NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623078 | 5odm | 34158 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5 DCZ 1 H5 DC 1 28.795 11.494 30.881 2 H6 DCZ 1 H6 DC 1 29.636 10.454 28.820 3 HN41 DCZ 1 H41 DC 1 25.630 10.319 32.344 4 HN42 DCZ 1 H42 DC 1 26.986 11.440 32.515 5 H1' DCZ 1 H1' DC 1 27.814 7.634 27.152 6 H2'1 DCZ 1 H2' DC 1 27.692 10.460 26.580 7 H2'2 DCZ 1 H2'' DC 1 27.522 9.073 25.462 8 H3' DCZ 1 H3' DC 1 30.000 10.663 26.208 9 H4' DCZ 1 H4' DC 1 29.966 7.758 25.320 10 H5'1 DCZ 1 H5' DC 1 32.217 7.649 26.210 11 H5'2 DCZ 1 H5'' DC 1 32.126 8.972 25.042 12 HO51 DCZ 1 HO5' DC 1 32.037 9.228 27.905 13 H5' DG 2 H5' DG 2 26.881 9.355 23.026 14 H5'' DG 2 H5'' DG 2 27.197 10.480 21.705 15 H4' DG 2 H4' DG 2 24.877 10.002 21.699 16 H3' DG 2 H3' DG 2 25.847 12.592 21.789 17 H2' DG 2 H2' DG 2 25.360 13.037 24.023 18 H2'' DG 2 H2'' DG 2 23.782 13.507 23.339 19 H1' DG 2 H1' DG 2 22.771 11.459 23.894 20 H8 DG 2 H8 DG 2 26.087 11.772 25.908 21 H1 DG 2 H1 DG 2 20.733 11.323 29.480 22 H21 DG 2 H21 DG 2 19.181 11.279 26.400 23 H22 DG 2 H22 DG 2 18.985 11.262 28.153 24 H5' DA 3 H5' DA 3 21.131 13.031 21.133 25 H5'' DA 3 H5'' DA 3 20.849 14.509 20.201 26 H4' DA 3 H4' DA 3 19.519 14.541 22.231 27 H3' DA 3 H3' DA 3 21.851 16.477 22.259 28 H2' DA 3 H2' DA 3 21.422 16.966 24.444 29 H2'' DA 3 H2'' DA 3 19.657 16.812 24.242 30 H1' DA 3 H1' DA 3 19.567 14.683 24.831 31 H8 DA 3 H8 DA 3 23.452 14.967 25.059 32 H61 DA 3 H61 DA 3 22.273 14.511 31.209 33 H62 DA 3 H62 DA 3 23.588 14.592 30.035 34 H2 DA 3 H2 DA 3 18.482 14.682 29.158 35 H5' DT 4 H5' DT 4 17.504 17.806 22.909 36 H5'' DT 4 H5'' DT 4 17.197 19.537 22.754 37 H4' DT 4 H4' DT 4 16.179 18.558 24.763 38 H3' DT 4 H3' DT 4 18.466 20.446 25.396 39 H2' DT 4 H2' DT 4 17.662 20.300 27.681 40 H2'' DT 4 H2'' DT 4 16.174 19.484 27.182 41 H1' DT 4 H1' DT 4 17.365 17.580 27.557 42 H3 DT 4 H3 DT 4 20.839 17.936 30.343 43 H71 DT 4 H71 DT 4 23.485 17.823 26.266 44 H72 DT 4 H72 DT 4 22.545 18.956 25.262 45 H73 DT 4 H73 DT 4 23.467 19.548 26.663 46 H6 DT 4 H6 DT 4 20.263 18.795 25.634 47 H5' DG 5 H5' DG 5 14.204 20.363 28.098 48 H5'' DG 5 H5'' DG 5 13.003 21.404 27.325 49 H4' DG 5 H4' DG 5 12.955 21.812 29.644 50 H3' DG 5 H3' DG 5 13.257 23.893 27.865 51 H2' DG 5 H2' DG 5 15.519 24.278 28.086 52 H2'' DG 5 H2'' DG 5 15.029 25.259 29.482 53 H1' DG 5 H1' DG 5 15.661 23.673 31.023 54 H8 DG 5 H8 DG 5 17.239 23.038 27.517 55 H1 DG 5 H1 DG 5 20.875 21.348 32.569 56 H21 DG 5 H21 DG 5 19.905 22.074 34.397 57 H22 DG 5 H22 DG 5 18.315 22.827 34.325 58 H5' DT 6 H5' DT 6 12.579 24.473 32.459 59 H5'' DT 6 H5'' DT 6 11.745 25.963 32.927 60 H4' DT 6 H4' DT 6 13.528 25.307 34.527 61 H3' DT 6 H3' DT 6 13.783 27.901 33.012 62 H2' DT 6 H2' DT 6 15.954 28.203 33.727 63 H2'' DT 6 H2'' DT 6 15.656 27.366 35.277 64 H1' DT 6 H1' DT 6 16.427 25.509 34.582 65 H3 DT 6 H3 DT 6 20.254 25.108 32.431 66 H71 DT 6 H71 DT 6 18.324 27.540 28.752 67 H72 DT 6 H72 DT 6 17.634 25.951 28.394 68 H73 DT 6 H73 DT 6 16.586 27.261 28.991 69 H6 DT 6 H6 DT 6 15.981 27.006 31.210 70 H5' DA 7 H5' DA 7 14.895 28.017 37.303 71 H5'' DA 7 H5'' DA 7 14.507 29.522 38.133 72 H4' DA 7 H4' DA 7 16.839 28.838 38.460 73 H3' DA 7 H3' DA 7 16.056 31.454 37.661 74 H2' DA 7 H2' DA 7 17.082 31.343 35.600 75 H2'' DA 7 H2'' DA 7 18.529 31.823 36.521 76 H1' DA 7 H1' DA 7 19.260 29.534 36.775 77 H8 DA 7 H8 DA 7 16.989 30.266 33.699 78 H61 DA 7 H61 DA 7 21.546 27.734 30.356 79 H62 DA 7 H62 DA 7 20.061 28.677 30.266 80 H2 DA 7 H2 DA 7 22.794 27.558 34.516 81 H5' DC 8 H5' DC 8 20.188 30.346 39.117 82 H5'' DC 8 H5'' DC 8 20.791 31.414 40.388 83 H4' DC 8 H4' DC 8 22.617 30.501 39.086 84 H3' DC 8 H3' DC 8 22.234 33.301 39.455 85 H2' DC 8 H2' DC 8 22.052 33.824 37.226 86 H2'' DC 8 H2'' DC 8 23.825 33.647 37.225 87 H1' DC 8 H1' DC 8 23.758 31.419 36.469 88 H41 DC 8 H41 DC 8 20.944 31.656 30.768 89 H42 DC 8 H42 DC 8 19.552 32.484 31.426 90 H5 DC 8 H5 DC 8 19.348 33.122 33.723 91 H6 DC 8 H6 DC 8 20.457 33.085 35.902 92 H5' DA 9 H5' DA 9 26.455 32.136 38.208 93 H5'' DA 9 H5'' DA 9 27.749 33.135 38.870 94 H4' DA 9 H4' DA 9 27.956 32.814 36.465 95 H3' DA 9 H3' DA 9 28.153 35.327 37.693 96 H2' DA 9 H2' DA 9 26.084 36.064 36.890 97 H2'' DA 9 H2'' DA 9 27.092 36.613 35.530 98 H1' DA 9 H1' DA 9 26.687 34.562 34.289 99 H8 DA 9 H8 DA 9 23.917 36.001 36.616 100 H61 DA 9 H61 DA 9 20.365 35.611 31.487 101 H62 DA 9 H62 DA 9 20.374 36.204 33.148 102 H2 DA 9 H2 DA 9 24.126 33.739 30.583 103 H5' DT 10 H5' DT 10 28.823 34.888 33.212 104 H5'' DT 10 H5'' DT 10 30.304 35.703 32.701 105 H4' DT 10 H4' DT 10 28.846 35.970 30.914 106 H3' DT 10 H3' DT 10 28.561 38.491 32.591 107 H2' DT 10 H2' DT 10 27.364 39.325 30.721 108 H2'' DT 10 H2'' DT 10 28.089 38.134 29.608 109 H1' DT 10 H1' DT 10 26.430 36.695 30.013 110 H3 DT 10 H3 DT 10 22.339 38.409 30.105 111 H71 DT 10 H71 DT 10 22.683 38.581 34.871 112 H72 DT 10 H72 DT 10 24.436 38.724 35.130 113 H73 DT 10 H73 DT 10 23.485 40.120 34.565 114 H6 DT 10 H6 DT 10 25.873 38.158 33.384 115 H5' DC 11 H5' DC 11 30.570 39.691 28.939 116 H5'' DC 11 H5'' DC 11 31.692 41.037 29.192 117 H4' DC 11 H4' DC 11 29.976 41.578 27.514 118 H3' DC 11 H3' DC 11 30.644 43.274 29.659 119 H2' DC 11 H2' DC 11 28.715 42.824 30.868 120 H2'' DC 11 H2'' DC 11 28.119 44.211 29.913 121 H1' DC 11 H1' DC 11 27.279 42.770 28.155 122 H41 DC 11 H41 DC 11 22.751 41.786 32.684 123 H42 DC 11 H42 DC 11 21.981 41.730 31.090 124 H5 DC 11 H5 DC 11 25.138 41.617 32.940 125 H6 DC 11 H6 DC 11 27.251 41.680 31.746 126 H5' DG 12 H5' DG 12 30.749 43.574 25.446 127 H5'' DG 12 H5'' DG 12 31.347 44.863 24.401 128 H4' DG 12 H4' DG 12 29.361 43.867 23.440 129 H3' DG 12 H3' DG 12 29.624 46.624 23.772 130 HO3' DG 12 HO3' DG 12 28.037 46.713 22.106 131 H2' DG 12 H2' DG 12 28.185 46.722 25.672 132 H2'' DG 12 H2'' DG 12 27.007 47.036 24.359 133 H1' DG 12 H1' DG 12 26.425 44.709 24.202 134 H8 DG 12 H8 DG 12 27.690 45.607 27.791 135 H1 DG 12 H1 DG 12 21.426 44.155 27.256 136 H21 DG 12 H21 DG 12 20.963 43.783 25.130 137 H22 DG 12 H22 DG 12 22.250 43.731 23.923 138 H5 DCZ 13 H5 DC 13 17.295 44.606 30.394 139 H6 DCZ 13 H6 DC 13 15.819 44.819 28.443 140 HN41 DCZ 13 H41 DC 13 20.924 44.236 29.883 141 HN42 DCZ 13 H42 DC 13 19.625 44.402 31.074 142 H1' DCZ 13 H1' DC 13 17.208 45.052 24.986 143 H2'1 DCZ 13 H2' DC 13 15.131 43.292 26.366 144 H2'2 DCZ 13 H2'' DC 13 16.223 42.870 25.000 145 H3' DCZ 13 H3' DC 13 13.760 43.844 24.444 146 H4' DCZ 13 H4' DC 13 14.433 46.517 24.500 147 H5'1 DCZ 13 H5' DC 13 12.384 45.572 25.495 148 H5'2 DCZ 13 H5'' DC 13 13.317 44.928 26.854 149 HO51 DCZ 13 HO5' DC 13 13.941 47.188 27.290 150 H5' DG 14 H5' DG 14 17.533 42.268 21.628 151 H5'' DG 14 H5'' DG 14 16.332 41.230 20.836 152 H4' DG 14 H4' DG 14 17.874 39.780 21.924 153 H3' DG 14 H3' DG 14 15.129 39.786 22.833 154 H2' DG 14 H2' DG 14 15.744 40.503 24.957 155 H2'' DG 14 H2'' DG 14 15.978 38.740 25.187 156 H1' DG 14 H1' DG 14 18.343 38.935 24.501 157 H8 DG 14 H8 DG 14 16.344 40.583 27.124 158 H1 DG 14 H1 DG 14 22.640 41.118 28.365 159 H21 DG 14 H21 DG 14 23.021 40.303 25.042 160 H22 DG 14 H22 DG 14 23.792 40.799 26.548 161 H5' DA 15 H5' DA 15 18.290 37.503 20.595 162 H5'' DA 15 H5'' DA 15 18.361 35.858 19.965 163 H4' DA 15 H4' DA 15 20.042 36.084 21.644 164 H3' DA 15 H3' DA 15 17.668 34.413 22.507 165 H2' DA 15 H2' DA 15 18.532 34.233 24.595 166 H2'' DA 15 H2'' DA 15 20.214 34.144 24.016 167 H1' DA 15 H1' DA 15 20.599 36.320 24.163 168 H8 DA 15 H8 DA 15 16.872 36.408 25.365 169 H61 DA 15 H61 DA 15 19.679 38.209 30.722 170 H62 DA 15 H62 DA 15 18.074 37.930 30.040 171 H2 DA 15 H2 DA 15 22.729 37.342 27.848 172 H5' DT 16 H5' DT 16 21.959 33.534 21.782 173 H5'' DT 16 H5'' DT 16 22.555 31.879 21.610 174 H4' DT 16 H4' DT 16 24.072 33.340 22.916 175 H3' DT 16 H3' DT 16 22.821 30.952 24.294 176 H2' DT 16 H2' DT 16 23.931 31.549 26.294 177 H2'' DT 16 H2'' DT 16 25.166 32.489 25.426 178 H1' DT 16 H1' DT 16 23.981 34.338 25.883 179 H3 DT 16 H3 DT 16 21.654 34.542 29.699 180 H71 DT 16 H71 DT 16 17.856 33.295 26.972 181 H72 DT 16 H72 DT 16 18.583 32.035 25.944 182 H73 DT 16 H73 DT 16 18.297 31.733 27.677 183 H6 DT 16 H6 DT 16 20.820 32.412 25.452 184 H5' DG 17 H5' DG 17 27.179 30.182 24.288 185 H5'' DG 17 H5'' DG 17 27.586 28.860 23.192 186 H4' DG 17 H4' DG 17 28.807 28.639 25.222 187 H3' DG 17 H3' DG 17 27.429 26.491 24.218 188 H2' DG 17 H2' DG 17 25.536 26.549 25.512 189 H2'' DG 17 H2'' DG 17 26.517 25.681 26.699 190 H1' DG 17 H1' DG 17 26.766 27.494 28.059 191 H8 DG 17 H8 DG 17 23.955 28.048 25.427 192 H1 DG 17 H1 DG 17 22.906 30.763 31.182 193 H21 DG 17 H21 DG 17 24.597 30.273 32.518 194 H22 DG 17 H22 DG 17 26.001 29.405 31.892 195 H5' DT 18 H5' DT 18 29.940 26.906 27.945 196 H5'' DT 18 H5'' DT 18 31.044 25.572 28.280 197 H4' DT 18 H4' DT 18 30.448 26.871 30.276 198 H3' DT 18 H3' DT 18 30.491 24.086 30.164 199 H2' DT 18 H2' DT 18 28.173 23.762 30.194 200 H2'' DT 18 H2'' DT 18 28.439 23.869 31.962 201 H1' DT 18 H1' DT 18 27.923 26.159 32.047 202 H3 DT 18 H3 DT 18 23.540 27.124 31.651 203 H71 DT 18 H71 DT 18 23.863 25.442 27.075 204 H72 DT 18 H72 DT 18 24.926 24.041 27.372 205 H73 DT 18 H73 DT 18 23.275 24.072 28.016 206 H6 DT 18 H6 DT 18 26.582 24.542 28.929 207 H5' DA 19 H5' DA 19 30.126 25.043 34.865 208 H5'' DA 19 H5'' DA 19 30.927 23.725 35.725 209 H4' DA 19 H4' DA 19 28.623 24.066 36.447 210 H3' DA 19 H3' DA 19 29.386 21.433 35.352 211 H2' DA 19 H2' DA 19 27.371 21.124 34.359 212 H2'' DA 19 H2'' DA 19 26.604 21.208 35.960 213 H1' DA 19 H1' DA 19 26.131 23.491 35.816 214 H8 DA 19 H8 DA 19 26.958 22.126 32.263 215 H61 DA 19 H61 DA 19 21.378 24.381 30.734 216 H62 DA 19 H62 DA 19 22.702 23.361 30.194 217 H2 DA 19 H2 DA 19 21.931 25.108 35.000 218 H5' DC 20 H5' DC 20 26.676 22.560 38.725 219 H5'' DC 20 H5'' DC 20 26.574 21.522 40.148 220 H4' DC 20 H4' DC 20 24.427 22.585 39.562 221 H3' DC 20 H3' DC 20 24.735 19.869 40.191 222 H2' DC 20 H2' DC 20 24.364 19.098 38.009 223 H2'' DC 20 H2'' DC 20 22.666 19.151 38.558 224 H1' DC 20 H1' DC 20 22.337 21.359 37.698 225 H41 DC 20 H41 DC 20 22.601 20.527 31.425 226 H42 DC 20 H42 DC 20 24.171 19.757 31.520 227 H5 DC 20 H5 DC 20 25.280 19.274 33.594 228 H6 DC 20 H6 DC 20 25.149 19.533 36.018 229 H5' DA 21 H5' DA 21 20.174 20.739 40.039 230 H5'' DA 21 H5'' DA 21 19.274 19.750 41.189 231 H4' DA 21 H4' DA 21 18.396 19.570 38.946 232 H3' DA 21 H3' DA 21 19.231 17.182 40.342 233 H2' DA 21 H2' DA 21 20.438 16.394 38.551 234 H2'' DA 21 H2'' DA 21 18.851 16.061 37.796 235 H1' DA 21 H1' DA 21 18.809 18.187 36.687 236 H8 DA 21 H8 DA 21 22.449 16.949 37.450 237 H61 DA 21 H61 DA 21 22.964 17.204 31.197 238 H62 DA 21 H62 DA 21 23.829 16.683 32.648 239 H2 DA 21 H2 DA 21 19.085 18.695 32.236 240 H5' DT 22 H5' DT 22 15.086 17.056 37.522 241 H5'' DT 22 H5'' DT 22 14.194 15.621 38.033 242 H4' DT 22 H4' DT 22 14.187 15.845 35.606 243 H3' DT 22 H3' DT 22 15.931 13.563 36.608 244 H2' DT 22 H2' DT 22 16.301 13.013 34.339 245 H2'' DT 22 H2'' DT 22 14.819 13.846 33.799 246 H1' DT 22 H1' DT 22 15.947 15.691 33.376 247 H3 DT 22 H3 DT 22 19.947 14.839 31.484 248 H71 DT 22 H71 DT 22 20.406 14.017 36.855 249 H72 DT 22 H72 DT 22 21.115 12.781 35.779 250 H73 DT 22 H73 DT 22 21.832 14.392 35.859 251 H6 DT 22 H6 DT 22 18.298 14.486 35.998 252 H5' DC 23 H5' DC 23 13.038 12.538 33.631 253 H5'' DC 23 H5'' DC 23 12.335 10.928 33.711 254 H4' DC 23 H4' DC 23 13.288 11.562 31.487 255 H3' DC 23 H3' DC 23 13.531 9.054 32.776 256 H2' DC 23 H2' DC 23 15.825 9.277 33.173 257 H2'' DC 23 H2'' DC 23 15.917 8.578 31.534 258 H1' DC 23 H1' DC 23 15.977 10.751 30.499 259 H41 DC 23 H41 DC 23 21.861 10.979 33.511 260 H42 DC 23 H42 DC 23 22.063 11.243 31.776 261 H5 DC 23 H5 DC 23 19.653 10.821 34.530 262 H6 DC 23 H6 DC 23 17.253 10.759 34.047 263 H5' DG 24 H5' DG 24 14.975 9.597 28.415 264 H5'' DG 24 H5'' DG 24 14.283 8.336 27.389 265 H4' DG 24 H4' DG 24 16.472 8.889 26.576 266 H3' DG 24 H3' DG 24 15.777 6.230 27.235 267 HO3' DG 24 HO3' DG 24 17.387 5.732 25.662 268 H2' DG 24 H2' DG 24 17.168 6.222 29.182 269 H2'' DG 24 H2'' DG 24 18.325 5.605 27.951 270 H1' DG 24 H1' DG 24 19.073 7.865 27.448 271 H8 DG 24 H8 DG 24 18.026 7.572 31.218 272 H1 DG 24 H1 DG 24 24.336 8.129 29.926 273 H21 DG 24 H21 DG 24 24.589 8.055 27.752 274 H22 DG 24 H22 DG 24 23.196 8.087 26.660 275 H85 9U2 100 H85 PA7 25 12.240 23.110 37.034 276 H83 9U2 100 H83 PA7 25 15.969 22.054 33.720 277 H882 9U2 100 H882 PA7 25 11.740 25.323 37.992 278 H883 9U2 100 H883 PA7 25 12.175 25.364 36.286 279 H881 9U2 100 H881 PA7 25 13.333 25.913 37.506 280 H992 9U2 100 H992 PA7 25 12.418 23.525 39.463 281 H993 9U2 100 H993 PA7 25 14.175 23.626 39.330 282 H991 9U2 100 H991 PA7 25 13.333 22.140 38.887 283 H PYB 101 HN7 PA7 25 17.805 24.883 36.227 284 HB1 PYB 101 H73 PA7 25 20.063 26.319 36.554 285 HB PYB 101 H75 PA7 25 17.142 26.362 39.771 286 HD1 PYB 101 H771 PA7 25 19.383 29.029 40.682 287 HD2 PYB 101 H772 PA7 25 18.089 27.965 41.280 288 HD3 PYB 101 H773 PA7 25 19.797 27.506 41.528 289 H PYB 102 HN6 PA7 25 21.820 27.837 36.816 290 HB1 PYB 102 H63 PA7 25 24.008 29.079 35.715 291 HB PYB 102 H65 PA7 25 24.189 27.963 39.898 292 HD1 PYB 102 H661 PA7 25 26.897 29.997 39.809 293 HD2 PYB 102 H662 PA7 25 27.666 28.547 39.085 294 HD3 PYB 102 H663 PA7 25 26.506 28.360 40.423 295 H PYB 103 HN5 PA7 25 25.549 30.387 35.026 296 HB1 PYB 103 H53 PA7 25 26.000 31.954 33.014 297 HB PYB 103 H55 PA7 25 29.448 30.773 35.357 298 HD1 PYB 103 H551 PA7 25 30.785 33.372 33.334 299 HD2 PYB 103 H552 PA7 25 30.990 31.886 32.360 300 HD3 PYB 103 H553 PA7 25 31.272 31.847 34.122 301 H ABU 104 HN9 PA7 25 26.268 33.152 31.486 302 HA1 ABU 104 H942 PA7 25 26.163 34.580 29.525 303 HA2 ABU 104 H943 PA7 25 27.791 34.068 29.038 304 HB1 ABU 104 H931 PA7 25 25.616 33.079 27.873 305 HB2 ABU 104 H932 PA7 25 25.500 32.042 29.275 306 HG1 ABU 104 H921 PA7 25 27.695 32.178 27.135 307 HG2 ABU 104 H922 PA7 25 26.601 30.861 27.491 308 H IMT 105 HN4 PA7 25 26.855 30.097 29.911 309 HB IMT 105 H44 PA7 25 30.686 30.061 30.313 310 HD1 IMT 105 H441 PA7 25 31.767 27.647 32.808 311 HD2 IMT 105 H442 PA7 25 32.349 28.996 31.796 312 HD3 IMT 105 H443 PA7 25 31.841 29.305 33.481 313 H PYB 106 HN3 PA7 25 27.046 27.525 33.787 314 HB1 PYB 106 H33 PA7 25 25.347 26.284 35.416 315 HB PYB 106 H35 PA7 25 29.371 26.980 36.892 316 HD1 PYB 106 H331 PA7 25 27.920 26.173 39.855 317 HD2 PYB 106 H332 PA7 25 28.038 24.514 39.189 318 HD3 PYB 106 H333 PA7 25 29.365 25.672 38.932 319 H PYB 107 HN2 PA7 25 24.055 24.947 36.669 320 HB1 PYB 107 H23 PA7 25 21.694 23.632 36.804 321 HB PYB 107 H25 PA7 25 23.240 25.403 40.445 322 HD1 PYB 107 H221 PA7 25 20.620 23.572 41.767 323 HD2 PYB 107 H222 PA7 25 21.348 25.195 41.945 324 HD3 PYB 107 H223 PA7 25 19.747 25.022 41.184 325 H PYB 108 HN1 PA7 25 20.029 22.330 37.015 326 HB1 PYB 108 H13 PA7 25 18.755 20.559 35.561 327 HB PYB 108 H15 PA7 25 16.726 21.980 39.120 328 HD1 PYB 108 H111 PA7 25 14.072 20.321 37.557 329 HD2 PYB 108 H112 PA7 25 14.992 18.961 38.268 330 HD3 PYB 108 H113 PA7 25 14.807 20.466 39.185 331 H006 9T8 109 H006 PA7 25 10.671 18.161 27.077 332 H004 9T8 109 H004 PA7 25 11.094 19.208 25.693 333 H005 9T8 109 H005 PA7 25 11.530 19.701 27.352 334 HN02 9T8 109 HN02 PA7 25 16.655 18.097 29.985 335 H031 9T8 109 H031 PA7 25 12.434 17.092 28.381 336 H032 9T8 109 H032 PA7 25 13.346 18.595 28.524 337 H052 9T8 109 H052 PA7 25 15.959 16.033 29.325 338 H051 9T8 109 H051 PA7 25 14.366 16.318 30.030 339 H072 9T8 109 H072 PA7 25 15.178 20.278 32.318 340 H071 9T8 109 H071 PA7 25 16.653 19.933 31.407 341 H042 9T8 109 H042 PA7 25 15.265 17.372 27.277 342 H041 9T8 109 H041 PA7 25 14.359 15.894 27.534 343 HN01 9T8 109 HN01 PA7 25 13.451 18.804 26.103 344 H001 9T8 109 H001 PA7 25 12.226 17.288 24.624 345 H002 9T8 109 H002 PA7 25 11.847 16.240 26.020 346 H003 9T8 109 H003 PA7 25 13.536 16.426 25.468 347 H1 9T8 109 HN03 PA7 25 17.719 19.462 34.216 348 H081 9T8 109 H081 PA7 25 16.999 17.822 32.598 349 H082 9T8 109 H082 PA7 25 15.369 17.867 33.281 Start of MODEL 2 1 H5 DCZ 1 H5 DC 1 27.359 11.158 31.513 2 H6 DCZ 1 H6 DC 1 28.814 10.231 29.768 3 HN41 DCZ 1 H41 DC 1 23.818 10.213 31.608 4 HN42 DCZ 1 H42 DC 1 25.081 11.190 32.347 5 H1' DCZ 1 H1' DC 1 27.749 7.527 27.493 6 H2'1 DCZ 1 H2' DC 1 27.006 10.205 26.837 7 H2'2 DCZ 1 H2'' DC 1 27.553 8.928 25.728 8 H3' DCZ 1 H3' DC 1 29.164 11.111 27.091 9 H4' DCZ 1 H4' DC 1 30.262 8.446 26.137 10 H5'1 DCZ 1 H5' DC 1 32.130 8.914 27.633 11 H5'2 DCZ 1 H5'' DC 1 31.949 10.210 26.461 12 HO51 DCZ 1 HO5' DC 1 31.206 11.586 28.053 13 H5' DG 2 H5' DG 2 26.757 9.691 23.514 14 H5'' DG 2 H5'' DG 2 27.262 10.845 22.281 15 H4' DG 2 H4' DG 2 24.981 10.387 21.906 16 H3' DG 2 H3' DG 2 25.888 12.976 22.234 17 H2' DG 2 H2' DG 2 25.081 13.364 24.380 18 H2'' DG 2 H2'' DG 2 23.594 13.793 23.496 19 H1' DG 2 H1' DG 2 22.559 11.757 23.936 20 H8 DG 2 H8 DG 2 25.697 11.986 26.242 21 H1 DG 2 H1 DG 2 20.061 11.331 29.304 22 H21 DG 2 H21 DG 2 18.782 11.436 26.103 23 H22 DG 2 H22 DG 2 18.429 11.362 27.828 24 H5' DA 3 H5' DA 3 21.277 13.173 20.979 25 H5'' DA 3 H5'' DA 3 20.979 14.633 20.027 26 H4' DA 3 H4' DA 3 19.353 14.402 21.859 27 H3' DA 3 H3' DA 3 21.286 16.711 22.054 28 H2' DA 3 H2' DA 3 20.745 17.081 24.233 29 H2'' DA 3 H2'' DA 3 19.017 16.723 23.965 30 H1' DA 3 H1' DA 3 19.156 14.597 24.560 31 H8 DA 3 H8 DA 3 22.977 15.280 24.899 32 H61 DA 3 H61 DA 3 21.729 14.543 31.001 33 H62 DA 3 H62 DA 3 23.052 14.724 29.847 34 H2 DA 3 H2 DA 3 17.963 14.558 28.884 35 H5' DT 4 H5' DT 4 16.760 17.721 22.857 36 H5'' DT 4 H5'' DT 4 16.466 19.451 22.666 37 H4' DT 4 H4' DT 4 15.624 18.610 24.801 38 H3' DT 4 H3' DT 4 18.071 20.363 25.177 39 H2' DT 4 H2' DT 4 17.458 20.358 27.495 40 H2'' DT 4 H2'' DT 4 15.858 19.675 27.163 41 H1' DT 4 H1' DT 