* G 2 H1' G 2 8.385 -0.609 1.434 20 H8 G 2 H8 G 2 5.704 -3.203 1.848 21 H1 G 2 H1 G 2 3.507 2.834 2.407 22 1H2 G 2 2H2 G 2 5.292 4.227 2.725 23 2H2 G 2 1H2 G 2 6.926 3.574 2.676 24 1H5* U 3 1H5' U 3 9.433 0.561 6.011 25 2H5* U 3 2H5' U 3 9.293 0.520 7.778 26 H4* U 3 H4' U 3 8.023 2.399 6.792 27 H3* U 3 H3' U 3 6.362 0.240 8.112 28 H2* U 3 H2' U 3 4.445 1.625 7.750 29 2HO* U 3 HO2' U 3 5.549 3.616 8.264 30 H1* U 3 H1' U 3 5.146 2.330 5.189 31 H3 U 3 H3 U 3 1.499 -0.337 4.772 32 H5 U 3 H5 U 3 4.682 -3.026 5.316 33 H6 U 3 H6 U 3 6.123 -1.157 5.814 34 1H5* G 4 1H5' G 4 5.613 4.351 10.030 35 2H5* G 4 2H5' G 4 5.262 4.033 11.738 36 H4* G 4 H4' G 4 3.523 5.409 10.651 37 H3* G 4 H3' G 4 2.647 2.668 11.614 38 H2* G 4 H2' G 4 0.409 3.358 11.037 39 2HO* G 4 HO2' G 4 0.779 5.597 11.769 40 H1* G 4 H1' G 4 1.091 4.422 8.612 41 H8 G 4 H8 G 4 3.141 1.262 9.467 42 H1 G 4 H1 G 4 -2.333 0.175 6.279 43 1H2 G 4 2H2 G 4 -3.633 2.024 6.334 44 2H2 G 4 1H2 G 4 -3.023 3.507 7.039 45 1H5* A 5 1H5' A 5 2.064 6.965 13.180 46 2H5* A 5 2H5' A 5 1.529 7.024 14.865 47 H4* A 5 H4' A 5 0.788 8.944 13.457 48 H3* A 5 H3' A 5 -1.391 7.251 14.689 49 H2* A 5 H2' A 5 -2.928 8.943 13.894 50 2HO* A 5 HO2' A 5 -1.385 10.767 14.193 51 H1* A 5 H1' A 5 -1.942 8.918 11.395 52 H8 A 5 H8 A 5 -1.234 5.374 12.181 53 1H6 A 5 1H6 A 5 -7.062 4.253 10.577 54 2H6 A 5 2H6 A 5 -5.502 3.540 10.969 55 H2 A 5 H2 A 5 -6.774 8.582 11.582 56 1H5* A 6 1H5' A 6 -3.450 8.723 18.139 57 2H5* A 6 2H5' A 6 -2.913 7.562 16.892 58 H4* A 6 H4' A 6 -5.338 9.382 16.560 59 H3* A 6 H3' A 6 -5.189 6.562 17.656 60 H2* A 6 H2' A 6 -7.341 6.182 16.606 61 2HO* A 6 HO2' A 6 -7.921 8.512 17.127 62 H1* A 6 H1' A 6 -6.633 7.293 14.231 63 H8 A 6 H8 A 6 -3.448 5.660 15.378 64 1H6 A 6 1H6 A 6 -6.052 0.262 13.714 65 2H6 A 6 2H6 A 6 -4.518 0.993 14.147 66 H2 A 6 H2 A 6 -9.182 3.326 13.628 67 1H5* G 7 1H5' G 7 -8.873 6.658 18.386 68 2H5* G 7 2H5' G 7 -9.242 6.144 20.042 69 H4* G 7 H4' G 7 -10.136 4.581 18.330 70 H3* G 7 H3' G 7 -7.991 3.523 20.182 71 H2* G 7 H2' G 7 -8.369 1.353 19.184 72 2HO* G 7 HO2' G 7 -10.726 1.810 19.027 73 H1* G 7 H1' G 7 -8.410 2.265 16.614 74 H8 G 7 H8 G 7 -5.755 4.358 18.318 75 H1 G 7 H1 G 7 -3.835 -1.637 17.004 76 1H2 G 7 2H2 G 7 -5.652 -2.938 16.674 77 2H2 G 7 1H2 G 7 -7.262 -2.223 16.591 78 1H5* G 8 1H5' G 8 -11.482 0.782 20.342 79 2H5* G 8 2H5' G 8 -11.703 0.265 22.022 80 H4* G 8 H4' G 8 -11.471 -1.636 20.410 81 H3* G 8 H3' G 8 -9.418 -1.307 22.605 82 H2* G 8 H2' G 8 -8.441 -3.383 21.879 83 2HO* G 8 HO2' G 8 -10.702 -4.211 21.446 84 H1* G 8 H1' G 8 -8.635 -2.861 19.194 85 H8 G 8 H8 G 8 -7.566 0.373 20.901 86 H1 G 8 H1 G 8 -2.783 -3.818 19.952 87 1H2 G 8 2H2 G 8 -3.647 -5.876 19.704 88 2H2 G 8 1H2 G 8 -5.391 -6.114 19.569 89 1H5* C 9 1H5' C 9 -10.762 -5.458 22.954 90 2H5* C 9 2H5' C 9 -10.911 -5.853 24.678 91 H4* C 9 H4' C 9 -9.269 -7.317 23.480 92 H3* C 9 H3' C 9 -8.302 -5.517 25.703 93 H2* C 9 H2' C 9 -6.114 -6.267 25.382 94 2HO* C 9 HO2' C 9 -6.707 -8.515 25.325 95 H1* C 9 H1' C 9 -6.263 -6.673 22.612 96 1H4 C 9 2H4 C 9 -2.575 -1.632 23.347 97 2H4 C 9 1H4 C 9 -3.920 -0.560 23.740 98 H5 C 9 H5 C 9 -6.220 -1.468 24.077 99 H6 C 9 H6 C 9 -7.562 -3.477 23.969 100 1H5* U 10 1H5' U 10 -5.969 -7.514 29.179 101 2H5* U 10 2H5' U 10 -6.052 -6.244 27.948 102 H4* U 10 H4' U 10 -4.278 -8.683 27.565 103 H3* U 10 H3' U 10 -3.741 -6.157 29.156 104 H2* U 10 H2' U 10 -1.484 -6.184 28.378 105 2HO* U 10 HO2' U 10 -0.693 -7.929 27.113 106 H1* U 10 H1' U 10 -2.151 -6.689 25.753 107 H3 U 10 H3 U 10 -0.744 -2.315 26.349 108 H5 U 10 H5 U 10 -4.893 -2.269 26.976 109 H6 U 10 H6 U 10 -4.904 -4.678 26.878 110 H3T U 10 HO3' U 10 -2.547 -8.686 29.427 111 1H5* G 11 1H5' G 11 7.780 -5.783 24.721 112 2H5* G 11 2H5' G 11 8.052 -6.148 23.007 113 H4* G 11 H4' G 11 6.268 -7.552 24.018 114 H3* G 11 H3' G 11 5.322 -5.614 21.882 115 H2* G 11 H2' G 11 3.244 -6.839 21.983 116 2HO* G 11 HO2' G 11 4.434 -8.910 22.265 117 H1* G 11 H1' G 11 3.266 -7.003 24.751 118 H8 G 11 H8 G 11 4.304 -3.479 23.949 119 H1 G 11 H1 G 11 -1.985 -4.513 23.074 120 1H2 G 11 2H2 G 11 -2.367 -6.724 23.011 121 2H2 G 11 1H2 G 11 -1.058 -7.886 23.242 122 H5T G 11 H5' G 11 6.488 -4.011 24.028 123 1H5* C 12 1H5' C 12 4.126 -9.565 20.532 124 2H5* C 12 2H5' C 12 4.234 -9.632 18.765 125 H4* C 12 H4' C 12 1.949 -10.123 19.666 126 H3* C 12 H3' C 12 2.229 -7.671 17.906 127 H2* C 12 H2' C 12 -0.186 -7.590 17.958 128 2HO* C 12 HO2' C 12 -0.313 -9.990 17.906 129 H1* C 12 H1' C 12 -0.351 -8.098 20.658 130 1H4 C 12 2H4 C 12 -0.826 -1.844 20.129 131 2H4 C 12 1H4 C 12 0.922 -1.621 20.149 132 H5 C 12 H5 C 12 2.466 -3.574 20.041 133 H6 C 12 H6 C 12 2.566 -5.986 20.001 134 1H5* C 13 1H5' C 13 -0.968 -10.138 16.167 135 2H5* C 13 2H5' C 13 -0.967 -9.924 14.409 136 H4* C 13 H4' C 13 -3.125 -9.284 15.533 137 H3* C 13 H3' C 13 -1.630 -7.094 14.066 138 H2* C 13 H2' C 13 -3.567 -5.745 14.459 139 2HO* C 13 HO2' C 13 -5.133 -7.348 14.028 140 H1* C 13 H1' C 13 -3.926 -6.592 17.060 141 1H4 C 13 2H4 C 13 -1.107 -0.931 17.075 142 2H4 C 13 1H4 C 13 0.497 -1.611 16.784 143 H5 C 13 H5 C 13 0.800 -4.064 16.418 144 H6 C 13 H6 C 13 -0.370 -6.170 16.213 145 1H5* G 14 1H5' G 14 -5.163 -5.474 10.478 146 2H5* G 14 2H5' G 14 -3.724 -4.785 11.240 147 H4* G 14 H4' G 14 -6.523 -4.822 12.432 148 H3* G 14 H3' G 14 -5.132 -2.914 10.679 149 H2* G 14 H2' G 14 -4.894 -1.102 12.111 150 2HO* G 14 HO2' G 14 -7.334 -1.799 12.666 151 H1* G 14 H1' G 14 -4.795 -2.273 14.590 152 H8 G 14 H8 G 14 -2.485 -4.589 12.954 153 H1 G 14 H1 G 14 0.285 1.111 14.020 154 1H2 G 14 1H2 G 14 -1.133 2.605 14.313 155 2H2 G 14 2H2 G 14 -2.868 2.365 14.441 156 1H5* A 15 1H5' A 15 -8.335 -0.477 10.783 157 2H5* A 15 2H5' A 15 -9.401 -0.659 9.379 158 H4* A 15 H4' A 15 -8.724 1.638 9.608 159 H3* A 15 H3' A 15 -8.475 0.279 7.235 160 H2* A 15 H2' A 15 -6.316 -0.278 7.255 161 2HO* A 15 HO2' A 15 -6.150 2.397 6.374 162 H1* A 15 H1' A 15 -5.299 2.193 8.604 163 H8 A 15 H8 A 15 -5.109 -1.655 8.266 164 1H6 A 15 2H6 A 15 0.446 -0.913 10.903 165 2H6 A 15 1H6 A 15 -0.610 -2.064 10.092 166 H2 A 15 H2 A 15 -1.730 2.882 11.327 167 1H5* A 16 1H5' A 16 -6.625 5.124 5.488 168 2H5* A 16 2H5' A 16 -4.989 4.754 6.051 169 H4* A 16 H4' A 16 -6.950 6.617 7.478 170 H3* A 16 H3' A 16 -4.476 7.070 5.772 171 H2* A 16 H2' A 16 -4.048 9.031 7.068 172 2HO* A 16 HO2' A 16 -6.499 9.352 7.177 173 H1* A 16 H1' A 16 -4.636 7.832 9.461 174 H8 A 16 H8 A 16 -2.816 4.995 8.221 175 1H6 A 16 1H6 A 16 2.443 8.220 8.971 176 2H6 A 16 2H6 A 16 1.773 6.599 8.759 177 H2 A 16 H2 A 16 -0.895 11.065 9.130 178 1H5* G 17 1H5' G 17 -4.626 10.362 5.225 179 2H5* G 17 2H5' G 17 -4.361 10.881 3.548 180 H4* G 17 H4' G 17 -2.330 11.174 4.959 181 H3* G 17 H3' G 17 -2.138 9.089 2.770 182 H2* G 17 H2' G 17 0.184 8.833 3.375 183 2HO* G 17 HO2' G 17 0.319 11.218 3.816 184 H1* G 17 H1' G 17 -0.257 8.809 6.075 185 H8 G 17 H8 G 17 -3.042 6.996 4.121 186 H1 G 17 H1 G 17 1.982 3.302 5.623 187 1H2 G 17 1H2 G 17 3.648 4.594 6.487 188 2H2 G 17 2H2 G 17 3.464 6.339 6.548 189 1H5* C 18 1H5' C 18 1.347 11.742 2.381 190 2H5* C 18 2H5' C 18 1.735 11.933 0.662 191 H4* C 18 H4' C 18 3.627 10.961 1.995 192 H3* C 18 H3' C 18 2.362 9.230 -0.142 193 H2* C 18 H2' C 18 4.055 7.622 0.285 194 2HO* C 18 HO2' C 18 5.810 9.093 0.395 195 H1* C 18 H1' C 18 4.114 8.050 3.050 196 1H4 C 18 2H4 C 18 1.086 2.558 1.992 197 2H4 C 18 1H4 C 18 -0.350 3.373 1.394 198 H5 C 18 H5 C 18 -0.422 5.822 1.058 199 H6 C 18 H6 C 18 0.816 7.880 1.344 200 1H5* C 19 1H5' C 19 6.919 9.859 -0.870 201 2H5* C 19 2H5' C 19 7.104 9.931 -2.634 202 H4* C 19 H4' C 19 8.625 8.248 -1.585 203 H3* C 19 H3' C 19 6.475 7.251 -3.472 204 H2* C 19 H2' C 19 7.374 5.067 -3.231 205 2HO* C 19 HO2' C 19 9.588 5.814 -3.415 206 H1* C 19 H1' C 19 8.004 5.305 -0.525 207 1H4 C 19 2H4 C 19 2.708 1.855 -0.638 208 2H4 C 19 1H4 C 19 1.689 3.274 -0.869 209 H5 C 19 H5 C 19 2.675 5.493 -1.384 210 H6 C 19 H6 C 19 4.751 6.708 -1.589 211 H2* PR5 20 H2' P5P 20 7.199 0.276 -6.181 212 2HO* PR5 20 HO2' P5P 20 9.716 1.069 -5.115 213 H1* PR5 20 H1' P5P 20 7.803 1.001 -3.650 214 H4* PR5 20 H4' P5P 20 9.533 3.335 -5.826 215 1H5* PR5 20 1H5' P5P 20 7.862 4.856 -7.139 216 2H5* PR5 20 2H5' P5P 20 6.913 4.843 -5.642 217 H3* PR5 20 H3' P5P 20 6.854 2.525 -6.962 218 H3T PR5 20 HO3' P5P 20 9.329 1.418 -7.630 219 H8 PR5 20 H8 P5P 20 5.661 3.889 -4.054 220 H3 PR5 20 H2 P5P 20 4.309 -2.361 -4.814 221 H6 PR5 20 H6 P5P 20 1.718 0.809 -4.129 Start of MODEL 12 1 1H5* G 1 1H5' G 1 6.640 -5.617 -3.602 2 2H5* G 1 2H5' G 1 7.469 -6.354 -2.223 3 H4* G 1 H4' G 1 9.062 -4.885 -3.063 4 H3* G 1 H3' G 1 7.593 -3.367 -0.877 5 H2* G 1 H2' G 1 9.206 -1.661 -1.112 6 2HO* G 1 HO2' G 1 10.938 -3.258 -1.627 7 H1* G 1 H1' G 1 8.885 -1.518 -3.807 8 H8 G 1 H8 G 1 5.470 -2.577 -3.304 9 H1 G 1 H1 G 1 6.351 3.175 -0.569 10 1H2 G 1 2H2 G 1 8.526 3.526 -0.238 11 2H2 G 1 1H2 G 1 9.737 2.356 -0.772 12 H5T G 1 H5' G 1 6.322 -5.092 -0.823 13 1H5* G 2 1H5' G 2 10.868 -3.250 1.088 14 2H5* G 2 2H5' G 2 10.696 -3.731 2.784 15 H4* G 2 H4' G 2 11.294 -1.324 2.406 16 H3* G 2 H3' G 2 8.684 -1.905 3.825 17 H2* G 2 