4 16.837 17.649 27.457 42 H3 DT 4 H3 DT 4 20.352 17.855 30.251 43 H71 DT 4 H71 DT 4 22.934 19.624 26.595 44 H72 DT 4 H72 DT 4 23.085 17.897 26.254 45 H73 DT 4 H73 DT 4 22.096 18.927 25.190 46 H6 DT 4 H6 DT 4 19.808 18.752 25.550 47 H5' DG 5 H5' DG 5 13.838 20.491 28.007 48 H5'' DG 5 H5'' DG 5 12.716 21.648 27.291 49 H4' DG 5 H4' DG 5 12.684 21.852 29.649 50 H3' DG 5 H3' DG 5 12.953 24.048 28.026 51 H2' DG 5 H2' DG 5 15.239 24.396 28.221 52 H2'' DG 5 H2'' DG 5 14.771 25.307 29.674 53 H1' DG 5 H1' DG 5 15.390 23.624 31.120 54 H8 DG 5 H8 DG 5 16.940 23.115 27.572 55 H1 DG 5 H1 DG 5 20.566 21.214 32.555 56 H21 DG 5 H21 DG 5 19.612 21.903 34.415 57 H22 DG 5 H22 DG 5 18.044 22.703 34.366 58 H5' DT 6 H5' DT 6 12.509 24.498 32.713 59 H5'' DT 6 H5'' DT 6 11.688 25.985 33.211 60 H4' DT 6 H4' DT 6 13.568 25.386 34.703 61 H3' DT 6 H3' DT 6 13.652 27.952 33.156 62 H2' DT 6 H2' DT 6 15.888 28.227 33.478 63 H2'' DT 6 H2'' DT 6 15.790 27.694 35.177 64 H1' DT 6 H1' DT 6 16.301 25.610 34.766 65 H3 DT 6 H3 DT 6 20.221 24.856 32.749 66 H71 DT 6 H71 DT 6 18.604 27.277 28.942 67 H72 DT 6 H72 DT 6 17.776 25.756 28.583 68 H73 DT 6 H73 DT 6 16.842 27.171 29.127 69 H6 DT 6 H6 DT 6 16.108 26.934 31.300 70 H5' DA 7 H5' DA 7 14.911 27.935 37.443 71 H5'' DA 7 H5'' DA 7 14.495 29.394 38.343 72 H4' DA 7 H4' DA 7 16.788 28.739 38.750 73 H3' DA 7 H3' DA 7 16.047 31.352 37.935 74 H2' DA 7 H2' DA 7 17.133 31.237 35.907 75 H2'' DA 7 H2'' DA 7 18.537 31.737 36.868 76 H1' DA 7 H1' DA 7 19.308 29.458 37.126 77 H8 DA 7 H8 DA 7 17.113 30.207 34.005 78 H61 DA 7 H61 DA 7 21.585 27.435 30.742 79 H62 DA 7 H62 DA 7 20.144 28.441 30.632 80 H2 DA 7 H2 DA 7 22.763 27.209 34.920 81 H5' DC 8 H5' DC 8 20.022 30.119 39.396 82 H5'' DC 8 H5'' DC 8 20.691 31.091 40.707 83 H4' DC 8 H4' DC 8 22.475 30.203 39.366 84 H3' DC 8 H3' DC 8 22.132 33.024 39.720 85 H2' DC 8 H2' DC 8 21.989 33.502 37.475 86 H2'' DC 8 H2'' DC 8 23.762 33.306 37.512 87 H1' DC 8 H1' DC 8 23.661 31.034 36.839 88 H41 DC 8 H41 DC 8 21.218 31.455 30.960 89 H42 DC 8 H42 DC 8 19.793 32.245 31.577 90 H5 DC 8 H5 DC 8 19.427 32.782 33.885 91 H6 DC 8 H6 DC 8 20.403 32.696 36.111 92 H5' DA 9 H5' DA 9 26.379 31.823 38.560 93 H5'' DA 9 H5'' DA 9 27.644 32.873 39.194 94 H4' DA 9 H4' DA 9 27.843 32.495 36.796 95 H3' DA 9 H3' DA 9 27.975 35.040 37.994 96 H2' DA 9 H2' DA 9 25.959 35.766 37.065 97 H2'' DA 9 H2'' DA 9 27.030 36.232 35.715 98 H1' DA 9 H1' DA 9 26.644 34.126 34.571 99 H8 DA 9 H8 DA 9 23.744 35.531 36.780 100 H61 DA 9 H61 DA 9 20.502 35.231 31.433 101 H62 DA 9 H62 DA 9 20.395 35.784 33.103 102 H2 DA 9 H2 DA 9 24.359 33.501 30.696 103 H5' DT 10 H5' DT 10 29.106 34.559 33.518 104 H5'' DT 10 H5'' DT 10 30.593 35.442 33.179 105 H4' DT 10 H4' DT 10 29.325 35.676 31.250 106 H3' DT 10 H3' DT 10 28.746 38.163 32.905 107 H2' DT 10 H2' DT 10 27.623 38.935 30.956 108 H2'' DT 10 H2'' DT 10 28.502 37.811 29.894 109 H1' DT 10 H1' DT 10 26.887 36.285 30.142 110 H3 DT 10 H3 DT 10 22.737 37.949 30.094 111 H71 DT 10 H71 DT 10 22.851 38.079 34.864 112 H72 DT 10 H72 DT 10 24.591 38.151 35.216 113 H73 DT 10 H73 DT 10 23.722 39.588 34.626 114 H6 DT 10 H6 DT 10 26.108 37.604 33.523 115 H5' DC 11 H5' DC 11 30.482 39.327 29.216 116 H5'' DC 11 H5'' DC 11 31.576 40.711 29.324 117 H4' DC 11 H4' DC 11 29.822 41.095 27.659 118 H3' DC 11 H3' DC 11 30.461 42.988 29.625 119 H2' DC 11 H2' DC 11 28.595 42.454 30.974 120 H2'' DC 11 H2'' DC 11 27.921 43.795 30.002 121 H1' DC 11 H1' DC 11 27.111 42.267 28.292 122 H41 DC 11 H41 DC 11 22.703 41.421 32.976 123 H42 DC 11 H42 DC 11 21.895 41.474 31.402 124 H5 DC 11 H5 DC 11 25.113 41.163 33.160 125 H6 DC 11 H6 DC 11 27.191 41.174 31.890 126 H5' DG 12 H5' DG 12 29.944 42.821 25.317 127 H5'' DG 12 H5'' DG 12 30.395 43.998 24.085 128 H4' DG 12 H4' DG 12 28.245 43.018 23.555 129 H3' DG 12 H3' DG 12 28.645 45.792 23.636 130 HO3' DG 12 HO3' DG 12 26.818 45.828 22.225 131 H2' DG 12 H2' DG 12 27.490 46.055 25.712 132 H2'' DG 12 H2'' DG 12 26.148 46.327 24.554 133 H1' DG 12 H1' DG 12 25.534 43.987 24.604 134 H8 DG 12 H8 DG 12 27.181 45.028 27.994 135 H1 DG 12 H1 DG 12 20.791 44.055 28.068 136 H21 DG 12 H21 DG 12 20.118 43.599 26.003 137 H22 DG 12 H22 DG 12 21.299 43.417 24.708 138 H5 DCZ 13 H5 DC 13 16.894 44.082 31.398 139 H6 DCZ 13 H6 DC 13 15.188 43.836 29.662 140 HN41 DCZ 13 H41 DC 13 20.452 44.328 30.480 141 HN42 DCZ 13 H42 DC 13 19.261 44.348 31.788 142 H1' DCZ 13 H1' DC 13 15.926 44.419 26.134 143 H2'1 DCZ 13 H2' DC 13 15.304 41.716 27.342 144 H2'2 DCZ 13 H2'' DC 13 16.080 42.086 25.787 145 H3' DCZ 13 H3' DC 13 13.408 41.617 25.834 146 H4' DCZ 13 H4' DC 13 12.540 44.148 26.344 147 H5'1 DCZ 13 H5' DC 13 12.084 43.491 28.673 148 H5'2 DCZ 13 H5'' DC 13 11.700 42.197 27.532 149 HO51 DCZ 13 HO5' DC 13 12.829 41.537 29.546 150 H5' DG 14 H5' DG 14 16.744 41.625 22.265 151 H5'' DG 14 H5'' DG 14 15.549 40.438 21.699 152 H4' DG 14 H4' DG 14 17.573 39.255 22.328 153 H3' DG 14 H3' DG 14 14.994 38.694 23.449 154 H2' DG 14 H2' DG 14 15.612 39.419 25.561 155 H2'' DG 14 H2'' DG 14 16.115 37.705 25.692 156 H1' DG 14 H1' DG 14 18.393 38.285 24.950 157 H8 DG 14 H8 DG 14 16.255 39.592 27.673 158 H1 DG 14 H1 DG 14 22.439 41.036 28.709 159 H21 DG 14 H21 DG 14 22.854 40.006 25.446 160 H22 DG 14 H22 DG 14 23.605 40.658 26.905 161 H5' DA 15 H5' DA 15 18.312 36.992 20.823 162 H5'' DA 15 H5'' DA 15 18.513 35.397 20.103 163 H4' DA 15 H4' DA 15 20.275 35.717 21.680 164 H3' DA 15 H3' DA 15 18.141 33.780 22.617 165 H2' DA 15 H2' DA 15 19.135 33.622 24.646 166 H2'' DA 15 H2'' DA 15 20.781 33.729 23.978 167 H1' DA 15 H1' DA 15 20.948 35.922 24.190 168 H8 DA 15 H8 DA 15 17.305 35.534 25.590 169 H61 DA 15 H61 DA 15 20.171 37.710 30.779 170 H62 DA 15 H62 DA 15 18.573 37.237 30.190 171 H2 DA 15 H2 DA 15 23.129 37.242 27.723 172 H5' DT 16 H5' DT 16 22.512 33.100 21.886 173 H5'' DT 16 H5'' DT 16 23.104 31.451 21.668 174 H4' DT 16 H4' DT 16 24.609 32.787 23.068 175 H3' DT 16 H3' DT 16 23.194 30.476 24.414 176 H2' DT 16 H2' DT 16 24.251 31.045 26.453 177 H2'' DT 16 H2'' DT 16 25.570 31.903 25.629 178 H1' DT 16 H1' DT 16 24.461 33.824 26.017 179 H3 DT 16 H3 DT 16 21.950 34.131 29.727 180 H71 DT 16 H71 DT 16 18.274 32.680 26.903 181 H72 DT 16 H72 DT 16 19.086 31.397 25.973 182 H73 DT 16 H73 DT 16 18.748 31.178 27.706 183 H6 DT 16 H6 DT 16 21.296 31.917 25.500 184 H5' DG 17 H5' DG 17 27.478 29.667 24.793 185 H5'' DG 17 H5'' DG 17 27.956 28.364 23.702 186 H4' DG 17 H4' DG 17 29.083 28.069 25.749 187 H3' DG 17 H3' DG 17 27.607 25.991 24.702 188 H2' DG 17 H2' DG 17 25.744 26.048 26.007 189 H2'' DG 17 H2'' DG 17 26.711 25.200 27.211 190 H1' DG 17 H1' DG 17 26.919 27.025 28.551 191 H8 DG 17 H8 DG 17 24.243 27.626 25.794 192 H1 DG 17 H1 DG 17 23.005 30.388 31.491 193 H21 DG 17 H21 DG 17 24.632 29.878 32.894 194 H22 DG 17 H22 DG 17 26.048 28.989 32.329 195 H5' DT 18 H5' DT 18 30.005 26.425 28.383 196 H5'' DT 18 H5'' DT 18 31.130 25.120 28.764 197 H4' DT 18 H4' DT 18 30.507 26.428 30.735 198 H3' DT 18 H3' DT 18 30.474 23.625 30.617 199 H2' DT 18 H2' DT 18 28.164 23.352 30.712 200 H2'' DT 18 H2'' DT 18 28.446 23.519 32.469 201 H1' DT 18 H1' DT 18 27.963 25.813 32.477 202 H3 DT 18 H3 DT 18 23.588 26.798 32.084 203 H71 DT 18 H71 DT 18 23.916 25.166 27.504 204 H72 DT 18 H72 DT 18 24.938 23.730 27.783 205 H73 DT 18 H73 DT 18 23.283 23.801 28.417 206 H6 DT 18 H6 DT 18 26.603 24.170 29.376 207 H5' DA 19 H5' DA 19 30.056 24.693 35.197 208 H5'' DA 19 H5'' DA 19 30.832 23.425 36.147 209 H4' DA 19 H4' DA 19 28.547 23.809 36.841 210 H3' DA 19 H3' DA 19 29.344 21.145 35.946 211 H2' DA 19 H2' DA 19 27.477 20.873 34.667 212 H2'' DA 19 H2'' DA 19 26.568 20.757 36.186 213 H1' DA 19 H1' DA 19 26.029 23.089 36.198 214 H8 DA 19 H8 DA 19 26.931 21.761 32.651 215 H61 DA 19 H61 DA 19 21.402 24.024 30.996 216 H62 DA 19 H62 DA 19 22.740 23.007 30.483 217 H2 DA 19 H2 DA 19 21.859 24.795 35.255 218 H5' DC 20 H5' DC 20 26.239 22.311 38.982 219 H5'' DC 20 H5'' DC 20 26.043 21.287 40.405 220 H4' DC 20 H4' DC 20 23.909 22.181 39.613 221 H3' DC 20 H3' DC 20 24.378 19.418 40.113 222 H2' DC 20 H2' DC 20 24.009 18.765 37.909 223 H2'' DC 20 H2'' DC 20 22.297 18.809 38.425 224 H1' DC 20 H1' DC 20 22.037 21.084 37.703 225 H41 DC 20 H41 DC 20 22.161 20.354 31.410 226 H42 DC 20 H42 DC 20 23.771 19.673 31.461 227 H5 DC 20 H5 DC 20 24.911 19.119 33.494 228 H6 DC 20 H6 DC 20 24.843 19.344 35.928 229 H5' DA 21 H5' DA 21 19.771 20.305 40.112 230 H5'' DA 21 H5'' DA 21 18.889 19.228 41.188 231 H4' DA 21 H4' DA 21 17.979 19.315 38.913 232 H3' DA 21 H3' DA 21 18.634 16.797 40.178 233 H2' DA 21 H2' DA 21 19.808 16.022 38.357 234 H2'' DA 21 H2'' DA 21 18.220 15.841 37.573 235 H1' DA 21 H1' DA 21 18.329 18.023 36.585 236 H8 DA 21 H8 DA 21 21.939 16.673 37.334 237 H61 DA 21 H61 DA 21 22.503 17.144 31.104 238 H62 DA 21 H62 DA 21 23.336 16.548 32.545 239 H2 DA 21 H2 DA 21 18.615 18.625 32.166 240 H5' DT 22 H5' DT 22 14.648 17.153 37.311 241 H5'' DT 22 H5'' DT 22 13.560 15.818 37.696 242 H4' DT 22 H4' DT 22 13.718 16.215 35.273 243 H3' DT 22 H3' DT 22 14.898 13.616 36.299 244 H2' DT 22 H2' DT 22 15.560 13.077 34.145 245 H2'' DT 22 H2'' DT 22 14.237 13.996 33.390 246 H1' DT 22 H1' DT 22 15.431 15.806 33.146 247 H3 DT 22 H3 DT 22 19.391 14.855 31.230 248 H71 DT 22 H71 DT 22 19.932 12.681 35.938 249 H72 DT 22 H72 DT 22 21.288 13.655 35.343 250 H73 DT 22 H73 DT 22 20.119 14.376 36.455 251 H6 DT 22 H6 DT 22 17.659 14.260 35.686 252 H5' DC 23 H5' DC 23 12.239 13.188 32.862 253 H5'' DC 23 H5'' DC 23 11.312 11.693 32.827 254 H4' DC 23 H4' DC 23 12.515 12.156 30.723 255 H3' DC 23 H3' DC 23 12.461 9.648 32.042 256 H2' DC 23 H2' DC 23 14.716 9.704 32.604 257 H2'' DC 23 H2'' DC 23 14.885 8.975 30.989 258 H1' DC 23 H1' DC 23 15.198 11.124 29.938 259 H41 DC 23 H41 DC 23 20.840 10.889 33.374 260 H42 DC 23 H42 DC 23 21.188 11.251 31.679 261 H5 DC 23 H5 DC 23 18.562 10.817 34.213 262 H6 DC 23 H6 DC 23 16.212 10.934 33.557 263 H5' DG 24 H5' DG 24 14.227 10.301 27.865 264 H5'' DG 24 H5'' DG 24 13.556 9.146 26.710 265 H4' DG 24 H4' DG 24 15.823 9.748 26.087 266 H3' DG 24 H3' DG 24 14.970 7.061 26.348 267 HO3' DG 24 HO3' DG 24 16.714 6.691 24.841 268 H2' DG 24 H2' DG 24 16.256 6.686 28.322 269 H2'' DG 24 H2'' DG 24 17.466 6.232 27.073 270 H1' DG 24 H1' DG 24 18.331 8.491 26.995 271 H8 DG 24 H8 DG 24 16.914 7.996 30.614 272 H1 DG 24 H1 DG 24 23.337 8.103 29.925 273 H21 DG 24 H21 DG 24 23.798 8.090 27.747 274 H22 DG 24 H22 DG 24 22.490 8.234 26.567 275 H85 9U2 100 H85 PA7 25 12.037 23.156 36.974 276 H83 9U2 100 H83 PA7 25 15.772 22.165 33.639 277 H882 9U2 100 H882 PA7 25 12.163 25.464 36.370 278 H883 9U2 100 H883 PA7 25 13.264 25.844 37.704 279 H881 9U2 100 H881 PA7 25 11.614 25.310 38.035 280 H992 9U2 100 H992 PA7 25 12.367 23.624 39.512 281 H993 9U2 100 H993 PA7 25 14.051 23.153 39.225 282 H991 9U2 100 H991 PA7 25 12.732 22.048 38.830 283 H PYB 101 HN7 PA7 25 17.650 24.794 36.349 284 HB1 PYB 101 H73 PA7 25 19.921 26.140 36.800 285 HB PYB 101 H75 PA7 25 16.916 26.150 39.940 286 HD1 PYB 101 H771 PA7 25 19.248 28.701 41.023 287 HD2 PYB 101 H772 PA7 25 17.873 27.686 41.535 288 HD3 PYB 101 H773 PA7 25 19.547 27.113 41.805 289 H PYB 102 HN6 PA7 25 21.677 27.581 37.140 290 HB1 PYB 102 H63 PA7 25 23.911 28.746 36.079 291 HB PYB 102 H65 PA7 25 23.977 27.681 40.282 292 HD1 PYB 102 H661 PA7 25 26.757 29.679 40.178 293 HD2 PYB 102 H662 PA7 25 27.453 28.147 39.547 294 HD3 PYB 102 H663 PA7 25 26.263 28.104 40.877 295 H PYB 103 HN5 PA7 25 25.480 30.049 35.413 296 HB1 PYB 103 H53 PA7 25 26.036 31.581 33.371 297 HB PYB 103 H55 PA7 25 29.361 30.362 35.868 298 HD1 PYB 103 H551 PA7 25 31.235 31.449 34.754 299 HD2 PYB 103 H552 PA7 25 30.828 32.914 33.816 300 HD3 PYB 103 H553 PA7 25 31.064 31.349 32.977 301 H ABU 104 HN9 PA7 25 26.389 32.728 31.815 302 HA1 ABU 104 H942 PA7 25 26.407 34.149 29.843 303 HA2 ABU 104 H943 PA7 25 28.049 33.612 29.445 304 HB1 ABU 104 H931 PA7 25 25.917 32.636 28.178 305 HB2 ABU 104 H932 PA7 25 25.731 31.608 29.580 306 HG1 ABU 104 H921 PA7 25 28.035 31.733 27.557 307 HG2 ABU 104 H922 PA7 25 26.917 30.419 27.845 308 H IMT 105 HN4 PA7 25 27.036 29.641 30.286 309 HB IMT 105 H44 PA7 25 30.850 29.568 30.850 310 HD1 IMT 105 H441 PA7 25 32.442 28.576 32.473 311 HD2 IMT 105 H442 PA7 25 31.823 28.840 34.125 312 HD3 IMT 105 H443 PA7 25 31.805 27.199 33.410 313 H PYB 106 HN3 PA7 25 27.036 27.187 34.199 314 HB1 PYB 106 H33 PA7 25 25.253 25.944 35.719 315 HB PYB 106 H35 PA7 25 29.179 26.675 37.428 316 HD1 PYB 106 H331 PA7 25 27.797 24.142 39.568 317 HD2 PYB 106 H332 PA7 25 29.065 25.394 39.472 318 HD3 PYB 106 H333 PA7 25 27.523 25.755 40.304 319 H PYB 107 HN2 PA7 25 23.894 24.590 36.897 320 HB1 PYB 107 H23 PA7 25 21.488 23.308 36.933 321 HB PYB 107 H25 PA7 25 22.943 25.037 40.634 322 HD1 PYB 107 H221 PA7 25 20.358 23.115 41.858 323 HD2 PYB 107 H222 PA7 25 21.070 24.738 42.105 324 HD3 PYB 107 H223 PA7 25 19.463 24.585 41.344 325 H PYB 108 HN1 PA7 25 19.751 22.050 37.054 326 HB1 PYB 108 H13 PA7 25 18.385 20.393 35.524 327 HB PYB 108 H15 PA7 25 16.436 21.775 39.140 328 HD1 PYB 108 H111 PA7 25 13.693 20.318 37.405 329 HD2 PYB 108 H112 PA7 25 14.505 18.987 38.294 330 HD3 PYB 108 H113 PA7 25 14.339 20.580 39.051 331 H006 9T8 109 H006 PA7 25 11.040 20.128 27.526 332 H004 9T8 109 H004 PA7 25 10.059 18.697 27.106 333 H005 9T8 109 H005 PA7 25 10.511 19.878 25.838 334 HN02 9T8 109 HN02 PA7 25 16.150 18.099 29.826 335 H031 9T8 109 H031 PA7 25 11.838 17.360 28.216 336 H032 9T8 109 H032 PA7 25 12.753 18.838 28.487 337 H052 9T8 109 H052 PA7 25 15.320 16.140 28.982 338 H051 9T8 109 H051 PA7 25 13.758 16.447 29.739 339 H072 9T8 109 H072 PA7 25 14.801 20.305 32.216 340 H071 9T8 109 H071 PA7 25 16.255 19.873 31.313 341 H042 9T8 109 H042 PA7 25 14.656 17.772 27.109 342 H041 9T8 109 H041 PA7 25 13.754 16.275 27.184 343 HN01 9T8 109 HN01 PA7 25 12.843 19.229 26.050 344 H001 9T8 109 H001 PA7 25 12.698 16.904 25.247 345 H002 9T8 109 H002 PA7 25 11.436 17.938 24.536 346 H003 9T8 109 H003 PA7 25 11.025 16.818 25.865 347 H1 9T8 109 HN03 PA7 25 17.300 19.345 34.152 348 H081 9T8 109 H081 PA7 25 16.491 17.763 32.532 349 H082 9T8 109 H082 PA7 25 14.860 17.905 33.207 Start of MODEL 3 1 H5 DCZ 1 H5 DC 1 27.537 10.807 31.860 2 H6 DCZ 1 H6 DC 1 28.826 10.156 29.867 3 HN41 DCZ 1 H41 DC 1 24.156 9.395 32.353 4 HN42 DCZ 1 H42 DC 1 25.383 10.488 33.014 5 H1' DCZ 1 H1' DC 1 27.556 7.633 27.432 6 H2'1 DCZ 1 H2' DC 1 27.226 10.515 27.257 7 H2'2 DCZ 1 H2'' DC 1 27.273 9.291 25.957 8 H3' DCZ 1 H3' DC 1 29.479 10.983 27.124 9 H4' DCZ 1 H4' DC 1 29.947 8.179 26.062 10 H5'1 DCZ 1 H5' DC 1 31.991 8.223 27.367 11 H5'2 DCZ 1 H5'' DC 1 31.967 9.594 26.260 12 HO51 DCZ 1 HO5' DC 1 31.518 10.982 28.012 13 H5' DG 2 H5' DG 2 26.943 9.526 23.552 14 H5'' DG 2 H5'' DG 2 27.321 10.692 22.287 15 H4' DG 2 H4' DG 2 25.080 9.929 21.985 16 H3' DG 2 H3' DG 2 25.719 12.591 22.009 17 H2' DG 2 H2' DG 2 25.054 13.054 24.215 18 H2'' DG 2 H2'' DG 2 23.510 13.391 23.393 19 H1' DG 2 H1' DG 2 22.591 11.307 23.951 20 H8 DG 2 H8 DG 2 25.757 11.762 26.165 21 H1 DG 2 H1 DG 2 20.214 11.286 29.410 22 H21 DG 2 H21 DG 2 18.834 11.161 26.247 23 H22 DG 2 H22 DG 2 18.549 11.164 27.991 24 H5' DA 3 H5' DA 3 20.997 12.878 21.108 25 H5'' DA 3 H5'' DA 3 20.789 14.340 20.135 26 H4' DA 3 H4' DA 3 19.424 14.471 22.136 27 H3' DA 3 H3' DA 3 21.814 16.328 22.176 28 H2' DA 3 H2' DA 3 21.414 16.830 24.358 29 H2'' DA 3 H2'' DA 3 19.645 16.778 24.160 30 H1' DA 3 H1' DA 3 19.414 14.656 24.722 31 H8 DA 3 H8 DA 3 23.296 14.890 25.077 32 H61 DA 3 H61 DA 3 21.930 14.516 31.174 33 H62 DA 3 H62 DA 3 23.271 14.605 30.029 34 H2 DA 3 H2 DA 3 18.190 14.624 29.008 35 H5' DT 4 H5' DT 4 17.508 17.763 22.850 36 H5'' DT 4 H5'' DT 4 17.227 19.497 22.683 37 H4' DT 4 H4' DT 4 16.165 18.559 24.686 38 H3' DT 4 H3' DT 4 18.487 20.391 25.343 39 H2' DT 4 H2' DT 4 17.670 20.268 27.621 40 H2'' DT 4 H2'' DT 4 16.160 19.503 27.117 41 H1' DT 4 H1' DT 4 17.258 17.548 27.480 42 H3 DT 4 H3 DT 4 20.717 17.803 30.346 43 H71 DT 4 H71 DT 4 23.461 19.349 26.757 44 H72 DT 4 H72 DT 4 23.419 17.644 26.298 45 H73 DT 4 H73 DT 4 22.543 18.848 25.320 46 H6 DT 4 H6 DT 4 20.249 18.676 25.630 47 H5' DG 5 H5' DG 5 13.948 20.677 27.968 48 H5'' DG 5 H5'' DG 5 13.075 22.044 27.266 49 H4' DG 5 H4' DG 5 13.281 22.163 29.727 50 H3' DG 5 H3' DG 5 13.489 24.348 28.110 51 H2' DG 5 H2' DG 5 15.852 24.143 27.715 52 H2'' DG 5 H2'' DG 5 15.791 25.348 29.030 53 H1' DG 5 H1' DG 5 16.161 23.753 30.719 54 H8 DG 5 H8 DG 5 17.753 23.013 27.257 55 H1 DG 5 H1 DG 5 21.103 21.091 32.429 56 H21 DG 5 H21 DG 5 20.087 21.849 34.220 57 H22 DG 5 H22 DG 5 18.534 22.661 34.079 58 H5' DT 6 H5' DT 6 12.749 23.979 32.951 59 H5'' DT 6 H5'' DT 6 11.811 25.158 33.863 60 H4' DT 6 H4' DT 6 13.978 25.174 34.762 61 H3' DT 6 H3' DT 6 13.564 27.595 33.029 62 H2' DT 6 H2' DT 6 15.790 28.074 33.143 63 H2'' DT 6 H2'' DT 6 15.878 27.653 34.874 64 H1' DT 6 H1' DT 6 16.395 25.546 34.583 65 H3 DT 6 H3 DT 6 20.379 24.827 32.702 66 H71 DT 6 H71 DT 6 17.212 27.302 29.011 67 H72 DT 6 H72 DT 6 18.978 27.416 28.957 68 H73 DT 6 H73 DT 6 18.189 25.922 28.445 69 H6 DT 6 H6 DT 6 16.324 26.923 31.121 70 H5' DA 7 H5' DA 7 15.053 27.841 37.248 71 H5'' DA 7 H5'' DA 7 14.636 29.308 38.134 72 H4' DA 7 H4' DA 7 16.956 28.695 38.488 73 H3' DA 7 H3' DA 7 16.194 31.293 37.599 74 H2' DA 7 H2' DA 7 17.281 31.132 35.574 75 H2'' DA 7 H2'' DA 7 18.703 31.613 36.526 76 H1' DA 7 H1' DA 7 19.411 29.327 36.837 77 H8 DA 7 H8 DA 7 17.185 29.957 33.704 78 H61 DA 7 H61 DA 7 21.860 27.454 30.502 79 H62 DA 7 H62 DA 7 20.384 28.400 30.365 80 H2 DA 7 H2 DA 7 23.000 27.329 34.695 81 H5' DC 8 H5' DC 8 20.249 30.152 39.213 82 H5'' DC 8 H5'' DC 8 20.826 31.245 40.475 83 H4' DC 8 H4' DC 8 22.677 30.236 39.280 84 H3' DC 8 H3' DC 8 22.406 33.032 39.609 85 