H2' G 2 8.561 0.469 4.207 18 2HO* G 2 HO2' G 2 10.978 0.494 4.545 19 H1* G 2 H1' G 2 9.418 1.180 1.684 20 H8 G 2 H8 G 2 6.960 -1.626 1.155 21 H1 G 2 H1 G 2 4.209 3.956 2.851 22 1H2 G 2 2H2 G 2 5.782 5.318 3.723 23 2H2 G 2 1H2 G 2 7.475 4.824 3.724 24 1H5* U 3 1H5' U 3 10.740 0.882 6.419 25 2H5* U 3 2H5' U 3 10.411 0.463 8.108 26 H4* U 3 H4' U 3 9.631 2.767 7.389 27 H3* U 3 H3' U 3 7.651 0.775 8.502 28 H2* U 3 H2' U 3 5.968 2.465 8.331 29 2HO* U 3 HO2' U 3 7.648 4.101 9.046 30 H1* U 3 H1' U 3 6.828 3.506 5.917 31 H3 U 3 H3 U 3 2.673 1.872 5.102 32 H5 U 3 H5 U 3 5.188 -1.490 4.929 33 H6 U 3 H6 U 3 6.994 -0.149 5.817 34 1H5* G 4 1H5' G 4 6.682 4.476 10.697 35 2H5* G 4 2H5' G 4 6.278 3.973 12.346 36 H4* G 4 H4' G 4 4.368 5.075 11.183 37 H3* G 4 H3' G 4 4.052 2.140 11.797 38 H2* G 4 H2' G 4 1.750 2.324 11.217 39 2HO* G 4 HO2' G 4 1.954 4.942 11.725 40 H1* G 4 H1' G 4 2.366 3.603 8.873 41 H8 G 4 H8 G 4 4.847 0.870 10.148 42 H1 G 4 H1 G 4 0.182 -1.256 6.279 43 1H2 G 4 2H2 G 4 -1.192 0.424 5.736 44 2H2 G 4 1H2 G 4 -0.935 2.045 6.345 45 1H5* A 5 1H5' A 5 0.603 4.725 15.818 46 2H5* A 5 2H5' A 5 -0.558 3.887 14.786 47 H4* A 5 H4' A 5 0.483 6.730 14.477 48 H3* A 5 H3' A 5 -2.126 5.361 15.097 49 H2* A 5 H2' A 5 -3.397 6.838 13.771 50 2HO* A 5 HO2' A 5 -1.835 8.624 14.558 51 H1* A 5 H1' A 5 -1.722 6.952 11.636 52 H8 A 5 H8 A 5 -1.114 3.436 12.456 53 1H6 A 5 1H6 A 5 -6.406 2.238 9.443 54 2H6 A 5 2H6 A 5 -4.894 1.535 10.009 55 H2 A 5 H2 A 5 -6.421 6.507 10.513 56 1H5* A 6 1H5' A 6 -3.995 8.752 15.840 57 2H5* A 6 2H5' A 6 -4.836 8.596 17.396 58 H4* A 6 H4' A 6 -6.432 8.795 15.542 59 H3* A 6 H3' A 6 -6.379 6.085 16.891 60 H2* A 6 H2' A 6 -8.235 5.482 15.461 61 2HO* A 6 HO2' A 6 -9.052 7.782 15.668 62 H1* A 6 H1' A 6 -7.158 6.472 13.182 63 H8 A 6 H8 A 6 -4.287 5.052 15.240 64 1H6 A 6 1H6 A 6 -5.984 -0.467 12.936 65 2H6 A 6 2H6 A 6 -4.676 0.360 13.759 66 H2 A 6 H2 A 6 -9.152 2.412 11.971 67 1H5* G 7 1H5' G 7 -10.206 5.921 16.697 68 2H5* G 7 2H5' G 7 -10.886 5.435 18.259 69 H4* G 7 H4' G 7 -11.224 3.734 16.475 70 H3* G 7 H3' G 7 -9.505 2.946 18.834 71 H2* G 7 H2' G 7 -9.470 0.712 17.898 72 2HO* G 7 HO2' G 7 -11.749 0.954 17.168 73 H1* G 7 H1' G 7 -8.974 1.522 15.342 74 H8 G 7 H8 G 7 -6.985 3.857 17.603 75 H1 G 7 H1 G 7 -4.290 -1.926 16.789 76 1H2 G 7 2H2 G 7 -5.859 -3.376 16.069 77 2H2 G 7 1H2 G 7 -7.462 -2.806 15.605 78 1H5* G 8 1H5' G 8 -12.698 -0.104 18.298 79 2H5* G 8 2H5' G 8 -13.248 -0.616 19.903 80 H4* G 8 H4' G 8 -12.472 -2.507 18.452 81 H3* G 8 H3' G 8 -11.029 -1.946 21.048 82 H2* G 8 H2' G 8 -9.721 -3.925 20.649 83 2HO* G 8 HO2' G 8 -11.730 -4.983 19.743 84 H1* G 8 H1' G 8 -9.338 -3.470 17.968 85 H8 G 8 H8 G 8 -8.994 -0.138 19.802 86 H1 G 8 H1 G 8 -3.738 -3.838 19.998 87 1H2 G 8 2H2 G 8 -4.326 -5.969 19.610 88 2H2 G 8 1H2 G 8 -5.967 -6.377 19.101 89 1H5* C 9 1H5' C 9 -12.001 -6.234 21.239 90 2H5* C 9 2H5' C 9 -12.519 -6.572 22.903 91 H4* C 9 H4' C 9 -10.545 -7.931 22.258 92 H3* C 9 H3' C 9 -10.130 -5.838 24.404 93 H2* C 9 H2' C 9 -7.921 -6.651 24.679 94 2HO* C 9 HO2' C 9 -8.464 -8.888 24.588 95 H1* C 9 H1' C 9 -7.461 -7.098 21.974 96 1H4 C 9 2H4 C 9 -4.466 -1.717 23.398 97 2H4 C 9 1H4 C 9 -5.959 -0.783 23.446 98 H5 C 9 H5 C 9 -8.177 -1.887 23.274 99 H6 C 9 H6 C 9 -9.284 -3.999 22.892 100 1H5* U 10 1H5' U 10 -8.914 -10.127 25.881 101 2H5* U 10 2H5' U 10 -9.377 -10.122 27.595 102 H4* U 10 H4' U 10 -7.016 -10.820 27.299 103 H3* U 10 H3' U 10 -7.463 -8.143 28.671 104 H2* U 10 H2' U 10 -5.121 -8.120 29.140 105 2HO* U 10 HO2' U 10 -5.304 -10.595 29.474 106 H1* U 10 H1' U 10 -4.399 -9.150 26.650 107 H3 U 10 H3 U 10 -2.700 -4.931 26.540 108 H5 U 10 H5 U 10 -6.851 -4.303 26.480 109 H6 U 10 H6 U 10 -7.176 -6.684 26.770 110 H3T U 10 HO3' U 10 -7.415 -9.366 30.490 111 1H5* G 11 1H5' G 11 5.599 -3.909 26.593 112 2H5* G 11 2H5' G 11 6.245 -4.396 25.014 113 H4* G 11 H4' G 11 4.784 -6.134 25.918 114 H3* G 11 H3' G 11 3.708 -4.682 23.489 115 H2* G 11 H2' G 11 1.915 -6.282 23.474 116 2HO* G 11 HO2' G 11 3.477 -8.005 24.199 117 H1* G 11 H1' G 11 1.445 -6.150 26.162 118 H8 G 11 H8 G 11 2.292 -2.601 25.370 119 H1 G 11 H1 G 11 -3.530 -4.301 23.219 120 1H2 G 11 2H2 G 11 -3.676 -6.550 23.169 121 2H2 G 11 1H2 G 11 -2.353 -7.550 23.772 122 H5T G 11 H5' G 11 5.557 -2.282 24.858 123 1H5* C 12 1H5' C 12 3.379 -8.719 22.347 124 2H5* C 12 2H5' C 12 3.876 -8.917 20.657 125 H4* C 12 H4' C 12 1.522 -9.619 21.080 126 H3* C 12 H3' C 12 1.909 -7.245 19.236 127 H2* C 12 H2' C 12 -0.459 -7.429 18.791 128 2HO* C 12 HO2' C 12 -0.327 -9.832 18.902 129 H1* C 12 H1' C 12 -1.146 -7.798 21.424 130 1H4 C 12 2H4 C 12 -2.051 -1.659 20.470 131 2H4 C 12 1H4 C 12 -0.385 -1.262 20.882 132 H5 C 12 H5 C 12 1.315 -3.053 21.214 133 H6 C 12 H6 C 12 1.637 -5.441 21.323 134 1H5* C 13 1H5' C 13 -0.603 -10.126 17.081 135 2H5* C 13 2H5' C 13 -0.242 -10.022 15.350 136 H4* C 13 H4' C 13 -2.639 -9.540 15.932 137 H3* C 13 H3' C 13 -1.049 -7.299 14.657 138 H2* C 13 H2' C 13 -3.130 -6.120 14.523 139 2HO* C 13 HO2' C 13 -4.422 -7.889 13.882 140 H1* C 13 H1' C 13 -3.986 -6.857 17.039 141 1H4 C 13 2H4 C 13 -1.723 -0.981 17.422 142 2H4 C 13 1H4 C 13 -0.042 -1.519 17.518 143 H5 C 13 H5 C 13 0.542 -3.936 17.296 144 H6 C 13 H6 C 13 -0.375 -6.144 16.938 145 1H5* G 14 1H5' G 14 -3.762 -6.295 10.250 146 2H5* G 14 2H5' G 14 -2.611 -5.392 11.236 147 H4* G 14 H4' G 14 -5.616 -5.581 11.687 148 H3* G 14 H3' G 14 -3.877 -3.634 10.306 149 H2* G 14 H2' G 14 -4.227 -1.760 11.629 150 2HO* G 14 HO2' G 14 -6.654 -2.622 11.512 151 H1* G 14 H1' G 14 -4.685 -2.849 14.097 152 H8 G 14 H8 G 14 -1.850 -4.996 13.150 153 H1 G 14 H1 G 14 0.080 0.901 14.773 154 1H2 G 14 1H2 G 14 -1.650 2.244 14.989 155 2H2 G 14 2H2 G 14 -3.268 1.797 14.538 156 1H5* A 15 1H5' A 15 -6.804 -1.477 8.756 157 2H5* A 15 2H5' A 15 -7.316 -2.025 7.147 158 H4* A 15 H4' A 15 -6.514 0.258 7.016 159 H3* A 15 H3' A 15 -5.577 -1.752 5.329 160 H2* A 15 H2' A 15 -3.542 -2.185 6.217 161 2HO* A 15 HO2' A 15 -3.369 -0.077 4.521 162 H1* A 15 H1' A 15 -2.979 0.563 7.237 163 H8 A 15 H8 A 15 -2.901 -3.238 7.924 164 1H6 A 15 1H6 A 15 1.628 -1.661 11.869 165 2H6 A 15 2H6 A 15 0.853 -3.017 11.058 166 H2 A 15 H2 A 15 -0.442 2.024 10.681 167 1H5* A 16 1H5' A 16 -6.520 3.259 2.991 168 2H5* A 16 2H5' A 16 -5.295 2.922 4.230 169 H4* A 16 H4' A 16 -7.891 4.478 4.638 170 H3* A 16 H3' A 16 -4.998 5.217 4.264 171 H2* A 16 H2' A 16 -5.063 6.833 6.007 172 2HO* A 16 HO2' A 16 -7.389 7.327 5.298 173 H1* A 16 H1' A 16 -6.336 5.310 7.828 174 H8 A 16 H8 A 16 -4.557 2.503 6.280 175 1H6 A 16 1H6 A 16 0.422 4.437 9.445 176 2H6 A 16 2H6 A 16 -0.197 3.107 8.465 177 H2 A 16 H2 A 16 -2.443 7.752 9.337 178 1H5* G 17 1H5' G 17 -5.626 8.902 4.594 179 2H5* G 17 2H5' G 17 -4.989 9.824 3.216 180 H4* G 17 H4' G 17 -3.761 10.323 5.306 181 H3* G 17 H3' G 17 -2.197 8.881 3.153 182 H2* G 17 H2' G 17 -0.258 9.077 4.574 183 2HO* G 17 HO2' G 17 -1.113 11.281 5.274 184 H1* G 17 H1' G 17 -1.535 8.377 6.883 185 H8 G 17 H8 G 17 -2.973 6.217 4.095 186 H1 G 17 H1 G 17 2.724 4.190 6.268 187 1H2 G 17 1H2 G 17 3.603 5.720 7.634 188 2H2 G 17 2H2 G 17 2.763 7.231 7.956 189 1H5* C 18 1H5' C 18 0.424 12.053 4.299 190 2H5* C 18 2H5' C 18 1.179 12.742 2.851 191 H4* C 18 H4' C 18 2.849 11.814 4.434 192 H3* C 18 H3' C 18 2.597 10.382 1.775 193 H2* C 18 H2' C 18 4.559 9.133 2.445 194 2HO* C 18 HO2' C 18 5.460 11.116 3.494 195 H1* C 18 H1' C 18 3.674 8.717 5.015 196 1H4 C 18 2H4 C 18 1.920 3.448 1.971 197 2H4 C 18 1H4 C 18 0.417 4.197 1.449 198 H5 C 18 H5 C 18 0.004 6.615 1.695 199 H6 C 18 H6 C 18 0.844 8.647 2.670 200 1H5* C 19 1H5' C 19 6.826 11.562 2.180 201 2H5* C 19 2H5' C 19 7.429 12.047 0.584 202 H4* C 19 H4' C 19 8.763 10.210 1.596 203 H3* C 19 H3' C 19 7.217 9.493 -0.916 204 H2* C 19 H2' C 19 8.454 7.402 -0.856 205 2HO* C 19 HO2' C 19 10.373 8.664 0.044 206 H1* C 19 H1' C 19 8.072 7.038 1.839 207 1H4 C 19 2H4 C 19 3.458 3.695 -0.783 208 2H4 C 19 1H4 C 19 2.348 5.071 -0.789 209 H5 C 19 H5 C 19 3.167 7.373 -0.285 210 H6 C 19 H6 C 19 5.084 8.636 0.445 211 H2* PR5 20 H2' P5P 20 8.975 4.833 -5.609 212 2HO* PR5 20 HO2' P5P 20 11.390 4.522 -5.651 213 H1* PR5 20 H1' P5P 20 9.307 3.813 -3.074 214 H4* PR5 20 H4' P5P 20 11.651 6.096 -3.289 215 1H5* PR5 20 1H5' P5P 20 11.071 7.980 -1.777 216 2H5* PR5 20 2H5' P5P 20 11.523 8.527 -3.400 217 H3* PR5 20 H3' P5P 20 9.290 7.105 -4.926 218 H3T PR5 20 HO3' P5P 20 11.325 7.698 -5.734 219 H8 PR5 20 H8 P5P 20 7.444 7.127 -2.773 220 H3 PR5 20 H2 P5P 20 5.844 1.306 -5.008 221 H6 PR5 20 H6 P5P 20 3.363 4.442 -3.890 Start of MODEL 13 1 1H5* G 1 1H5' G 1 6.104 -6.451 -3.192 2 2H5* G 1 2H5' G 1 6.866 -7.129 -1.746 3 H4* G 1 H4' G 1 8.565 -5.843 -2.679 4 H3* G 1 H3' G 1 7.189 -4.066 -0.633 5 H2* G 1 H2' G 1 8.911 -2.491 -0.985 6 2HO* G 1 HO2' G 1 10.539 -4.230 -1.354 7 H1* G 1 H1' G 1 8.615 -2.535 -3.683 8 H8 G 1 H8 G 1 5.137 -3.341 -3.130 9 H1 G 1 H1 G 1 6.356 2.546 -0.852 10 1H2 G 1 2H2 G 1 8.549 2.779 -0.500 11 2H2 G 1 1H2 G 1 9.683 1.495 -0.933 12 H5T G 1 H5' G 1 5.795 -5.688 -0.469 13 1H5* G 2 1H5' G 2 10.489 -4.149 1.431 14 2H5* G 2 2H5' G 2 10.211 -4.404 3.160 15 H4* G 2 H4' G 2 11.060 -2.122 2.503 16 H3* G 2 H3' G 2 8.402 -2.299 3.939 17 H2* G 2 H2' G 2 8.476 0.110 4.027 18 2HO* G 2 HO2' G 2 10.903 -0.046 4.354 19 H1* G 2 H1' G 2 9.342 0.434 1.439 20 H8 G 2 H8 G 2 6.752 -2.262 1.145 21 H1 G 2 H1 G 2 4.261 3.511 2.575 22 1H2 G 2 2H2 G 2 5.915 4.852 3.338 23 2H2 G 2 1H2 G 2 7.585 4.287 3.323 24 1H5* U 3 1H5' U 3 10.086 0.746 6.136 25 2H5* U 3 2H5' U 3 9.843 0.435 7.864 26 H4* U 3 H4' U 3 8.761 2.547 7.085 27 H3* U 3 H3' U 3 6.998 0.339 8.154 28 H2* U 3 H2' U 3 5.128 1.781 7.906 29 2HO* U 3 HO2' U 3 6.145 3.667 8.731 30 H1* U 3 H1' U 3 5.938 2.913 5.512 31 H3 U 3 H3 U 3 2.074 0.672 4.594 32 H5 U 3 H5 U 3 5.054 -2.280 4.555 33 H6 U 3 H6 U 3 6.618 -0.673 5.457 34 1H5* G 4 1H5' G 4 6.216 4.280 10.432 35 2H5* G 4 2H5' G 4 5.842 3.790 12.093 36 H4* G 4 H4' G 4 4.069 5.205 11.077 37 H3* G 4 H3' G 4 3.312 2.371 11.835 38 H2* G 4 H2' G 4 1.059 2.944 11.283 39 2HO* G 4 HO2' G 4 1.260 5.163 12.181 40 H1* G 4 H1' G 4 1.689 4.232 8.944 41 H8 G 4 H8 G 4 3.850 1.111 9.774 42 H1 G 4 H1 G 4 -1.304 -0.058 6.126 43 1H2 G 4 2H2 G 4 -2.661 1.701 6.132 44 2H2 G 4 1H2 G 4 -2.275 3.161 7.011 45 1H5* A 5 1H5' A 5 0.309 5.311 15.930 46 2H5* A 5 2H5' A 5 -0.626 4.597 14.599 47 H4* A 5 H4' A 5 0.255 7.515 14.827 48 H3* A 5 H3' A 5 -2.298 6.009 15.320 49 H2* A 5 H2' A 5 -3.619 7.681 14.260 50 2HO* A 5 HO2' A 5 -2.044 9.346 15.213 51 H1* A 5 H1' A 5 -2.041 8.022 12.086 52 H8 A 5 H8 A 5 -1.385 4.436 12.463 53 1H6 A 5 1H6 A 5 -7.056 3.427 10.143 54 2H6 A 5 2H6 A 5 -5.506 2.666 10.494 55 H2 A 5 H2 A 5 -6.835 7.656 11.320 56 1H5* A 6 1H5' A 6 -4.152 9.151 16.416 57 2H5* A 6 2H5' A 6 -4.927 8.923 17.995 58 H4* A 6 H4' A 6 -6.584 9.237 16.216 59 H3* A 6 H3' A 6 -6.555 6.470 17.444 60 H2* A 6 H2' A 6 -8.460 5.965 16.085 61 2HO* A 6 HO2' A 6 -9.466 8.079 16.341 62 H1* A 6 H1' A 6 -7.459 7.004 13.806 63 H8 A 6 H8 A 6 -4.373 5.629 15.407 64 1H6 A 6 1H6 A 6 -6.219 0.085 13.281 65 2H6 A 6 2H6 A 6 -4.826 0.938 13.912 66 H2 A 6 H2 A 6 -9.618 2.839 12.967 67 1H5* G 7 1H5' G 7 -10.331 5.740 17.136 68 2H5* G 7 2H5' G 7 -11.042 5.340 18.702 69 H4* G 7 H4' G 7 -10.571 3.350 17.315 70 H3* G 7 H3' G 7 -8.855 3.569 19.802 71 H2* G 7 H2' G 7 -8.083 1.414 19.281 72 2HO* G 7 HO2' G 7 -10.143 0.442 18.943 73 H1* G 7 H1' G 7 -8.470 1.760 16.454 74 H8 G 7 H8 G 7 -5.903 4.099 18.071 75 H1 G 7 H1 G 7 -3.743 -1.839 16.812 76 1H2 G 7 2H2 G 7 -5.528 -3.179 16.373 77 2H2 G 7 1H2 G 7 -7.145 -2.486 16.250 78 1H5* G 8 1H5' G 8 -12.138 0.035 19.581 79 2H5* G 8 2H5' G 8 -12.463 -0.382 21.276 80 H4* G 8 H4' G 8 -12.126 -2.386 19.850 81 H3* G 8 H3' G 8 -10.115 -1.882 22.052 82 H2* G 8 H2' G 8 -9.107 -3.992 21.471 83 2HO* G 8 HO2' G 8 -11.326 -4.895 21.056 84 H1* G 8 H1' G 8 -9.228 -3.632 18.766 85 H8 G 8 H8 G 8 -8.328 -0.336 20.498 86 H1 G 8 H1 G 8 -3.339 -4.290 19.635 87 1H2 G 8 2H2 G 8 -4.104 -6.370 19.301 88 2H2 G 8 1H2 G 8 -5.825 -6.679 19.059 89 1H5* C 9 1H5' C 9 -11.442 -6.063 22.635 90 2H5* C 9 2H5' C 9 -11.468 -6.389 24.379 91 H4* C 9 H4' C 9 -9.897 -7.867 23.109 92 H3* C 9 H3' C 9 -8.688 -5.997 25.163 93 H2* C 9 H2' C 9 -6.580 -7.091 24.726 94 2HO* C 9 HO2' C 9 -7.877 -9.189 24.424 95 H1* C 9 H1' C 9 -6.904 -7.160 21.996 96 1H4 C 9 2H4 C 9 -3.283 -2.126 23.093 97 2H4 C 9 1H4 C 9 -4.663 -1.095 23.483 98 H5 C 9 H5 C 9 -6.950 -2.042 23.695 99 H6 C 9 H6 C 9 -8.250 -4.061 23.494 100 1H5* U 10 1H5' U 10 -6.632 -9.551 26.063 101 2H5* U 10 2H5' U 10 -6.682 -9.787 27.816 102 H4* U 10 H4' U 10 -4.360 -9.649 27.036 103 H3* U 10 H3' U 10 -5.273 -7.226 28.638 104 H2* U 10 H2' U 10 -2.983 -6.550 28.648 105 2HO* U 10 HO2' U 10 -2.312 -8.878 28.881 106 H1* U 10 H1' U 10 -2.576 -7.197 25.982 107 H3 U 10 H3 U 10 -2.382 -2.633 26.273 108 H5 U 10 H5 U 10 -6.479 -3.493 26.618 109 H6 U 10 H6 U 10 -5.949 -5.848 26.619 110 H3T U 10 HO3' U 10 -5.334 -9.184 29.780 111 1H5* G 11 1H5' G 11 6.567 -5.055 24.667 112 2H5* G 11 2H5' G 11 7.114 -6.130 23.372 113 H4* G 11 H4' G 11 5.703 -7.495 24.620 114 H3* G 11 H3' G 11 3.984 -6.321 22.404 115 H2* G 11 H2' G 11 2.270 -7.784 23.085 116 2HO* G 11 HO2' G 11 3.871 -9.497 23.670 117 H1* G 11 H1' G 11 2.497 -7.091 25.715 118 H8 G 11 H8 G 11 3.461 -3.804 24.584 119 H1 G 11 H1 G 11 -2.650 -4.968 22.960 120 1H2 G 11 2H2 G 11 -3.010 -7.179 22.934 121 2H2 G 11 1H2 G 11 -1.741 -8.316 23.395 122 H5T G 11 H5' G 11 5.737 -5.164 21.948 123 1H5* C 12 1H5' C 12 3.572 -9.891 20.994 124 2H5* C 12 2H5' C 12 3.913 -9.993 19.258 125 H4* C 12 H4' C 12 1.544 -10.454 19.815 126 H3* C 12 H3' C 12 2.011 -7.918 18.221 127 H2* C 12 H2' C 12 -0.391 -7.870 17.985 128 2HO* C 12 HO2' C 12 -0.472 -10.258 17.776 129 H1* C 12 H1' C 12 -0.872 -8.547 20.620 130 1H4 C 12 2H4 C 12 -1.458 -2.270 20.106 131 2H4 C 12 1H4 C 12 0.255 -2.005 20.422 132 H5 C 12 H5 C 12 1.840 -3.923 20.597 133 H6 C 12 H6 C 12 2.010 -6.333 20.545 134 1H5* C 13 1H5' C 13 -0.849 -10.347 15.947 135 2H5* C 13 2H5' C 13 -0.634 -10.035 14.217 136 H4* C 13 H4' C 13 -2.927 -9.485 15.099 137 H3* C 13 H3' C 13 -1.311 -7.193 13.951 138 H2* C 13 H2' C 13 -3.328 -5.897 14.173 139 2HO* C 13 HO2' C 13 -4.790 -7.510 13.498 140 H1* C 13 H1' C 13 -3.927 -6.858 16.679 141 1H4 C 13 2H4 C 13 -1.114 -1.196 17.136 142 2H4 C 13 1H4 C 13 0.505 -1.874 16.962 143 H5 C 13 H5 C 13 0.845 -4.320 16.606 144 H6 C 13 H6 C 13 -0.296 -6.418 16.235 145 1H5* G 14 1H5' G 14 -4.475 -5.532 10.015 146 2H5* G 14 2H5' G 14 -3.209 -4.768 10.984 147 H4* G 14 H4' G 14 -6.135 -5.043 11.777 148 H3* G 14 H3' G 14 -4.678 -2.991 10.269 149 H2* G 14 H2' G 14 -4.703 -1.219 11.756 150 2HO* G 14 HO2' G 14 -7.159 -2.043 11.991 151 H1* G 14 H1' G 14 -4.873 -2.447 14.204 152 H8 G 14 H8 G 14 -2.235 -4.587 12.876 153 H1 G 14 H1 G 14 0.045 1.230 14.326 154 1H2 G 14 1H2 G 14 -1.585 2.644 14.623 155 2H2 G 14 2H2 G 14 -3.271 2.285 14.346 156 1H5* A 15 1H5' A 15 -7.798 -0.742 9.717 157 2H5* A 15 2H5' A 15 -8.542 -0.896 8.116 158 H4* A 15 H4' A 15 -7.672 1.359 8.488 159 H3* A 15 H3' A 15 -7.233 0.016 6.155 160 H2* A 15 H2' A 15 -5.166 -0.905 6.704 161 2HO* A 15 HO2' A 15 -4.879 1.149 5.072 162 H1* A 15 H1' A 15 -4.220 1.635 8.026 163 H8 A 15 H8 A 15 -3.999 -2.211 7.863 164 1H6 A 15 1H6 A 15 1.131 -1.331 11.262 165 2H6 A 15 2H6 A 15 0.229 -2.525 10.333 166 H2 A 15 H2 A 15 -1.102 2.446 11.217 167 1H5* A 16 1H5' A 16 -8.885 4.174 5.765 168 2H5* A 16 2H5' A 16 -8.653 5.016 4.221 169 H4* A 16 H4' A 16 -8.826 6.641 6.016 170 H3* A 16 H3' A 16 -5.979 6.356 5.003 171 H2* A 16 H2' A 16 -5.423 8.167 6.499 172 2HO* A 16 HO2' A 16 -7.607 9.161 6.023 173 H1* A 16 H1' A 16 -6.763 7.149 8.629 174 H8 A 16 H8 A 16 -5.485 4.030 7.055 175 1H6 A 16 1H6 A 16 -0.018 5.450 9.651 176 2H6 A 16 2H6 A 16 -0.885 4.176 8.798 177 H2 A 16 H2 A 16 -2.518 9.060 9.745 178 1H5* G 17 1H5' G 17 -5.425 9.964 5.129 179 2H5* G 17 2H5' G 17 -4.701 10.619 3.651 180 H4* G 17 H4' G 17 -3.171 10.659 5.640 181 H3* G 17 H3' G 17 -2.343 8.981 3.262 182 H2* G 17 H2' G 17 -0.227 8.672 4.408 183 2HO* G 17 HO2' G 17 -0.355 10.938 5.253 184 H1* G 17 H1' G 17 -1.365 8.150 6.843 185 H8 G 17 H8 G 17 -3.641 6.519 4.291 186 H1 G 17 H1 G 17 1.839 3.283 5.251 187 1H2 G 17 1H2 G 17 3.221 4.480 6.463 188 2H2 G 17 2H2 G 17 2.790 6.087 7.040 189 1H5* C 18 1H5' C 18 0.910 11.772 4.268 190 2H5* C 18 2H5' C 18 1.646 12.381 2.776 191 H4* C 18 H4' C 18 3.292 11.300 4.324 192 H3* C 18 H3' C 18 2.836 10.011 1.621 193 H2* C 18 H2' C 18 4.697 8.576 2.147 194 2HO* C 18 HO2' C 18 5.827 10.433 3.199 195 H1* C 18 H1' C 18 3.931 8.188 4.781 196 1H4 C 18 2H4 C 18 1.891 3.056 1.684 197 2H4 C 18 1H4 C 18 0.392 3.853 1.229 198 H5 C 18 H5 C 18 0.051 6.284 1.577 199 H6 C 18 H6 C 18 0.998 8.266 2.571 200 1H5* C 19 1H5' C 19 7.232 10.907 1.995 201 2H5* C 19 2H5' C 19 7.743 11.551 0.422 202 H4* C 19 H4' C 19 9.146 9.631 1.127 203 H3* C 19 H3' C 19 7.393 9.246 -1.314 204 H2* C 19 H2' C 19 8.368 7.105 -1.590 205 2HO* C 19 HO2' C 19 10.537 7.877 -1.173 206 H1* C 19 H1' C 19 8.552 6.506 1.129 207 1H4 C 19 2H4 C 19 3.597 3.168 -0.879 208 2H4 C 19 1H4 C 19 2.518 4.561 -0.803 209 H5 C 19 H5 C 19 3.400 6.851 -0.412 210 H6 C 19 H6 C 19 5.393 8.111 0.111 211 H2* PR5 20 H2' P5P 20 9.108 3.355 -5.671 212 2HO* PR5 20 HO2' P5P 20 11.369 3.912 -4.034 213 H1* PR5 20 H1' P5P 20 9.282 3.371 -2.972 214 H4* PR5 20 H4' P5P 20 11.107 6.259 -4.110 215 1H5* PR5 20 1H5' P5P 20 9.584 8.059 -5.223 216 2H5* PR5 20 2H5' P5P 20 8.388 7.595 -3.999 217 H3* PR5 20 H3' P5P 20 8.699 5.722 -5.859 218 H3T PR5 20 HO3' P5P 20 11.331 4.944 -6.386 219 H8 PR5 20 H8 P5P 20 6.939 6.185 -3.112 220 H3 PR5 20 H2 P5P 20 6.381 0.146 -5.274 221 H6 PR5 20 H6 P5P 20 3.396 2.906 -4.440 Start of MODEL 14 1 1H5* G 1 1H5' G 1 6.450 -6.799 -1.926 2 2H5* G 1 2H5' G 1 7.340 -7.249 -0.464 3 H4* G 1 H4' G 1 8.847 -5.881 -1.590 4 H3* G 1 H3' G 1 7.350 -4.073 0.341 5 H2* G 1 H2' G 1 8.879 -2.369 -0.217 6 2HO* G 1 HO2' G 1 10.675 -3.960 -0.490 7 H1* G 1 H1' G 1 8.517 -2.712 -2.893 8 H8 G 1 H8 G 1 5.152 -3.787 -2.057 9 H1 G 1 H1 G 1 5.900 2.427 -0.581 10 1H2 G 1 2H2 G 1 8.075 2.904 -0.413 11 2H2 G 1 1H2 G 1 9.307 1.685 -0.744 12 H5T G 1 H5' G 1 6.164 -5.810 0.729 13 1H5* G 