H2' DC 8 H2' DC 8 22.220 33.533 37.362 86 H2'' DC 8 H2'' DC 8 23.997 33.340 37.384 87 H1' DC 8 H1' DC 8 23.920 31.116 36.642 88 H41 DC 8 H41 DC 8 21.201 31.316 30.916 89 H42 DC 8 H42 DC 8 19.780 32.127 31.539 90 H5 DC 8 H5 DC 8 19.531 32.765 33.841 91 H6 DC 8 H6 DC 8 20.615 32.746 36.035 92 H5' DA 9 H5' DA 9 26.645 31.768 38.362 93 H5'' DA 9 H5'' DA 9 27.939 32.776 39.007 94 H4' DA 9 H4' DA 9 28.144 32.426 36.610 95 H3' DA 9 H3' DA 9 28.316 34.971 37.785 96 H2' DA 9 H2' DA 9 26.265 35.690 36.896 97 H2'' DA 9 H2'' DA 9 27.321 36.175 35.541 98 H1' DA 9 H1' DA 9 26.950 34.066 34.390 99 H8 DA 9 H8 DA 9 24.055 35.472 36.592 100 H61 DA 9 H61 DA 9 20.738 35.010 31.311 101 H62 DA 9 H62 DA 9 20.641 35.556 32.987 102 H2 DA 9 H2 DA 9 24.641 33.407 30.519 103 H5' DT 10 H5' DT 10 29.426 34.523 33.259 104 H5'' DT 10 H5'' DT 10 30.805 35.538 32.843 105 H4' DT 10 H4' DT 10 29.295 35.636 31.026 106 H3' DT 10 H3' DT 10 28.890 38.145 32.700 107 H2' DT 10 H2' DT 10 27.650 38.909 30.805 108 H2'' DT 10 H2'' DT 10 28.406 37.710 29.724 109 H1' DT 10 H1' DT 10 26.788 36.248 30.186 110 H3 DT 10 H3 DT 10 22.717 37.964 30.311 111 H71 DT 10 H71 DT 10 23.831 39.527 34.830 112 H72 DT 10 H72 DT 10 23.035 37.980 35.082 113 H73 DT 10 H73 DT 10 24.785 38.117 35.355 114 H6 DT 10 H6 DT 10 26.239 37.622 33.589 115 H5' DC 11 H5' DC 11 30.812 39.636 28.996 116 H5'' DC 11 H5'' DC 11 31.830 41.035 29.360 117 H4' DC 11 H4' DC 11 30.107 41.517 27.651 118 H3' DC 11 H3' DC 11 30.704 43.231 29.779 119 H2' DC 11 H2' DC 11 28.866 42.583 31.075 120 H2'' DC 11 H2'' DC 11 28.151 43.972 30.207 121 H1' DC 11 H1' DC 11 27.309 42.576 28.433 122 H41 DC 11 H41 DC 11 23.073 41.191 33.129 123 H42 DC 11 H42 DC 11 22.249 41.219 31.561 124 H5 DC 11 H5 DC 11 25.506 41.024 33.248 125 H6 DC 11 H6 DC 11 27.549 41.207 31.932 126 H5' DG 12 H5' DG 12 30.075 43.460 25.405 127 H5'' DG 12 H5'' DG 12 30.653 44.728 24.322 128 H4' DG 12 H4' DG 12 28.461 44.028 23.618 129 H3' DG 12 H3' DG 12 28.981 46.722 24.103 130 HO3' DG 12 HO3' DG 12 27.075 47.063 22.812 131 H2' DG 12 H2' DG 12 27.903 46.731 26.241 132 H2'' DG 12 H2'' DG 12 26.549 47.248 25.187 133 H1' DG 12 H1' DG 12 25.780 44.989 24.913 134 H8 DG 12 H8 DG 12 27.482 45.710 28.364 135 H1 DG 12 H1 DG 12 21.331 43.735 28.464 136 H21 DG 12 H21 DG 12 20.694 43.347 26.361 137 H22 DG 12 H22 DG 12 21.876 43.406 25.056 138 H5 DCZ 13 H5 DC 13 17.340 43.856 31.678 139 H6 DCZ 13 H6 DC 13 15.730 44.094 29.844 140 HN41 DCZ 13 H41 DC 13 20.935 43.619 30.930 141 HN42 DCZ 13 H42 DC 13 19.708 43.692 32.197 142 H1' DCZ 13 H1' DC 13 16.881 44.721 26.391 143 H2'1 DCZ 13 H2' DC 13 15.165 42.417 27.416 144 H2'2 DCZ 13 H2'' DC 13 16.314 42.408 26.034 145 H3' DCZ 13 H3' DC 13 13.705 43.030 25.593 146 H4' DCZ 13 H4' DC 13 14.086 45.772 25.992 147 H5'1 DCZ 13 H5' DC 13 12.633 45.617 27.957 148 H5'2 DCZ 13 H5'' DC 13 12.035 44.640 26.616 149 HO51 DCZ 13 HO5' DC 13 13.393 43.690 28.961 150 H5' DG 14 H5' DG 14 17.574 42.220 22.379 151 H5'' DG 14 H5'' DG 14 16.305 41.255 21.604 152 H4' DG 14 H4' DG 14 18.054 39.762 22.308 153 H3' DG 14 H3' DG 14 15.369 39.455 23.266 154 H2' DG 14 H2' DG 14 15.973 39.985 25.460 155 H2'' DG 14 H2'' DG 14 16.269 38.215 25.494 156 H1' DG 14 H1' DG 14 18.618 38.560 24.848 157 H8 DG 14 H8 DG 14 16.595 39.905 27.627 158 H1 DG 14 H1 DG 14 22.878 40.752 28.755 159 H21 DG 14 H21 DG 14 23.219 39.964 25.417 160 H22 DG 14 H22 DG 14 24.004 40.500 26.906 161 H5' DA 15 H5' DA 15 18.725 37.596 20.858 162 H5'' DA 15 H5'' DA 15 18.872 36.046 20.035 163 H4' DA 15 H4' DA 15 20.502 36.108 21.764 164 H3' DA 15 H3' DA 15 18.163 34.294 22.396 165 H2' DA 15 H2' DA 15 18.983 33.926 24.475 166 H2'' DA 15 H2'' DA 15 20.679 33.896 23.925 167 H1' DA 15 H1' DA 15 21.038 36.068 24.247 168 H8 DA 15 H8 DA 15 17.340 35.926 25.549 169 H61 DA 15 H61 DA 15 20.240 37.623 30.894 170 H62 DA 15 H62 DA 15 18.627 37.334 30.240 171 H2 DA 15 H2 DA 15 23.232 36.964 27.900 172 H5' DT 16 H5' DT 16 22.511 33.408 21.709 173 H5'' DT 16 H5'' DT 16 23.004 31.749 21.347 174 H4' DT 16 H4' DT 16 24.592 32.848 22.859 175 H3' DT 16 H3' DT 16 22.961 30.592 24.054 176 H2' DT 16 H2' DT 16 24.145 30.901 26.090 177 H2'' DT 16 H2'' DT 16 25.499 31.719 25.277 178 H1' DT 16 H1' DT 16 24.553 33.685 25.808 179 H3 DT 16 H3 DT 16 22.177 34.131 29.579 180 H71 DT 16 H71 DT 16 18.991 31.729 25.859 181 H72 DT 16 H72 DT 16 18.698 31.459 27.593 182 H73 DT 16 H73 DT 16 18.318 33.028 26.873 183 H6 DT 16 H6 DT 16 21.235 32.023 25.349 184 H5' DG 17 H5' DG 17 27.194 29.764 24.655 185 H5'' DG 17 H5'' DG 17 27.673 28.522 23.499 186 H4' DG 17 H4' DG 17 28.945 28.246 25.459 187 H3' DG 17 H3' DG 17 27.647 26.067 24.461 188 H2' DG 17 H2' DG 17 25.740 26.063 25.757 189 H2'' DG 17 H2'' DG 17 26.740 25.190 26.923 190 H1' DG 17 H1' DG 17 26.924 26.973 28.330 191 H8 DG 17 H8 DG 17 24.084 27.482 25.746 192 H1 DG 17 H1 DG 17 23.233 30.538 31.355 193 H21 DG 17 H21 DG 17 24.891 29.989 32.711 194 H22 DG 17 H22 DG 17 26.268 29.062 32.108 195 H5' DT 18 H5' DT 18 30.091 26.509 28.279 196 H5'' DT 18 H5'' DT 18 31.241 25.203 28.569 197 H4' DT 18 H4' DT 18 30.621 26.355 30.627 198 H3' DT 18 H3' DT 18 30.562 23.556 30.344 199 H2' DT 18 H2' DT 18 28.274 23.273 30.522 200 H2'' DT 18 H2'' DT 18 28.589 23.417 32.272 201 H1' DT 18 H1' DT 18 28.082 25.698 32.346 202 H3 DT 18 H3 DT 18 23.740 26.821 31.807 203 H71 DT 18 H71 DT 18 24.067 24.922 27.319 204 H72 DT 18 H72 DT 18 25.134 23.539 27.675 205 H73 DT 18 H73 DT 18 23.480 23.585 28.309 206 H6 DT 18 H6 DT 18 26.743 24.031 29.257 207 H5' DA 19 H5' DA 19 30.386 24.549 35.044 208 H5'' DA 19 H5'' DA 19 31.130 23.221 35.933 209 H4' DA 19 H4' DA 19 28.928 23.858 36.777 210 H3' DA 19 H3' DA 19 29.514 21.103 36.108 211 H2' DA 19 H2' DA 19 27.638 20.861 34.802 212 H2'' DA 19 H2'' DA 19 26.742 20.846 36.342 213 H1' DA 19 H1' DA 19 26.280 23.190 36.250 214 H8 DA 19 H8 DA 19 27.118 21.732 32.741 215 H61 DA 19 H61 DA 19 21.653 24.110 31.032 216 H62 DA 19 H62 DA 19 22.967 23.047 30.545 217 H2 DA 19 H2 DA 19 22.116 24.926 35.284 218 H5' DC 20 H5' DC 20 26.396 22.494 39.143 219 H5'' DC 20 H5'' DC 20 26.167 21.498 40.579 220 H4' DC 20 H4' DC 20 24.065 22.408 39.707 221 H3' DC 20 H3' DC 20 24.430 19.683 40.363 222 H2' DC 20 H2' DC 20 24.203 18.922 38.166 223 H2'' DC 20 H2'' DC 20 22.464 18.989 38.582 224 H1' DC 20 H1' DC 20 22.239 21.221 37.738 225 H41 DC 20 H41 DC 20 22.759 20.258 31.481 226 H42 DC 20 H42 DC 20 24.295 19.454 31.683 227 H5 DC 20 H5 DC 20 25.307 19.006 33.798 228 H6 DC 20 H6 DC 20 25.102 19.342 36.207 229 H5' DA 21 H5' DA 21 19.714 20.394 40.151 230 H5'' DA 21 H5'' DA 21 18.901 19.258 41.228 231 H4' DA 21 H4' DA 21 18.108 19.171 38.892 232 H3' DA 21 H3' DA 21 19.242 16.698 40.085 233 H2' DA 21 H2' DA 21 19.794 15.844 38.063 234 H2'' DA 21 H2'' DA 21 18.156 16.152 37.427 235 H1' DA 21 H1' DA 21 18.659 18.194 36.558 236 H8 DA 21 H8 DA 21 22.127 16.652 37.507 237 H61 DA 21 H61 DA 21 22.968 16.980 31.288 238 H62 DA 21 H62 DA 21 23.749 16.396 32.768 239 H2 DA 21 H2 DA 21 19.144 18.668 32.163 240 H5' DT 22 H5' DT 22 14.899 16.748 37.925 241 H5'' DT 22 H5'' DT 22 14.001 15.262 38.206 242 H4' DT 22 H4' DT 22 13.972 15.995 35.832 243 H3' DT 22 H3' DT 22 15.402 13.385 36.430 244 H2' DT 22 H2' DT 22 15.764 13.148 34.113 245 H2'' DT 22 H2'' DT 22 14.380 14.190 33.691 246 H1' DT 22 H1' DT 22 15.682 15.974 33.561 247 H3 DT 22 H3 DT 22 19.503 14.847 31.400 248 H71 DT 22 H71 DT 22 20.613 12.527 35.637 249 H72 DT 22 H72 DT 22 21.554 14.020 35.592 250 H73 DT 22 H73 DT 22 20.180 13.883 36.706 251 H6 DT 22 H6 DT 22 17.992 14.341 35.950 252 H5' DC 23 H5' DC 23 12.677 12.788 33.231 253 H5'' DC 23 H5'' DC 23 11.760 11.286 33.348 254 H4' DC 23 H4' DC 23 12.883 11.545 31.176 255 H3' DC 23 H3' DC 23 13.048 9.195 32.816 256 H2' DC 23 H2' DC 23 15.330 9.267 33.053 257 H2'' DC 23 H2'' DC 23 15.340 8.536 31.434 258 H1' DC 23 H1' DC 23 15.538 10.645 30.334 259 H41 DC 23 H41 DC 23 21.301 11.005 33.583 260 H42 DC 23 H42 DC 23 21.565 11.215 31.846 261 H5 DC 23 H5 DC 23 19.047 10.869 34.510 262 H6 DC 23 H6 DC 23 16.674 10.788 33.921 263 H5' DG 24 H5' DG 24 14.110 9.403 28.407 264 H5'' DG 24 H5'' DG 24 13.450 8.067 27.460 265 H4' DG 24 H4' DG 24 15.563 8.823 26.533 266 H3' DG 24 H3' DG 24 15.037 6.113 27.116 267 HO3' DG 24 HO3' DG 24 16.530 5.765 25.423 268 H2' DG 24 H2' DG 24 16.514 6.064 28.982 269 H2'' DG 24 H2'' DG 24 17.654 5.598 27.674 270 H1' DG 24 H1' DG 24 18.305 7.899 27.321 271 H8 DG 24 H8 DG 24 17.183 7.455 31.046 272 H1 DG 24 H1 DG 24 23.503 8.180 29.995 273 H21 DG 24 H21 DG 24 23.853 8.044 27.817 274 H22 DG 24 H22 DG 24 22.500 8.094 26.683 275 H85 9U2 100 H85 PA7 25 12.341 22.991 36.996 276 H83 9U2 100 H83 PA7 25 16.072 22.093 33.639 277 H882 9U2 100 H882 PA7 25 13.524 25.746 37.518 278 H883 9U2 100 H883 PA7 25 11.925 25.212 38.054 279 H881 9U2 100 H881 PA7 25 12.310 25.250 36.334 280 H992 9U2 100 H992 PA7 25 13.453 21.943 38.847 281 H993 9U2 100 H993 PA7 25 12.418 23.243 39.407 282 H991 9U2 100 H991 PA7 25 14.168 23.460 39.391 283 H PYB 101 HN7 PA7 25 17.896 24.797 36.277 284 HB1 PYB 101 H73 PA7 25 20.162 26.184 36.668 285 HB PYB 101 H75 PA7 25 17.209 26.208 39.855 286 HD1 PYB 101 H771 PA7 25 19.919 27.384 41.621 287 HD2 PYB 101 H772 PA7 25 19.366 28.879 40.804 288 HD3 PYB 101 H773 PA7 25 18.177 27.717 41.439 289 H PYB 102 HN6 PA7 25 21.941 27.652 36.965 290 HB1 PYB 102 H63 PA7 25 24.183 28.812 35.886 291 HB PYB 102 H65 PA7 25 24.261 27.756 40.088 292 HD1 PYB 102 H661 PA7 25 27.026 29.723 40.011 293 HD2 PYB 102 H662 PA7 25 27.761 28.241 39.326 294 HD3 PYB 102 H663 PA7 25 26.580 28.114 40.647 295 H PYB 103 HN5 PA7 25 25.788 30.065 35.192 296 HB1 PYB 103 H53 PA7 25 26.352 31.608 33.176 297 HB PYB 103 H55 PA7 25 29.693 30.306 35.610 298 HD1 PYB 103 H551 PA7 25 31.175 32.854 33.628 299 HD2 PYB 103 H552 PA7 25 31.350 31.369 32.647 300 HD3 PYB 103 H553 PA7 25 31.590 31.305 34.414 301 H ABU 104 HN9 PA7 25 26.707 32.789 31.633 302 HA1 ABU 104 H942 PA7 25 26.746 34.182 29.627 303 HA2 ABU 104 H943 PA7 25 28.350 33.550 29.204 304 HB1 ABU 104 H931 PA7 25 26.146 32.639 28.023 305 HB2 ABU 104 H932 PA7 25 25.940 31.675 29.468 306 HG1 ABU 104 H921 PA7 25 28.175 31.590 27.375 307 HG2 ABU 104 H922 PA7 25 26.996 30.364 27.781 308 H IMT 105 HN4 PA7 25 27.179 29.621 30.182 309 HB IMT 105 H44 PA7 25 30.995 29.507 30.710 310 HD1 IMT 105 H441 PA7 25 31.967 28.693 34.007 311 HD2 IMT 105 H442 PA7 25 32.010 27.116 33.156 312 HD3 IMT 105 H443 PA7 25 32.591 28.594 32.340 313 H PYB 106 HN3 PA7 25 27.186 27.132 34.112 314 HB1 PYB 106 H33 PA7 25 25.407 25.998 35.719 315 HB PYB 106 H35 PA7 25 29.407 26.573 37.295 316 HD1 PYB 106 H331 PA7 25 28.041 24.150 39.515 317 HD2 PYB 106 H332 PA7 25 29.276 25.432 39.425 318 HD3 PYB 106 H333 PA7 25 27.725 25.753 40.248 319 H PYB 107 HN2 PA7 25 24.054 24.716 36.944 320 HB1 PYB 107 H23 PA7 25 21.677 23.440 36.982 321 HB PYB 107 H25 PA7 25 23.080 25.205 40.684 322 HD1 PYB 107 H221 PA7 25 19.556 24.762 41.305 323 HD2 PYB 107 H222 PA7 25 20.451 23.331 41.902 324 HD3 PYB 107 H223 PA7 25 21.129 24.972 42.114 325 H PYB 108 HN1 PA7 25 19.992 22.208 37.081 326 HB1 PYB 108 H13 PA7 25 18.751 20.547 35.488 327 HB PYB 108 H15 PA7 25 16.666 21.690 39.112 328 HD1 PYB 108 H111 PA7 25 14.038 20.264 37.432 329 HD2 PYB 108 H112 PA7 25 14.879 18.759 37.881 330 HD3 PYB 108 H113 PA7 25 14.785 20.088 39.055 331 H006 9T8 109 H006 PA7 25 10.880 20.127 25.962 332 H004 9T8 109 H004 PA7 25 11.576 20.492 27.562 333 H005 9T8 109 H005 PA7 25 10.391 19.173 27.389 334 HN02 9T8 109 HN02 PA7 25 16.519 18.133 29.780 335 H031 9T8 109 H031 PA7 25 12.073 17.622 28.459 336 H032 9T8 109 H032 PA7 25 13.137 19.021 28.582 337 H052 9T8 109 H052 PA7 25 15.548 16.196 29.070 338 H051 9T8 109 H051 PA7 25 14.063 16.629 29.923 339 H072 9T8 109 H072 PA7 25 15.384 20.480 32.148 340 H071 9T8 109 H071 PA7 25 16.781 19.994 31.179 341 H042 9T8 109 H042 PA7 25 14.836 17.689 27.134 342 H041 9T8 109 H041 PA7 25 13.811 16.292 27.412 343 HN01 9T8 109 HN01 PA7 25 13.140 19.216 26.126 344 H001 9T8 109 H001 PA7 25 11.451 18.016 24.810 345 H002 9T8 109 H002 PA7 25 11.029 17.054 26.254 346 H003 9T8 109 H003 PA7 25 12.645 16.892 25.510 347 H1 9T8 109 HN03 PA7 25 17.748 19.485 34.067 348 H081 9T8 109 H081 PA7 25 17.028 17.909 32.369 349 H082 9T8 109 H082 PA7 25 15.380 17.988 33.008 Start of MODEL 4 1 H5 DCZ 1 H5 DC 1 27.010 11.085 31.768 2 H6 DCZ 1 H6 DC 1 28.317 10.739 29.711 3 HN41 DCZ 1 H41 DC 1 23.882 9.166 32.252 4 HN42 DCZ 1 H42 DC 1 24.971 10.369 32.960 5 H1' DCZ 1 H1' DC 1 27.401 8.111 27.216 6 H2'1 DCZ 1 H2' DC 1 27.063 11.043 27.153 7 H2'2 DCZ 1 H2'' DC 1 26.952 9.832 25.843 8 H3' DCZ 1 H3' DC 1 29.241 11.510 26.751 9 H4' DCZ 1 H4' DC 1 29.841 8.638 26.053 10 H5'1 DCZ 1 H5' DC 1 31.770 8.958 27.533 11 H5'2 DCZ 1 H5'' DC 1 31.748 10.172 26.248 12 HO51 DCZ 1 HO5' DC 1 32.242 11.012 28.422 13 H5' DG 2 H5' DG 2 26.620 9.718 23.381 14 H5'' DG 2 H5'' DG 2 27.105 10.702 22.001 15 H4' DG 2 H4' DG 2 24.854 10.184 21.656 16 H3' DG 2 H3' DG 2 25.642 12.802 21.705 17 H2' DG 2 H2' DG 2 24.949 13.318 23.885 18 H2'' DG 2 H2'' DG 2 23.440 13.724 23.043 19 H1' DG 2 H1' DG 2 22.397 11.712 23.630 20 H8 DG 2 H8 DG 2 25.599 12.118 25.800 21 H1 DG 2 H1 DG 2 20.142 11.329 29.131 22 H21 DG 2 H21 DG 2 18.707 11.314 26.001 23 H22 DG 2 H22 DG 2 18.447 11.274 27.743 24 H5' DA 3 H5' DA 3 20.996 13.092 20.792 25 H5'' DA 3 H5'' DA 3 20.718 14.536 19.810 26 H4' DA 3 H4' DA 3 19.346 14.672 21.776 27 H3' DA 3 H3' DA 3 21.738 16.522 21.897 28 H2' DA 3 H2' DA 3 21.302 16.991 24.072 29 H2'' DA 3 H2'' DA 3 19.538 16.996 23.822 30 H1' DA 3 H1' DA 3 19.229 14.853 24.327 31 H8 DA 3 H8 DA 3 23.081 15.100 24.907 32 H61 DA 3 H61 DA 3 21.422 14.520 30.912 33 H62 DA 3 H62 DA 3 22.803 14.664 29.829 34 H2 DA 3 H2 DA 3 17.781 14.610 28.555 35 H5' DT 4 H5' DT 4 17.474 18.146 22.470 36 H5'' DT 4 H5'' DT 4 17.308 19.896 22.309 37 H4' DT 4 H4' DT 4 16.199 19.016 24.312 38 H3' DT 4 H3' DT 4 18.651 20.661 25.008 39 H2' DT 4 H2' DT 4 17.813 20.548 27.270 40 H2'' DT 4 H2'' DT 4 16.252 19.920 26.736 41 H1' DT 4 H1' DT 4 17.168 17.872 27.051 42 H3 DT 4 H3 DT 4 20.499 17.828 30.063 43 H71 DT 4 H71 DT 4 23.490 19.403 26.707 44 H72 DT 4 H72 DT 4 23.387 17.751 26.104 45 H73 DT 4 H73 DT 4 22.616 19.074 25.200 46 H6 DT 4 H6 DT 4 20.303 18.892 25.366 47 H5' DG 5 H5' DG 5 14.355 20.717 27.486 48 H5'' DG 5 H5'' DG 5 13.209 21.860 26.781 49 H4' DG 5 H4' DG 5 13.007 21.896 29.126 50 H3' DG 5 H3' DG 5 13.240 24.209 27.726 51 H2' DG 5 H2' DG 5 15.552 24.521 27.948 52 H2'' DG 5 H2'' DG 5 15.045 25.404 29.407 53 H1' DG 5 H1' DG 5 15.617 23.670 30.836 54 H8 DG 5 H8 DG 5 17.354 23.347 27.360 55 H1 DG 5 H1 DG 5 20.720 21.150 32.406 56 H21 DG 5 H21 DG 5 19.707 21.801 34.233 57 H22 DG 5 H22 DG 5 18.136 22.584 34.148 58 H5' DT 6 H5' DT 6 12.548 24.577 32.502 59 H5'' DT 6 H5'' DT 6 11.752 26.098 32.930 60 H4' DT 6 H4' DT 6 13.539 25.577 34.517 61 H3' DT 6 H3' DT 6 14.185 27.904 32.671 62 H2' DT 6 H2' DT 6 16.200 28.134 33.855 63 H2'' DT 6 H2'' DT 6 15.573 27.273 35.284 64 H1' DT 6 H1' DT 6 16.403 25.436 34.596 65 H3 DT 6 H3 DT 6 20.294 24.842 32.619 66 H71 DT 6 H71 DT 6 16.975 27.326 29.064 67 H72 DT 6 H72 DT 6 18.735 27.345 28.867 68 H73 DT 6 H73 DT 6 17.830 25.888 28.464 69 H6 DT 6 H6 DT 6 16.191 26.968 31.213 70 H5' DA 7 H5' DA 7 14.682 28.408 36.970 71 H5'' DA 7 H5'' DA 7 14.434 30.023 37.621 72 H4' DA 7 H4' DA 7 16.553 28.944 38.354 73 H3' DA 7 H3' DA 7 16.264 31.614 37.548 74 H2' DA 7 H2' DA 7 17.365 31.392 35.524 75 H2'' DA 7 H2'' DA 7 18.801 31.695 36.530 76 H1' DA 7 H1' DA 7 19.301 29.375 36.756 77 H8 DA 7 H8 DA 7 17.135 30.249 33.634 78 H61 DA 7 H61 DA 7 21.666 27.457 30.424 79 H62 DA 7 H62 DA 7 20.226 28.457 30.274 80 H2 DA 7 H2 DA 7 22.777 27.268 34.613 81 H5' DC 8 H5' DC 8 20.276 30.230 39.288 82 H5'' DC 8 H5'' DC 8 20.923 31.347 40.493 83 H4' DC 8 H4' DC 8 22.694 30.274 39.217 84 H3' DC 8 H3' DC 8 22.469 33.085 39.530 85 H2' DC 8 H2' DC 8 22.207 33.553 37.285 86 H2'' DC 8 H2'' DC 8 23.984 33.354 37.256 87 H1' DC 8 H1' DC 8 23.863 31.095 36.587 88 H41 DC 8 H41 DC 8 21.212 31.117 30.830 89 H42 DC 8 H42 DC 8 19.836 32.049 31.374 90 H5 DC 8 H5 DC 8 19.605 32.855 33.646 91 H6 DC 8 H6 DC 8 20.649 32.883 35.857 92 H5' DA 9 H5' DA 9 26.740 31.825 38.266 93 H5'' DA 9 H5'' DA 9 28.008 32.919 38.814 94 H4' DA 9 H4' DA 9 28.121 32.463 36.425 95 H3' DA 9 H3' DA 9 28.276 35.058 37.482 96 H2' DA 9 H2' DA 9 26.126 35.631 36.692 97 H2'' DA 9 H2'' DA 9 27.091 36.158 35.290 98 H1' DA 9 H1' DA 9 26.828 33.972 34.210 99 H8 DA 9 H8 DA 9 23.929 35.444 36.349 100 H61 DA 9 H61 DA 9 20.688 34.947 31.032 101 H62 DA 9 H62 DA 9 20.591 35.534 32.692 102 H2 DA 9 H2 DA 9 24.512 33.082 30.381 103 H5' DT 10 H5' DT 10 28.642 34.442 32.979 104 H5'' DT 10 H5'' DT 10 30.162 35.135 32.415 105 H4' DT 10 H4' DT 10 28.831 35.504 30.616 106 H3' DT 10 H3' DT 10 28.204 37.968 32.281 107 H2' DT 10 H2' DT 10 27.230 38.735 30.211 108 H2'' DT 10 H2'' DT 10 28.082 37.486 29.270 109 H1' DT 10 H1' DT 10 26.337 36.106 29.598 110 H3 DT 10 H3 DT 10 22.331 37.972 29.547 111 H71 DT 10 H71 DT 10 23.205 39.396 34.127 112 H72 DT 10 H72 DT 10 22.381 37.854 34.309 113 H73 DT 10 H73 DT 10 24.116 37.973 34.688 114 H6 DT 10 H6 DT 10 25.649 37.426 32.997 115 H5' DC 11 H5' DC 11 30.426 39.460 28.842 116 H5'' DC 11 H5'' DC 11 31.408 40.867 29.267 117 H4' DC 11 H4' DC 11 29.871 41.303 27.375 118 H3' DC 11 H3' DC 11 30.275 43.083 29.476 119 H2' DC 11 H2' DC 11 28.329 42.471 30.654 120 H2'' DC 11 H2'' DC 11 27.690 43.825 29.683 121 H1' DC 11 H1' DC 11 26.969 42.381 27.905 122 H41 DC 11 H41 DC 11 22.611 41.073 32.538 123 H42 DC 11 H42 DC 11 21.814 41.231 30.965 124 H5 DC 11 H5 DC 11 25.037 40.772 32.670 125 H6 DC 11 H6 DC 11 27.104 40.894 31.369 126 H5' DG 12 H5' DG 12 29.964 43.444 25.178 127 H5'' DG 12 H5'' DG 12 30.483 44.767 24.136 128 H4' DG 12 H4' DG 12 28.401 43.829 23.326 129 H3' DG 12 H3' DG 12 28.708 46.576 23.753 130 HO3' DG 12 HO3' DG 12 26.937 46.732 22.261 131 H2' DG 12 H2' DG 12 27.421 46.592 25.762 132 H2'' DG 12 H2'' DG 12 26.139 46.944 24.559 133 H1' DG 12 H1' DG 12 25.572 44.614 24.351 134 H8 DG 12 H8 DG 12 27.046 45.416 27.885 135 H1 DG 12 H1 DG 12 20.824 43.685 27.681 136 H21 DG 12 H21 DG 12 20.271 43.285 25.569 137 H22 DG 12 H22 DG 12 21.493 43.353 24.299 138 H5 DCZ 13 H5 DC 13 16.777 43.464 30.914 139 H6 DCZ 13 H6 DC 13 15.193 43.329 29.043 140 HN41 DCZ 13 H41 DC 13 20.382 43.834 30.220 141 HN42 DCZ 13 H42 DC 13 19.133 43.789 31.472 142 H1' DCZ 13 H1' DC 13 16.304 44.095 25.620 143 H2'1 DCZ 13 H2' DC 13 15.014 41.492 26.555 144 H2'2 DCZ 13 H2'' DC 13 16.262 41.698 25.272 145 H3' DCZ 13 H3' DC 13 13.657 41.820 24.559 146 H4' DCZ 13 H4' DC 13 13.330 44.531 25.081 147 H5'1 DCZ 13 H5' DC 13 11.650 42.823 25.557 148 H5'2 DCZ 13 H5'' DC 13 12.619 42.176 26.886 149 HO51 DCZ 13 HO5' DC 13 12.369 44.264 27.937 150 H5' DG 14 H5' DG 14 17.493 41.089 21.458 151 H5'' DG 14 H5'' DG 14 16.103 40.112 20.951 152 H4' DG 14 H4' DG 14 17.921 38.681 21.779 153 H3' DG 14 H3' DG 14 15.216 38.546 22.723 154 H2' DG 14 H2' DG 14 15.795 39.279 24.858 155 H2'' DG 14 H2'' DG 14 16.071 37.519 25.076 156 H1' DG 14 H1' DG 14 18.434 37.779 24.443 157 H8 DG 14 H8 DG 14 16.371 39.130 27.092 158 H1 DG 14 H1 DG 14 22.500 40.782 28.158 159 H21 DG 14 H21 DG 14 22.952 39.873 24.864 160 H22 DG 14 H22 DG 14 23.664 40.549 26.333 161 H5' DA 15 H5' DA 15 18.360 36.475 20.244 162 H5'' DA 15 H5'' DA 15 18.520 34.826 19.648 163 H4' DA 15 H4' DA 15 20.314 35.350 21.208 164 H3' DA 15 H3' DA 15 18.294 33.266 22.043 165 H2' DA 15 H2' DA 15 19.147 33.173 24.137 166 H2'' DA 15 H2'' DA 15 20.830 33.342 23.580 167 H1' DA 15 H1' DA 15 20.887 35.551 23.795 168 H8 DA 15 H8 DA 15 17.169 35.083 24.955 169 H61 DA 15 H61 DA 15 19.691 37.195 30.349 170 H62 DA 15 H62 DA 15 18.140 36.684 29.676 171 H2 DA 15 H2 DA 15 22.836 36.713 27.499 172 H5' DT 16 H5' DT 16 22.787 32.757 21.502 173 H5'' DT 16 H5'' DT 16 23.424 31.117 21.344 174 H4' DT 16 H4' DT 16 24.803 32.553 22.814 175 H3' DT 16 H3' DT 16 23.430 30.188 24.128 176 H2' DT 16 H2' DT 16 24.529 30.809 26.161 177 H2'' DT 16 H2'' DT 16 25.741 31.778 25.292 178 H1' DT 16 H1' DT 16 24.479 33.584 25.696 179 H3 DT 16 H3 DT 16 21.978 33.851 29.376 180 H71 DT 16 H71 DT 16 18.322 32.382 26.562 181 H72 DT 16 H72 DT 16 19.134 31.137 25.585 182 H73 DT 16 H73 DT 16 18.806 30.858 27.310 183 H6 DT 16 H6 DT 16 21.386 31.561 25.175 184 H5' DG 17 H5' DG 17 27.750 29.415 24.743 185 H5'' DG 17 H5'' DG 17 28.226 28.090 23.682 186 H4' DG 17 H4' DG 17 29.325 27.855 25.766 187 H3' DG 17 H3' DG 17 28.012 25.715 24.697 188 H2' DG 17 H2' DG 17 26.013 25.803 25.843 189 H2'' DG 17 H2'' DG 17 26.891 24.932 27.107 190 H1' DG 17 H1' DG 17 27.016 26.749 28.475 191 H8 DG 17 H8 DG 17 24.414 27.323 25.656 192 H1 DG 17 H1 DG 17 23.181 30.353 31.223 193 H21 DG 17 H21 DG 17 24.804 29.883 32.650 194 H22 DG 17 H22 DG 17 26.222 28.981 32.108 195 H5' DT 18 H5' DT 18 30.275 26.020 28.661 196 H5'' DT 18 H5'' DT 18 31.265 24.618 29.087 197 H4' DT 18 H4' DT 18 30.466 25.803 31.080 198 H3' DT 18 H3' DT 18 29.963 22.990 30.564 199 H2' DT 18 H2' DT 18 27.759 22.967 31.066 200 H2'' DT 18 H2'' DT 18 28.204 23.365 32.746 201 H1' DT 18 H1' DT 18 27.836 25.613 32.506 202 H3 DT 18 H3 DT 18 23.535 26.804 31.803 203 H71 DT 18 H71 DT 18 24.047 24.883 27.338 204 H72 DT 18 H72 DT 18 25.036 23.462 27.759 205 H73 DT 18 H73 DT 18 23.347 23.573 28.292 206 H6 DT 18 H6 DT 18 26.568 23.892 29.434 207 H5' DA 19 H5' DA 19 30.095 24.078 35.024 208 H5'' DA 19 H5'' DA 19 30.797 22.801 36.020 209 H4' DA 19 H4' DA 19 28.746 23.659 36.978 210 H3' DA 19 H3' DA 19 29.087 20.863 36.477 211 H2' DA 19 H2' DA 19 27.258 20.675 35.086 212 H2'' DA 19 H2'' DA 19 26.325 20.694 36.601 213 H1' DA 19 H1' DA 19 25.884 23.032 36.460 214 H8 DA 19 H8 DA 19 26.822 21.491 33.012 215 H61 DA 19 H61 DA 19 21.524 24.093 31.016 216 H62 DA 19 H62 DA 19 22.801 22.964 30.583 217 H2 DA 19 H2 DA 19 21.861 24.953 35.257 218 H5' DC 20 H5' DC 20 25.897 22.384 39.239 219 H5'' DC 20 H5'' DC 20 25.581 21.475 40.716 220 H4' DC 20 H4' DC 20 23.524 22.244 39.689 221 H3' DC 20 H3' DC 20 23.959 19.519 40.358 222 H2' DC 20 H2' DC 20 23.837 18.785 38.136 223 H2'' DC 20 H2'' DC 20 22.081 18.793 38.491 224 H1' DC 20 H1' DC 20 21.845 21.058 37.705 225 H41 DC 20 H41 DC 20 22.376 20.272 31.441 226 H42 DC 20 H42 DC 20 23.938 19.503 31.607 227 H5 DC 20 H5 DC 20 24.954 18.984 33.720 228 H6 DC 20 H6 DC 20 24.733 19.236 36.140 229 H5' DA 21 H5' DA 21 19.349 20.275 39.885 230 H5'' DA 21 H5'' DA 21 18.415 19.204 40.926 231 H4' DA 21 H4' DA 21 17.714 19.118 38.602 232 H3' DA 21 H3' DA 21 18.571 16.646 39.911 233 H2' DA 21 H2' DA 21 19.656 15.901 38.044 234 H2'' DA 21 H2'' DA 21 18.060 15.794 37.250 235 H1' DA 21 H1' DA 21 18.230 17.978 36.329 236 H8 DA 21 H8 DA 21 21.796 16.639 37.218 237 H61 DA 21 H61 DA 21 22.622 17.072 31.011 238 H62 DA 21 H62 DA 21 23.405 16.484 32.485 239 H2 DA 21 H2 DA 21 18.716 18.583 31.900 240 H5' DT 22 H5' DT 22 14.401 16.919 37.286 241 H5'' DT 22 H5'' DT 22 13.389 15.520 37.632 242 H4' DT 22 H4' DT 22 13.417 16.122 35.236 243 H3' DT 22 H3' DT 22 14.658 13.473 36.016 244 H2' DT 22 H2' DT 22 15.300 13.121 33.809 245 H2'' DT 22 H2'' DT 22 13.952 14.081 33.152 246 H1' DT 22 H1' DT 22 15.171 15.905 33.004 247 H3 DT 22 H3 DT 22 19.136 14.897 31.078 248 H71 DT 22 H71 DT 22 20.365 14.324 36.048 249 H72 DT 22 H72 DT 22 19.302 12.894 36.035 250 H73 DT 22 H73 DT 22 20.734 12.951 35.002 251 H6 DT 22 H6 DT 22 17.371 14.288 35.524 252 H5' DC 23 H5' DC 23 12.152 12.934 32.602 253 H5'' DC 23 H5'' DC 23 11.252 11.419 32.609 254 H4' DC 23 H4' DC 23 12.626 11.665 30.595 255 H3' DC 23 H3' DC 23 12.760 9.360 32.360 256 H2' DC 23 H2' DC 23 15.031 9.458 32.593 257 H2'' DC 23 H2'' DC 23 15.080 8.765 30.957 258 H1' DC 23 H1' DC 23 15.209 10.911 29.913 259 H41 DC 23 H41 DC 23 20.993 11.121 33.118 260 H42 DC 23 H42 DC 23 21.275 11.312 31.388 261 H5 DC 23 H5 DC 23 18.756 11.052 34.059 262 H6 DC 23 H6 DC 23 16.374 11.023 33.495 263 H5' DG 24 H5' DG 24 13.863 9.498 28.019 264 H5'' DG 24 H5'' DG 24 13.312 8.135 27.044 265 H4' DG 24 H4' DG 24 15.447 9.014 26.249 266 H3' DG 24 H3' DG 24 14.981 6.271 26.721 267 HO3' DG 24 HO3' DG 24 16.655 6.031 25.141 268 H2' DG 24 H2' DG 24 16.355 6.234 28.675 269 H2'' DG 24 H2'' DG 24 17.571 5.816 27.419 270 H1' DG 24 H1' DG 24 18.147 8.155 27.115 271 H8 DG 24 H8 DG 24 16.959 7.704 30.818 272 H1 DG 24 H1 DG 24 23.310 8.201 29.846 273 H21 DG 24 H21 DG 24 23.689 8.113 27.666 274 H22 DG 24 H22 DG 24 22.348 8.209 26.521 275 H85 9U2 100 H85 PA7 25 12.015 23.085 36.920 276 H83 9U2 100 H83 PA7 25 15.738 22.027 33.626 277 H882 9U2 100 H882 PA7 25 11.461 25.296 37.854 278 H883 9U2 100 H883 PA7 25 11.928 25.356 36.150 279 H881 9U2 100 H881 PA7 25 13.056 25.912 37.396 280 H992 9U2 100 H992 PA7 25 12.098 23.107 39.224 281 H993 9U2 100 H993 PA7 25 13.623 23.975 39.328 282 H991 9U2 100 H991 PA7 25 13.598 22.300 38.767 283 H PYB 101 HN7 PA7 25 17.650 24.715 36.257 284 HB1 PYB 101 H73 PA7 25 19.942 26.084 36.643 285 HB PYB 101 H75 PA7 25 16.852 26.408 39.681 286 HD1 PYB 101 H771 PA7 25 19.545 27.502 41.517 287 HD2 PYB 101 H772 PA7 25 19.111 28.997 40.631 288 HD3 PYB 101 H773 PA7 25 17.833 27.924 41.249 289 H PYB 102 HN6 PA7 25 21.736 27.603 36.914 290 HB1 PYB 102 H63 PA7 25 24.008 28.741 35.885 291 HB PYB 102 H65 PA7 25 23.992 27.684 40.085 292 HD1 PYB 102 H661 PA7 25 26.723 29.658 40.103 293 HD2 PYB 102 H662 PA7 25 27.521 28.221 39.398 294 HD3 PYB 102 H663 PA7 25 26.319 28.022 40.685 295 H PYB 103 HN5 PA7 25 25.655 29.954 35.209 296 HB1 PYB 103 H53 PA7 25 26.257 31.436 33.188 297 HB PYB 103 H55 PA7 25 29.568 30.141 35.663 298 HD1 PYB 103 H551 PA7 25 31.054 32.652 33.565 299 HD2 PYB 103 H552 PA7 25 31.274 31.100 32.708 300 HD3 PYB 103 H553 PA7 25 31.483 31.179 34.480 301 H ABU 104 HN9 PA7 25 26.618 32.462 31.571 302 HA1 ABU 104 H942 PA7 25 26.612 33.859 29.601 303 HA2 ABU 104 H943 PA7 25 28.270 33.364 29.209 304 HB1 ABU 104 H931 PA7 25 26.186 32.352 27.912 305 HB2 ABU 104 H932 PA7 25 25.987 31.321 29.307 306 HG1 ABU 104 H921 PA7 25 28.385 31.496 27.396 307 HG2 ABU 104 H922 PA7 25 27.232 30.199 27.549 308 H IMT 105 HN4 PA7 25 27.203 29.442 30.094 309 HB IMT 105 H44 PA7 25 30.983 29.230 30.786 310 HD1 IMT 105 H441 PA7 25 32.489 28.265 32.462 311 HD2 IMT 105 H442 PA7 25 31.820 28.484 34.102 312 HD3 IMT 105 H443 PA7 25 31.829 26.861 33.342 313 H PYB 106 HN3 PA7 25 26.966 27.063 34.157 314 HB1 PYB 106 H33 PA7 25 25.135 25.962 35.741 315 HB PYB 106 H35 PA7 25 29.140 26.379 37.350 316 HD1 PYB 106 H331 PA7 25 28.929 25.278 39.506 317 HD2 PYB 106 H332 PA7 25 27.392 25.731 40.289 318 HD3 PYB 106 H333 PA7 25 27.614 24.082 39.633 319 H PYB 107 HN2 PA7 25 23.753 24.648 36.939 320 HB1 PYB 107 H23 PA7 25 21.404 23.329 36.927 321 HB PYB 107 H25 PA7 25 22.659 25.185 40.638 322 HD1 PYB 107 H221 PA7 25 19.996 23.335 41.807 323 HD2 PYB 107 H222 PA7 25 20.639 24.992 41.990 324 HD3 PYB 107 H223 PA7 25 19.107 24.730 41.124 325 H PYB 108 HN1 PA7 25 19.664 22.099 36.970 326 HB1 PYB 108 H13 PA7 25 18.404 20.401 35.390 327 HB PYB 108 H15 PA7 25 16.273 21.734 38.922 328 HD1 PYB 108 H111 PA7 25 13.627 20.449 37.295 329 HD2 PYB 108 H112 PA7 25 14.358 18.864 37.660 330 HD3 PYB 108 H113 PA7 25 14.385 20.136 38.891 331 H006 9T8 109 H006 PA7 25 10.401 19.485 26.444 332 H004 9T8 109 H004 PA7 25 11.049 20.620 25.231 333 H005 9T8 109 H005 PA7 25 11.493 20.795 26.948 334 HN02 9T8 109 HN02 PA7 25 16.335 18.285 29.439 335 H031 9T8 109 H031 PA7 25 12.033 17.922 27.628 336 H032 9T8 109 H032 PA7 25 13.025 19.333 27.988 337 H052 9T8 109 H052 PA7 25 15.390 16.422 28.484 338 H051 9T8 109 H051 PA7 25 13.825 16.813 29.197 339 H072 9T8 109 H072 PA7 25 15.070 20.477 31.885 340 H071 9T8 109 H071 PA7 25 16.522 19.945 31.036 341 H042 9T8 109 H042 PA7 25 14.931 18.183 26.670 342 H041 9T8 109 H041 PA7 25 13.928 16.751 26.639 343 HN01 9T8 109 HN01 PA7 25 13.278 19.721 25.525 344 H001 9T8 109 H001 PA7 25 11.800 18.576 23.971 345 H002 9T8 109 H002 PA7 25 11.201 17.539 25.292 346 H003 9T8 109 H003 PA7 25 12.896 17.405 24.747 347 H1 9T8 109 HN03 PA7 25 17.356 19.409 33.912 348 H081 9T8 109 H081 PA7 25 16.570 17.832 32.244 349 H082 9T8 109 H082 PA7 25 14.915 18.047 32.825 Start of MODEL 5 1 H5 DCZ 1 H5 DC 1 27.247 11.792 31.152 2 H6 DCZ 1 H6 DC 1 28.557 11.264 29.141 3 HN41 DCZ 1 H41 DC 1 24.653 9.422 32.293 4 HN42 DCZ 1 H42 DC 1 25.415 10.991 32.576 5 H1' DCZ 1 H1' DC 1 27.958 8.107 27.187 6 H2'1 DCZ 1 H2' DC 1 27.222 10.931 26.882 7 H2'2 DCZ 1 H2'' DC 1 27.249 9.603 25.685 8 H3' DCZ 1 H3' DC 1 29.400 11.584 26.443 9 H4' DCZ 1 H4' DC 1 29.979 8.725 25.604 10 H5'1 DCZ 1 H5' DC 1 32.192 9.111 26.531 11 H5'2 DCZ 1 H5'' DC 1 31.840 10.334 25.306 12 HO51 DCZ 1 HO5' DC 1 31.623 10.702 28.149 13 H5' DG 2 H5' DG 2 26.470 9.745 23.306 14 H5'' DG 2 H5'' DG 2 26.922 10.760 21.940 15 H4' DG 2 H4' DG 2 24.691 10.232 21.581 16 H3' DG 2 H3' DG 2 25.390 12.860 21.724 17 H2' DG 2 H2' DG 2 24.758 13.236 23.968 18 H2'' DG 2 H2'' DG 2 23.237 13.681 23.176 19 H1' DG 2 H1' DG 2 22.210 11.633 23.680 20 H8 DG 2 H8 DG 2 25.496 11.709 25.747 21 H1 DG 2 H1 DG 2 20.134 11.200 29.267 22 H21 DG 2 H21 DG 2 18.561 11.566 26.225 23 H22 DG 2 H22 DG 2 18.388 11.341 27.970 24 H5' DA 3 H5' DA 3 20.788 13.245 21.112 25 H5'' DA 3 H5'' DA 3 20.477 14.718 20.183 26 H4' DA 3 H4' DA 3 19.331 14.973 22.235 27 H3' DA 3 H3' DA 3 21.962 16.488 22.392 28 H2' DA 3 H2' DA 3 21.467 17.009 24.564 29 H2'' DA 3 H2'' DA 3 19.714 17.041 24.255 30 H1' DA 3 H1' DA 3 19.347 14.955 24.793 31 H8 DA 3 H8 DA 3 23.235 14.934 25.203 32 H61 DA 3 H61 DA 3 21.731 14.388 31.275 33 H62 DA 3 H62 DA 3 23.103 14.435 30.166 34 H2 DA 3 H2 DA 3 18.055 14.725 29.040 35 H5' DT 4 H5' DT 4 17.834 18.269 22.822 36 H5'' DT 4 H5'' DT 4 17.643 20.018 22.867 37 H4' DT 4 H4' DT 4 16.387 18.820 24.614 38 H3' DT 4 H3' DT 4 18.602 20.582 25.693 39 H2' DT 4 H2' DT 4 17.539 20.194 27.868 40 H2'' DT 4 H2'' DT 4 16.142 19.420 27.101 41 H1' DT 4 H1' DT 4 17.361 17.511 27.448 42 H3 DT 4 H3 DT 4 20.643 17.763 30.465 43 H71 DT 4 H71 DT 4 23.595 19.301 27.085 44 H72 DT 4 H72 DT 4 23.428 17.679 26.412 45 H73 DT 4 H73 DT 4 22.670 19.063 25.590 46 H6 DT 4 H6 DT 4 20.362 18.816 25.778 47 H5' DG 5 H5' DG 5 14.299 20.321 28.060 48 H5'' DG 5 H5'' DG 5 13.064 21.317 27.277 49 H4' DG 5 H4' DG 5 12.931 21.680 29.608 50 H3' DG 5 H3' DG 5 13.167 23.800 27.887 51 H2' DG 5 H2' DG 5 15.432 24.258 28.096 52 H2'' DG 5 H2'' DG 5 14.912 25.210 29.500 53 H1' DG 5 H1' DG 5 15.614 23.645 31.018 54 H8 DG 5 H8 DG 5 17.211 23.016 27.512 55 H1 DG 5 H1 DG 5 20.752 21.295 32.624 56 H21 DG 5 H21 DG 5 19.763 22.087 34.426 57 H22 DG 5 H22 DG 5 18.191 22.872 34.299 58 H5' DT 6 H5' DT 6 12.570 24.508 32.481 59 H5'' DT 6 H5'' DT 6 11.693 25.987 32.898 60 H4' DT 6 H4' DT 6 13.539 25.556 34.464 61 H3' DT 6 H3' DT 6 13.866 27.963 32.662 62 H2' DT 6 H2' DT 6 15.980 28.313 33.518 63 H2'' DT 6 H2'' DT 6 15.581 27.563 35.091 64 H1' DT 6 H1' DT 6 16.356 25.663 34.528 65 H3 DT 6 H3 DT 6 20.232 25.019 32.527 66 H71 DT 6 H71 DT 6 17.769 25.737 28.371 67 H72 DT 6 H72 DT 6 16.740 27.101 28.867 68 H73 DT 6 H73 DT 6 18.491 27.324 28.665 69 H6 DT 6 H6 DT 6 16.072 26.997 31.074 70 H5' DA 7 H5' DA 7 14.618 28.308 36.999 71 H5'' DA 7 H5'' DA 7 14.249 29.862 37.741 72 H4' DA 7 H4' DA 7 16.470 28.990 38.364 73 H3' DA 7 H3' DA 7 15.955 31.642 37.543 74 H2' DA 7 H2' DA 7 17.102 31.482 35.544 75 H2'' DA 7 H2'' DA 7 18.498 31.885 36.566 76 H1' DA 7 H1' DA 7 19.132 29.583 36.825 77 H8 DA 7 H8 DA 7 17.016 30.372 33.656 78 H61 DA 7 H61 DA 7 21.578 27.592 30.513 79 H62 DA 7 H62 DA 7 20.120 28.566 30.357 80 H2 DA 7 H2 DA 7 22.692 27.482 34.714 81 H5' DC 8 H5' DC 8 19.933 30.352 39.251 82 H5'' DC 8 H5'' DC 8 20.544 31.414 40.525 83 H4' DC 8 H4' DC 8 22.358 30.401 39.283 84 H3' DC 8 H3' DC 8 22.133 33.197 39.650 85 H2' DC 8 H2' DC 8 21.940 33.716 37.405 86 H2'' DC 8 H2'' DC 8 23.716 33.499 37.426 87 H1' DC 8 H1' DC 8 23.599 31.270 36.688 88 H41 DC 8 H41 DC 8 21.014 31.501 30.902 89 H42 DC 8 H42 DC 8 19.615 32.379 31.478 90 H5 DC 8 H5 DC 8 19.321 33.026 33.782 91 H6 DC 8 H6 DC 8 20.355 32.995 36.002 92 H5' DA 9 H5' DA 9 26.439 31.997 38.477 93 H5'' DA 9 H5'' DA 9 27.681 33.058 39.133 94 H4' DA 9 H4' DA 9 27.871 32.749 36.720 95 H3' DA 9 H3' DA 9 27.932 35.291 37.958 96 H2' DA 9 H2' DA 9 25.906 35.969 37.032 97 H2'' DA 9 H2'' DA 9 26.958 36.463 35.679 98 H1' DA 9 H1' DA 9 26.624 34.347 34.533 99 H8 DA 9 H8 DA 9 23.724 35.730 36.747 100 H61 DA 9 H61 DA 9 20.418 35.328 31.458 101 H62 DA 9 H62 DA 9 20.323 35.857 33.138 102 H2 DA 9 H2 DA 9 24.290 33.636 30.682 103 H5' DT 10 H5' DT 10 29.069 34.660 33.489 104 H5'' DT 10 H5'' DT 10 30.525 35.578 33.099 105 H4' DT 10 H4' DT 10 29.192 35.575 31.153 106 H3' DT 10 H3' DT 10 28.767 38.224 32.576 107 H2' DT 10 H2' DT 10 27.685 38.864 30.531 108 H2'' DT 10 H2'' DT 10 28.439 37.528 29.628 109 H1' DT 10 H1' DT 10 26.663 36.260 30.090 110 H3 DT 10 H3 DT 10 22.715 38.258 30.115 111 H71 DT 10 H71 DT 10 22.956 38.214 34.882 112 H72 DT 10 H72 DT 10 24.706 38.280 35.188 113 H73 DT 10 H73 DT 10 23.815 39.730 34.658 114 H6 DT 10 H6 DT 10 26.155 37.712 33.448 115 H5' DC 11 H5' DC 11 30.559 39.224 28.841 116 H5'' DC 11 H5'' DC 11 31.675 40.589 28.982 117 H4' DC 11 H4' DC 11 29.924 41.068 27.348 118 H3' DC 11 H3' DC 11 30.583 42.870 29.398 119 H2' DC 11 H2' DC 11 28.707 42.287 30.710 120 H2'' DC 11 H2'' DC 11 28.054 43.681 29.805 121 H1' DC 11 H1' DC 11 27.232 42.241 28.014 122 H41 DC 11 H41 DC 11 22.889 41.621 32.773 123 H42 DC 11 H42 DC 11 22.068 41.763 31.209 124 H5 DC 11 H5 DC 11 25.264 41.122 32.880 125 H6 DC 11 H6 DC 11 27.298 40.941 31.545 126 H5' DG 12 H5' DG 12 30.006 42.529 25.249 127 H5'' DG 12 H5'' DG 12 30.373 43.544 23.862 128 H4' DG 12 H4' DG 12 28.166 42.560 23.647 129 H3' DG 12 H3' DG 12 28.657 45.298 23.291 130 HO3' DG 12 HO3' DG 12 26.637 45.191 22.090 131 H2' DG 12 H2' DG 12 27.661 45.887 25.395 132 H2'' DG 12 H2'' DG 12 26.259 46.065 24.293 133 H1' DG 12 H1' DG 12 25.571 43.777 24.693 134 H8 DG 12 H8 DG 12 27.447 44.998 27.891 135 H1 DG 12 H1 DG 12 21.028 44.457 28.356 136 H21 DG 12 H21 DG 12 20.198 44.104 26.339 137 H22 DG 12 H22 DG 12 21.274 43.841 24.966 138 H5 DCZ 13 H5 DC 13 17.589 43.346 32.001 139 H6 DCZ 13 H6 DC 13 15.742 43.285 30.381 140 HN41 DCZ 13 H41 DC 13 20.966 44.326 30.884 141 HN42 DCZ 13 H42 DC 13 19.956 43.878 32.264 142 H1' DCZ 13 H1' DC 13 16.129 44.694 26.988 143 H2'1 DCZ 13 H2' DC 13 15.507 41.842 27.831 144 H2'2 DCZ 13 H2'' DC 13 16.281 42.407 26.313 145 H3' DCZ 13 H3' DC 13 13.606 42.014 26.354 146 H4' DCZ 13 H4' DC 13 12.918 44.528 27.235 147 H5'1 DCZ 13 H5' DC 13 12.276 43.584 29.395 148 H5'2 DCZ 13 H5'' DC 13 11.838 42.517 28.062 149 HO51 DCZ 13 HO5' DC 13 12.752 41.359 29.864 150 H5' DG 14 H5' DG 14 16.430 42.050 22.384 151 H5'' DG 14 H5'' DG 14 15.047 40.986 22.064 152 H4' DG 14 H4' DG 14 17.130 39.691 22.312 153 H3' DG 14 H3' DG 14 14.698 39.105 23.652 154 H2' DG 14 H2' DG 14 15.530 39.847 25.729 155 H2'' DG 14 H2'' DG 14 15.957 38.104 25.804 156 H1' DG 14 H1' DG 14 18.175 38.573 24.838 157 H8 DG 14 H8 DG 14 16.412 39.682 27.813 158 H1 DG 14 H1 DG 14 22.624 41.280 28.263 159 H21 DG 14 H21 DG 14 22.714 40.532 24.899 160 H22 DG 14 H22 DG 14 23.598 41.071 26.330 161 H5' DA 15 H5' DA 15 17.927 37.522 20.942 162 H5'' DA 15 H5'' DA 15 18.176 35.969 20.147 163 H4' DA 15 H4' DA 15 20.004 36.356 21.650 164 H3' DA 15 H3' DA 15 18.069 34.215 22.542 165 H2' DA 15 H2' DA 15 19.049 34.083 24.570 166 H2'' DA 15 H2'' DA 15 20.696 34.258 23.909 167 