2 1H5' G 2 10.653 -3.457 2.136 14 2H5* G 2 2H5' G 2 10.549 -3.646 3.893 15 H4* G 2 H4' G 2 11.036 -1.322 3.115 16 H3* G 2 H3' G 2 8.451 -1.731 4.638 17 H2* G 2 H2' G 2 8.280 0.664 4.625 18 2HO* G 2 HO2' G 2 10.690 0.802 4.958 19 H1* G 2 H1' G 2 9.143 0.971 2.016 20 H8 G 2 H8 G 2 6.666 -1.882 2.041 21 H1 G 2 H1 G 2 3.951 3.937 2.687 22 1H2 G 2 2H2 G 2 5.543 5.449 3.179 23 2H2 G 2 1H2 G 2 7.233 4.957 3.254 24 1H5* U 3 1H5' U 3 10.480 1.447 6.771 25 2H5* U 3 2H5' U 3 10.110 1.331 8.499 26 H4* U 3 H4' U 3 9.346 3.459 7.337 27 H3* U 3 H3' U 3 7.330 1.728 8.780 28 H2* U 3 H2' U 3 5.683 3.416 8.268 29 2HO* U 3 HO2' U 3 7.466 5.101 8.586 30 H1* U 3 H1' U 3 6.540 3.863 5.691 31 H3 U 3 H3 U 3 2.403 2.061 5.299 32 H5 U 3 H5 U 3 4.984 -1.236 5.669 33 H6 U 3 H6 U 3 6.765 0.272 6.298 34 1H5* G 4 1H5' G 4 6.499 5.761 10.016 35 2H5* G 4 2H5' G 4 6.200 5.827 11.753 36 H4* G 4 H4' G 4 4.322 6.657 10.281 37 H3* G 4 H3' G 4 4.171 5.024 12.636 38 H2* G 4 H2' G 4 2.974 3.263 11.897 39 2HO* G 4 HO2' G 4 1.332 5.394 12.001 40 H1* G 4 H1' G 4 1.931 4.431 9.387 41 H8 G 4 H8 G 4 4.798 2.014 10.504 42 H1 G 4 H1 G 4 0.011 -0.671 7.158 43 1H2 G 4 2H2 G 4 -1.577 0.938 6.716 44 2H2 G 4 1H2 G 4 -1.279 2.600 7.162 45 1H5* A 5 1H5' A 5 1.191 8.403 14.961 46 2H5* A 5 2H5' A 5 0.809 7.088 13.827 47 H4* A 5 H4' A 5 -0.153 9.957 13.457 48 H3* A 5 H3' A 5 -1.489 7.538 14.714 49 H2* A 5 H2' A 5 -3.576 8.397 13.872 50 2HO* A 5 HO2' A 5 -2.914 10.641 14.374 51 H1* A 5 H1' A 5 -2.555 9.054 11.405 52 H8 A 5 H8 A 5 -1.270 5.727 12.944 53 1H6 A 5 1H6 A 5 -6.355 3.291 10.274 54 2H6 A 5 2H6 A 5 -4.879 2.862 11.151 55 H2 A 5 H2 A 5 -6.464 7.606 9.641 56 1H5* A 6 1H5' A 6 -4.782 7.585 17.772 57 2H5* A 6 2H5' A 6 -3.869 6.642 16.574 58 H4* A 6 H4' A 6 -6.186 8.405 15.718 59 H3* A 6 H3' A 6 -6.279 5.612 16.880 60 H2* A 6 H2' A 6 -8.092 5.136 15.368 61 2HO* A 6 HO2' A 6 -8.844 7.455 15.629 62 H1* A 6 H1' A 6 -6.835 6.181 13.187 63 H8 A 6 H8 A 6 -3.956 4.723 15.058 64 1H6 A 6 2H6 A 6 -5.914 -0.839 13.076 65 2H6 A 6 1H6 A 6 -4.543 -0.010 13.787 66 H2 A 6 H2 A 6 -9.126 2.061 12.304 67 1H5* G 7 1H5' G 7 -9.927 5.494 16.891 68 2H5* G 7 2H5' G 7 -10.594 5.025 18.467 69 H4* G 7 H4' G 7 -10.993 3.304 16.736 70 H3* G 7 H3' G 7 -9.119 2.524 18.983 71 H2* G 7 H2' G 7 -9.150 0.292 18.051 72 2HO* G 7 HO2' G 7 -11.468 0.525 17.470 73 H1* G 7 H1' G 7 -8.804 1.114 15.471 74 H8 G 7 H8 G 7 -6.701 3.470 17.563 75 H1 G 7 H1 G 7 -4.072 -2.357 16.817 76 1H2 G 7 2H2 G 7 -5.669 -3.804 16.137 77 2H2 G 7 1H2 G 7 -7.281 -3.224 15.719 78 1H5* G 8 1H5' G 8 -12.338 -0.523 18.736 79 2H5* G 8 2H5' G 8 -12.749 -1.024 20.385 80 H4* G 8 H4' G 8 -12.105 -2.922 18.889 81 H3* G 8 H3' G 8 -10.391 -2.364 21.319 82 H2* G 8 H2' G 8 -9.194 -4.389 20.781 83 2HO* G 8 HO2' G 8 -11.294 -5.397 20.072 84 H1* G 8 H1' G 8 -9.033 -3.887 18.098 85 H8 G 8 H8 G 8 -8.505 -0.569 19.893 86 H1 G 8 H1 G 8 -3.351 -4.415 19.967 87 1H2 G 8 2H2 G 8 -4.008 -6.528 19.587 88 2H2 G 8 1H2 G 8 -5.663 -6.884 19.087 89 1H5* C 9 1H5' C 9 -11.469 -6.600 21.617 90 2H5* C 9 2H5' C 9 -11.720 -7.006 23.325 91 H4* C 9 H4' C 9 -9.902 -8.337 22.234 92 H3* C 9 H3' C 9 -9.112 -6.505 24.515 93 H2* C 9 H2' C 9 -6.908 -7.482 24.352 94 2HO* C 9 HO2' C 9 -8.030 -9.619 23.775 95 H1* C 9 H1' C 9 -6.823 -7.422 21.606 96 1H4 C 9 2H4 C 9 -3.671 -2.302 23.438 97 2H4 C 9 1H4 C 9 -5.138 -1.325 23.547 98 H5 C 9 H5 C 9 -7.388 -2.361 23.311 99 H6 C 9 H6 C 9 -8.545 -4.428 22.860 100 1H5* U 10 1H5' U 10 -7.018 -9.992 25.569 101 2H5* U 10 2H5' U 10 -7.312 -10.314 27.285 102 H4* U 10 H4' U 10 -4.912 -10.030 26.871 103 H3* U 10 H3' U 10 -6.181 -7.724 28.403 104 H2* U 10 H2' U 10 -3.958 -6.939 28.780 105 2HO* U 10 HO2' U 10 -3.208 -9.243 29.029 106 H1* U 10 H1' U 10 -3.124 -7.457 26.185 107 H3 U 10 H3 U 10 -3.209 -2.905 26.654 108 H5 U 10 H5 U 10 -7.263 -3.964 26.355 109 H6 U 10 H6 U 10 -6.618 -6.291 26.355 110 H3T U 10 HO3' U 10 -6.305 -9.731 29.451 111 1H5* G 11 1H5' G 11 6.485 -5.779 26.658 112 2H5* G 11 2H5' G 11 7.012 -6.071 24.990 113 H4* G 11 H4' G 11 5.236 -7.644 25.731 114 H3* G 11 H3' G 11 4.427 -5.737 23.512 115 H2* G 11 H2' G 11 2.469 -7.144 23.304 116 2HO* G 11 HO2' G 11 3.799 -9.105 23.769 117 H1* G 11 H1' G 11 2.090 -7.317 26.037 118 H8 G 11 H8 G 11 3.027 -3.731 25.462 119 H1 G 11 H1 G 11 -2.890 -5.103 23.351 120 1H2 G 11 2H2 G 11 -3.131 -7.333 23.220 121 2H2 G 11 1H2 G 11 -1.840 -8.419 23.741 122 H5T G 11 H5' G 11 5.165 -4.092 25.845 123 1H5* C 12 1H5' C 12 3.692 -9.688 21.983 124 2H5* C 12 2H5' C 12 4.107 -9.746 20.263 125 H4* C 12 H4' C 12 1.741 -10.394 20.761 126 H3* C 12 H3' C 12 2.162 -7.929 19.048 127 H2* C 12 H2' C 12 -0.224 -8.019 18.665 128 2HO* C 12 HO2' C 12 -0.168 -10.424 18.630 129 H1* C 12 H1' C 12 -0.834 -8.533 21.300 130 1H4 C 12 2H4 C 12 -1.624 -2.325 20.576 131 2H4 C 12 1H4 C 12 0.053 -1.986 21.002 132 H5 C 12 H5 C 12 1.708 -3.826 21.263 133 H6 C 12 H6 C 12 1.981 -6.225 21.267 134 1H5* C 13 1H5' C 13 -0.474 -10.648 16.829 135 2H5* C 13 2H5' C 13 -0.158 -10.488 15.094 136 H4* C 13 H4' C 13 -2.535 -9.986 15.778 137 H3* C 13 H3' C 13 -0.933 -7.768 14.478 138 H2* C 13 H2' C 13 -2.954 -6.515 14.455 139 2HO* C 13 HO2' C 13 -4.346 -8.196 13.800 140 H1* C 13 H1' C 13 -3.794 -7.323 16.968 141 1H4 C 13 2H4 C 13 -1.516 -1.476 17.532 142 2H4 C 13 1H4 C 13 0.159 -2.031 17.641 143 H5 C 13 H5 C 13 0.736 -4.438 17.326 144 H6 C 13 H6 C 13 -0.190 -6.629 16.876 145 1H5* G 14 1H5' G 14 -3.929 -6.602 10.236 146 2H5* G 14 2H5' G 14 -2.667 -5.787 11.165 147 H4* G 14 H4' G 14 -5.625 -5.895 11.878 148 H3* G 14 H3' G 14 -3.920 -3.985 10.385 149 H2* G 14 H2' G 14 -4.276 -2.086 11.729 150 2HO* G 14 HO2' G 14 -6.674 -3.072 11.811 151 H1* G 14 H1' G 14 -4.497 -3.223 14.201 152 H8 G 14 H8 G 14 -1.720 -5.320 12.981 153 H1 G 14 H1 G 14 0.205 0.445 15.021 154 1H2 G 14 1H2 G 14 -1.486 1.852 15.092 155 2H2 G 14 2H2 G 14 -3.094 1.431 14.589 156 1H5* A 15 1H5' A 15 -7.100 -1.434 10.519 157 2H5* A 15 2H5' A 15 -7.786 -1.223 8.903 158 H4* A 15 H4' A 15 -7.176 0.889 10.009 159 H3* A 15 H3' A 15 -6.778 0.355 7.337 160 H2* A 15 H2' A 15 -4.622 -0.500 7.598 161 2HO* A 15 HO2' A 15 -3.956 2.221 7.220 162 H1* A 15 H1' A 15 -3.894 1.825 9.398 163 H8 A 15 H8 A 15 -3.354 -1.942 8.631 164 1H6 A 15 1H6 A 15 1.936 -1.169 11.833 165 2H6 A 15 2H6 A 15 1.025 -2.309 10.848 166 H2 A 15 H2 A 15 -0.366 2.569 12.106 167 1H5* A 16 1H5' A 16 -8.593 4.481 5.757 168 2H5* A 16 2H5' A 16 -6.869 4.128 5.838 169 H4* A 16 H4' A 16 -8.284 6.792 6.318 170 H3* A 16 H3' A 16 -7.377 5.911 3.932 171 H2* A 16 H2' A 16 -5.361 5.092 4.751 172 2HO* A 16 HO2' A 16 -4.862 7.576 3.571 173 H1* A 16 H1' A 16 -4.719 7.707 6.137 174 H8 A 16 H8 A 16 -4.924 3.872 6.521 175 1H6 A 16 1H6 A 16 -0.042 4.516 10.322 176 2H6 A 16 2H6 A 16 -1.132 3.346 9.603 177 H2 A 16 H2 A 16 -1.174 8.521 8.890 178 1H5* G 17 1H5' G 17 -5.410 10.124 4.886 179 2H5* G 17 2H5' G 17 -5.114 11.098 3.437 180 H4* G 17 H4' G 17 -3.110 10.963 4.786 181 H3* G 17 H3' G 17 -2.737 9.151 2.369 182 H2* G 17 H2' G 17 -0.441 9.127 3.084 183 2HO* G 17 HO2' G 17 -0.431 11.431 3.584 184 H1* G 17 H1' G 17 -1.164 9.104 5.815 185 H8 G 17 H8 G 17 -2.462 6.674 3.027 186 H1 G 17 H1 G 17 2.293 4.400 6.674 187 1H2 G 17 1H2 G 17 3.034 6.028 8.063 188 2H2 G 17 2H2 G 17 2.287 7.618 8.040 189 1H5* C 18 1H5' C 18 0.394 12.386 2.300 190 2H5* C 18 2H5' C 18 0.894 12.610 0.615 191 H4* C 18 H4' C 18 2.784 12.027 2.149 192 H3* C 18 H3' C 18 2.131 10.012 -0.020 193 H2* C 18 H2' C 18 4.183 8.914 0.647 194 2HO* C 18 HO2' C 18 5.275 11.002 0.997 195 H1* C 18 H1' C 18 3.698 9.220 3.348 196 1H4 C 18 2H4 C 18 1.684 3.324 2.130 197 2H4 C 18 1H4 C 18 0.167 3.928 1.485 198 H5 C 18 H5 C 18 -0.194 6.309 0.977 199 H6 C 18 H6 C 18 0.689 8.530 1.288 200 1H5* C 19 1H5' C 19 6.403 11.274 -0.497 201 2H5* C 19 2H5' C 19 6.808 11.213 -2.222 202 H4* C 19 H4' C 19 8.297 9.794 -0.807 203 H3* C 19 H3' C 19 6.552 8.316 -2.802 204 H2* C 19 H2' C 19 7.868 6.356 -2.206 205 2HO* C 19 HO2' C 19 9.811 7.850 -1.939 206 H1* C 19 H1' C 19 7.735 6.866 0.490 207 1H4 C 19 2H4 C 19 3.032 2.831 -0.684 208 2H4 C 19 1H4 C 19 1.906 4.131 -1.091 209 H5 C 19 H5 C 19 2.701 6.471 -1.372 210 H6 C 19 H6 C 19 4.622 7.910 -1.176 211 H2* PR5 20 H2' P5P 20 8.061 2.444 -6.085 212 2HO* PR5 20 HO2' P5P 20 10.472 2.157 -6.226 213 H1* PR5 20 H1' P5P 20 8.601 2.207 -3.398 214 H4* PR5 20 H4' P5P 20 10.855 4.354 -4.452 215 1H5* PR5 20 1H5' P5P 20 10.331 6.591 -3.507 216 2H5* PR5 20 2H5' P5P 20 10.637 6.644 -5.251 217 H3* PR5 20 H3' P5P 20 8.344 4.820 -6.109 218 H3T PR5 20 HO3' P5P 20 10.290 5.178 -7.219 219 H8 PR5 20 H8 P5P 20 6.680 5.449 -3.764 220 H3 PR5 20 H2 P5P 20 5.063 -0.730 -4.564 221 H6 PR5 20 H6 P5P 20 2.595 2.556 -3.979 Start of MODEL 15 1 1H5* G 1 1H5' G 1 4.628 -7.192 -0.789 2 2H5* G 1 2H5' G 1 5.731 -7.503 0.560 3 H4* G 1 H4' G 1 7.117 -6.541 -1.040 4 H3* G 1 H3' G 1 6.201 -4.266 0.756 5 H2* G 1 H2' G 1 7.743 -2.883 -0.374 6 2HO* G 1 HO2' G 1 9.285 -4.718 -0.669 7 H1* G 1 H1' G 1 6.819 -3.600 -2.829 8 H8 G 1 H8 G 1 3.591 -4.126 -1.300 9 H1 G 1 H1 G 1 5.179 2.083 -0.787 10 1H2 G 1 2H2 G 1 7.379 2.321 -1.073 11 2H2 G 1 1H2 G 1 8.409 0.941 -1.462 12 H5T G 1 H5' G 1 4.938 -5.765 1.652 13 1H5* G 2 1H5' G 2 9.830 -3.800 1.901 14 2H5* G 2 2H5' G 2 10.004 -3.695 3.660 15 H4* G 2 H4' G 2 10.536 -1.591 2.396 16 H3* G 2 H3' G 2 8.275 -1.478 4.408 17 H2* G 2 H2' G 2 8.263 0.891 3.998 18 2HO* G 2 HO2' G 2 10.709 0.800 3.832 19 H1* G 2 H1' G 2 8.593 0.684 1.264 20 H8 G 2 H8 G 2 6.000 -1.904 2.094 21 H1 G 2 H1 G 2 3.856 4.150 2.711 22 1H2 G 2 2H2 G 2 5.632 5.555 2.763 23 2H2 G 2 1H2 G 2 7.259 4.916 2.547 24 1H5* U 3 1H5' U 3 10.251 1.944 5.605 25 2H5* U 3 2H5' U 3 10.331 1.977 7.376 26 H4* U 3 H4' U 3 9.015 3.870 6.415 27 H3* U 3 H3' U 3 7.579 1.890 8.189 28 H2* U 3 H2' U 3 5.612 3.227 7.982 29 2HO* U 3 HO2' U 3 7.011 5.222 8.098 30 H1* U 3 H1' U 3 5.942 3.832 5.304 31 H3 U 3 H3 U 3 2.134 1.379 5.503 32 H5 U 3 H5 U 3 5.220 -1.466 5.601 33 H6 U 3 H6 U 3 6.815 0.326 5.896 34 1H5* G 4 1H5' G 4 6.332 5.832 9.819 35 2H5* G 4 2H5' G 4 6.217 5.599 11.572 36 H4* G 4 H4' G 4 4.034 6.224 10.559 37 H3* G 4 H3' G 4 4.264 3.422 11.647 38 H2* G 4 H2' G 4 1.970 3.101 11.353 39 2HO* G 4 HO2' G 4 1.277 5.344 11.853 40 H1* G 4 H1' G 4 1.986 4.187 8.831 41 H8 G 4 H8 G 4 4.933 1.936 10.115 42 H1 G 4 H1 G 4 -0.059 -1.159 7.507 43 1H2 G 4 2H2 G 4 -1.554 0.377 6.696 44 2H2 G 4 1H2 G 4 -1.214 2.092 6.849 45 1H5* A 5 1H5' A 5 0.729 6.277 15.375 46 2H5* A 5 2H5' A 5 -0.466 5.489 14.332 47 H4* A 5 H4' A 5 0.817 8.218 13.856 48 H3* A 5 H3' A 5 -1.913 7.271 14.755 49 H2* A 5 H2' A 5 -2.923 9.093 13.618 50 2HO* A 5 HO2' A 5 -1.272 10.657 14.122 51 H1* A 5 H1' A 5 -1.540 8.740 11.316 52 H8 A 5 H8 A 5 -1.560 5.211 11.808 53 1H6 A 5 1H6 A 5 -7.616 5.104 10.523 54 2H6 A 5 2H6 A 5 -6.162 4.143 10.680 55 H2 A 5 H2 A 5 -6.535 9.288 11.523 56 1H5* A 6 1H5' A 6 -3.965 8.420 17.934 57 2H5* A 6 2H5' A 6 -3.164 7.314 16.788 58 H4* A 6 H4' A 6 -5.741 8.812 16.149 59 H3* A 6 H3' A 6 -5.355 6.025 17.289 60 H2* A 6 H2' A 6 -7.383 5.446 16.100 61 2HO* A 6 HO2' A 6 -8.236 7.696 16.566 62 H1* A 6 H1' A 6 -6.608 6.664 13.785 63 H8 A 6 H8 A 6 -3.423 5.203 15.145 64 1H6 A 6 1H6 A 6 -5.632 -0.362 13.426 65 2H6 A 6 2H6 A 6 -4.176 0.445 13.977 66 H2 A 6 H2 A 6 -8.877 2.546 13.004 67 1H5* G 7 1H5' G 7 -9.130 5.843 17.720 68 2H5* G 7 2H5' G 7 -9.599 5.261 19.327 69 H4* G 7 H4' G 7 -10.267 3.729 17.471 70 H3* G 7 H3' G 7 -8.306 2.682 19.521 71 H2* G 7 H2' G 7 -8.537 0.526 18.440 72 2HO* G 7 HO2' G 7 -10.867 0.948 18.016 73 H1* G 7 H1' G 7 -8.291 1.507 15.908 74 H8 G 7 H8 G 7 -5.890 3.622 17.911 75 H1 G 7 H1 G 7 -3.816 -2.408 17.038 76 1H2 G 7 2H2 G 7 -5.525 -3.678 16.282 77 2H2 G 7 1H2 G 7 -7.087 -2.946 15.913 78 1H5* G 8 1H5' G 8 -11.739 -0.094 19.175 79 2H5* G 8 2H5' G 8 -12.147 -0.723 20.778 80 H4* G 8 H4' G 8 -11.688 -2.489 19.035 81 H3* G 8 H3' G 8 -10.027 -2.364 21.555 82 H2* G 8 H2' G 8 -8.938 -4.387 20.834 83 2HO* G 8 HO2' G 8 -11.101 -5.142 19.965 84 H1* G 8 H1' G 8 -8.686 -3.649 18.204 85 H8 G 8 H8 G 8 -7.886 -0.536 20.213 86 H1 G 8 H1 G 8 -3.079 -4.806 19.977 87 1H2 G 8 2H2 G 8 -3.912 -6.823 19.437 88 2H2 G 8 1H2 G 8 -5.608 -7.009 18.982 89 1H5* C 9 1H5' C 9 -11.408 -6.514 21.338 90 2H5* C 9 2H5' C 9 -11.881 -7.028 22.971 91 H4* C 9 H4' C 9 -10.058 -8.442 22.010 92 H3* C 9 H3' C 9 -9.489 -6.793 24.476 93 H2* C 9 H2' C 9 -7.286 -7.589 24.515 94 2HO* C 9 HO2' C 9 -7.922 -9.811 24.181 95 H1* C 9 H1' C 9 -6.927 -7.794 21.748 96 1H4 C 9 2H4 C 9 -3.455 -2.843 23.455 97 2H4 C 9 1H4 C 9 -4.850 -1.780 23.643 98 H5 C 9 H5 C 9 -7.172 -2.687 23.494 99 H6 C 9 H6 C 9 -8.462 -4.675 23.029 100 1H5* U 10 1H5' U 10 -7.941 -8.873 28.212 101 2H5* U 10 2H5' U 10 -7.736 -7.592 27.007 102 H4* U 10 H4' U 10 -5.955 -10.056 26.978 103 H3* U 10 H3' U 10 -5.720 -7.562 28.692 104 H2* U 10 H2' U 10 -3.342 -7.687 28.442 105 2HO* U 10 HO2' U 10 -3.462 -10.114 28.471 106 H1* U 10 H1' U 10 -3.433 -8.108 25.735 107 H3 U 10 H3 U 10 -2.088 -3.777 26.713 108 H5 U 10 H5 U 10 -6.277 -3.630 26.521 109 H6 U 10 H6 U 10 -6.323 -6.031 26.328 110 H3T U 10 HO3' U 10 -6.300 -9.560 29.717 111 1H5* G 11 1H5' G 11 6.309 -6.008 25.213 112 2H5* G 11 2H5' G 11 6.917 -7.038 23.909 113 H4* G 11 H4' G 11 5.432 -8.436 25.027 114 H3* G 11 H3' G 11 3.838 -7.169 22.768 115 H2* G 11 H2' G 11 2.077 -8.638 23.319 116 2HO* G 11 HO2' G 11 3.634 -10.385 23.913 117 H1* G 11 H1' G 11 2.188 -8.050 25.982 118 H8 G 11 H8 G 11 3.204 -4.723 25.072 119 H1 G 11 H1 G 11 -2.844 -5.768 23.157 120 1H2 G 11 2H2 G 11 -3.195 -7.967 22.957 121 2H2 G 11 1H2 G 11 -1.944 -9.139 23.384 122 H5T G 11 H5' G 11 5.634 -6.009 22.452 123 1H5* C 12 1H5' C 12 3.545 -10.694 21.147 124 2H5* C 12 2H5' C 12 3.947 -10.694 19.421 125 H4* C 12 H4' C 12 1.550 -11.148 19.867 126 H3* C 12 H3' C 12 2.122 -8.532 18.448 127 H2* C 12 H2' C 12 -0.275 -8.399 18.140 128 2HO* C 12 HO2' C 12 -0.423 -10.765 17.799 129 H1* C 12 H1' C 12 -0.851 -9.184 20.718 130 1H4 C 12 2H4 C 12 -1.128 -2.885 20.685 131 2H4 C 12 1H4 C 12 0.584 -2.727 21.080 132 H5 C 12 H5 C 12 2.084 -4.717 21.091 133 H6 C 12 H6 C 12 2.144 -7.122 20.851 134 1H5* C 13 1H5' C 13 -0.729 -10.807 15.984 135 2H5* C 13 2H5' C 13 -0.417 -10.467 14.274 136 H4* C 13 H4' C 13 -2.752 -9.905 15.022 137 H3* C 13 H3' C 13 -1.016 -7.631 14.027 138 H2* C 13 H2' C 13 -2.966 -6.269 14.167 139 2HO* C 13 HO2' C 13 -4.439 -7.779 13.299 140 H1* C 13 H1' C 13 -3.855 -7.353 16.559 141 1H4 C 13 2H4 C 13 -1.204 -1.765 17.799 142 2H4 C 13 1H4 C 13 0.436 -2.422 17.783 143 H5 C 13 H5 C 13 0.857 -4.804 17.172 144 H6 C 13 H6 C 13 -0.209 -6.864 16.481 145 1H5* G 14 1H5' G 14 -3.855 -5.756 9.944 146 2H5* G 14 2H5' G 14 -2.584 -5.130 11.002 147 H4* G 14 H4' G 14 -5.562 -5.181 11.633 148 H3* G 14 H3' G 14 -3.733 -3.178 10.425 149 H2* G 14 H2' G 14 -4.091 -1.444 11.977 150 2HO* G 14 HO2' G 14 -6.511 -2.338 11.869 151 H1* G 14 H1' G 14 -4.390 -2.870 14.282 152 H8 G 14 H8 G 14 -1.654 -4.901 12.898 153 H1 G 14 H1 G 14 0.381 0.545 15.609 154 1H2 G 14 1H2 G 14 -1.264 2.007 15.746 155 2H2 G 14 2H2 G 14 -2.844 1.721 15.081 156 1H5* A 15 1H5' A 15 -6.856 -0.482 10.791 157 2H5* A 15 2H5' A 15 -7.575 -0.227 9.191 158 H4* A 15 H4' A 15 -7.082 1.898 10.240 159 H3* A 15 H3' A 15 -6.362 1.300 7.631 160 H2* A 15 H2' A 15 -4.132 0.776 7.954 161 2HO* A 15 HO2' A 15 -4.435 3.501 7.601 162 H1* A 15 H1' A 15 -3.657 2.842 10.075 163 H8 A 15 H8 A 15 -3.239 -0.912 9.068 164 1H6 A 15 1H6 A 15 2.002 -0.540 12.348 165 2H6 A 15 2H6 A 15 1.059 -1.564 11.272 166 H2 A 15 H2 A 15 -0.205 3.227 12.945 167 1H5* A 16 1H5' A 16 -7.566 6.190 5.933 168 2H5* A 16 2H5' A 16 -6.171 5.147 6.302 169 H4* A 16 H4' A 16 -6.813 7.665 7.893 170 H3* A 16 H3' A 16 -4.897 7.257 5.561 171 H2* A 16 H2' A 16 -3.560 8.904 6.588 172 2HO* A 16 HO2' A 16 -5.681 10.154 6.968 173 H1* A 16 H1' A 16 -4.475 8.233 9.216 174 H8 A 16 H8 A 16 -2.765 5.184 8.188 175 1H6 A 16 1H6 A 16 2.465 8.109 9.883 176 2H6 A 16 2H6 A 16 1.746 6.529 9.611 177 H2 A 16 H2 A 16 -0.598 11.158 9.203 178 1H5* G 17 1H5' G 17 -4.448 11.330 5.514 179 2H5* G 17 2H5' G 17 -4.358 11.820 3.812 180 H4* G 17 H4' G 17 -2.207 12.204 4.906 181 H3* G 17 H3' G 17 -2.204 9.930 2.913 182 H2* G 17 H2' G 17 0.164 9.712 3.300 183 2HO* G 17 HO2' G 17 0.491 12.040 3.477 184 H1* G 17 H1' G 17 0.011 9.873 6.013 185 H8 G 17 H8 G 17 -2.937 8.022 4.264 186 H1 G 17 H1 G 17 1.875 4.247 6.209 187 1H2 G 17 1H2 G 17 3.631 5.481 6.770 188 2H2 G 17 2H2 G 17 3.563 7.237 6.716 189 1H5* C 18 1H5' C 18 1.134 12.779 1.971 190 2H5* C 18 2H5' C 18 1.375 12.788 0.214 191 H4* C 18 H4' C 18 3.437 12.149 1.479 192 H3* C 18 H3' C 18 2.201 10.030 -0.301 193 H2* C 18 H2' C 18 4.162 8.713 0.162 194 2HO* C 18 HO2' C 18 5.581 10.606 0.035 195 H1* C 18 H1' C 18 4.247 9.386 2.844 196 1H4 C 18 2H4 C 18 1.403 3.705 2.749 197 2H4 C 18 1H4 C 18 -0.125 4.404 2.240 198 H5 C 18 H5 C 18 -0.307 6.762 1.522 199 H6 C 18 H6 C 18 0.879 8.857 1.356 200 1H5* C 19 1H5' C 19 6.442 10.752 -1.676 201 2H5* C 19 2H5' C 19 6.475 10.524 -3.436 202 H4* C 19 H4' C 19 8.094 9.057 -2.242 203 H3* C 19 H3' C 19 5.817 7.633 -3.658 204 H2* C 19 H2' C 19 7.038 5.590 -3.159 205 2HO* C 19 HO2' C 19 9.126 6.850 -3.476 206 H1* C 19 H1' C 19 7.563 6.322 -0.566 207 1H4 C 19 2H4 C 19 2.358 2.793 -0.213 208 2H4 C 19 1H4 C 19 1.296 4.180 -0.480 209 H5 C 19 H5 C 19 2.224 6.373 -1.211 210 H6 C 19 H6 C 19 4.268 7.580 -1.628 211 H2* PR5 20 H2' P5P 20 6.008 1.385 -6.443 212 2HO* PR5 20 HO2' P5P 20 7.562 -0.079 -5.609 213 H1* PR5 20 H1' P5P 20 7.055 1.432 -3.881 214 H4* PR5 20 H4' P5P 20 9.278 3.107 -5.633 215 1H5* PR5 20 1H5' P5P 20 9.193 5.484 -5.024 216 2H5* PR5 20 2H5' P5P 20 9.049 5.280 -6.779 217 H3* PR5 20 H3' P5P 20 6.592 3.645 -6.948 218 H3T PR5 20 HO3' P5P 20 8.573 1.819 -7.727 219 H8 PR5 20 H8 P5P 20 5.410 4.793 -4.311 220 H3 PR5 20 H2 P5P 20 3.110 -1.215 -4.091 221 H6 PR5 20 H6 P5P 20 1.117 2.364 -3.417 Start of MODEL 16 1 1H5* G 1 1H5' G 1 4.332 -5.844 -4.706 2 2H5* G 1 2H5' G 1 5.127 -6.798 -3.445 3 H4* G 1 H4' G 1 6.868 -5.521 -4.307 4 H3* G 1 H3' G 1 5.797 -3.974 -1.920 5 H2* G 1 H2' G 1 7.634 -2.512 -2.168 6 2HO* G 1 HO2' G 1 9.063 -4.305 -2.916 7 H1* G 1 H1' G 1 7.162 -2.121 -4.816 8 H8 G 1 H8 G 1 