H1' DA 15 H1' DA 15 20.772 36.472 24.144 168 H8 DA 15 H8 DA 15 17.194 35.937 25.646 169 H61 DA 15 H61 DA 15 20.202 37.798 30.873 170 H62 DA 15 H62 DA 15 18.591 37.359 30.300 171 H2 DA 15 H2 DA 15 23.076 37.512 27.716 172 H5' DT 16 H5' DT 16 22.537 33.649 21.851 173 H5'' DT 16 H5'' DT 16 23.088 31.993 21.564 174 H4' DT 16 H4' DT 16 24.581 33.223 23.094 175 H3' DT 16 H3' DT 16 23.074 30.855 24.215 176 H2' DT 16 H2' DT 16 23.974 31.277 26.345 177 H2'' DT 16 H2'' DT 16 25.391 32.120 25.678 178 H1' DT 16 H1' DT 16 24.367 34.078 26.041 179 H3 DT 16 H3 DT 16 21.835 34.404 29.728 180 H71 DT 16 H71 DT 16 18.109 33.205 26.865 181 H72 DT 16 H72 DT 16 18.868 31.946 25.861 182 H73 DT 16 H73 DT 16 18.524 31.644 27.580 183 H6 DT 16 H6 DT 16 21.113 32.351 25.427 184 H5' DG 17 H5' DG 17 27.400 30.012 24.995 185 H5'' DG 17 H5'' DG 17 27.906 28.803 23.816 186 H4' DG 17 H4' DG 17 29.021 28.387 25.840 187 H3' DG 17 H3' DG 17 27.680 26.316 24.650 188 H2' DG 17 H2' DG 17 25.747 26.241 25.872 189 H2'' DG 17 H2'' DG 17 26.695 25.359 27.072 190 H1' DG 17 H1' DG 17 26.753 27.100 28.521 191 H8 DG 17 H8 DG 17 24.138 27.718 25.731 192 H1 DG 17 H1 DG 17 22.928 30.651 31.353 193 H21 DG 17 H21 DG 17 24.553 30.138 32.774 194 H22 DG 17 H22 DG 17 25.964 29.239 32.209 195 H5' DT 18 H5' DT 18 29.947 26.714 28.498 196 H5'' DT 18 H5'' DT 18 31.094 25.428 28.870 197 H4' DT 18 H4' DT 18 30.384 26.644 30.862 198 H3' DT 18 H3' DT 18 30.390 23.842 30.678 199 H2' DT 18 H2' DT 18 28.091 23.533 30.743 200 H2'' DT 18 H2'' DT 18 28.334 23.703 32.506 201 H1' DT 18 H1' DT 18 27.812 25.988 32.515 202 H3 DT 18 H3 DT 18 23.453 26.983 31.893 203 H71 DT 18 H71 DT 18 23.976 25.178 27.385 204 H72 DT 18 H72 DT 18 25.027 23.788 27.762 205 H73 DT 18 H73 DT 18 23.346 23.825 28.325 206 H6 DT 18 H6 DT 18 26.588 24.291 29.398 207 H5' DA 19 H5' DA 19 29.984 24.865 35.344 208 H5'' DA 19 H5'' DA 19 30.709 23.553 36.274 209 H4' DA 19 H4' DA 19 28.422 24.106 36.941 210 H3' DA 19 H3' DA 19 29.107 21.358 36.241 211 H2' DA 19 H2' DA 19 27.206 21.047 35.006 212 H2'' DA 19 H2'' DA 19 26.303 21.171 36.534 213 H1' DA 19 H1' DA 19 25.871 23.477 36.272 214 H8 DA 19 H8 DA 19 26.878 21.934 32.844 215 H61 DA 19 H61 DA 19 21.418 24.178 30.893 216 H62 DA 19 H62 DA 19 22.762 23.132 30.459 217 H2 DA 19 H2 DA 19 21.733 25.088 35.133 218 H5' DC 20 H5' DC 20 26.025 22.720 39.307 219 H5'' DC 20 H5'' DC 20 25.780 21.724 40.739 220 H4' DC 20 H4' DC 20 23.697 22.674 39.836 221 H3' DC 20 H3' DC 20 24.005 19.975 40.582 222 H2' DC 20 H2' DC 20 23.848 19.155 38.385 223 H2'' DC 20 H2'' DC 20 22.101 19.210 38.772 224 H1' DC 20 H1' DC 20 21.873 21.425 37.875 225 H41 DC 20 H41 DC 20 22.446 20.428 31.653 226 H42 DC 20 H42 DC 20 24.020 19.686 31.844 227 H5 DC 20 H5 DC 20 25.027 19.240 33.985 228 H6 DC 20 H6 DC 20 24.778 19.557 36.396 229 H5' DA 21 H5' DA 21 19.400 20.812 40.102 230 H5'' DA 21 H5'' DA 21 18.451 19.795 41.183 231 H4' DA 21 H4' DA 21 17.760 19.599 38.860 232 H3' DA 21 H3' DA 21 18.590 17.211 40.313 233 H2' DA 21 H2' DA 21 19.747 16.376 38.535 234 H2'' DA 21 H2'' DA 21 18.176 16.186 37.704 235 H1' DA 21 H1' DA 21 18.326 18.307 36.656 236 H8 DA 21 H8 DA 21 21.886 17.010 37.650 237 H61 DA 21 H61 DA 21 22.743 17.151 31.424 238 H62 DA 21 H62 DA 21 23.522 16.626 32.923 239 H2 DA 21 H2 DA 21 18.831 18.693 32.231 240 H5' DT 22 H5' DT 22 14.545 17.154 37.381 241 H5'' DT 22 H5'' DT 22 13.592 15.767 37.914 242 H4' DT 22 H4' DT 22 13.557 15.888 35.506 243 H3' DT 22 H3' DT 22 15.375 13.657 36.492 244 H2' DT 22 H2' DT 22 15.651 13.064 34.213 245 H2'' DT 22 H2'' DT 22 14.159 13.912 33.718 246 H1' DT 22 H1' DT 22 15.343 15.714 33.220 247 H3 DT 22 H3 DT 22 19.392 14.794 31.452 248 H71 DT 22 H71 DT 22 19.916 14.596 36.817 249 H72 DT 22 H72 DT 22 20.178 12.980 36.120 250 H73 DT 22 H73 DT 22 21.282 14.304 35.730 251 H6 DT 22 H6 DT 22 17.642 14.639 35.943 252 H5' DC 23 H5' DC 23 12.546 12.365 33.574 253 H5'' DC 23 H5'' DC 23 11.956 10.717 33.751 254 H4' DC 23 H4' DC 23 12.865 11.232 31.503 255 H3' DC 23 H3' DC 23 13.353 8.862 32.948 256 H2' DC 23 H2' DC 23 15.586 9.456 33.423 257 H2'' DC 23 H2'' DC 23 15.834 8.563 31.900 258 H1' DC 23 H1' DC 23 15.605 10.593 30.582 259 H41 DC 23 H41 DC 23 21.533 11.263 33.339 260 H42 DC 23 H42 DC 23 21.660 11.304 31.574 261 H5 DC 23 H5 DC 23 19.367 11.223 34.450 262 H6 DC 23 H6 DC 23 16.955 11.090 34.065 263 H5' DG 24 H5' DG 24 15.040 9.520 28.574 264 H5'' DG 24 H5'' DG 24 14.259 8.233 27.654 265 H4' DG 24 H4' DG 24 16.293 8.807 26.551 266 H3' DG 24 H3' DG 24 15.738 6.170 27.269 267 HO3' DG 24 HO3' DG 24 17.252 5.658 25.618 268 H2' DG 24 H2' DG 24 17.220 6.177 29.144 269 H2'' DG 24 H2'' DG 24 18.315 5.553 27.869 270 H1' DG 24 H1' DG 24 19.143 7.756 27.376 271 H8 DG 24 H8 DG 24 17.817 7.899 31.044 272 H1 DG 24 H1 DG 24 24.225 7.902 30.304 273 H21 DG 24 H21 DG 24 24.682 7.421 28.190 274 H22 DG 24 H22 DG 24 23.390 7.367 26.991 275 H85 9U2 100 H85 PA7 25 11.930 23.366 36.781 276 H83 9U2 100 H83 PA7 25 15.785 22.188 33.654 277 H882 9U2 100 H882 PA7 25 13.066 26.154 37.227 278 H883 9U2 100 H883 PA7 25 11.447 25.614 37.688 279 H881 9U2 100 H881 PA7 25 11.929 25.598 35.994 280 H992 9U2 100 H992 PA7 25 12.034 23.839 39.220 281 H993 9U2 100 H993 PA7 25 13.799 23.843 39.136 282 H991 9U2 100 H991 PA7 25 12.891 22.399 38.694 283 H PYB 101 HN7 PA7 25 17.567 24.998 36.230 284 HB1 PYB 101 H73 PA7 25 19.826 26.399 36.641 285 HB PYB 101 H75 PA7 25 16.769 26.527 39.724 286 HD1 PYB 101 H771 PA7 25 19.446 27.570 41.584 287 HD2 PYB 101 H772 PA7 25 19.016 29.108 40.777 288 HD3 PYB 101 H773 PA7 25 17.736 28.010 41.342 289 H PYB 102 HN6 PA7 25 21.603 27.847 36.971 290 HB1 PYB 102 H63 PA7 25 23.861 28.988 35.933 291 HB PYB 102 H65 PA7 25 23.869 27.953 40.140 292 HD1 PYB 102 H661 PA7 25 26.583 29.941 40.144 293 HD2 PYB 102 H662 PA7 25 27.392 28.515 39.428 294 HD3 PYB 102 H663 PA7 25 26.195 28.294 40.720 295 H PYB 103 HN5 PA7 25 25.442 30.282 35.282 296 HB1 PYB 103 H53 PA7 25 25.984 31.796 33.258 297 HB PYB 103 H55 PA7 25 29.335 30.617 35.740 298 HD1 PYB 103 H551 PA7 25 30.972 31.675 32.726 299 HD2 PYB 103 H552 PA7 25 31.227 31.551 34.484 300 HD3 PYB 103 H553 PA7 25 30.807 33.125 33.758 301 H ABU 104 HN9 PA7 25 26.320 32.948 31.713 302 HA1 ABU 104 H942 PA7 25 26.277 34.289 29.697 303 HA2 ABU 104 H943 PA7 25 27.917 33.757 29.276 304 HB1 ABU 104 H931 PA7 25 25.748 32.743 28.097 305 HB2 ABU 104 H932 PA7 25 25.622 31.744 29.524 306 HG1 ABU 104 H921 PA7 25 27.887 31.859 27.453 307 HG2 ABU 104 H922 PA7 25 26.758 30.560 27.751 308 H IMT 105 HN4 PA7 25 26.901 29.836 30.236 309 HB IMT 105 H44 PA7 25 30.712 29.786 30.803 310 HD1 IMT 105 H441 PA7 25 32.303 28.890 32.459 311 HD2 IMT 105 H442 PA7 25 31.666 29.040 34.119 312 HD3 IMT 105 H443 PA7 25 31.710 27.440 33.316 313 H PYB 106 HN3 PA7 25 26.898 27.397 34.175 314 HB1 PYB 106 H33 PA7 25 25.111 26.202 35.718 315 HB PYB 106 H35 PA7 25 29.043 26.903 37.418 316 HD1 PYB 106 H331 PA7 25 28.891 25.684 39.514 317 HD2 PYB 106 H332 PA7 25 27.344 26.065 40.318 318 HD3 PYB 106 H333 PA7 25 27.618 24.443 39.615 319 H PYB 107 HN2 PA7 25 23.731 24.925 36.908 320 HB1 PYB 107 H23 PA7 25 21.334 23.667 36.898 321 HB PYB 107 H25 PA7 25 22.687 25.421 40.622 322 HD1 PYB 107 H221 PA7 25 19.974 23.589 41.774 323 HD2 PYB 107 H222 PA7 25 20.732 25.187 42.027 324 HD3 PYB 107 H223 PA7 25 19.170 25.071 41.180 325 H PYB 108 HN1 PA7 25 19.628 22.367 37.015 326 HB1 PYB 108 H13 PA7 25 18.379 20.603 35.509 327 HB PYB 108 H15 PA7 25 16.216 22.115 38.949 328 HD1 PYB 108 H111 PA7 25 13.594 20.637 37.302 329 HD2 PYB 108 H112 PA7 25 14.366 19.157 37.938 330 HD3 PYB 108 H113 PA7 25 14.281 20.608 38.956 331 H006 9T8 109 H006 PA7 25 10.746 18.064 26.326 332 H004 9T8 109 H004 PA7 25 11.334 19.175 25.057 333 H005 9T8 109 H005 PA7 25 11.494 19.623 26.776 334 HN02 9T8 109 HN02 PA7 25 16.501 17.866 29.892 335 H031 9T8 109 H031 PA7 25 12.333 17.058 27.880 336 H032 9T8 109 H032 PA7 25 13.239 18.545 28.168 337 H052 9T8 109 H052 PA7 25 15.663 15.847 29.206 338 H051 9T8 109 H051 PA7 25 14.047 16.289 29.760 339 H072 9T8 109 H072 PA7 25 15.038 20.252 32.047 340 H071 9T8 109 H071 PA7 25 16.540 19.769 31.252 341 H042 9T8 109 H042 PA7 25 15.279 17.301 27.124 342 H041 9T8 109 H041 PA7 25 14.317 15.843 27.254 343 HN01 9T8 109 HN01 PA7 25 13.609 18.846 25.802 344 H001 9T8 109 H001 PA7 25 12.652 17.337 24.116 345 H002 9T8 109 H002 PA7 25 12.164 16.213 25.415 346 H003 9T8 109 H003 PA7 25 13.895 16.510 25.087 347 H1 9T8 109 HN03 PA7 25 17.398 19.409 34.160 348 H081 9T8 109 H081 PA7 25 16.685 17.726 32.591 349 H082 9T8 109 H082 PA7 25 15.017 17.906 33.155 Start of MODEL 6 1 H5 DCZ 1 H5 DC 1 28.040 9.901 31.218 2 H6 DCZ 1 H6 DC 1 29.112 9.334 29.079 3 HN41 DCZ 1 H41 DC 1 24.613 8.694 31.908 4 HN42 DCZ 1 H42 DC 1 25.983 9.624 32.527 5 H1' DCZ 1 H1' DC 1 27.492 7.075 26.594 6 H2'1 DCZ 1 H2' DC 1 27.251 9.925 26.579 7 H2'2 DCZ 1 H2'' DC 1 27.368 8.810 25.189 8 H3' DCZ 1 H3' DC 1 29.533 10.396 26.586 9 H4' DCZ 1 H4' DC 1 30.066 7.765 25.181 10 H5'1 DCZ 1 H5' DC 1 32.035 7.669 26.640 11 H5'2 DCZ 1 H5'' DC 1 32.031 9.165 25.695 12 HO51 DCZ 1 HO5' DC 1 32.585 9.458 27.982 13 H5' DG 2 H5' DG 2 26.844 9.419 23.003 14 H5'' DG 2 H5'' DG 2 27.298 10.670 21.848 15 H4' DG 2 H4' DG 2 25.004 10.181 21.516 16 H3' DG 2 H3' DG 2 25.912 12.748 21.934 17 H2' DG 2 H2' DG 2 25.225 12.967 24.152 18 H2'' DG 2 H2'' DG 2 23.730 13.530 23.384 19 H1' DG 2 H1' DG 2 22.635 11.464 23.663 20 H8 DG 2 H8 DG 2 25.830 11.428 25.861 21 H1 DG 2 H1 DG 2 20.325 11.190 29.198 22 H21 DG 2 H21 DG 2 18.861 11.222 26.081 23 H22 DG 2 H22 DG 2 18.626 11.199 27.830 24 H5' DA 3 H5' DA 3 21.367 12.934 21.253 25 H5'' DA 3 H5'' DA 3 20.875 14.389 20.377 26 H4' DA 3 H4' DA 3 19.551 14.213 22.376 27 H3' DA 3 H3' DA 3 21.728 16.311 22.708 28 H2' DA 3 H2' DA 3 20.846 16.740 24.797 29 H2'' DA 3 H2'' DA 3 19.197 16.218 24.336 30 H1' DA 3 H1' DA 3 19.525 14.139 25.015 31 H8 DA 3 H8 DA 3 23.346 14.719 25.286 32 H61 DA 3 H61 DA 3 22.104 14.539 31.441 33 H62 DA 3 H62 DA 3 23.431 14.591 30.278 34 H2 DA 3 H2 DA 3 18.336 14.582 29.343 35 H5' DT 4 H5' DT 4 17.473 17.643 23.251 36 H5'' DT 4 H5'' DT 4 17.242 19.384 23.071 37 H4' DT 4 H4' DT 4 16.267 18.486 25.139 38 H3' DT 4 H3' DT 4 18.665 20.266 25.690 39 H2' DT 4 H2' DT 4 17.820 20.230 27.978 40 H2'' DT 4 H2'' DT 4 16.305 19.461 27.468 41 H1' DT 4 H1' DT 4 17.431 17.512 27.885 42 H3 DT 4 H3 DT 4 20.891 17.905 30.703 43 H71 DT 4 H71 DT 4 23.711 17.598 26.902 44 H72 DT 4 H72 DT 4 22.690 18.194 25.581 45 H73 DT 4 H73 DT 4 23.448 19.337 26.724 46 H6 DT 4 H6 DT 4 20.390 18.524 25.957 47 H5' DG 5 H5' DG 5 14.032 20.521 28.163 48 H5'' DG 5 H5'' DG 5 13.159 21.880 27.450 49 H4' DG 5 H4' DG 5 13.239 21.936 29.930 50 H3' DG 5 H3' DG 5 13.418 24.165 28.382 51 H2' DG 5 H2' DG 5 15.794 24.074 28.059 52 H2'' DG 5 H2'' DG 5 15.642 25.238 29.399 53 H1' DG 5 H1' DG 5 16.049 23.625 31.058 54 H8 DG 5 H8 DG 5 17.724 23.012 27.613 55 H1 DG 5 H1 DG 5 21.082 21.143 32.800 56 H21 DG 5 H21 DG 5 20.019 21.845 34.587 57 H22 DG 5 H22 DG 5 18.449 22.620 34.429 58 H5' DT 6 H5' DT 6 12.457 23.906 33.333 59 H5'' DT 6 H5'' DT 6 11.555 25.206 34.100 60 H4' DT 6 H4' DT 6 13.718 25.238 35.015 61 H3' DT 6 H3' DT 6 13.481 27.478 33.003 62 H2' DT 6 H2' DT 6 15.676 28.013 33.447 63 H2'' DT 6 H2'' DT 6 15.568 27.496 35.154 64 H1' DT 6 H1' DT 6 16.178 25.464 34.809 65 H3 DT 6 H3 DT 6 20.199 24.897 32.970 66 H71 DT 6 H71 DT 6 16.966 27.242 29.245 67 H72 DT 6 H72 DT 6 18.723 27.473 29.231 68 H73 DT 6 H73 DT 6 18.043 25.936 28.687 69 H6 DT 6 H6 DT 6 16.072 26.810 31.344 70 H5' DA 7 H5' DA 7 14.583 28.046 37.279 71 H5'' DA 7 H5'' DA 7 14.187 29.600 38.013 72 H4' DA 7 H4' DA 7 16.429 28.789 38.619 73 H3' DA 7 H3' DA 7 15.873 31.418 37.758 74 H2' DA 7 H2' DA 7 16.992 31.228 35.737 75 H2'' DA 7 H2'' DA 7 18.399 31.676 36.733 76 H1' DA 7 H1' DA 7 19.057 29.387 37.047 77 H8 DA 7 H8 DA 7 16.868 29.980 33.883 78 H61 DA 7 H61 DA 7 21.672 27.583 30.769 79 H62 DA 7 H62 DA 7 20.163 28.470 30.590 80 H2 DA 7 H2 DA 7 22.742 27.531 34.972 81 H5' DC 8 H5' DC 8 19.987 30.343 39.445 82 H5'' DC 8 H5'' DC 8 20.520 31.481 40.689 83 H4' DC 8 H4' DC 8 22.411 30.602 39.455 84 H3' DC 8 H3' DC 8 21.886 33.409 39.673 85 H2' DC 8 H2' DC 8 21.812 33.829 37.421 86 H2'' DC 8 H2'' DC 8 23.589 33.653 37.500 87 H1' DC 8 H1' DC 8 23.564 31.416 36.837 88 H41 DC 8 H41 DC 8 20.945 31.339 31.052 89 H42 DC 8 H42 DC 8 19.497 32.139 31.625 90 H5 DC 8 H5 DC 8 19.198 32.871 33.890 91 H6 DC 8 H6 DC 8 20.235 32.958 36.107 92 H5' DA 9 H5' DA 9 26.268 32.300 38.747 93 H5'' DA 9 H5'' DA 9 27.477 33.426 39.362 94 H4' DA 9 H4' DA 9 27.796 32.812 36.999 95 H3' DA 9 H3' DA 9 27.993 35.427 37.974 96 H2' DA 9 H2' DA 9 25.963 36.126 37.026 97 H2'' DA 9 H2'' DA 9 27.038 36.506 35.654 98 H1' DA 9 H1' DA 9 26.621 34.363 34.611 99 H8 DA 9 H8 DA 9 23.758 35.868 36.791 100 H61 DA 9 H61 DA 9 20.363 35.186 31.586 101 H62 DA 9 H62 DA 9 20.294 35.797 33.243 102 H2 DA 9 H2 DA 9 24.238 33.479 30.830 103 H5' DT 10 H5' DT 10 29.169 34.715 33.463 104 H5'' DT 10 H5'' DT 10 30.597 35.674 33.068 105 H4' DT 10 H4' DT 10 29.211 35.770 31.172 106 H3' DT 10 H3' DT 10 28.699 38.295 32.787 107 H2' DT 10 H2' DT 10 27.567 39.038 30.808 108 H2'' DT 10 H2'' DT 10 28.357 37.800 29.798 109 H1' DT 10 H1' DT 10 26.642 36.416 30.214 110 H3 DT 10 H3 DT 10 22.576 38.136 30.495 111 H71 DT 10 H71 DT 10 23.081 38.266 35.245 112 H72 DT 10 H72 DT 10 24.846 38.346 35.449 113 H73 DT 10 H73 DT 10 23.922 39.776 34.924 114 H6 DT 10 H6 DT 10 26.229 37.820 33.634 115 H5' DC 11 H5' DC 11 30.574 39.554 29.077 116 H5'' DC 11 H5'' DC 11 31.675 40.916 29.338 117 H4' DC 11 H4' DC 11 30.012 41.420 27.604 118 H3' DC 11 H3' DC 11 30.618 43.143 29.740 119 H2' DC 11 H2' DC 11 28.687 42.727 30.938 120 H2'' DC 11 H2'' DC 11 28.086 44.071 29.936 121 H1' DC 11 H1' DC 11 27.215 42.598 28.255 122 H41 DC 11 H41 DC 11 22.941 41.334 33.005 123 H42 DC 11 H42 DC 11 22.103 41.369 31.448 124 H5 DC 11 H5 DC 11 25.368 41.172 33.116 125 H6 DC 11 H6 DC 11 27.409 41.320 31.793 126 H5' DG 12 H5' DG 12 30.486 43.196 25.337 127 H5'' DG 12 H5'' DG 12 31.251 44.383 24.277 128 H4' DG 12 H4' DG 12 29.130 43.791 23.339 129 H3' DG 12 H3' DG 12 29.709 46.471 23.870 130 HO3' DG 12 HO3' DG 12 28.077 46.880 22.303 131 H2' DG 12 H2' DG 12 28.361 46.573 25.828 132 H2'' DG 12 H2'' DG 12 27.169 47.103 24.601 133 H1' DG 12 H1' DG 12 26.334 44.868 24.307 134 H8 DG 12 H8 DG 12 27.770 45.606 27.861 135 H1 DG 12 H1 DG 12 21.551 43.904 27.621 136 H21 DG 12 H21 DG 12 20.999 43.496 25.528 137 H22 DG 12 H22 DG 12 22.216 43.520 24.249 138 H5 DCZ 13 H5 DC 13 17.647 43.922 31.074 139 H6 DCZ 13 H6 DC 13 16.021 43.968 29.239 140 HN41 DCZ 13 H41 DC 13 21.248 44.001 30.297 141 HN42 DCZ 13 H42 DC 13 20.029 44.013 31.582 142 H1' DCZ 13 H1' DC 13 17.075 44.601 25.759 143 H2'1 DCZ 13 H2' DC 13 15.837 42.102 26.942 144 H2'2 DCZ 13 H2'' DC 13 16.671 42.329 25.376 145 H3' DCZ 13 H3' DC 13 13.967 42.402 25.485 146 H4' DCZ 13 H4' DC 13 13.733 45.103 25.852 147 H5'1 DCZ 13 H5' DC 13 13.075 44.751 28.183 148 H5'2 DCZ 13 H5'' DC 13 12.354 43.568 27.099 149 HO51 DCZ 13 HO5' DC 13 13.620 41.963 27.970 150 H5' DG 14 H5' DG 14 17.080 42.149 22.576 151 H5'' DG 14 H5'' DG 14 16.302 41.083 21.397 152 H4' DG 14 H4' DG 14 17.858 39.670 22.339 153 H3' DG 14 H3' DG 14 15.190 39.094 23.249 154 H2' DG 14 H2' DG 14 15.736 39.757 25.440 155 H2'' DG 14 H2'' DG 14 16.181 38.021 25.513 156 H1' DG 14 H1' DG 14 18.496 38.574 24.818 157 H8 DG 14 H8 DG 14 16.406 39.721 27.646 158 H1 DG 14 H1 DG 14 22.649 40.888 28.725 159 H21 DG 14 H21 DG 14 22.979 40.243 25.356 160 H22 DG 14 H22 DG 14 23.767 40.743 26.855 161 H5' DA 15 H5' DA 15 18.784 37.694 20.942 162 H5'' DA 15 H5'' DA 15 19.156 36.193 20.094 163 H4' DA 15 H4' DA 15 20.719 36.416 21.876 164 H3' DA 15 H3' DA 15 18.589 34.330 22.409 165 H2' DA 15 H2' DA 15 19.382 34.016 24.506 166 H2'' DA 15 H2'' DA 15 21.084 34.217 24.014 167 H1' DA 15 H1' DA 15 21.143 36.404 24.426 168 H8 DA 15 H8 DA 15 17.389 35.930 25.435 169 H61 DA 15 H61 DA 15 19.782 37.490 31.064 170 H62 DA 15 H62 DA 15 18.235 37.161 30.279 171 H2 DA 15 H2 DA 15 23.019 37.037 28.308 172 H5' DT 16 H5' DT 16 23.055 33.704 21.989 173 H5'' DT 16 H5'' DT 16 23.626 32.062 21.664 174 H4' DT 16 H4' DT 16 25.011 33.214 23.354 175 H3' DT 16 H3' DT 16 23.397 30.823 24.272 176 H2' DT 16 H2' DT 16 24.248 31.124 26.458 177 H2'' DT 16 H2'' DT 16 25.667 32.020 25.870 178 H1' DT 16 H1' DT 16 24.590 33.935 26.309 179 H3 DT 16 H3 DT 16 21.822 34.151 29.819 180 H71 DT 16 H71 DT 16 18.306 32.996 26.703 181 H72 DT 16 H72 DT 16 19.127 31.771 25.708 182 H73 DT 16 H73 DT 16 18.678 31.413 27.392 183 H6 DT 16 H6 DT 16 21.402 32.185 25.433 184 H5' DG 17 H5' DG 17 27.657 29.947 25.341 185 H5'' DG 17 H5'' DG 17 28.204 28.755 24.163 186 H4' DG 17 H4' DG 17 29.216 28.242 26.207 187 H3' DG 17 H3' DG 17 27.775 26.273 24.931 188 H2' DG 17 H2' DG 17 25.859 26.188 26.143 189 H2'' DG 17 H2'' DG 17 26.776 25.310 27.364 190 H1' DG 17 H1' DG 17 26.811 27.047 28.803 191 H8 DG 17 H8 DG 17 24.318 27.704 25.920 192 H1 DG 17 H1 DG 17 22.926 30.614 31.514 193 H21 DG 17 H21 DG 17 24.562 30.191 32.954 194 H22 DG 17 H22 DG 17 25.998 29.311 32.421 195 H5' DT 18 H5' DT 18 30.051 26.636 28.687 196 H5'' DT 18 H5'' DT 18 31.177 25.341 29.090 197 H4' DT 18 H4' DT 18 30.543 26.682 31.031 198 H3' DT 18 H3' DT 18 30.568 23.890 31.001 199 H2' DT 18 H2' DT 18 28.263 23.568 31.059 200 H2'' DT 18 H2'' DT 18 28.513 23.776 32.817 201 H1' DT 18 H1' DT 18 27.963 26.054 32.781 202 H3 DT 18 H3 DT 18 23.598 27.013 32.155 203 H71 DT 18 H71 DT 18 24.104 25.092 27.691 204 H72 DT 18 H72 DT 18 25.160 23.715 28.105 205 H73 DT 18 H73 DT 18 23.483 23.767 28.676 206 H6 DT 18 H6 DT 18 26.733 24.276 29.709 207 H5' DA 19 H5' DA 19 30.114 25.099 35.592 