3.665 -2.695 -4.109 9 H1 G 1 H1 G 1 5.609 2.652 -1.114 10 1H2 G 1 2H2 G 1 7.829 2.651 -0.937 11 2H2 G 1 1H2 G 1 8.806 1.356 -1.635 12 H5T G 1 H5' G 1 4.281 -5.492 -1.883 13 1H5* G 2 1H5' G 2 9.175 -4.529 -0.194 14 2H5* G 2 2H5' G 2 9.032 -5.081 1.481 15 H4* G 2 H4' G 2 9.974 -2.769 1.175 16 H3* G 2 H3' G 2 7.416 -3.047 2.769 17 H2* G 2 H2' G 2 7.672 -0.709 3.271 18 2HO* G 2 HO2' G 2 10.085 -1.051 3.421 19 H1* G 2 H1' G 2 8.448 0.024 0.728 20 H8 G 2 H8 G 2 5.565 -2.353 0.250 21 H1 G 2 H1 G 2 3.809 3.438 2.485 22 1H2 G 2 2H2 G 2 5.627 4.494 3.301 23 2H2 G 2 1H2 G 2 7.224 3.769 3.120 24 1H5* U 3 1H5' U 3 10.052 -0.753 5.324 25 2H5* U 3 2H5' U 3 9.778 -1.200 7.015 26 H4* U 3 H4' U 3 9.309 1.229 6.413 27 H3* U 3 H3' U 3 7.168 -0.484 7.677 28 H2* U 3 H2' U 3 5.730 1.434 7.679 29 2HO* U 3 HO2' U 3 7.704 2.789 8.241 30 H1* U 3 H1' U 3 6.516 2.406 5.214 31 H3 U 3 H3 U 3 2.128 1.411 4.718 32 H5 U 3 H5 U 3 4.123 -2.246 4.168 33 H6 U 3 H6 U 3 6.160 -1.221 4.971 34 1H5* G 4 1H5' G 4 6.988 3.308 9.939 35 2H5* G 4 2H5' G 4 6.700 2.866 11.628 36 H4* G 4 H4' G 4 4.889 4.279 10.673 37 H3* G 4 H3' G 4 4.188 1.480 11.571 38 H2* G 4 H2' G 4 1.907 1.967 11.102 39 2HO* G 4 HO2' G 4 2.028 4.177 11.933 40 H1* G 4 H1' G 4 2.368 3.185 8.691 41 H8 G 4 H8 G 4 4.513 0.098 9.769 42 H1 G 4 H1 G 4 -0.511 -1.261 6.017 43 1H2 G 4 2H2 G 4 -1.806 0.567 5.759 44 2H2 G 4 1H2 G 4 -1.338 2.098 6.457 45 1H5* A 5 1H5' A 5 3.190 5.646 13.552 46 2H5* A 5 2H5' A 5 2.866 5.323 15.267 47 H4* A 5 H4' A 5 1.618 7.292 14.407 48 H3* A 5 H3' A 5 0.000 4.899 15.310 49 H2* A 5 H2' A 5 -1.950 6.221 14.978 50 2HO* A 5 HO2' A 5 -1.167 8.160 15.879 51 H1* A 5 H1' A 5 -1.100 7.372 12.620 52 H8 A 5 H8 A 5 -0.338 3.595 12.979 53 1H6 A 5 1H6 A 5 -6.085 2.892 10.696 54 2H6 A 5 2H6 A 5 -4.641 2.004 11.169 55 H2 A 5 H2 A 5 -5.473 7.151 11.415 56 1H5* A 6 1H5' A 6 -3.103 6.891 19.045 57 2H5* A 6 2H5' A 6 -3.176 5.689 17.750 58 H4* A 6 H4' A 6 -3.869 8.647 17.441 59 H3* A 6 H3' A 6 -5.527 6.168 17.856 60 H2* A 6 H2' A 6 -7.184 6.942 16.353 61 2HO* A 6 HO2' A 6 -7.112 9.155 17.039 62 H1* A 6 H1' A 6 -5.469 7.662 14.392 63 H8 A 6 H8 A 6 -3.600 4.830 15.897 64 1H6 A 6 1H6 A 6 -7.540 0.995 12.960 65 2H6 A 6 2H6 A 6 -6.060 1.070 13.912 66 H2 A 6 H2 A 6 -9.104 5.097 12.599 67 1H5* G 7 1H5' G 7 -9.080 7.052 17.451 68 2H5* G 7 2H5' G 7 -10.005 6.718 18.919 69 H4* G 7 H4' G 7 -10.245 4.930 17.273 70 H3* G 7 H3' G 7 -8.627 4.083 19.693 71 H2* G 7 H2' G 7 -8.779 1.848 18.759 72 2HO* G 7 HO2' G 7 -10.999 2.194 17.990 73 H1* G 7 H1' G 7 -8.171 2.660 16.219 74 H8 G 7 H8 G 7 -6.230 4.560 18.967 75 H1 G 7 H1 G 7 -3.843 -1.219 17.459 76 1H2 G 7 2H2 G 7 -5.370 -2.336 16.225 77 2H2 G 7 1H2 G 7 -6.851 -1.543 15.693 78 1H5* G 8 1H5' G 8 -12.039 1.259 19.123 79 2H5* G 8 2H5' G 8 -12.523 0.640 20.708 80 H4* G 8 H4' G 8 -11.927 -1.126 19.016 81 H3* G 8 H3' G 8 -10.323 -0.993 21.579 82 H2* G 8 H2' G 8 -9.319 -3.075 20.860 83 2HO* G 8 HO2' G 8 -11.438 -3.796 19.959 84 H1* G 8 H1' G 8 -8.968 -2.279 18.258 85 H8 G 8 H8 G 8 -8.161 0.680 20.517 86 H1 G 8 H1 G 8 -3.500 -3.759 20.278 87 1H2 G 8 2H2 G 8 -4.337 -5.671 19.451 88 2H2 G 8 1H2 G 8 -5.988 -5.735 18.834 89 1H5* C 9 1H5' C 9 -11.976 -5.100 21.232 90 2H5* C 9 2H5' C 9 -12.335 -5.715 22.856 91 H4* C 9 H4' C 9 -10.700 -7.118 21.564 92 H3* C 9 H3' C 9 -9.741 -5.843 24.140 93 H2* C 9 H2' C 9 -7.713 -7.126 23.849 94 2HO* C 9 HO2' C 9 -9.113 -8.928 22.893 95 H1* C 9 H1' C 9 -7.486 -6.601 21.164 96 1H4 C 9 2H4 C 9 -3.724 -2.440 24.021 97 2H4 C 9 1H4 C 9 -5.037 -1.285 24.268 98 H5 C 9 H5 C 9 -7.393 -1.900 23.762 99 H6 C 9 H6 C 9 -8.807 -3.644 22.892 100 1H5* U 10 1H5' U 10 -8.325 -9.816 24.579 101 2H5* U 10 2H5' U 10 -8.685 -10.351 26.229 102 H4* U 10 H4' U 10 -6.262 -10.426 25.770 103 H3* U 10 H3' U 10 -7.143 -8.317 27.773 104 H2* U 10 H2' U 10 -4.814 -7.975 28.233 105 2HO* U 10 HO2' U 10 -4.492 -10.422 27.883 106 H1* U 10 H1' U 10 -4.067 -8.069 25.565 107 H3 U 10 H3 U 10 -3.434 -3.765 26.994 108 H5 U 10 H5 U 10 -7.595 -4.075 26.514 109 H6 U 10 H6 U 10 -7.328 -6.423 26.025 110 H3T U 10 HO3' U 10 -6.729 -9.916 29.230 111 1H5* G 11 1H5' G 11 5.561 -6.594 25.977 112 2H5* G 11 2H5' G 11 6.241 -7.336 24.522 113 H4* G 11 H4' G 11 4.602 -8.857 25.166 114 H3* G 11 H3' G 11 3.283 -7.015 23.138 115 H2* G 11 H2' G 11 1.414 -8.451 23.186 116 2HO* G 11 HO2' G 11 2.820 -10.388 23.492 117 H1* G 11 H1' G 11 1.285 -8.468 25.907 118 H8 G 11 H8 G 11 2.623 -5.097 25.748 119 H1 G 11 H1 G 11 -3.329 -5.263 23.323 120 1H2 G 11 2H2 G 11 -3.831 -7.356 22.713 121 2H2 G 11 1H2 G 11 -2.698 -8.684 22.978 122 H5T G 11 H5' G 11 5.135 -5.924 23.246 123 1H5* C 12 1H5' C 12 3.011 -10.084 20.744 124 2H5* C 12 2H5' C 12 3.585 -9.726 19.107 125 H4* C 12 H4' C 12 1.148 -10.171 19.221 126 H3* C 12 H3' C 12 1.891 -7.332 18.462 127 H2* C 12 H2' C 12 -0.456 -7.083 17.957 128 2HO* C 12 HO2' C 12 -0.733 -9.175 17.015 129 H1* C 12 H1' C 12 -1.300 -8.425 20.217 130 1H4 C 12 2H4 C 12 -1.656 -2.181 21.335 131 2H4 C 12 1H4 C 12 0.016 -2.120 21.880 132 H5 C 12 H5 C 12 1.509 -4.090 21.706 133 H6 C 12 H6 C 12 1.624 -6.413 21.046 134 1H5* C 13 1H5' C 13 -0.460 -9.156 15.089 135 2H5* C 13 2H5' C 13 -0.125 -8.295 13.576 136 H4* C 13 H4' C 13 -2.538 -8.262 14.452 137 H3* C 13 H3' C 13 -1.160 -5.628 13.860 138 H2* C 13 H2' C 13 -3.309 -4.617 14.378 139 2HO* C 13 HO2' C 13 -4.411 -6.585 13.401 140 H1* C 13 H1' C 13 -3.755 -6.118 16.618 141 1H4 C 13 2H4 C 13 -1.363 -0.692 18.682 142 2H4 C 13 1H4 C 13 0.303 -1.269 18.561 143 H5 C 13 H5 C 13 0.814 -3.510 17.582 144 H6 C 13 H6 C 13 -0.166 -5.433 16.504 145 1H5* G 14 1H5' G 14 -4.969 -5.076 12.336 146 2H5* G 14 2H5' G 14 -4.985 -4.287 10.765 147 H4* G 14 H4' G 14 -6.186 -3.113 12.687 148 H3* G 14 H3' G 14 -4.844 -2.003 10.508 149 H2* G 14 H2' G 14 -2.913 -1.514 11.635 150 2HO* G 14 HO2' G 14 -3.047 0.562 11.187 151 H1* G 14 H1' G 14 -4.443 -0.605 14.064 152 H8 G 14 H8 G 14 -1.680 -3.116 13.146 153 H1 G 14 H1 G 14 0.272 1.876 16.716 154 1H2 G 14 1H2 G 14 -1.506 3.369 16.889 155 2H2 G 14 2H2 G 14 -3.020 2.930 16.083 156 1H5* A 15 1H5' A 15 -7.194 1.347 10.233 157 2H5* A 15 2H5' A 15 -8.175 1.173 8.771 158 H4* A 15 H4' A 15 -5.907 2.184 8.393 159 H3* A 15 H3' A 15 -6.944 -0.169 6.932 160 H2* A 15 H2' A 15 -4.965 -1.221 6.811 161 2HO* A 15 HO2' A 15 -4.714 0.471 4.930 162 H1* A 15 H1' A 15 -3.446 1.201 7.786 163 H8 A 15 H8 A 15 -3.515 -2.605 7.589 164 1H6 A 15 1H6 A 15 1.166 -2.448 11.676 165 2H6 A 15 2H6 A 15 0.126 -3.535 10.753 166 H2 A 15 H2 A 15 -0.264 1.655 11.152 167 1H5* A 16 1H5' A 16 -6.540 4.504 3.184 168 2H5* A 16 2H5' A 16 -5.430 3.668 4.279 169 H4* A 16 H4' A 16 -7.762 5.441 5.160 170 H3* A 16 H3' A 16 -4.831 5.991 4.707 171 H2* A 16 H2' A 16 -4.769 7.410 6.631 172 2HO* A 16 HO2' A 16 -7.074 8.098 6.090 173 H1* A 16 H1' A 16 -6.045 5.688 8.281 174 H8 A 16 H8 A 16 -4.390 3.115 6.254 175 1H6 A 16 1H6 A 16 0.680 4.279 9.618 176 2H6 A 16 2H6 A 16 -0.094 3.098 8.558 177 H2 A 16 H2 A 16 -1.943 7.800 9.919 178 1H5* G 17 1H5' G 17 -5.036 9.573 5.257 179 2H5* G 17 2H5' G 17 -4.346 10.541 3.938 180 H4* G 17 H4' G 17 -2.954 10.643 5.984 181 H3* G 17 H3' G 17 -1.716 9.215 3.617 182 H2* G 17 H2' G 17 0.292 9.006 4.937 183 2HO* G 17 HO2' G 17 -0.207 11.228 5.880 184 H1* G 17 H1' G 17 -0.975 8.263 7.241 185 H8 G 17 H8 G 17 -2.790 6.632 4.307 186 H1 G 17 H1 G 17 2.595 3.598 6.050 187 1H2 G 17 1H2 G 17 3.756 4.871 7.480 188 2H2 G 17 2H2 G 17 3.156 6.452 7.962 189 1H5* C 18 1H5' C 18 1.398 11.836 4.858 190 2H5* C 18 2H5' C 18 2.166 12.549 3.428 191 H4* C 18 H4' C 18 3.767 11.240 4.794 192 H3* C 18 H3' C 18 3.141 10.112 2.051 193 H2* C 18 H2' C 18 4.928 8.535 2.471 194 2HO* C 18 HO2' C 18 6.179 10.262 3.611 195 H1* C 18 H1' C 18 4.147 8.019 5.056 196 1H4 C 18 2H4 C 18 1.434 3.355 1.748 197 2H4 C 18 1H4 C 18 0.037 4.360 1.390 198 H5 C 18 H5 C 18 0.015 6.784 1.843 199 H6 C 18 H6 C 18 1.206 8.577 2.919 200 1H5* C 19 1H5' C 19 7.518 10.610 2.244 201 2H5* C 19 2H5' C 19 8.090 11.152 0.655 202 H4* C 19 H4' C 19 9.190 9.054 1.409 203 H3* C 19 H3' C 19 7.409 8.808 -1.036 204 H2* C 19 H2' C 19 8.320 6.565 -1.242 205 2HO* C 19 HO2' C 19 10.456 7.446 -0.381 206 H1* C 19 H1' C 19 8.050 6.006 1.432 207 1H4 C 19 2H4 C 19 2.830 3.616 -1.088 208 2H4 C 19 1H4 C 19 1.943 5.132 -0.899 209 H5 C 19 H5 C 19 3.127 7.237 -0.277 210 H6 C 19 H6 C 19 5.255 8.140 0.405 211 H2* PR5 20 H2' P5P 20 8.202 4.364 -6.182 212 2HO* PR5 20 HO2' P5P 20 10.541 3.723 -6.416 213 H1* PR5 20 H1' P5P 20 8.533 3.101 -3.758 214 H4* PR5 20 H4' P5P 20 11.166 5.044 -3.970 215 1H5* PR5 20 1H5' P5P 20 10.957 6.858 -2.287 216 2H5* PR5 20 2H5' P5P 20 11.382 7.472 -3.893 217 H3* PR5 20 H3' P5P 20 8.883 6.505 -5.358 218 H3T PR5 20 HO3' P5P 20 10.932 6.872 -6.261 219 H8 PR5 20 H8 P5P 20 7.186 6.613 -3.108 220 H3 PR5 20 H2 P5P 20 4.639 1.245 -5.583 221 H6 PR5 20 H6 P5P 20 2.703 4.604 -4.098 Start of MODEL 17 1 1H5* G 1 1H5' G 1 0.009 -6.630 -4.649 2 2H5* G 1 2H5' G 1 0.719 -7.730 -3.458 3 H4* G 1 H4' G 1 2.564 -7.025 -4.687 4 H3* G 1 H3' G 1 2.395 -5.174 -2.282 5 H2* G 1 H2' G 1 4.485 -4.292 -2.933 6 2HO* G 1 HO2' G 1 