208 H5'' DA 19 H5'' DA 19 30.899 23.862 36.575 209 H4' DA 19 H4' DA 19 28.605 24.276 37.250 210 H3' DA 19 H3' DA 19 29.412 21.573 36.497 211 H2' DA 19 H2' DA 19 27.539 21.227 35.232 212 H2'' DA 19 H2'' DA 19 26.632 21.217 36.762 213 H1' DA 19 H1' DA 19 26.092 23.530 36.622 214 H8 DA 19 H8 DA 19 27.035 22.070 33.140 215 H61 DA 19 H61 DA 19 21.520 24.258 31.338 216 H62 DA 19 H62 DA 19 22.872 23.235 30.875 217 H2 DA 19 H2 DA 19 21.891 25.100 35.596 218 H5' DC 20 H5' DC 20 26.260 22.822 39.454 219 H5'' DC 20 H5'' DC 20 26.083 21.876 40.931 220 H4' DC 20 H4' DC 20 23.937 22.679 40.087 221 H3' DC 20 H3' DC 20 24.403 20.004 40.811 222 H2' DC 20 H2' DC 20 24.283 19.187 38.613 223 H2'' DC 20 H2'' DC 20 22.542 19.111 39.019 224 H1' DC 20 H1' DC 20 22.140 21.310 38.133 225 H41 DC 20 H41 DC 20 22.809 20.425 31.880 226 H42 DC 20 H42 DC 20 24.398 19.731 32.098 227 H5 DC 20 H5 DC 20 25.394 19.308 34.227 228 H6 DC 20 H6 DC 20 25.127 19.602 36.635 229 H5' DA 21 H5' DA 21 19.689 20.573 40.507 230 H5'' DA 21 H5'' DA 21 18.859 19.419 41.550 231 H4' DA 21 H4' DA 21 18.159 19.383 39.184 232 H3' DA 21 H3' DA 21 19.072 16.899 40.483 233 H2' DA 21 H2' DA 21 19.933 16.072 38.544 234 H2'' DA 21 H2'' DA 21 18.315 16.191 37.790 235 H1' DA 21 H1' DA 21 18.696 18.315 36.925 236 H8 DA 21 H8 DA 21 22.230 16.892 37.831 237 H61 DA 21 H61 DA 21 22.990 17.220 31.598 238 H62 DA 21 H62 DA 21 23.788 16.651 33.068 239 H2 DA 21 H2 DA 21 19.086 18.737 32.519 240 H5' DT 22 H5' DT 22 15.176 17.133 37.782 241 H5'' DT 22 H5'' DT 22 13.969 15.921 38.232 242 H4' DT 22 H4' DT 22 14.120 16.172 35.810 243 H3' DT 22 H3' DT 22 15.116 13.575 36.958 244 H2' DT 22 H2' DT 22 16.174 13.009 35.025 245 H2'' DT 22 H2'' DT 22 14.852 13.632 34.005 246 H1' DT 22 H1' DT 22 15.762 15.641 33.712 247 H3 DT 22 H3 DT 22 19.754 14.908 31.707 248 H71 DT 22 H71 DT 22 20.816 14.509 36.854 249 H72 DT 22 H72 DT 22 20.354 12.827 36.487 250 H73 DT 22 H73 DT 22 21.763 13.559 35.702 251 H6 DT 22 H6 DT 22 18.171 14.319 36.222 252 H5' DC 23 H5' DC 23 12.726 12.970 33.247 253 H5'' DC 23 H5'' DC 23 11.748 11.503 33.332 254 H4' DC 23 H4' DC 23 13.043 11.525 31.294 255 H3' DC 23 H3' DC 23 13.384 9.382 33.261 256 H2' DC 23 H2' DC 23 15.653 9.437 33.163 257 H2'' DC 23 H2'' DC 23 15.496 8.711 31.549 258 H1' DC 23 H1' DC 23 15.524 10.822 30.441 259 H41 DC 23 H41 DC 23 21.504 11.415 33.268 260 H42 DC 23 H42 DC 23 21.688 11.365 31.513 261 H5 DC 23 H5 DC 23 19.330 11.335 34.327 262 H6 DC 23 H6 DC 23 16.925 11.173 33.898 263 H5' DG 24 H5' DG 24 13.911 8.924 28.822 264 H5'' DG 24 H5'' DG 24 13.373 7.400 28.109 265 H4' DG 24 H4' DG 24 15.432 8.218 27.076 266 H3' DG 24 H3' DG 24 15.136 5.565 28.092 267 HO3' DG 24 HO3' DG 24 16.543 5.103 26.330 268 H2' DG 24 H2' DG 24 16.774 5.880 29.770 269 H2'' DG 24 H2'' DG 24 17.849 5.394 28.414 270 H1' DG 24 H1' DG 24 18.157 7.708 27.748 271 H8 DG 24 H8 DG 24 17.485 7.754 31.602 272 H1 DG 24 H1 DG 24 23.658 7.876 29.747 273 H21 DG 24 H21 DG 24 23.731 7.564 27.556 274 H22 DG 24 H22 DG 24 22.248 7.596 26.602 275 H85 9U2 100 H85 PA7 25 12.089 23.053 37.386 276 H83 9U2 100 H83 PA7 25 15.805 22.001 34.055 277 H882 9U2 100 H882 PA7 25 11.616 25.311 38.304 278 H883 9U2 100 H883 PA7 25 12.019 25.282 36.586 279 H881 9U2 100 H881 PA7 25 13.206 25.863 37.759 280 H992 9U2 100 H992 PA7 25 12.184 23.425 39.772 281 H993 9U2 100 H993 PA7 25 13.920 23.719 39.731 282 H991 9U2 100 H991 PA7 25 13.274 22.142 39.276 283 H PYB 101 HN7 PA7 25 17.661 24.827 36.574 284 HB1 PYB 101 H73 PA7 25 19.921 26.285 36.930 285 HB PYB 101 H75 PA7 25 16.922 26.385 40.074 286 HD1 PYB 101 H771 PA7 25 19.066 29.098 40.977 287 HD2 PYB 101 H772 PA7 25 17.827 27.981 41.594 288 HD3 PYB 101 H773 PA7 25 19.554 27.612 41.852 289 H PYB 102 HN6 PA7 25 21.675 27.851 37.203 290 HB1 PYB 102 H63 PA7 25 23.893 29.097 36.160 291 HB PYB 102 H65 PA7 25 23.928 28.070 40.368 292 HD1 PYB 102 H661 PA7 25 27.423 28.745 39.673 293 HD2 PYB 102 H662 PA7 25 26.227 28.508 40.963 294 HD3 PYB 102 H663 PA7 25 26.574 30.158 40.371 295 H PYB 103 HN5 PA7 25 25.460 30.385 35.478 296 HB1 PYB 103 H53 PA7 25 26.008 31.850 33.415 297 HB PYB 103 H55 PA7 25 29.344 30.778 35.963 298 HD1 PYB 103 H551 PA7 25 30.814 33.216 33.813 299 HD2 PYB 103 H552 PA7 25 31.013 31.661 32.960 300 HD3 PYB 103 H553 PA7 25 31.236 31.746 34.729 301 H ABU 104 HN9 PA7 25 26.350 32.983 31.843 302 HA1 ABU 104 H942 PA7 25 26.332 34.292 29.807 303 HA2 ABU 104 H943 PA7 25 27.978 33.756 29.416 304 HB1 ABU 104 H931 PA7 25 25.851 32.709 28.215 305 HB2 ABU 104 H932 PA7 25 25.684 31.738 29.656 306 HG1 ABU 104 H921 PA7 25 27.992 31.812 27.632 307 HG2 ABU 104 H922 PA7 25 26.861 30.514 27.934 308 H IMT 105 HN4 PA7 25 26.963 29.861 30.454 309 HB IMT 105 H44 PA7 25 30.770 29.777 31.025 310 HD1 IMT 105 H441 PA7 25 32.347 28.749 32.623 311 HD2 IMT 105 H442 PA7 25 31.788 29.186 34.262 312 HD3 IMT 105 H443 PA7 25 31.696 27.488 33.702 313 H PYB 106 HN3 PA7 25 26.954 27.478 34.478 314 HB1 PYB 106 H33 PA7 25 25.197 26.285 36.069 315 HB PYB 106 H35 PA7 25 29.125 27.098 37.719 316 HD1 PYB 106 H331 PA7 25 28.236 24.669 39.775 317 HD2 PYB 106 H332 PA7 25 28.885 26.315 39.999 318 HD3 PYB 106 H333 PA7 25 27.294 25.908 40.664 319 H PYB 107 HN2 PA7 25 23.867 24.961 37.271 320 HB1 PYB 107 H23 PA7 25 21.543 23.554 37.301 321 HB PYB 107 H25 PA7 25 22.795 25.496 40.970 322 HD1 PYB 107 H221 PA7 25 19.319 24.997 41.557 323 HD2 PYB 107 H222 PA7 25 20.153 23.532 42.155 324 HD3 PYB 107 H223 PA7 25 20.878 25.144 42.409 325 H PYB 108 HN1 PA7 25 19.841 22.276 37.400 326 HB1 PYB 108 H13 PA7 25 18.603 20.550 35.858 327 HB PYB 108 H15 PA7 25 16.499 21.831 39.423 328 HD1 PYB 108 H111 PA7 25 14.571 18.949 38.255 329 HD2 PYB 108 H112 PA7 25 14.591 20.292 39.406 330 HD3 PYB 108 H113 PA7 25 13.863 20.508 37.783 331 H006 9T8 109 H006 PA7 25 11.761 19.923 27.377 332 H004 9T8 109 H004 PA7 25 10.799 18.445 27.104 333 H005 9T8 109 H005 PA7 25 11.348 19.425 25.716 334 HN02 9T8 109 HN02 PA7 25 16.708 17.917 30.222 335 H031 9T8 109 H031 PA7 25 12.454 17.275 28.494 336 H032 9T8 109 H032 PA7 25 13.484 18.700 28.632 337 H052 9T8 109 H052 PA7 25 15.847 15.911 29.523 338 H051 9T8 109 H051 PA7 25 14.269 16.343 30.186 339 H072 9T8 109 H072 PA7 25 15.316 20.277 32.438 340 H071 9T8 109 H071 PA7 25 16.798 19.789 31.611 341 H042 9T8 109 H042 PA7 25 15.332 17.316 27.462 342 H041 9T8 109 H041 PA7 25 14.300 15.918 27.689 343 HN01 9T8 109 HN01 PA7 25 13.642 18.880 26.223 344 H001 9T8 109 H001 PA7 25 11.888 16.418 26.103 345 H002 9T8 109 H002 PA7 25 13.602 16.494 25.604 346 H003 9T8 109 H003 PA7 25 12.376 17.431 24.714 347 H1 9T8 109 HN03 PA7 25 17.639 19.395 34.500 348 H081 9T8 109 H081 PA7 25 16.951 17.724 32.891 349 H082 9T8 109 H082 PA7 25 15.282 17.865 33.458 Start of MODEL 7 1 H5 DCZ 1 H5 DC 1 27.089 10.127 31.671 2 H6 DCZ 1 H6 DC 1 28.384 9.206 29.798 3 HN41 DCZ 1 H41 DC 1 23.426 10.005 31.526 4 HN42 DCZ 1 H42 DC 1 24.820 10.564 32.451 5 H1' DCZ 1 H1' DC 1 26.820 7.264 27.056 6 H2'1 DCZ 1 H2' DC 1 26.838 10.114 26.969 7 H2'2 DCZ 1 H2'' DC 1 27.048 8.968 25.619 8 H3' DCZ 1 H3' DC 1 29.100 10.435 27.274 9 H4' DCZ 1 H4' DC 1 29.698 7.752 26.007 10 H5'1 DCZ 1 H5' DC 1 31.377 7.593 27.808 11 H5'2 DCZ 1 H5'' DC 1 31.606 9.054 26.840 12 HO51 DCZ 1 HO5' DC 1 31.691 9.906 28.842 13 H5' DG 2 H5' DG 2 27.014 9.547 23.385 14 H5'' DG 2 H5'' DG 2 27.429 10.832 22.254 15 H4' DG 2 H4' DG 2 25.155 10.093 21.911 16 H3' DG 2 H3' DG 2 25.904 12.735 22.057 17 H2' DG 2 H2' DG 2 25.184 13.129 24.254 18 H2'' DG 2 H2'' DG 2 23.675 13.547 23.402 19 H1' DG 2 H1' DG 2 22.685 11.454 23.827 20 H8 DG 2 H8 DG 2 25.744 11.845 26.195 21 H1 DG 2 H1 DG 2 20.062 11.418 29.200 22 H21 DG 2 H21 DG 2 18.801 11.489 25.995 23 H22 DG 2 H22 DG 2 18.452 11.486 27.726 24 H5' DA 3 H5' DA 3 21.238 12.826 21.161 25 H5'' DA 3 H5'' DA 3 20.892 14.226 20.136 26 H4' DA 3 H4' DA 3 19.457 14.274 22.086 27 H3' DA 3 H3' DA 3 21.650 16.358 22.117 28 H2' DA 3 H2' DA 3 21.149 16.902 24.262 29 H2'' DA 3 H2'' DA 3 19.393 16.687 24.015 30 H1' DA 3 H1' DA 3 19.357 14.567 24.688 31 H8 DA 3 H8 DA 3 23.211 14.976 25.057 32 H61 DA 3 H61 DA 3 21.849 14.583 31.160 33 H62 DA 3 H62 DA 3 23.188 14.656 30.014 34 H2 DA 3 H2 DA 3 18.108 14.761 28.996 35 H5' DT 4 H5' DT 4 17.271 17.787 22.710 36 H5'' DT 4 H5'' DT 4 17.070 19.515 22.402 37 H4' DT 4 H4' DT 4 16.100 18.810 24.560 38 H3' DT 4 H3' DT 4 18.556 20.558 24.832 39 H2' DT 4 H2' DT 4 18.134 20.649 27.128 40 H2'' DT 4 H2'' DT 4 16.459 20.082 26.979 41 H1' DT 4 H1' DT 4 17.206 17.997 27.274 42 H3 DT 4 H3 DT 4 20.644 17.994 30.177 43 H71 DT 4 H71 DT 4 22.630 18.710 25.147 44 H72 DT 4 H72 DT 4 23.473 19.431 26.538 45 H73 DT 4 H73 DT 4 23.507 17.682 26.304 46 H6 DT 4 H6 DT 4 20.321 18.767 25.431 47 H5' DG 5 H5' DG 5 14.396 20.673 27.707 48 H5'' DG 5 H5'' DG 5 13.205 21.774 27.012 49 H4' DG 5 H4' DG 5 13.142 21.960 29.348 50 H3' DG 5 H3' DG 5 13.374 24.205 27.804 51 H2' DG 5 H2' DG 5 15.675 24.531 28.011 52 H2'' DG 5 H2'' DG 5 15.180 25.453 29.451 53 H1' DG 5 H1' DG 5 15.749 23.751 30.925 54 H8 DG 5 H8 DG 5 17.449 23.338 27.442 55 H1 DG 5 H1 DG 5 20.895 21.275 32.487 56 H21 DG 5 H21 DG 5 19.917 21.960 34.320 57 H22 DG 5 H22 DG 5 18.367 22.794 34.248 58 H5' DT 6 H5' DT 6 12.778 24.602 32.504 59 H5'' DT 6 H5'' DT 6 11.910 26.067 32.986 60 H4' DT 6 H4' DT 6 13.756 25.539 34.530 61 H3' DT 6 H3' DT 6 13.962 28.062 32.901 62 H2' DT 6 H2' DT 6 16.159 28.350 33.460 63 H2'' DT 6 H2'' DT 6 15.917 27.702 35.108 64 H1' DT 6 H1' DT 6 16.531 25.707 34.625 65 H3 DT 6 H3 DT 6 20.454 24.966 32.658 66 H71 DT 6 H71 DT 6 18.117 25.939 28.476 67 H72 DT 6 H72 DT 6 17.117 27.309 29.011 68 H73 DT 6 H73 DT 6 18.878 27.485 28.869 69 H6 DT 6 H6 DT 6 16.377 27.103 31.187 70 H5' DA 7 H5' DA 7 15.019 28.164 37.225 71 H5'' DA 7 H5'' DA 7 14.659 29.670 38.068 72 H4' DA 7 H4' DA 7 16.926 28.879 38.524 73 H3' DA 7 H3' DA 7 16.326 31.530 37.681 74 H2' DA 7 H2' DA 7 17.458 31.373 35.685 75 H2'' DA 7 H2'' DA 7 18.871 31.768 36.685 76 H1' DA 7 H1' DA 7 19.488 29.456 36.943 77 H8 DA 7 H8 DA 7 17.379 30.302 33.783 78 H61 DA 7 H61 DA 7 21.923 27.541 30.599 79 H62 DA 7 H62 DA 7 20.500 28.567 30.463 80 H2 DA 7 H2 DA 7 22.993 27.279 34.808 81 H5' DC 8 H5' DC 8 20.280 30.164 39.259 82 H5'' DC 8 H5'' DC 8 20.908 31.171 40.569 83 H4' DC 8 H4' DC 8 22.719 30.174 39.320 84 H3' DC 8 H3' DC 8 22.504 32.961 39.755 85 H2' DC 8 H2' DC 8 22.307 33.542 37.530 86 H2'' DC 8 H2'' DC 8 24.080 33.344 37.537 87 H1' DC 8 H1' DC 8 23.984 31.125 36.733 88 H41 DC 8 H41 DC 8 21.318 31.513 30.979 89 H42 DC 8 H42 DC 8 19.953 32.411 31.603 90 H5 DC 8 H5 DC 8 19.708 33.027 33.908 91 H6 DC 8 H6 DC 8 20.759 32.917 36.112 92 H5' DA 9 H5' DA 9 26.673 31.702 38.433 93 H5'' DA 9 H5'' DA 9 27.997 32.660 39.092 94 H4' DA 9 H4' DA 9 28.157 32.450 36.690 95 H3' DA 9 H3' DA 9 28.275 34.953 37.982 96 H2' DA 9 H2' DA 9 26.235 35.672 37.089 97 H2'' DA 9 H2'' DA 9 27.292 36.207 35.755 98 H1' DA 9 H1' DA 9 26.956 34.118 34.549 99 H8 DA 9 H8 DA 9 24.038 35.505 36.734 100 H61 DA 9 H61 DA 9 20.846 35.299 31.362 101 H62 DA 9 H62 DA 9 20.729 35.805 33.048 102 H2 DA 9 H2 DA 9 24.698 33.550 30.629 103 H5' DT 10 H5' DT 10 29.346 34.591 33.483 104 H5'' DT 10 H5'' DT 10 30.768 35.555 33.082 105 H4' DT 10 H4' DT 10 29.322 35.742 31.237 106 H3' DT 10 H3' DT 10 28.882 38.201 32.974 107 H2' DT 10 H2' DT 10 27.630 39.026 31.139 108 H2'' DT 10 H2'' DT 10 28.419 37.918 29.983 109 H1' DT 10 H1' DT 10 26.856 36.374 30.330 110 H3 DT 10 H3 DT 10 22.732 38.048 30.398 111 H71 DT 10 H71 DT 10 22.994 38.111 35.174 112 H72 DT 10 H72 DT 10 24.740 38.261 35.466 113 H73 DT 10 H73 DT 10 23.787 39.660 34.911 114 H6 DT 10 H6 DT 10 26.203 37.708 33.736 115 H5' DC 11 H5' DC 11 30.257 39.383 29.085 116 H5'' DC 11 H5'' DC 11 31.351 40.772 29.142 117 H4' DC 11 H4' DC 11 29.535 41.153 27.548 118 H3' DC 11 H3' DC 11 30.277 43.011 29.510 119 H2' DC 11 H2' DC 11 28.407 42.553 30.883 120 H2'' DC 11 H2'' DC 11 27.745 43.894 29.900 121 H1' DC 11 H1' DC 11 26.877 42.365 28.233 122 H41 DC 11 H41 DC 11 22.551 41.370 33.030 123 H42 DC 11 H42 DC 11 21.714 41.481 31.479 124 H5 DC 11 H5 DC 11 24.975 41.181 33.150 125 H6 DC 11 H6 DC 11 27.021 41.239 31.823 126 H5' DG 12 H5' DG 12 29.651 43.768 25.238 127 H5'' DG 12 H5'' DG 12 30.119 45.237 24.377 128 H4' DG 12 H4' DG 12 28.056 44.252 23.471 129 H3' DG 12 H3' DG 12 28.333 46.958 23.993 130 HO3' DG 12 HO3' DG 12 26.507 47.184 22.613 131 H2' DG 12 H2' DG 12 27.199 46.897 26.095 132 H2'' DG 12 H2'' DG 12 25.837 47.305 25.006 133 H1' DG 12 H1' DG 12 25.202 45.022 24.762 134 H8 DG 12 H8 DG 12 27.011 45.650 28.184 135 H1 DG 12 H1 DG 12 20.752 44.066 28.387 136 H21 DG 12 H21 DG 12 20.053 43.724 26.300 137 H22 DG 12 H22 DG 12 21.212 43.715 24.973 138 H5 DCZ 13 H5 DC 13 16.859 44.067 31.658 139 H6 DCZ 13 H6 DC 13 15.164 44.093 29.894 140 HN41 DCZ 13 H41 DC 13 20.431 44.176 30.782 141 HN42 DCZ 13 H42 DC 13 19.237 44.142 32.084 142 H1' DCZ 13 H1' DC 13 15.988 44.762 26.388 143 H2'1 DCZ 13 H2' DC 13 15.099 42.078 27.510 144 H2'2 DCZ 13 H2'' DC 13 16.018 42.403 26.001 145 H3' DCZ 13 H3' DC 13 13.326 42.138 25.956 146 H4' DCZ 13 H4' DC 13 12.872 44.892 26.211 147 H5'1 DCZ 13 H5' DC 13 11.779 44.395 28.356 148 H5'2 DCZ 13 H5'' DC 13 11.371 43.216 27.109 149 HO51 DCZ 13 HO5' DC 13 13.236 42.843 29.258 150 H5' DG 14 H5' DG 14 16.312 42.215 22.773 151 H5'' DG 14 H5'' DG 14 15.524 41.085 21.663 152 H4' DG 14 H4' DG 14 17.367 39.898 22.466 153 H3' DG 14 H3' DG 14 14.818 38.927 23.366 154 H2' DG 14 H2' DG 14 15.295 39.522 25.590 155 H2'' DG 14 H2'' DG 14 15.974 37.860 25.560 156 H1' DG 14 H1' DG 14 18.184 38.752 24.890 157 H8 DG 14 H8 DG 14 15.949 39.793 27.744 158 H1 DG 14 H1 DG 14 22.169 41.072 28.838 159 H21 DG 14 H21 DG 14 22.535 40.214 25.518 160 H22 DG 14 H22 DG 14 23.314 40.810 26.986 161 H5' DA 15 H5' DA 15 18.565 37.747 20.827 162 H5'' DA 15 H5'' DA 15 18.903 36.222 20.011 163 H4' DA 15 H4' DA 15 20.548 36.489 21.694 164 H3' DA 15 H3' DA 15 18.435 34.481 22.549 165 H2' DA 15 H2' DA 15 19.629 34.142 24.484 166 H2'' DA 15 H2'' DA 15 21.199 34.514 23.719 167 H1' DA 15 H1' DA 15 21.127 36.658 24.224 168 H8 DA 15 H8 DA 15 17.460 36.027 25.416 169 H61 DA 15 H61 DA 15 20.059 37.718 30.914 170 H62 DA 15 H62 DA 15 18.493 37.332 30.197 171 H2 DA 15 H2 DA 15 23.189 37.347 28.013 172 H5' DT 16 H5' DT 16 22.777 33.662 21.773 173 H5'' DT 16 H5'' DT 16 23.228 31.985 21.443 174 H4' DT 16 H4' DT 16 24.824 33.061 22.958 175 H3' DT 16 H3' DT 16 23.132 30.845 24.140 176 H2' DT 16 H2' DT 16 24.316 31.131 26.188 177 H2'' DT 16 H2'' DT 16 25.678 31.939 25.380 178 H1' DT 16 H1' DT 16 24.735 33.903 25.949 179 H3 DT 16 H3 DT 16 22.236 34.298 29.648 180 H71 DT 16 H71 DT 16 18.452 33.252 26.817 181 H72 DT 16 H72 DT 16 19.155 31.995 25.772 182 H73 DT 16 H73 DT 16 18.819 31.657 27.486 183 H6 DT 16 H6 DT 16 21.411 32.304 25.334 184 H5' DG 17 H5' DG 17 27.435 29.812 24.309 185 H5'' DG 17 H5'' DG 17 27.785 28.386 23.329 186 H4' DG 17 H4' DG 17 29.062 28.388 25.372 187 H3' DG 17 H3' DG 17 27.794 26.126 24.525 188 H2' DG 17 H2' DG 17 25.844 26.268 25.772 189 H2'' DG 17 H2'' DG 17 26.824 25.449 27.004 190 H1' DG 17 H1' DG 17 27.097 27.333 28.272 191 H8 DG 17 H8 DG 17 24.209 27.778 25.690 192 H1 DG 17 H1 DG 17 23.258 30.615 31.401 193 H21 DG 17 H21 DG 17 24.907 30.042 32.755 194 H22 DG 17 H22 DG 17 26.298 29.147 32.140 195 H5' DT 18 H5' DT 18 30.334 26.525 28.379 196 H5'' DT 18 H5'' DT 18 31.379 25.134 28.676 197 H4' DT 18 H4' DT 18 30.767 26.314 30.734 198 H3' DT 18 H3' DT 18 30.555 23.518 30.382 199 H2' DT 18 H2' DT 18 28.267 23.337 30.582 200 H2'' DT 18 H2'' DT 18 28.588 23.497 32.331 201 H1' DT 18 H1' DT 18 28.142 25.775 32.380 202 H3 DT 18 H3 DT 18 23.802 26.896 31.842 203 H71 DT 18 H71 DT 18 24.158 25.167 27.294 204 H72 DT 18 H72 DT 18 25.240 23.782 27.601 205 H73 DT 18 H73 DT 18 23.584 23.792 28.236 206 H6 DT 18 H6 DT 18 26.849 24.231 29.210 207 H5' DA 19 H5' DA 19 30.369 24.478 35.019 208 H5'' DA 19 H5'' DA 19 31.109 23.161 35.932 209 H4' DA 19 H4' DA 19 28.905 23.756 36.771 210 H3' DA 19 H3' DA 19 29.502 21.028 35.996 211 H2' DA 19 H2' DA 19 27.645 20.823 34.668 212 H2'' DA 19 H2'' DA 19 26.729 20.750 36.191 213 H1' DA 19 H1' DA 19 26.243 23.088 36.170 214 H8 DA 19 H8 DA 19 27.158 21.752 32.629 215 H61 DA 19 H61 DA 19 21.699 24.180 30.910 216 H62 DA 19 H62 DA 19 23.024 23.145 30.390 217 H2 DA 19 H2 DA 19 22.100 24.848 35.180 218 H5' DC 20 H5' DC 20 26.383 22.328 38.998 219 H5'' DC 20 H5'' DC 20 26.179 21.326 40.435 220 H4' DC 20 H4' DC 20 24.062 22.237 39.629 221 H3' DC 20 H3' DC 20 24.462 19.492 40.204 222 H2' DC 20 H2' DC 20 24.156 18.789 37.994 223 H2'' DC 20 H2'' DC 20 22.434 18.844 38.473 224 H1' DC 20 H1' DC 20 22.182 21.099 37.687 225 H41 DC 20 H41 DC 20 22.588 20.448 31.402 226 H42 DC 20 H42 DC 20 24.180 19.727 31.514 227 H5 DC 20 H5 DC 20 25.231 19.148 33.595 228 H6 DC 20 H6 DC 20 25.039 19.327 36.026 229 H5' DA 21 H5' DA 21 19.863 20.452 40.046 230 H5'' DA 21 H5'' DA 21 18.934 19.392 41.107 231 H4' DA 21 H4' DA 21 18.101 19.408 38.808 232 H3' DA 21 H3' DA 21 19.006 16.859 39.996 233 H2' DA 21 H2' DA 21 19.679 16.008 38.004 234 H2'' DA 21 H2'' DA 21 18.036 16.247 37.347 235 H1' DA 21 H1' DA 21 18.503 18.317 36.451 236 H8 DA 21 H8 DA 21 21.989 16.777 37.316 237 H61 DA 21 H61 DA 21 22.807 17.225 31.110 238 H62 DA 21 H62 DA 21 23.592 16.638 32.583 239 H2 DA 21 H2 DA 21 18.911 18.758 32.009 240 H5' DT 22 H5' DT 22 15.014 17.275 37.584 241 H5'' DT 22 H5'' DT 22 13.799 16.054 37.981 242 H4' DT 22 H4' DT 22 13.933 16.365 35.571 243 H3' DT 22 H3' DT 22 15.133 13.749 36.537 244 H2' DT 22 H2' DT 22 15.710 13.249 34.343 245 H2'' DT 22 H2'' DT 22 14.380 14.220 33.658 246 H1' DT 22 H1' DT 22 15.630 16.000 33.413 247 H3 DT 22 H3 DT 22 19.538 14.985 31.413 248 H71 DT 22 H71 DT 22 20.907 14.380 36.292 249 H72 DT 22 H72 DT 22 19.794 12.994 36.400 250 H73 DT 22 H73 DT 22 21.174 12.949 35.292 251 H6 DT 22 H6 DT 22 17.856 14.323 35.882 252 H5' DC 23 H5' DC 23 12.378 13.368 33.205 253 H5'' DC 23 H5'' DC 23 11.442 11.878 33.163 254 H4' DC 23 H4' DC 23 12.649 12.364 31.054 255 H3' DC 23 H3' DC 23 12.756 9.826 32.476 256 H2' DC 23 H2' DC 23 15.024 9.646 32.402 257 H2'' DC 23 H2'' DC 23 14.829 9.321 30.667 258 H1' DC 23 H1' DC 23 15.182 11.573 30.043 259 H41 DC 23 H41 DC 23 20.939 11.114 33.348 260 H42 DC 23 H42 DC 23 21.258 11.334 31.621 261 H5 DC 23 H5 DC 23 18.676 11.071 34.221 262 H6 DC 23 H6 DC 23 16.312 11.195 33.590 263 H5' DG 24 H5' DG 24 13.521 10.392 28.137 264 H5'' DG 24 H5'' DG 24 12.719 9.259 27.044 265 H4' DG 24 H4' DG 24 14.908 9.884 26.194 266 H3' DG 24 H3' DG 24 14.097 7.196 26.453 267 HO3' DG 24 HO3' DG 24 15.692 6.878 24.783 268 H2' DG 24 H2' DG 24 15.543 6.796 28.315 269 H2'' DG 24 H2'' DG 24 16.624 6.330 26.958 270 H1' DG 24 H1' DG 24 17.514 8.584 26.812 271 H8 DG 24 H8 DG 24 16.455 7.923 30.524 272 H1 DG 24 H1 DG 24 22.783 7.976 29.276 273 H21 DG 24 H21 DG 24 23.065 8.028 27.098 274 H22 DG 24 H22 DG 24 21.689 8.269 26.009 275 H85 9U2 100 H85 PA7 25 12.207 23.360 37.006 276 H83 9U2 100 H83 PA7 25 15.915 22.266 33.684 277 H882 9U2 100 H882 PA7 25 11.714 25.591 37.916 278 H883 9U2 100 H883 PA7 25 12.206 25.620 36.220 279 H881 9U2 100 H881 PA7 25 13.332 26.153 37.477 280 H992 9U2 100 H992 PA7 25 12.299 23.647 39.382 281 H993 9U2 100 H993 PA7 25 14.014 24.032 39.370 282 H991 9U2 100 H991 PA7 25 13.466 22.430 38.881 283 H PYB 101 HN7 PA7 25 17.851 24.918 36.305 284 HB1 PYB 101 H73 PA7 25 20.168 26.222 36.715 285 HB PYB 101 H75 PA7 25 17.173 26.371 39.861 286 HD1 PYB 101 H771 PA7 25 18.207 27.846 41.461 287 HD2 PYB 101 H772 PA7 25 19.873 27.254 41.711 288 HD3 PYB 101 H773 PA7 25 19.586 28.837 40.927 289 H PYB 102 HN6 PA7 25 21.969 27.651 37.036 290 HB1 PYB 102 H63 PA7 25 24.205 28.812 35.966 291 HB PYB 102 H65 PA7 25 24.325 27.642 40.137 292 HD1 PYB 102 H661 PA7 25 27.099 29.661 40.034 293 HD2 PYB 102 H662 PA7 25 27.801 28.143 39.395 294 HD3 PYB 102 H663 PA7 25 26.617 28.083 40.722 295 H PYB 103 HN5 PA7 25 25.816 30.068 35.278 296 HB1 PYB 103 H53 PA7 25 26.377 31.649 33.283 297 HB PYB 103 H55 PA7 25 29.717 30.323 35.706 298 HD1 PYB 103 H551 PA7 25 31.178 32.931 33.755 299 HD2 PYB 103 H552 PA7 25 31.390 31.435 32.796 300 HD3 PYB 103 H553 PA7 25 31.605 31.398 34.568 301 H ABU 104 HN9 PA7 25 26.735 32.823 31.727 302 HA1 ABU 104 H942 PA7 25 26.828 34.319 29.782 303 HA2 ABU 104 H943 PA7 25 28.426 33.676 29.359 304 HB1 ABU 104 H931 PA7 25 26.258 32.854 28.088 305 HB2 ABU 104 H932 PA7 25 25.952 31.866 29.500 306 HG1 ABU 104 H921 PA7 25 28.209 31.708 27.445 307 HG2 ABU 104 H922 PA7 25 27.021 30.505 27.899 308 H IMT 105 HN4 PA7 25 27.216 29.750 30.243 309 HB IMT 105 H44 PA7 25 31.028 29.587 30.778 310 HD1 IMT 105 H441 PA7 25 31.976 27.123 33.220 311 HD2 IMT 105 H442 PA7 25 32.608 28.550 32.355 312 HD3 IMT 105 H443 PA7 25 32.008 28.723 34.026 313 H PYB 106 HN3 PA7 25 27.186 27.180 34.111 314 HB1 PYB 106 H33 PA7 25 25.384 25.966 35.640 315 HB PYB 106 H35 PA7 25 29.354 26.519 37.301 316 HD1 PYB 106 H331 PA7 25 27.947 24.053 39.462 317 HD2 PYB 106 H332 PA7 25 29.191 25.330 39.397 318 HD3 PYB 106 H333 PA7 25 27.631 25.655 40.199 319 H PYB 107 HN2 PA7 25 23.996 24.611 36.823 320 HB1 PYB 107 H23 PA7 25 21.577 23.369 36.825 321 HB PYB 107 H25 PA7 25 23.023 25.001 40.570 322 HD1 PYB 107 H221 PA7 25 20.286 23.111 41.691 323 HD2 PYB 107 H222 PA7 25 21.144 24.638 42.042 324 HD3 PYB 107 H223 PA7 25 19.559 24.681 41.227 325 H PYB 108 HN1 PA7 25 19.833 22.107 36.928 326 HB1 PYB 108 H13 PA7 25 18.504 20.494 35.358 327 HB PYB 108 H15 PA7 25 16.448 21.841 38.925 328 HD1 PYB 108 H111 PA7 25 13.761 20.846 37.309 329 HD2 PYB 108 H112 PA7 25 14.270 19.158 37.509 330 HD3 PYB 108 H113 PA7 25 14.469 20.293 38.859 331 H006 9T8 109 H006 PA7 25 11.461 20.672 27.179 332 H004 9T8 109 H004 PA7 25 10.389 19.272 26.928 333 H005 9T8 109 H005 PA7 25 10.823 20.322 25.551 334 HN02 9T8 109 HN02 PA7 25 16.468 18.449 29.556 335 H031 9T8 109 H031 PA7 25 12.178 17.741 27.914 336 H032 9T8 109 H032 PA7 25 13.055 19.244 28.201 337 H052 9T8 109 H052 PA7 25 15.707 16.556 28.524 338 H051 9T8 109 H051 PA7 25 14.140 16.740 29.316 339 H072 9T8 109 H072 PA7 25 15.005 20.477 32.033 340 H071 9T8 109 H071 PA7 25 16.492 20.143 31.138 341 H042 9T8 109 H042 PA7 25 14.979 18.308 26.801 342 H041 9T8 109 H041 PA7 25 14.124 16.776 26.754 343 HN01 9T8 109 HN01 PA7 25 13.155 19.575 25.721 344 H001 9T8 109 H001 PA7 25 11.211 17.260 25.715 345 H002 9T8 109 H002 PA7 25 12.836 17.271 24.973 346 H003 9T8 109 H003 PA7 25 11.554 18.327 24.326 347 H1 9T8 109 HN03 PA7 25 17.489 19.452 33.961 348 H081 9T8 109 H081 PA7 25 16.764 17.976 32.221 349 H082 9T8 109 H082 PA7 25 15.116 18.017 32.868 Start of MODEL 8 1 H5 DCZ 1 H5 DC 1 27.769 11.063 30.915 2 H6 DCZ 1 H6 DC 1 28.941 9.831 29.143 3 HN41 DCZ 1 H41 DC 1 24.145 10.626 31.266 4 HN42 DCZ 1 H42 DC 1 25.561 11.501 31.846 5 H1' DCZ 1 H1' DC 1 27.200 7.302 27.010 6 H2'1 DCZ 1 H2' DC 1 27.065 10.099 26.540 7 H2'2 DCZ 1 H2'' DC 1 27.262 8.804 25.324 8 H3' DCZ 1 H3' DC 1 29.415 10.417 26.761 9 H4' DCZ 1 H4' DC 1 29.649 7.684 25.443 10 H5'1 DCZ 1 H5' DC 1 31.726 7.462 26.708 11 H5'2 DCZ 1 H5'' DC 1 31.797 8.851 25.619 12 HO51 DCZ 1 HO5' DC 1 32.643 9.295 27.770 13 H5' DG 2 H5' DG 2 26.979 9.593 23.072 14 H5'' DG 2 H5'' DG 2 27.386 10.864 21.921 15 H4' DG 2 H4' DG 2 25.095 10.174 21.630 16 H3' DG 2 H3' DG 2 25.877 12.798 21.750 17 H2' DG 2 H2' DG 2 25.283 13.191 23.991 18 H2'' DG 2 H2'' DG 2 23.746 13.653 23.220 19 H1' DG 2 H1' DG 2 22.725 11.588 23.681 20 H8 DG 2 H8 DG 2 25.901 11.922 25.914 21 H1 DG 2 H1 DG 2 20.349 11.344 29.132 22 H21 DG 2 H21 DG 2 18.974 11.340 25.969 23 H22 DG 2 H22 DG 2 18.683 11.323 27.710 24 H5' DA 3 H5' DA 3 21.183 13.113 21.057 25 H5'' DA 3 H5'' DA 3 20.863 14.583 20.127 26 H4' DA 3 H4' DA 3 19.583 14.623 22.179 27 H3' DA 3 H3' DA 3 21.940 16.538 22.273 28 H2' DA 3 H2' DA 3 21.329 17.086 24.423 29 H2'' DA 3 H2'' DA 3 19.594 16.782 24.126 30 H1' DA 3 H1' DA 3 19.667 14.687 24.799 31 H8 DA 3 H8 DA 3 23.539 15.176 24.946 32 H61 DA 3 H61 DA 3 22.465 14.596 31.119 33 H62 DA 3 H62 DA 3 23.771 14.757 29.939 34 H2 DA 3 H2 DA 3 18.659 14.612 29.119 35 H5' DT 4 H5' DT 4 17.615 18.038 22.853 36 H5'' DT 4 H5'' DT 4 17.422 19.786 22.708 37 H4' DT 4 H4' DT 4 16.324 18.850 24.704 38 H3' DT 4 H3' DT 4 18.705 20.603 25.372 39 H2' DT 4 H2' DT 4 17.911 20.477 27.647 40 H2'' DT 4 H2'' DT 4 16.359 19.791 27.152 41 H1' DT 4 H1' DT 4 17.371 17.776 27.469 42 H3 DT 4 H3 DT 4 20.789 17.945 30.394 43 H71 DT 4 H71 DT 4 22.743 18.719 25.374 44 H72 DT 4 H72 DT 4 23.451 19.695 26.685 45 H73 DT 4 H73 DT 4 23.721 17.951 26.643 46 H6 DT 4 H6 DT 4 20.420 18.838 25.674 47 H5' DG 5 H5' DG 5 13.981 20.890 27.878 48 H5'' DG 5 H5'' DG 5 13.196 22.307 27.174 49 H4' DG 5 H4' DG 5 13.241 22.305 29.661 50 H3' DG 5 H3' DG 5 13.522 24.555 28.166 51 H2' DG 5 H2' DG 5 15.896 24.359 27.860 52 H2'' DG 5 H2'' DG 5 15.775 25.508 29.219 53 H1' DG 5 H1' DG 5 16.092 23.855 30.859 54 H8 DG 5 H8 DG 5 17.778 23.245 27.421 55 H1 DG 5 H1 DG 5 21.083 21.262 32.592 56 H21 DG 5 H21 DG 5 20.058 22.009 34.381 57 H22 DG 5 H22 DG 5 18.496 22.804 34.241 58 H5' DT 6 H5' DT 6 12.565 24.264 32.976 59 H5'' DT 6 H5'' DT 6 11.648 25.517 33.816 60 H4' DT 6 H4' DT 6 13.785 25.432 34.824 61 H3' DT 6 H3' DT 6 13.597 27.817 32.990 62 H2' DT 6 H2' DT 6 15.802 28.254 33.330 63 H2'' DT 6 H2'' DT 6 15.754 27.751 35.045 64 H1' DT 6 H1' DT 6 16.287 25.673 34.673 65 H3 DT 6 H3 DT 6 20.280 25.029 32.781 66 H71 DT 6 H71 DT 6 17.082 27.522 29.127 67 H72 DT 6 H72 DT 6 18.846 27.691 29.094 68 H73 DT 6 H73 DT 6 18.108 26.188 28.539 69 H6 DT 6 H6 DT 6 16.198 27.093 31.232 70 H5' DA 7 H5' DA 7 14.768 28.185 37.310 71 H5'' DA 7 H5'' DA 7 14.348 29.715 38.082 72 H4' DA 7 H4' DA 7 16.592 28.944 38.687 73 H3' DA 7 H3' DA 7 16.031 31.573 37.818 74 H2' DA 7 H2' DA 7 17.165 31.396 35.812 75 H2'' DA 7 H2'' DA 7 18.567 31.825 36.817 76 H1' DA 7 H1' DA 7 19.231 29.537 37.097 77 H8 DA 7 H8 DA 7 16.998 30.169 33.975 78 H61 DA 7 H61 DA 7 21.707 27.748 30.751 79 H62 DA 7 H62 DA 7 20.205 28.656 30.618 80 H2 DA 7 H2 DA 7 22.848 27.611 34.938 81 H5' DC 8 H5' DC 8 20.060 30.355 39.501 82 H5'' DC 8 H5'' DC 8 20.626 31.438 40.776 83 H4' DC 8 H4' DC 8 22.482 30.442 39.584 84 H3' DC 8 H3' DC 8 22.223 33.230 39.948 85 H2' DC 8 H2' DC 8 21.986 33.742 37.699 86 H2'' DC 8 H2'' DC 8 23.766 33.613 37.710 87 H1' DC 8 H1' DC 8 23.750 31.367 36.972 88 H41 DC 8 H41 DC 8 21.090 31.502 31.220 89 H42 DC 8 H42 DC 8 19.650 32.298 31.820 90 H5 DC 8 H5 DC 8 19.376 32.961 34.115 91 H6 DC 8 H6 DC 8 20.443 32.971 36.320 92 H5' DA 9 H5' DA 9 26.430 32.080 38.593 93 H5'' DA 9 H5'' DA 9 27.719 33.079 39.260 94 H4' DA 9 H4' DA 9 27.900 32.895 36.860 95 H3' DA 9 H3' DA 9 27.892 35.407 38.153 96 H2' DA 9 H2' DA 9 25.833 36.033 37.244 97 H2'' DA 9 H2'' DA 9 26.874 36.603 35.910 98 H1' DA 9 H1' DA 9 26.639 34.495 34.718 99 H8 DA 9 H8 DA 9 23.650 35.799 36.861 100 H61 DA 9 H61 DA 9 20.470 35.161 31.508 101 H62 DA 9 H62 DA 9 20.319 35.750 33.165 102 H2 DA 9 H2 DA 9 24.412 33.609 30.848 103 H5' DT 10 H5' DT 10 29.216 34.919 33.633 104 H5'' DT 10 H5'' DT 10 30.587 35.986 33.314 105 H4' DT 10 H4' DT 10 29.265 35.912 31.338 106 H3' DT 10 H3' DT 10 28.724 38.491 32.853 107 H2' DT 10 H2' DT 10 27.533 39.166 30.914 108 H2'' DT 10 H2'' DT 10 28.370 37.982 29.877 109 H1' DT 10 H1' DT 10 26.762 36.491 30.259 110 H3 DT 10 H3 DT 10 22.609 38.074 30.289 111 H71 DT 10 H71 DT 10 23.665 39.811 34.780 112 H72 DT 10 H72 DT 10 22.858 38.271 35.045 113 H73 DT 10 H73 DT 10 24.604 38.408 35.346 114 H6 DT 10 H6 DT 10 26.096 37.931 33.616 115 H5' DC 11 H5' DC 11 30.308 39.548 29.059 116 H5'' DC 11 H5'' DC 11 31.395 40.943 29.117 117 H4' DC 11 H4' DC 11 29.569 41.292 27.523 118 H3' DC 11 H3' DC 11 30.294 43.181 29.494 119 H2' DC 11 H2' DC 11 28.427 42.807 30.824 120 H2'' DC 11 H2'' DC 11 27.757 44.076 29.761 121 H1' DC 11 H1' DC 11 26.865 42.454 28.209 122 H41 DC 11 H41 DC 11 22.742 41.580 33.199 123 H42 DC 11 H42 DC 11 21.844 41.604 31.674 124 H5 DC 11 H5 DC 11 25.170 41.390 33.231 125 H6 DC 11 H6 DC 11 27.164 41.450 31.827 126 H5' DG 12 H5' DG 12 29.882 42.334 25.365 127 H5'' DG 12 H5'' DG 12 30.434 43.165 23.912 128 H4' DG 12 H4' DG 12 28.209 42.342 23.541 129 H3' DG 12 H3' DG 12 28.835 45.048 23.152 130 HO3' DG 12 HO3' DG 12 27.013 44.989 21.741 131 H2' DG 12 H2' DG 12 27.717 45.747 25.150 132 H2'' DG 12 H2'' DG 12 26.395 45.932 23.948 133 H1' DG 12 H1' DG 12 25.598 43.688 24.374 134 H8 DG 12 H8 DG 12 27.279 45.244 27.546 135 H1 DG 12 H1 DG 12 20.933 44.118 27.913 136 H21 DG 12 H21 DG 12 20.215 43.428 25.937 137 H22 DG 12 H22 DG 12 21.360 43.117 24.634 138 H5 DCZ 13 H5 DC 13 17.174 45.062 31.239 139 H6 DCZ 13 H6 DC 13 15.439 44.903 29.517 140 HN41 DCZ 13 H41 DC 13 20.707 44.620 30.330 141 HN42 DCZ 13 H42 DC 13 19.557 44.991 31.617 142 H1' DCZ 13 H1' DC 13 16.274 44.560 25.918 143 H2'1 DCZ 13 H2' DC 13 14.783 42.763 27.855 144 H2'2 DCZ 13 H2'' DC 13 15.457 42.377 26.245 145 H3' DCZ 13 H3' DC 13 12.824 43.013 26.501 146 H4' DCZ 13 H4' DC 13 13.111 45.699 26.053 147 H5'1 DCZ 13 H5' DC 13 12.657 46.162 28.413 148 H5'2 DCZ 13 H5'' DC 13 11.609 44.915 27.751 149 HO51 DCZ 13 HO5' DC 13 12.664 43.359 28.967 150 H5' DG 14 H5' DG 14 15.961 42.138 23.194 151 H5'' DG 14 H5'' DG 14 15.075 40.958 22.217 152 H4' DG 14 H4' DG 14 16.953 39.777 22.919 153 H3' DG 14 H3' DG 14 14.468 38.935 24.081 154 H2' DG 14 H2' DG 14 15.122 39.624 26.209 155 H2'' DG 14 H2'' DG 14 15.769 37.952 26.230 156 H1' DG 14 H1' DG 14 17.948 38.755 25.385 157 H8 DG 14 H8 DG 14 15.873 40.201 28.218 158 H1 DG 14 H1 DG 14 22.199 41.138 29.002 159 H21 DG 14 H21 DG 14 22.399 39.972 25.768 160 H22 DG 14 H22 DG 14 23.257 40.660 27.150 161 H5' DA 15 H5' DA 15 17.772 37.451 21.112 162 H5'' DA 15 H5'' DA 15 17.939 35.859 20.374 163 H4' DA 15 H4' DA 15 19.849 36.313 21.794 164 H3' DA 15 H3' DA 15 17.957 34.147 22.717 165 H2' DA 15 H2' DA 15 18.984 34.003 24.725 166 H2'' DA 15 H2'' DA 15 20.615 34.205 24.031 167 H1' DA 15 H1' DA 15 20.671 36.415 24.302 168 H8 DA 15 H8 DA 15 17.084 35.948 25.782 169 H61 DA 15 H61 DA 15 20.100 37.756 31.024 170 H62 DA 15 H62 DA 15 18.477 37.387 30.430 171 H2 DA 15 H2 DA 15 23.004 37.260 27.917 172 H5' DT 16 H5' DT 16 22.407 33.691 21.955 173 H5'' DT 16 H5'' DT 16 22.965 32.058 21.570 174 H4' DT 16 H4' DT 16 24.504 33.172 23.107 175 H3' DT 16 H3' DT 16 22.929 30.863 24.276 176 H2' DT 16 H2' DT 16 24.104 31.189 26.319 177 H2'' DT 16 H2'' DT 16 25.431 32.057 25.516 178 H1' DT 16 H1' DT 16 24.416 33.982 26.073 179 H3 DT 16 H3 DT 16 21.993 34.304 29.822 180 H71 DT 16 H71 DT 16 18.192 33.114 27.059 181 H72 DT 16 H72 DT 16 18.920 31.844 26.047 182 H73 DT 16 H73 DT 16 18.618 31.556 27.776 183 H6 DT 16 H6 DT 16 21.153 32.236 25.549 184 H5' DG 17 H5' DG 17 27.220 30.157 24.872 185 H5'' DG 17 H5'' DG 17 27.713 28.884 23.754 186 H4' DG 17 H4' DG 17 28.979 28.682 25.735 187 H3' DG 17 H3' DG 17 27.696 26.476 24.753 188 H2' DG 17 H2' DG 17 25.811 26.441 26.069 189 H2'' DG 17 H2'' DG 17 26.841 25.610 27.240 190 H1' DG 17 H1' DG 17 27.001 27.421 28.617 191 H8 DG 17 H8 DG 17 24.152 27.859 26.022 192 H1 DG 17 H1 DG 17 23.149 30.762 31.682 193 H21 DG 17 H21 DG 17 24.821 30.266 33.032 194 H22 DG 17 H22 DG 17 26.250 29.429 32.416 195 H5' DT 18 H5' DT 18 30.084 26.949 28.562 196 H5'' DT 18 H5'' DT 18 31.268 25.671 28.851 197 H4' DT 18 H4' DT 18 30.600 26.747 30.922 198 H3' DT 18 H3' DT 18 30.534 23.951 30.543 199 H2' DT 18 H2' DT 18 28.253 23.671 30.732 200 H2'' DT 18 H2'' DT 18 28.573 23.779 32.483 201 H1' DT 18 H1' DT 18 28.065 26.061 32.602 202 H3 DT 18 H3 DT 18 23.694 27.135 32.115 203 H71 DT 18 H71 DT 18 24.056 25.415 27.562 204 H72 DT 18 H72 DT 18 25.120 24.019 27.873 205 H73 DT 18 H73 DT 18 23.460 24.046 28.497 206 H6 DT 18 H6 DT 18 26.735 24.483 29.464 207 H5' DA 19 H5' DA 19 30.273 24.947 35.128 208 H5'' DA 19 H5'' DA 19 31.046 23.690 36.097 209 H4' DA 19 H4' DA 19 28.816 24.218 36.891 210 H3' DA 19 H3' DA 19 29.472 21.486 36.130 211 H2' DA 19 H2' DA 19 27.563 21.205 34.904 212 H2'' DA 19 H2'' DA 19 26.697 21.213 36.458 213 H1' DA 19 H1' DA 19 26.207 23.535 36.341 214 H8 DA 19 H8 DA 19 27.067 22.097 32.828 215 H61 DA 19 H61 DA 19 21.564 24.384 31.130 216 H62 DA 19 H62 DA 19 22.897 23.348 30.640 217 H2 DA 19 H2 DA 19 21.997 25.158 35.400 218 H5' DC 20 H5' DC 20 26.419 22.739 39.197 219 H5'' DC 20 H5'' DC 20 26.243 21.747 40.648 220 H4' DC 20 H4' DC 20 24.099 22.593 39.822 221 H3' DC 20 H3' DC 20 24.557 19.876 40.448 222 H2' DC 20 H2' DC 20 24.344 19.140 38.240 223 H2'' DC 20 H2'' DC 20 22.604 19.137 38.685 224 H1' DC 20 H1' DC 20 22.275 21.345 37.861 225 H41 DC 20 H41 DC 20 22.785 20.480 31.590 226 H42 DC 20 H42 DC 20 24.348 19.720 31.772 227 H5 DC 20 H5 DC 20 25.394 19.296 33.875 228 H6 DC 20 H6 DC 20 25.190 19.600 36.288 229 H5' DA 21 H5' DA 21 19.896 20.555 40.209 230 H5'' DA 21 H5'' DA 21 19.039 19.426 41.261 231 H4' DA 21 H4' DA 21 18.272 19.414 38.932 232 H3' DA 21 H3' DA 21 19.178 16.913 40.192 233 H2' DA 21 H2' DA 21 20.080 16.116 38.260 234 H2'' DA 21 H2'' DA 21 18.455 16.173 37.509 235 H1' DA 21 H1' DA 21 18.768 18.294 36.619 236 H8 DA 21 H8 DA 21 22.319 16.932 37.532 237 H61 DA 21 H61 DA 21 23.066 17.212 31.295 238 H62 DA 21 H62 DA 21 23.889 16.669 32.767 239 H2 DA 21 H2 DA 21 19.165 18.692 32.198 240 H5' DT 22 H5' DT 22 15.597 17.304 37.349 241 H5'' DT 22 H5'' DT 22 14.212 16.274 37.748 242 H4' DT 22 H4' DT 22 14.436 16.377 35.363 243 H3' DT 22 H3' DT 22 15.478 13.754 36.468 244 H2' DT 22 H2' DT 22 16.164 13.161 34.339 245 H2'' DT 22 H2'' DT 22 14.877 14.107 33.547 246 H1' DT 22 H1' DT 22 16.145 15.878 33.282 247 H3 DT 22 H3 DT 22 20.111 14.878 31.418 248 H71 DT 22 H71 DT 22 21.295 14.486 36.384 249 H72 DT 22 H72 DT 22 20.302 13.011 36.448 250 H73 DT 22 H73 DT 22 21.745 13.078 35.419 251 H6 DT 22 H6 DT 22 18.325 14.294 35.855 252 H5' DC 23 H5' DC 23 12.786 13.383 33.052 253 H5'' DC 23 H5'' DC 23 11.779 11.936 33.056 254 H4' DC 23 H4' DC 23 13.012 12.238 30.949 255 H3' DC 23 H3' DC 23 13.010 9.798 32.490 256 H2' DC 23 H2' DC 23 15.300 9.684 32.664 257 H2'' DC 23 H2'' DC 23 15.227 9.086 30.988 258 H1' DC 23 H1' DC 23 15.533 11.266 30.059 259 H41 DC 23 H41 DC 23 21.362 11.168 33.243 260 H42 DC 23 H42 DC 23 21.623 11.361 31.504 261 H5 DC 23 H5 DC 23 19.119 11.113 34.184 262 H6 DC 23 H6 DC 23 16.738 11.122 33.614 263 H5' DG 24 H5' DG 24 14.131 9.876 28.061 264 H5'' DG 24 H5'' DG 24 13.351 8.584 27.141 265 H4' DG 24 H4' DG 24 15.567 8.931 26.279 266 H3' DG 24 H3' DG 24 14.721 6.382 27.165 267 HO3' DG 24 HO3' DG 24 16.292 5.659 25.636 268 H2' DG 24 H2' DG 24 16.127 6.451 29.098 269 H2'' DG 24 H2'' DG 24 17.236 5.670 27.919 270 H1' DG 24 H1' DG 24 18.114 7.832 27.232 271 H8 DG 24 H8 DG 24 17.078 7.836 31.013 272 H1 DG 24 H1 DG 24 23.389 8.168 29.693 273 H21 DG 24 H21 DG 24 23.643 7.837 27.523 274 H22 DG 24 H22 DG 24 22.248 7.843 26.437 275 H85 9U2 100 H85 PA7 25 12.246 23.021 37.050 276 H83 9U2 100 H83 PA7 25 16.014 22.193 33.699 277 H882 9U2 100 H882 PA7 25 11.701 25.222 38.042 278 H883 9U2 100 H883 PA7 25 12.116 25.270 36.330 279 H881 9U2 100 H881 PA7 25 13.279 25.843 37.534 280 H992 9U2 100 H992 PA7 25 12.432 23.480 39.507 281 H993 9U2 100 H993 PA7 25 14.192 23.478 39.342 282 H991 9U2 100 H991 PA7 25 13.252 22.051 38.918 283 H PYB 101 HN7 PA7 25 17.791 24.919 36.369 284 HB1 PYB 101 H73 PA7 25 20.047 26.329 36.829 285 HB PYB 101 H75 PA7 25 16.980 26.364 39.907 286 HD1 PYB 101 H771 PA7 25 17.886 27.893 41.509 287 HD2 PYB 101 H772 PA7 25 19.596 27.464 41.786 288 HD3 PYB 101 H773 PA7 