5.220 -6.433 -3.764 7 H1* G 1 H1' G 1 3.680 -3.857 -5.491 8 H8 G 1 H8 G 1 0.338 -3.418 -4.173 9 H1 G 1 H1 G 1 4.154 1.267 -1.974 10 1H2 G 1 2H2 G 1 6.289 0.644 -2.148 11 2H2 G 1 1H2 G 1 6.736 -0.875 -2.926 12 H5T G 1 H5' G 1 0.547 -6.191 -1.889 13 1H5* G 2 1H5' G 2 5.748 -6.704 -1.049 14 2H5* G 2 2H5' G 2 5.723 -7.116 0.672 15 H4* G 2 H4' G 2 7.247 -5.221 0.039 16 H3* G 2 H3' G 2 5.003 -4.629 1.984 17 H2* G 2 H2' G 2 6.026 -2.464 2.243 18 2HO* G 2 HO2' G 2 8.214 -3.550 2.064 19 H1* G 2 H1' G 2 6.537 -2.100 -0.438 20 H8 G 2 H8 G 2 3.064 -3.532 -0.354 21 H1 G 2 H1 G 2 3.398 2.504 1.893 22 1H2 G 2 2H2 G 2 5.559 2.997 2.357 23 2H2 G 2 1H2 G 2 6.821 1.826 1.982 24 1H5* U 3 1H5' U 3 8.020 -2.811 4.099 25 2H5* U 3 2H5' U 3 7.890 -3.274 5.805 26 H4* U 3 H4' U 3 7.595 -0.835 5.465 27 H3* U 3 H3' U 3 5.181 -2.356 6.472 28 H2* U 3 H2' U 3 4.079 -0.264 6.707 29 2HO* U 3 HO2' U 3 5.735 1.000 7.547 30 H1* U 3 H1' U 3 4.965 0.778 4.327 31 H3 U 3 H3 U 3 0.422 0.098 4.081 32 H5 U 3 H5 U 3 2.119 -3.641 3.227 33 H6 U 3 H6 U 3 4.281 -2.771 3.848 34 1H5* G 4 1H5' G 4 6.546 1.028 9.336 35 2H5* G 4 2H5' G 4 6.073 0.548 10.976 36 H4* G 4 H4' G 4 5.282 2.825 10.290 37 H3* G 4 H3' G 4 3.170 0.778 11.018 38 H2* G 4 H2' G 4 1.583 2.585 10.782 39 2HO* G 4 HO2' G 4 2.899 4.232 11.712 40 H1* G 4 H1' G 4 2.571 3.504 8.440 41 H8 G 4 H8 G 4 2.925 -0.315 8.462 42 H1 G 4 H1 G 4 -2.793 1.831 6.453 43 1H2 G 4 2H2 G 4 -3.027 3.981 6.983 44 2H2 G 4 1H2 G 4 -1.713 4.836 7.824 45 1H5* A 5 1H5' A 5 2.395 4.402 15.393 46 2H5* A 5 2H5' A 5 0.910 4.066 14.468 47 H4* A 5 H4' A 5 2.852 6.354 13.864 48 H3* A 5 H3' A 5 0.408 6.188 15.600 49 H2* A 5 H2' A 5 -0.385 8.271 14.820 50 2HO* A 5 HO2' A 5 1.577 9.362 15.018 51 H1* A 5 H1' A 5 0.405 7.992 12.200 52 H8 A 5 H8 A 5 -1.018 4.687 12.426 53 1H6 A 5 1H6 A 5 -6.615 7.367 12.087 54 2H6 A 5 2H6 A 5 -5.719 5.873 11.790 55 H2 A 5 H2 A 5 -3.735 10.452 13.308 56 1H5* A 6 1H5' A 6 -0.182 8.021 19.636 57 2H5* A 6 2H5' A 6 -0.761 6.383 19.343 58 H4* A 6 H4' A 6 -1.437 8.920 17.842 59 H3* A 6 H3' A 6 -2.905 6.524 18.977 60 H2* A 6 H2' A 6 -4.713 6.959 17.500 61 2HO* A 6 HO2' A 6 -4.294 9.363 17.879 62 H1* A 6 H1' A 6 -3.099 7.584 15.350 63 H8 A 6 H8 A 6 -1.155 4.716 16.389 64 1H6 A 6 1H6 A 6 -5.532 1.193 13.735 65 2H6 A 6 2H6 A 6 -3.856 1.185 14.285 66 H2 A 6 H2 A 6 -7.287 5.136 14.493 67 1H5* G 7 1H5' G 7 -6.163 8.085 19.466 68 2H5* G 7 2H5' G 7 -6.760 7.783 21.110 69 H4* G 7 H4' G 7 -8.082 6.522 19.505 70 H3* G 7 H3' G 7 -6.236 4.780 21.158 71 H2* G 7 H2' G 7 -7.336 2.887 20.129 72 2HO* G 7 HO2' G 7 -9.438 4.075 20.174 73 H1* G 7 H1' G 7 -7.244 3.917 17.604 74 H8 G 7 H8 G 7 -4.074 4.885 19.530 75 H1 G 7 H1 G 7 -3.975 -1.075 17.131 76 1H2 G 7 2H2 G 7 -6.097 -1.724 16.729 77 2H2 G 7 1H2 G 7 -7.417 -0.556 16.773 78 1H5* G 8 1H5' G 8 -10.260 3.056 21.580 79 2H5* G 8 2H5' G 8 -10.437 2.520 23.260 80 H4* G 8 H4' G 8 -10.847 0.704 21.614 81 H3* G 8 H3' G 8 -8.478 0.388 23.473 82 H2* G 8 H2' G 8 -8.245 -1.839 22.570 83 2HO* G 8 HO2' G 8 -10.666 -2.021 22.483 84 H1* G 8 H1' G 8 -8.652 -1.096 19.963 85 H8 G 8 H8 G 8 -6.498 1.603 21.558 86 H1 G 8 H1 G 8 -3.272 -3.770 20.118 87 1H2 G 8 2H2 G 8 -4.729 -5.478 19.995 88 2H2 G 8 1H2 G 8 -6.471 -5.182 20.012 89 1H5* C 9 1H5' C 9 -10.857 -3.270 23.995 90 2H5* C 9 2H5' C 9 -10.783 -3.749 25.701 91 H4* C 9 H4' C 9 -9.908 -5.493 24.139 92 H3* C 9 H3' C 9 -7.946 -4.286 26.108 93 H2* C 9 H2' C 9 -6.363 -5.933 25.325 94 2HO* C 9 HO2' C 9 -8.279 -7.490 25.082 95 H1* C 9 H1' C 9 -6.986 -5.618 22.669 96 1H4 C 9 2H4 C 9 -1.882 -2.067 23.462 97 2H4 C 9 1H4 C 9 -2.819 -0.665 23.988 98 H5 C 9 H5 C 9 -5.260 -0.861 24.446 99 H6 C 9 H6 C 9 -7.142 -2.366 24.366 100 1H5* U 10 1H5' U 10 -7.034 -8.377 26.505 101 2H5* U 10 2H5' U 10 -6.930 -8.752 28.232 102 H4* U 10 H4' U 10 -4.804 -9.257 27.117 103 H3* U 10 H3' U 10 -4.689 -6.831 28.954 104 H2* U 10 H2' U 10 -2.322 -6.888 28.645 105 2HO* U 10 HO2' U 10 -2.399 -9.322 28.667 106 H1* U 10 H1' U 10 -2.491 -7.391 25.921 107 H3 U 10 H3 U 10 -0.818 -3.154 26.355 108 H5 U 10 H5 U 10 -4.872 -2.740 27.374 109 H6 U 10 H6 U 10 -5.132 -5.131 27.167 110 H3T U 10 HO3' U 10 -5.217 -8.775 29.996 111 1H5* G 11 1H5' G 11 6.654 -7.843 22.169 112 2H5* G 11 2H5' G 11 6.493 -8.902 20.760 113 H4* G 11 H4' G 11 5.129 -9.928 22.340 114 H3* G 11 H3' G 11 3.303 -8.123 20.710 115 H2* G 11 H2' G 11 1.484 -9.100 21.848 116 2HO* G 11 HO2' G 11 2.604 -11.237 21.937 117 H1* G 11 H1' G 11 2.607 -8.744 24.308 118 H8 G 11 H8 G 11 4.163 -5.769 23.005 119 H1 G 11 H1 G 11 -2.218 -4.997 23.135 120 1H2 G 11 2H2 G 11 -3.213 -6.998 23.143 121 2H2 G 11 1H2 G 11 -2.273 -8.491 23.227 122 H5T G 11 H5' G 11 5.144 -7.464 19.791 123 1H5* C 12 1H5' C 12 1.548 -11.322 19.360 124 2H5* C 12 2H5' C 12 1.331 -11.304 17.601 125 H4* C 12 H4' C 12 -0.798 -11.135 18.885 126 H3* C 12 H3' C 12 -0.075 -8.711 17.215 127 H2* C 12 H2' C 12 -2.290 -7.924 17.759 128 2HO* C 12 HO2' C 12 -3.180 -10.144 17.606 129 H1* C 12 H1' C 12 -2.138 -8.657 20.413 130 1H4 C 12 2H4 C 12 -0.804 -2.488 20.079 131 2H4 C 12 1H4 C 12 0.921 -2.796 19.889 132 H5 C 12 H5 C 12 1.783 -5.112 19.563 133 H6 C 12 H6 C 12 1.146 -7.442 19.456 134 1H5* C 13 1H5' C 13 -4.091 -10.042 16.004 135 2H5* C 13 2H5' C 13 -4.386 -9.642 14.305 136 H4* C 13 H4' C 13 -5.966 -8.597 16.018 137 H3* C 13 H3' C 13 -4.445 -6.802 14.109 138 H2* C 13 H2' C 13 -5.738 -4.995 15.048 139 2HO* C 13 HO2' C 13 -7.641 -6.542 15.220 140 H1* C 13 H1' C 13 -5.511 -5.829 17.649 141 1H4 C 13 2H4 C 13 -1.206 -1.330 17.165 142 2H4 C 13 1H4 C 13 0.061 -2.464 16.687 143 H5 C 13 H5 C 13 -0.495 -4.846 16.147 144 H6 C 13 H6 C 13 -2.294 -6.460 16.070 145 1H5* G 14 1H5' G 14 -8.006 -4.843 13.970 146 2H5* G 14 2H5' G 14 -8.439 -4.486 12.293 147 H4* G 14 H4' G 14 -8.100 -2.435 13.664 148 H3* G 14 H3' G 14 -6.254 -2.930 11.328 149 H2* G 14 H2' G 14 -5.250 -0.796 11.764 150 2HO* G 14 HO2' G 14 -7.235 0.301 12.170 151 H1* G 14 H1' G 14 -5.219 -1.013 14.511 152 H8 G 14 H8 G 14 -4.338 -4.228 12.554 153 H1 G 14 H1 G 14 0.735 -0.550 13.982 154 1H2 G 14 1H2 G 14 0.113 1.341 14.764 155 2H2 G 14 2H2 G 14 -1.565 1.756 15.107 156 1H5* A 15 1H5' A 15 -8.595 1.167 10.901 157 2H5* A 15 2H5' A 15 -8.691 1.478 9.154 158 H4* A 15 H4' A 15 -7.589 3.324 10.445 159 H3* A 15 H3' A 15 -5.867 1.893 8.403 160 H2* A 15 H2' A 15 -4.135 3.495 8.935 161 2HO* A 15 HO2' A 15 -5.598 5.308 9.216 162 H1* A 15 H1' A 15 -4.353 3.180 11.598 163 H8 A 15 H8 A 15 -5.065 0.101 9.216 164 1H6 A 15 1H6 A 15 0.755 -1.462 10.581 165 2H6 A 15 2H6 A 15 -0.714 -1.987 9.765 166 H2 A 15 H2 A 15 0.002 2.518 12.316 167 1H5* A 16 1H5' A 16 -5.190 6.862 5.804 168 2H5* A 16 2H5' A 16 -3.959 6.274 6.941 169 H4* A 16 H4' A 16 -6.053 8.429 7.511 170 H3* A 16 H3' A 16 -3.154 8.494 6.724 171 H2* A 16 H2' A 16 -2.671 10.242 8.189 172 2HO* A 16 HO2' A 16 -4.597 11.453 7.861 173 H1* A 16 H1' A 16 -3.887 9.179 10.347 174 H8 A 16 H8 A 16 -3.082 5.922 9.093 175 1H6 A 16 2H6 A 16 2.991 7.088 9.702 176 2H6 A 16 1H6 A 16 1.820 5.808 9.427 177 H2 A 16 H2 A 16 0.847 10.871 10.281 178 1H5* G 17 1H5' G 17 -1.725 11.729 7.029 179 2H5* G 17 2H5' G 17 -1.209 12.451 5.500 180 H4* G 17 H4' G 17 0.655 11.384 6.727 181 H3* G 17 H3' G 17 -0.101 10.028 4.123 182 H2* G 17 H2' G 17 1.885 8.691 4.446 183 2HO* G 17 HO2' G 17 3.198 10.410 5.286 184 H1* G 17 H1' G 17 1.405 8.227 7.097 185 H8 G 17 H8 G 17 -1.857 8.282 5.107 186 H1 G 17 H1 G 17 1.314 2.686 4.802 187 1H2 G 17 1H2 G 17 3.321 2.920 5.641 188 2H2 G 17 2H2 G 17 3.884 4.452 6.303 189 1H5* C 18 1H5' C 18 4.192 11.322 4.133 190 2H5* C 18 2H5' C 18 4.692 11.708 2.477 191 H4* C 18 H4' C 18 6.121 9.963 3.583 192 H3* C 18 H3' C 18 4.547 9.124 1.132 193 H2* C 18 H2' C 18 5.828 7.071 1.234 194 2HO* C 18 HO2' C 18 7.790 8.260 1.907 195 H1* C 18 H1' C 18 5.575 6.821 3.966 196 1H4 C 18 2H4 C 18 1.028 3.119 1.528 197 2H4 C 18 1H4 C 18 -0.069 4.479 1.363 198 H5 C 18 H5 C 18 0.679 6.815 1.699 199 H6 C 18 H6 C 18 2.521 8.195 2.410 200 1H5* C 19 1H5' C 19 8.866 8.377 0.378 201 2H5* C 19 2H5' C 19 9.238 8.763 -1.305 202 H4* C 19 H4' C 19 9.896 6.431 -0.686 203 H3* C 19 H3' C 19 7.675 6.663 -2.753 204 H2* C 19 H2' C 19 7.669 4.297 -2.870 205 2HO* C 19 HO2' C 19 10.121 4.382 -2.665 206 H1* C 19 H1' C 19 7.998 3.840 -0.176 207 1H4 C 19 2H4 C 19 1.891 2.940 -1.488 208 2H4 C 19 1H4 C 19 1.513 4.654 -1.318 209 H5 C 19 H5 C 19 3.319 6.347 -1.057 210 H6 C 19 H6 C 19 5.703 6.635 -0.837 211 H2* PR5 20 H2' P5P 20 6.419 2.986 -7.543 212 2HO* PR5 20 HO2' P5P 20 8.534 2.390 -7.996 213 H1* PR5 20 H1' P5P 20 7.422 2.871 -4.916 214 H4* PR5 20 H4' P5P 20 9.141 5.173 -6.079 215 1H5* PR5 20 1H5' P5P 20 8.639 7.405 -7.012 216 2H5* PR5 20 2H5' P5P 20 6.976 7.307 -6.422 217 H3* PR5 20 H3' P5P 20 6.536 5.350 -7.652 218 H3T PR5 20 HO3' P5P 20 9.209 4.639 -8.324 219 H8 PR5 20 H8 P5P 20 5.007 5.448 -4.303 220 H3 PR5 20 H2 P5P 20 4.101 -0.510 -6.565 221 H6 PR5 20 H6 P5P 20 1.318 2.113 -4.950 Start of MODEL 18 1 1H5* G 1 1H5' G 1 8.046 -7.324 -1.018 2 2H5* G 1 2H5' G 1 8.924 -7.444 0.514 3 H4* G 1 H4' G 1 10.263 -6.018 -0.743 4 H3* G 1 H3' G 1 8.430 -4.228 0.892 5 H2* G 1 H2' G 1 9.716 -2.395 0.150 6 2HO* G 1 HO2' G 1 11.735 -3.716 0.118 7 H1* G 1 H1' G 1 9.497 -3.114 -2.462 8 H8 G 1 H8 G 1 6.323 -4.621 -1.630 9 H1 G 1 H1 G 1 5.980 1.727 -0.673 10 1H2 G 1 2H2 G 1 8.039 2.572 -0.495 11 2H2 G 1 1H2 G 1 9.468 1.554 -0.692 12 H5T G 1 H5' G 1 7.495 -6.062 1.474 13 1H5* G 2 1H5' G 2 11.508 -2.873 2.678 14 2H5* G 2 2H5' G 2 11.370 -2.896 4.442 15 H4* G 2 H4' G 2 11.531 -0.617 3.438 16 H3* G 2 H3' G 2 8.975 -1.260 4.931 17 H2* G 2 H2' G 2 8.461 1.089 4.683 18 2HO* G 2 HO2' G 2 10.842 1.579 4.995 19 H1* G 2 H1' G 2 9.300 1.226 2.059 20 H8 G 2 H8 G 2 7.385 -2.007 2.298 21 H1 G 2 H1 G 2 3.658 3.257 2.433 22 1H2 G 2 2H2 G 2 4.941 5.062 2.864 23 2H2 G 2 1H2 G 2 6.681 4.875 3.067 24 1H5* U 3 1H5' U 3 10.082 2.438 6.649 25 2H5* U 3 2H5' U 3 9.874 2.325 8.404 26 H4* U 3 H4' U 3 8.506 4.137 7.396 27 H3* U 3 H3' U 3 7.037 1.827 8.684 28 H2* U 3 H2' U 3 5.015 3.008 8.319 29 2HO* U 3 HO2' U 3 5.786 5.056 8.987 30 H1* U 3 H1' U 3 5.720 4.000 5.815 31 H3 U 3 H3 U 3 2.143 1.244 5.065 32 H5 U 3 H5 U 3 5.347 -1.380 5.713 33 H6 U 3 H6 U 3 6.734 0.502 6.337 34 1H5* G 4 1H5' G 4 4.304 3.761 12.507 35 2H5* G 4 2H5' G 4 4.129 2.644 11.140 36 H4* G 4 H4' G 4 3.293 5.575 11.105 37 H3* G 4 H3' G 4 1.767 3.031 11.684 38 H2* G 4 H2' G 4 -0.104 3.872 10.428 39 2HO* G 4 HO2' G 4 0.000 6.054 11.107 40 H1* G 4 H1' G 4 1.324 4.698 8.287 41 H8 G 4 H8 G 4 3.462 1.827 9.248 42 H1 G 4 H1 G 4 -2.079 -0.157 6.683 43 1H2 G 4 2H2 G 4 -3.593 1.486 6.756 44 2H2 G 4 1H2 G 4 -3.177 3.081 7.340 45 1H5* A 5 1H5' A 5 0.428 7.280 12.650 46 2H5* A 5 2H5' A 5 -0.444 7.358 14.184 47 H4* A 5 H4' A 5 -1.219 8.887 12.291 48 H3* A 5 H3' A 5 -3.204 7.085 13.688 49 H2* A 5 H2' A 5 -4.896 8.288 12.461 50 2HO* A 5 HO2' A 5 -3.795 10.381 12.530 51 H1* A 5 H1' A 5 -3.623 8.026 10.087 52 H8 A 5 H8 A 5 -2.530 4.780 11.336 53 1H6 A 5 1H6 A 5 -8.332 2.753 10.378 54 2H6 A 5 2H6 A 5 -6.678 2.236 10.693 55 H2 A 5 H2 A 5 -8.446 7.149 10.431 56 1H5* A 6 1H5' A 6 -5.614 8.428 16.769 57 2H5* A 6 2H5' A 6 -4.765 7.261 15.718 58 H4* A 6 H4' A 6 -7.564 8.321 15.134 59 H3* A 6 H3' A 6 -6.734 5.837 16.661 60 H2* A 6 H2' A 6 -8.732 4.805 15.759 61 2HO* A 6 HO2' A 6 -9.857 6.976 15.931 62 H1* A 6 H1' A 6 -8.288 5.671 13.217 63 H8 A 6 H8 A 6 -4.833 4.967 14.534 64 1H6 A 6 1H6 A 6 -6.132 -1.036 13.562 65 2H6 A 6 2H6 A 6 -4.813 0.072 13.897 66 H2 A 6 H2 A 6 -9.881 1.208 13.191 67 1H5* G 7 1H5' G 7 -10.381 5.190 17.487 68 2H5* G 7 2H5' G 7 -10.611 4.844 19.211 69 H4* G 7 H4' G 7 -11.140 2.898 17.762 70 H3* G 7 H3' G 7 -8.785 2.599 19.637 71 H2* G 7 H2' G 7 -8.709 0.278 18.952 72 2HO* G 7 HO2' G 7 -11.098 0.175 18.839 73 H1* G 7 H1' G 7 -8.967 0.811 16.291 74 H8 G 7 H8 G 7 -6.815 3.614 17.686 75 H1 G 7 H1 G 7 -3.675 -1.965 17.051 76 1H2 G 7 2H2 G 7 -5.180 -3.636 16.818 77 2H2 G 7 1H2 G 7 -6.897 -3.276 16.646 78 1H5* G 8 1H5' G 8 -11.622 -0.760 20.315 79 2H5* G 8 2H5' G 8 -11.652 -1.128 22.047 80 H4* G 8 H4' G 8 -11.096 -3.094 20.590 81 H3* G 8 H3' G 8 -9.066 -2.160 22.628 82 H2* G 8 H2' G 8 -7.755 -4.097 22.033 83 2HO* G 8 HO2' G 8 -9.826 -5.361 21.790 84 H1* G 8 H1' G 8 -8.113 -3.839 19.334 85 H8 G 8 H8 G 8 -7.655 -0.318 20.691 86 H1 G 8 H1 G 8 -2.172 -3.644 20.232 87 1H2 G 8 2H2 G 8 -2.650 -5.838 20.184 88 2H2 G 8 1H2 G 8 -4.317 -6.400 20.023 89 1H5* C 9 1H5' C 9 -9.591 -6.426 23.449 90 2H5* C 9 2H5' C 9 -9.536 -6.676 25.204 91 H4* C 9 H4' C 9 -7.757 -7.925 23.975 92 H3* C 9 H3' C 9 -6.853 -5.765 25.899 93 H2* C 9 H2' C 9 -4.598 -6.511 25.470 94 2HO* C 9 HO2' C 9 -5.520 -8.810 25.309 95 H1* C 9 H1' C 9 -4.942 -6.777 22.756 96 1H4 C 9 2H4 C 9 -2.219 -1.164 23.445 97 2H4 C 9 1H4 C 9 -3.760 -0.341 23.704 98 H5 C 9 H5 C 9 -5.867 -1.635 23.990 99 H6 C 9 H6 C 9 -6.807 -3.855 23.975 100 1H5* U 10 1H5' U 10 -4.190 -8.825 26.946 101 2H5* U 10 2H5' U 10 -4.186 -8.968 28.711 102 H4* U 10 H4' U 10 -1.933 -8.450 27.901 103 H3* U 10 H3' U 10 -3.277 -6.134 29.352 104 H2* U 10 H2' U 10 -1.154 -5.046 29.286 105 2HO* U 10 HO2' U 10 -0.065 -7.191 29.669 106 H1* U 10 H1' U 10 -0.628 -5.797 26.668 107 H3 U 10 H3 U 10 -1.266 -1.267 26.606 108 H5 U 10 H5 U 10 -5.135 -2.819 27.112 109 H6 U 10 H6 U 10 -4.188 -5.035 27.271 110 H3T U 10 HO3' U 10 -2.974 -7.990 30.620 111 1H5* G 11 1H5' G 11 8.071 -2.312 24.280 112 2H5* G 11 2H5' G 11 8.663 -3.451 23.062 113 H4* G 11 H4' G 11 7.637 -4.843 24.617 114 H3* G 11 H3' G 11 5.530 -4.257 22.505 115 H2* G 11 H2' G 11 4.170 -5.870 23.548 116 2HO* G 11 HO2' G 11 6.092 -7.212 24.133 117 H1* G 11 H1' G 11 4.532 -4.803 26.036 118 H8 G 11 H8 G 11 4.801 -1.575 24.482 119 H1 G 11 H1 G 11 -1.119 -3.901 23.554 120 1H2 G 11 2H2 G 11 -1.089 -6.129 23.770 121 2H2 G 11 1H2 G 11 0.383 -6.983 24.240 122 H5T G 11 H5' G 11 7.009 -2.913 21.710 123 1H5* C 12 1H5' C 12 5.547 -7.983 21.587 124 2H5* C 12 2H5' C 12 5.742 -8.275 19.851 125 H4* C 12 H4' C 12 3.537 -8.993 20.716 126 H3* C 12 H3' C 12 3.453 -6.663 18.779 127 H2* C 12 H2' C 12 1.056 -6.995 18.800 128 2HO* C 12 HO2' C 12 1.335 -9.375 18.925 129 H1* C 12 H1' C 12 0.926 -7.324 21.535 130 1H4 C 12 2H4 C 12 -0.573 -1.313 20.310 131 2H4 C 12 1H4 C 12 1.103 -0.784 20.458 132 H5 C 12 H5 C 12 2.951 -2.442 20.711 133 H6 C 12 H6 C 12 3.452 -4.795 20.925 134 1H5* C 13 1H5' C 13 0.817 -9.802 17.216 135 2H5* C 13 2H5' C 13 0.856 -9.774 15.446 136 H4* C 13 H4' C 13 -1.434 -9.446 16.442 137 H3* C 13 H3' C 13 -0.298 -7.189 14.770 138 H2* C 13 H2' C 13 -2.453 -6.182 14.953 139 2HO* C 13 HO2' C 13 -3.691 -8.073 14.647 140 H1* C 13 H1' C 13 -2.803 -6.833 17.620 141 1H4 C 13 2H4 C 13 -1.159 -0.748 17.252 142 2H4 C 13 1H4 C 13 0.564 -1.115 17.144 143 H5 C 13 H5 C 13 1.366 -3.477 17.003 144 H6 C 13 H6 C 13 0.645 -5.787 16.917 145 1H5* G 14 1H5' G 14 -3.910 -6.695 10.922 146 2H5* G 14 2H5' G 14 -2.664 -5.666 11.638 147 H4* G 14 H4' G 14 -5.469 -6.088 12.740 148 H3* G 14 H3' G 14 -4.288 -4.141 10.859 149 H2* G 14 H2' G 14 -4.643 -2.173 12.097 150 2HO* G 14 HO2' G 14 -6.873 -3.403 12.611 151 H1* G 14 H1' G 14 -4.406 -3.076 14.666 152 H8 G 14 H8 G 14 -1.569 -4.973 13.315 153 H1 G 14 H1 G 14 -0.131 1.226 14.192 154 1H2 G 14 1H2 G 14 -1.859 2.413 14.199 155 2H2 G 14 2H2 G 14 -3.507 1.808 14.188 156 1H5* A 15 1H5' A 15 -7.670 -1.936 11.167 157 2H5* A 15 2H5' A 15 -8.638 -2.064 9.690 158 H4* A 15 H4' A 15 -8.183 0.256 10.272 159 H3* A 15 H3' A 15 -7.960 -0.694 7.702 160 H2* A 15 H2' A 15 -5.676 -1.202 7.724 161 2HO* A 15 HO2' A 15 -6.173 1.340 6.799 162 H1* A 15 H1' A 15 -4.950 1.309 9.212 163 H8 A 15 H8 A 15 -4.286 -2.515 8.809 164 1H6 A 15 1H6 A 15 1.291 -1.027 11.101 165 2H6 A 15 2H6 A 15 0.341 -2.341 10.410 166 H2 A 15 H2 A 15 -1.291 2.524 11.414 167 1H5* A 16 1H5' A 16 -9.302 3.331 5.434 168 2H5* A 16 2H5' A 16 -7.704 3.348 6.205 169 H4* A 16 H4' A 16 -9.746 5.612 6.107 170 H3* A 16 H3' A 16 -6.957 5.181 5.006 171 H2* A 16 H2' A 16 -6.495 7.524 5.314 172 2HO* A 16 HO2' A 16 -8.856 7.989 4.779 173 H1* A 16 H1' A 16 -7.346 7.627 7.852 174 H8 A 16 H8 A 16 -6.233 4.051 7.607 175 1H6 A 16 1H6 A 16 -0.439 6.165 8.145 176 2H6 A 16 2H6 A 16 -1.398 4.693 8.034 177 H2 A 16 H2 A 16 -3.042 9.637 7.476 178 1H5* G 17 1H5' G 17 -6.972 8.314 3.256 179 2H5* G 17 2H5' G 17 -6.455 8.245 1.565 180 H4* G 17 H4' G 17 -4.868 9.403 3.203 181 H3* G 17 H3' G 17 -3.877 7.083 1.535 182 H2* G 17 H2' G 17 -1.672 7.628 2.396 183 2HO* G 17 HO2' G 17 -2.083 9.957 2.327 184 H1* G 17 H1' G 17 -2.513 7.949 4.978 185 H8 G 17 H8 G 17 -4.458 5.035 3.486 186 H1 G 17 H1 G 17 1.546 3.553 5.288 187 1H2 G 17 1H2 G 17 2.653 5.371 5.775 188 2H2 G 17 2H2 G 17 1.910 6.967 5.668 189 1H5* C 18 1H5' C 18 -1.372 10.731 0.947 190 2H5* C 18 2H5' C 18 -0.760 10.785 -0.714 191 H4* C 18 H4' C 18 1.042 10.847 1.042 192 H3* C 18 H3' C 18 1.000 8.499 -0.871 193 H2* C 18 H2' C 18 3.142 7.896 0.083 194 2HO* C 18 HO2' C 18 3.757 10.210 0.247 195 H1* C 18 H1' C 18 2.359 8.373 2.676 196 1H4 C 18 2H4 C 18 1.525 2.119 1.890 197 2H4 C 18 1H4 C 18 -0.089 2.381 1.249 198 H5 C 18 H5 C 18 -0.912 4.619 0.639 199 H6 C 18 H6 C 18 -0.417 6.970 0.712 200 1H5* C 19 1H5' C 19 4.962 10.458 -1.231 201 2H5* C 19 2H5' C 19 5.495 10.358 -2.921 202 H4* C 19 H4' C 19 7.111 9.321 -1.334 203 H3* C 19 H3' C 19 5.754 7.426 -3.278 204 H2* C 19 H2' C 19 7.325 5.759 -2.464 205 2HO* C 19 HO2' C 19 8.986 7.567 -2.232 206 H1* C 19 H1' C 19 6.959 6.436 0.173 207 1H4 C 19 2H4 C 19 3.035 1.615 -0.815 208 2H4 C 19 1H4 C 19 1.718 2.680 -1.323 209 H5 C 19 H5 C 19 2.132 5.098 -1.762 210 H6 C 19 H6 C 19 3.790 6.840 -1.642 211 H2* PR5 20 H2' P5P 20 8.276 1.699 -6.094 212 2HO* PR5 20 HO2' P5P 20 10.708 1.777 -6.146 213 H1* PR5 20 H1' P5P 20 8.748 1.687 -3.384 214 H4* PR5 20 H4' P5P 20 10.687 4.097 -4.487 215 1H5* PR5 20 1H5' P5P 20 9.776 6.272 -3.686 216 2H5* PR5 20 2H5' P5P 20 10.166 6.281 -5.414 217 H3* PR5 20 H3' P5P 20 8.203 4.085 -6.249 218 H3T PR5 20 HO3' P5P 20 10.116 4.676 -7.314 219 H8 PR5 20 H8 P5P 20 6.374 4.573 -4.003 220 H3 PR5 20 H2 P5P 20 5.736 -1.818 -4.418 221 H6 PR5 20 H6 P5P 20 2.782 1.082 -4.105
Contact the webmaster for help, if required. Tuesday, May 21, 2024 8:07:56 PM GMT (wattos1)