25 19.171 28.997 40.966 289 H PYB 102 HN6 PA7 25 21.790 27.848 37.181 290 HB1 PYB 102 H63 PA7 25 24.039 29.044 36.173 291 HB PYB 102 H65 PA7 25 24.029 27.947 40.366 292 HD1 PYB 102 H661 PA7 25 27.541 28.500 39.693 293 HD2 PYB 102 H662 PA7 25 26.329 28.358 40.988 294 HD3 PYB 102 H663 PA7 25 26.770 29.972 40.357 295 H PYB 103 HN5 PA7 25 25.614 30.349 35.551 296 HB1 PYB 103 H53 PA7 25 26.152 31.925 33.574 297 HB PYB 103 H55 PA7 25 29.512 30.660 36.000 298 HD1 PYB 103 H551 PA7 25 31.147 31.817 33.026 299 HD2 PYB 103 H552 PA7 25 31.396 31.675 34.786 300 HD3 PYB 103 H553 PA7 25 30.950 33.252 34.075 301 H ABU 104 HN9 PA7 25 26.473 33.009 31.991 302 HA1 ABU 104 H942 PA7 25 26.370 34.396 30.040 303 HA2 ABU 104 H943 PA7 25 28.072 34.073 29.671 304 HB1 ABU 104 H931 PA7 25 26.132 32.926 28.286 305 HB2 ABU 104 H932 PA7 25 25.977 31.829 29.638 306 HG1 ABU 104 H921 PA7 25 28.443 32.320 27.864 307 HG2 ABU 104 H922 PA7 25 27.379 30.944 27.802 308 H IMT 105 HN4 PA7 25 27.222 30.060 30.405 309 HB IMT 105 H44 PA7 25 31.019 29.865 31.053 310 HD1 IMT 105 H441 PA7 25 31.894 27.426 33.543 311 HD2 IMT 105 H442 PA7 25 32.558 28.813 32.641 312 HD3 IMT 105 H443 PA7 25 31.952 29.047 34.303 313 H PYB 106 HN3 PA7 25 27.113 27.490 34.368 314 HB1 PYB 106 H33 PA7 25 25.333 26.279 35.918 315 HB PYB 106 H35 PA7 25 29.286 26.932 37.586 316 HD1 PYB 106 H331 PA7 25 29.174 25.437 39.547 317 HD2 PYB 106 H332 PA7 25 27.829 26.194 40.449 318 HD3 PYB 106 H333 PA7 25 27.701 24.503 39.877 319 H PYB 107 HN2 PA7 25 23.990 24.933 37.092 320 HB1 PYB 107 H23 PA7 25 21.650 23.579 37.071 321 HB PYB 107 H25 PA7 25 22.924 25.369 40.809 322 HD1 PYB 107 H221 PA7 25 19.403 24.857 41.344 323 HD2 PYB 107 H222 PA7 25 20.305 23.440 41.963 324 HD3 PYB 107 H223 PA7 25 20.952 25.090 42.191 325 H PYB 108 HN1 PA7 25 19.965 22.287 37.131 326 HB1 PYB 108 H13 PA7 25 18.741 20.585 35.539 327 HB PYB 108 H15 PA7 25 16.590 21.822 39.092 328 HD1 PYB 108 H111 PA7 25 14.645 18.986 37.822 329 HD2 PYB 108 H112 PA7 25 14.667 20.301 39.006 330 HD3 PYB 108 H113 PA7 25 13.973 20.567 37.375 331 H006 9T8 109 H006 PA7 25 11.119 20.159 25.587 332 H004 9T8 109 H004 PA7 25 11.664 20.542 27.241 333 H005 9T8 109 H005 PA7 25 10.582 19.150 26.959 334 HN02 9T8 109 HN02 PA7 25 16.593 18.295 29.770 335 H031 9T8 109 H031 PA7 25 12.271 17.673 28.124 336 H032 9T8 109 H032 PA7 25 13.246 19.123 28.371 337 H052 9T8 109 H052 PA7 25 15.745 16.350 28.910 338 H051 9T8 109 H051 PA7 25 14.185 16.673 29.670 339 H072 9T8 109 H072 PA7 25 15.212 20.443 32.218 340 H071 9T8 109 H071 PA7 25 16.663 20.134 31.257 341 H042 9T8 109 H042 PA7 25 15.117 17.950 27.026 342 H041 9T8 109 H041 PA7 25 14.155 16.490 27.131 343 HN01 9T8 109 HN01 PA7 25 13.410 19.406 25.928 344 H001 9T8 109 H001 PA7 25 11.930 18.146 24.436 345 H002 9T8 109 H002 PA7 25 11.451 17.106 25.806 346 H003 9T8 109 H003 PA7 25 13.133 17.079 25.202 347 H1 9T8 109 HN03 PA7 25 17.747 19.511 34.092 348 H081 9T8 109 H081 PA7 25 17.047 17.990 32.357 349 H082 9T8 109 H082 PA7 25 15.417 17.972 33.040 Start of MODEL 9 1 H5 DCZ 1 H5 DC 1 28.661 11.585 31.798 2 H6 DCZ 1 H6 DC 1 29.298 10.810 29.554 3 HN41 DCZ 1 H41 DC 1 25.588 10.302 33.361 4 HN42 DCZ 1 H42 DC 1 26.978 11.374 33.549 5 H1' DCZ 1 H1' DC 1 27.288 8.248 27.705 6 H2'1 DCZ 1 H2' DC 1 27.367 11.119 27.404 7 H2'2 DCZ 1 H2'' DC 1 27.076 9.862 26.169 8 H3' DCZ 1 H3' DC 1 29.624 11.278 26.934 9 H4' DCZ 1 H4' DC 1 29.650 8.424 25.928 10 H5'1 DCZ 1 H5' DC 1 31.808 8.301 27.076 11 H5'2 DCZ 1 H5'' DC 1 31.796 9.644 25.925 12 HO51 DCZ 1 HO5' DC 1 32.736 10.174 28.039 13 H5' DG 2 H5' DG 2 26.656 9.750 23.643 14 H5'' DG 2 H5'' DG 2 27.096 10.795 22.293 15 H4' DG 2 H4' DG 2 24.828 10.212 22.008 16 H3' DG 2 H3' DG 2 25.599 12.828 21.997 17 H2' DG 2 H2' DG 2 25.013 13.376 24.204 18 H2'' DG 2 H2'' DG 2 23.464 13.764 23.426 19 H1' DG 2 H1' DG 2 22.456 11.774 24.096 20 H8 DG 2 H8 DG 2 25.754 12.213 26.140 21 H1 DG 2 H1 DG 2 20.440 11.187 29.633 22 H21 DG 2 H21 DG 2 18.897 11.254 26.545 23 H22 DG 2 H22 DG 2 18.699 11.126 28.295 24 H5' DA 3 H5' DA 3 20.923 13.387 21.185 25 H5'' DA 3 H5'' DA 3 20.777 14.868 20.228 26 H4' DA 3 H4' DA 3 19.514 15.131 22.252 27 H3' DA 3 H3' DA 3 22.087 16.718 22.246 28 H2' DA 3 H2' DA 3 21.895 17.128 24.457 29 H2'' DA 3 H2'' DA 3 20.145 17.395 24.357 30 H1' DA 3 H1' DA 3 19.542 15.304 24.814 31 H8 DA 3 H8 DA 3 23.424 15.288 25.256 32 H61 DA 3 H61 DA 3 21.969 14.299 31.249 33 H62 DA 3 H62 DA 3 23.312 14.503 30.125 34 H2 DA 3 H2 DA 3 18.245 14.555 29.037 35 H5' DT 4 H5' DT 4 17.875 18.292 22.853 36 H5'' DT 4 H5'' DT 4 17.570 20.029 22.856 37 H4' DT 4 H4' DT 4 16.444 18.860 24.690 38 H3' DT 4 H3' DT 4 18.692 20.645 25.663 39 H2' DT 4 H2' DT 4 17.726 20.256 27.874 40 H2'' DT 4 H2'' DT 4 16.287 19.509 27.177 41 H1' DT 4 H1' DT 4 17.469 17.569 27.435 42 H3 DT 4 H3 DT 4 20.848 17.622 30.397 43 H71 DT 4 H71 DT 4 22.734 19.272 25.556 44 H72 DT 4 H72 DT 4 23.575 19.729 27.055 45 H73 DT 4 H73 DT 4 23.663 18.062 26.473 46 H6 DT 4 H6 DT 4 20.449 19.057 25.816 47 H5' DG 5 H5' DG 5 14.090 20.524 28.076 48 H5'' DG 5 H5'' DG 5 13.147 21.871 27.420 49 H4' DG 5 H4' DG 5 13.239 21.874 29.889 50 H3' DG 5 H3' DG 5 13.389 24.154 28.417 51 H2' DG 5 H2' DG 5 15.772 24.105 28.073 52 H2'' DG 5 H2'' DG 5 15.608 25.212 29.454 53 H1' DG 5 H1' DG 5 16.052 23.556 31.050 54 H8 DG 5 H8 DG 5 17.711 23.016 27.576 55 H1 DG 5 H1 DG 5 21.032 20.972 32.717 56 H21 DG 5 H21 DG 5 20.020 21.757 34.512 57 H22 DG 5 H22 DG 5 18.465 22.566 34.368 58 H5' DT 6 H5' DT 6 12.621 23.730 33.306 59 H5'' DT 6 H5'' DT 6 11.678 24.930 34.184 60 H4' DT 6 H4' DT 6 13.870 24.999 35.034 61 H3' DT 6 H3' DT 6 13.280 27.381 33.312 62 H2' DT 6 H2' DT 6 15.488 27.908 33.206 63 H2'' DT 6 H2'' DT 6 15.712 27.646 34.955 64 H1' DT 6 H1' DT 6 16.256 25.493 34.798 65 H3 DT 6 H3 DT 6 20.232 24.801 32.862 66 H71 DT 6 H71 DT 6 16.972 27.157 29.171 67 H72 DT 6 H72 DT 6 18.735 27.334 29.112 68 H73 DT 6 H73 DT 6 17.998 25.808 28.617 69 H6 DT 6 H6 DT 6 16.108 26.767 31.295 70 H5' DA 7 H5' DA 7 14.933 27.688 37.510 71 H5'' DA 7 H5'' DA 7 14.472 29.141 38.400 72 H4' DA 7 H4' DA 7 16.816 28.630 38.732 73 H3' DA 7 H3' DA 7 15.963 31.187 37.769 74 H2' DA 7 H2' DA 7 17.097 31.026 35.775 75 H2'' DA 7 H2'' DA 7 18.495 31.539 36.745 76 H1' DA 7 H1' DA 7 19.230 29.269 37.098 77 H8 DA 7 H8 DA 7 17.005 29.755 33.941 78 H61 DA 7 H61 DA 7 21.786 27.375 30.810 79 H62 DA 7 H62 DA 7 20.273 28.255 30.652 80 H2 DA 7 H2 DA 7 22.923 27.399 35.009 81 H5' DC 8 H5' DC 8 20.009 30.210 39.545 82 H5'' DC 8 H5'' DC 8 20.566 31.389 40.736 83 H4' DC 8 H4' DC 8 22.429 30.330 39.578 84 H3' DC 8 H3' DC 8 22.118 33.135 39.810 85 H2' DC 8 H2' DC 8 21.930 33.548 37.545 86 H2'' DC 8 H2'' DC 8 23.709 33.397 37.585 87 H1' DC 8 H1' DC 8 23.681 31.135 36.934 88 H41 DC 8 H41 DC 8 21.109 31.186 31.129 89 H42 DC 8 H42 DC 8 19.675 32.015 31.693 90 H5 DC 8 H5 DC 8 19.350 32.675 33.984 91 H6 DC 8 H6 DC 8 20.368 32.695 36.207 92 H5' DA 9 H5' DA 9 26.365 31.930 38.600 93 H5'' DA 9 H5'' DA 9 27.637 32.984 39.217 94 H4' DA 9 H4' DA 9 27.843 32.615 36.830 95 H3' DA 9 H3' DA 9 27.867 35.202 37.960 96 H2' DA 9 H2' DA 9 25.824 35.810 37.000 97 H2'' DA 9 H2'' DA 9 26.882 36.274 35.639 98 H1' DA 9 H1' DA 9 26.604 34.109 34.575 99 H8 DA 9 H8 DA 9 23.628 35.491 36.691 100 H61 DA 9 H61 DA 9 20.506 35.021 31.304 101 H62 DA 9 H62 DA 9 20.355 35.548 32.981 102 H2 DA 9 H2 DA 9 24.403 33.293 30.686 103 H5' DT 10 H5' DT 10 29.001 34.552 33.493 104 H5'' DT 10 H5'' DT 10 30.459 35.470 33.110 105 H4' DT 10 H4' DT 10 29.156 35.542 31.163 106 H3' DT 10 H3' DT 10 28.627 38.114 32.700 107 H2' DT 10 H2' DT 10 27.531 38.829 30.705 108 H2'' DT 10 H2'' DT 10 28.341 37.585 29.717 109 H1' DT 10 H1' DT 10 26.614 36.210 30.089 110 H3 DT 10 H3 DT 10 22.546 37.910 30.247 111 H71 DT 10 H71 DT 10 22.868 37.940 34.995 112 H72 DT 10 H72 DT 10 24.621 37.996 35.278 113 H73 DT 10 H73 DT 10 23.730 39.455 34.778 114 H6 DT 10 H6 DT 10 26.087 37.578 33.498 115 H5' DC 11 H5' DC 11 30.368 39.292 29.030 116 H5'' DC 11 H5'' DC 11 31.475 40.662 29.198 117 H4' DC 11 H4' DC 11 29.703 41.139 27.573 118 H3' DC 11 H3' DC 11 30.396 42.896 29.664 119 H2' DC 11 H2' DC 11 28.519 42.463 30.949 120 H2'' DC 11 H2'' DC 11 27.861 43.791 29.956 121 H1' DC 11 H1' DC 11 26.956 42.282 28.318 122 H41 DC 11 H41 DC 11 22.831 41.196 33.229 123 H42 DC 11 H42 DC 11 21.953 41.199 31.692 124 H5 DC 11 H5 DC 11 25.264 40.995 33.270 125 H6 DC 11 H6 DC 11 27.264 41.065 31.875 126 H5' DG 12 H5' DG 12 30.274 42.592 25.512 127 H5'' DG 12 H5'' DG 12 30.878 43.627 24.220 128 H4' DG 12 H4' DG 12 28.758 42.672 23.573 129 H3' DG 12 H3' DG 12 29.227 45.416 23.435 130 HO3' DG 12 HO3' DG 12 27.513 45.385 21.910 131 H2' DG 12 H2' DG 12 27.976 45.921 25.407 132 H2'' DG 12 H2'' DG 12 26.708 46.124 24.158 133 H1' DG 12 H1' DG 12 25.960 43.857 24.414 134 H8 DG 12 H8 DG 12 27.536 45.293 27.696 135 H1 DG 12 H1 DG 12 21.302 43.647 27.987 136 H21 DG 12 H21 DG 12 20.647 43.009 25.980 137 H22 DG 12 H22 DG 12 21.818 42.787 24.679 138 H5 DCZ 13 H5 DC 13 17.497 43.777 31.502 139 H6 DCZ 13 H6 DC 13 15.812 43.813 29.717 140 HN41 DCZ 13 H41 DC 13 21.076 43.828 30.607 141 HN42 DCZ 13 H42 DC 13 19.903 43.850 31.931 142 H1' DCZ 13 H1' DC 13 16.778 44.372 26.187 143 H2'1 DCZ 13 H2' DC 13 15.455 41.972 27.483 144 H2'2 DCZ 13 H2'' DC 13 16.284 42.091 25.900 145 H3' DCZ 13 H3' DC 13 13.589 42.314 26.023 146 H4' DCZ 13 H4' DC 13 13.502 45.036 26.316 147 H5'1 DCZ 13 H5' DC 13 12.813 44.790 28.641 148 H5'2 DCZ 13 H5'' DC 13 12.050 43.590 27.605 149 HO51 DCZ 13 HO5' DC 13 13.290 41.977 28.531 150 H5' DG 14 H5' DG 14 16.702 41.959 22.898 151 H5'' DG 14 H5'' DG 14 15.816 40.890 21.798 152 H4' DG 14 H4' DG 14 17.461 39.490 22.638 153 H3' DG 14 H3' DG 14 14.841 38.903 23.660 154 H2' DG 14 H2' DG 14 15.465 39.571 25.821 155 H2'' DG 14 H2'' DG 14 15.916 37.836 25.887 156 H1' DG 14 H1' DG 14 18.207 38.388 25.111 157 H8 DG 14 H8 DG 14 16.181 39.717 27.956 158 H1 DG 14 H1 DG 14 22.489 40.575 28.912 159 H21 DG 14 H21 DG 14 22.757 39.592 25.619 160 H22 DG 14 H22 DG 14 23.579 40.191 27.063 161 H5' DA 15 H5' DA 15 18.162 37.383 21.054 162 H5'' DA 15 H5'' DA 15 18.402 35.855 20.206 163 H4' DA 15 H4' DA 15 20.191 36.133 21.778 164 H3' DA 15 H3' DA 15 18.159 34.035 22.576 165 H2' DA 15 H2' DA 15 19.188 33.742 24.575 166 H2'' DA 15 H2'' DA 15 20.822 33.989 23.901 167 H1' DA 15 H1' DA 15 20.869 36.165 24.328 168 H8 DA 15 H8 DA 15 17.187 35.788 25.575 169 H61 DA 15 H61 DA 15 19.995 37.421 30.990 170 H62 DA 15 H62 DA 15 18.386 37.181 30.306 171 H2 DA 15 H2 DA 15 23.035 36.593 28.108 172 H5' DT 16 H5' DT 16 22.593 33.304 21.834 173 H5'' DT 16 H5'' DT 16 23.064 31.635 21.491 174 H4' DT 16 H4' DT 16 24.616 32.730 23.056 175 H3' DT 16 H3' DT 16 22.965 30.450 24.166 176 H2' DT 16 H2' DT 16 24.056 30.751 26.257 177 H2'' DT 16 H2'' DT 16 25.430 31.602 25.515 178 H1' DT 16 H1' DT 16 24.421 33.535 26.050 179 H3 DT 16 H3 DT 16 21.872 33.792 29.716 180 H71 DT 16 H71 DT 16 18.878 31.533 25.745 181 H72 DT 16 H72 DT 16 18.507 31.180 27.448 182 H73 DT 16 H73 DT 16 18.149 32.778 26.785 183 H6 DT 16 H6 DT 16 21.139 31.889 25.344 184 H5' DG 17 H5' DG 17 27.363 29.610 24.798 185 H5'' DG 17 H5'' DG 17 27.771 28.259 23.740 186 H4' DG 17 H4' DG 17 29.030 28.112 25.744 187 H3' DG 17 H3' DG 17 27.695 25.905 24.834 188 H2' DG 17 H2' DG 17 25.810 25.958 26.145 189 H2'' DG 17 H2'' DG 17 26.823 25.159 27.352 190 H1' DG 17 H1' DG 17 27.008 27.016 28.656 191 H8 DG 17 H8 DG 17 24.193 27.415 26.013 192 H1 DG 17 H1 DG 17 23.114 30.410 31.617 193 H21 DG 17 H21 DG 17 24.771 29.940 32.999 194 H22 DG 17 H22 DG 17 26.200 29.081 32.414 195 H5' DT 18 H5' DT 18 30.158 26.424 28.609 196 H5'' DT 18 H5'' DT 18 31.277 25.107 28.962 197 H4' DT 18 H4' DT 18 30.643 26.349 30.965 198 H3' DT 18 H3' DT 18 30.583 23.551 30.781 199 H2' DT 18 H2' DT 18 28.280 23.295 30.865 200 H2'' DT 18 H2'' DT 18 28.543 23.435 32.625 201 H1' DT 18 H1' DT 18 28.065 25.733 32.671 202 H3 DT 18 H3 DT 18 23.705 26.790 32.126 203 H71 DT 18 H71 DT 18 24.078 24.940 27.627 204 H72 DT 18 H72 DT 18 25.153 23.560 27.975 205 H73 DT 18 H73 DT 18 23.495 23.592 28.602 206 H6 DT 18 H6 DT 18 26.763 24.071 29.564 207 H5' DA 19 H5' DA 19 30.158 24.678 35.361 208 H5'' DA 19 H5'' DA 19 30.892 23.421 36.358 209 H4' DA 19 H4' DA 19 28.620 23.942 37.037 210 H3' DA 19 H3' DA 19 29.307 21.198 36.302 211 H2' DA 19 H2' DA 19 27.401 20.901 35.079 212 H2'' DA 19 H2'' DA 19 26.510 20.978 36.619 213 H1' DA 19 H1' DA 19 26.073 23.299 36.420 214 H8 DA 19 H8 DA 19 26.972 21.774 32.952 215 H61 DA 19 H61 DA 19 21.503 24.091 31.166 216 H62 DA 19 H62 DA 19 22.821 23.024 30.695 217 H2 DA 19 H2 DA 19 21.913 24.942 35.408 218 H5' DC 20 H5' DC 20 26.226 22.521 39.294 219 H5'' DC 20 H5'' DC 20 26.048 21.579 40.775 220 H4' DC 20 H4' DC 20 23.900 22.388 39.931 221 H3' DC 20 H3' DC 20 24.365 19.710 40.651 222 H2' DC 20 H2' DC 20 24.255 18.900 38.456 223 H2'' DC 20 H2'' DC 20 22.511 18.813 38.850 224 H1' DC 20 H1' DC 20 22.109 21.025 37.977 225 H41 DC 20 H41 DC 20 22.745 20.159 31.732 226 H42 DC 20 H42 DC 20 24.284 19.358 31.928 227 H5 DC 20 H5 DC 20 25.298 18.927 34.063 228 H6 DC 20 H6 DC 20 25.058 19.245 36.470 229 H5' DA 21 H5' DA 21 19.745 20.235 40.132 230 H5'' DA 21 H5'' DA 21 18.845 19.157 41.199 231 H4' DA 21 H4' DA 21 18.190 18.940 38.855 232 H3' DA 21 H3' DA 21 19.361 16.528 40.155 233 H2' DA 21 H2' DA 21 19.845 15.595 38.135 234 H2'' DA 21 H2'' DA 21 18.207 15.951 37.518 235 H1' DA 21 H1' DA 21 18.774 17.953 36.604 236 H8 DA 21 H8 DA 21 22.249 16.433 37.576 237 H61 DA 21 H61 DA 21 23.126 16.847 31.362 238 H62 DA 21 H62 DA 21 23.924 16.275 32.835 239 H2 DA 21 H2 DA 21 19.237 18.371 32.218 240 H5' DT 22 H5' DT 22 15.160 16.669 38.027 241 H5'' DT 22 H5'' DT 22 14.085 15.315 38.380 242 H4' DT 22 H4' DT 22 14.151 15.848 35.971 243 H3' DT 22 H3' DT 22 15.324 13.194 36.832 244 H2' DT 22 H2' DT 22 16.040 12.786 34.675 245 H2'' DT 22 H2'' DT 22 14.675 13.669 33.944 246 H1' DT 22 H1' DT 22 15.773 15.566 33.775 247 H3 DT 22 H3 DT 22 19.591 14.578 31.532 248 H71 DT 22 H71 DT 22 20.946 12.315 35.688 249 H72 DT 22 H72 DT 22 21.741 13.889 35.741 250 H73 DT 22 H73 DT 22 20.381 13.556 36.834 251 H6 DT 22 H6 DT 22 18.208 14.050 36.126 252 H5' DC 23 H5' DC 23 12.762 12.704 33.407 253 H5'' DC 23 H5'' DC 23 11.860 11.193 33.382 254 H4' DC 23 H4' DC 23 13.215 11.551 31.356 255 H3' DC 23 H3' DC 23 13.205 9.123 32.896 256 H2' DC 23 H2' DC 23 15.479 9.234 33.347 257 H2'' DC 23 H2'' DC 23 15.615 8.494 31.729 258 H1' DC 23 H1' DC 23 15.767 10.653 30.655 259 H41 DC 23 H41 DC 23 21.638 10.672 33.685 260 H42 DC 23 H42 DC 23 21.836 11.013 31.961 261 H5 DC 23 H5 DC 23 19.418 10.547 34.702 262 H6 DC 23 H6 DC 23 17.021 10.568 34.213 263 H5' DG 24 H5' DG 24 14.687 9.539 28.521 264 H5'' DG 24 H5'' DG 24 13.974 8.263 27.531 265 H4' DG 24 H4' DG 24 16.131 8.860 26.641 266 H3' DG 24 H3' DG 24 15.456 6.200 27.246 267 HO3' DG 24 HO3' DG 24 17.079 5.721 25.675 268 H2' DG 24 H2' DG 24 16.834 6.136 29.194 269 H2'' DG 24 H2'' DG 24 17.993 5.536 27.961 270 H1' DG 24 H1' DG 24 18.808 7.778 27.537 271 H8 DG 24 H8 DG 24 17.573 7.376 31.232 272 H1 DG 24 H1 DG 24 23.928 8.111 30.328 273 H21 DG 24 H21 DG 24 24.312 8.252 28.208 274 H22 DG 24 H22 DG 24 23.003 8.246 27.013 275 H85 9U2 100 H85 PA7 25 12.475 22.566 37.401 276 H83 9U2 100 H83 PA7 25 16.125 21.940 33.900 277 H882 9U2 100 H882 PA7 25 12.155 24.796 36.614 278 H883 9U2 100 H883 PA7 25 13.293 25.477 37.784 279 H881 9U2 100 H881 PA7 25 11.779 24.749 38.339 280 H992 9U2 100 H992 PA7 25 14.151 23.567 39.734 281 H993 9U2 100 H993 PA7 25 14.051 21.880 39.231 282 H991 9U2 100 H991 PA7 25 12.601 22.748 39.730 283 H PYB 101 HN7 PA7 25 17.881 24.758 36.511 284 HB1 PYB 101 H73 PA7 25 20.104 26.212 36.953 285 HB PYB 101 H75 PA7 25 17.103 26.118 40.092 286 HD1 PYB 101 H771 PA7 25 19.724 27.241 41.938 287 HD2 PYB 101 H772 PA7 25 19.272 28.787 41.156 288 HD3 PYB 101 H773 PA7 25 18.006 27.660 41.701 289 H PYB 102 HN6 PA7 25 21.830 27.681 37.294 290 HB1 PYB 102 H63 PA7 25 24.051 28.857 36.231 291 HB PYB 102 H65 PA7 25 24.115 27.844 40.442 292 HD1 PYB 102 H661 PA7 25 26.874 29.856 40.339 293 HD2 PYB 102 H662 PA7 25 27.609 28.354 39.695 294 HD3 PYB 102 H663 PA7 25 26.426 28.266 41.021 295 H PYB 103 HN5 PA7 25 25.620 30.110 35.535 296 HB1 PYB 103 H53 PA7 25 26.151 31.605 33.479 297 HB PYB 103 H55 PA7 25 29.517 30.437 35.946 298 HD1 PYB 103 H551 PA7 25 31.397 31.420 34.708 299 HD2 PYB 103 H552 PA7 25 30.950 32.946 33.895 300 HD3 PYB 103 H553 PA7 25 31.152 31.446 32.941 301 H ABU 104 HN9 PA7 25 26.478 32.682 31.865 302 HA1 ABU 104 H942 PA7 25 26.450 34.072 29.890 303 HA2 ABU 104 H943 PA7 25 28.114 33.604 29.499 304 HB1 ABU 104 H931 PA7 25 26.053 32.559 28.199 305 HB2 ABU 104 H932 PA7 25 25.856 31.529 29.598 306 HG1 ABU 104 H921 PA7 25 28.218 31.718 27.647 307 HG2 ABU 104 H922 PA7 25 27.098 30.398 27.868 308 H IMT 105 HN4 PA7 25 27.150 29.652 30.380 309 HB IMT 105 H44 PA7 25 30.960 29.512 30.959 310 HD1 IMT 105 H441 PA7 25 32.527 28.513 32.577 311 HD2 IMT 105 H442 PA7 25 31.930 28.789 34.236 312 HD3 IMT 105 H443 PA7 25 31.874 27.147 33.521 313 H PYB 106 HN3 PA7 25 27.100 27.233 34.353 314 HB1 PYB 106 H33 PA7 25 25.293 26.062 35.895 315 HB PYB 106 H35 PA7 25 29.228 26.727 37.603 316 HD1 PYB 106 H331 PA7 25 27.786 24.277 39.791 317 HD2 PYB 106 H332 PA7 25 29.064 25.515 39.696 318 HD3 PYB 106 H333 PA7 25 27.517 25.899 40.499 319 H PYB 107 HN2 PA7 25 23.912 24.740 37.085 320 HB1 PYB 107 H23 PA7 25 21.591 23.342 37.081 321 HB PYB 107 H25 PA7 25 22.845 25.180 40.799 322 HD1 PYB 107 H221 PA7 25 19.392 24.600 41.421 323 HD2 PYB 107 H222 PA7 25 20.257 23.119 41.932 324 HD3 PYB 107 H223 PA7 25 20.965 24.727 42.248 325 H PYB 108 HN1 PA7 25 19.938 21.987 37.173 326 HB1 PYB 108 H13 PA7 25 18.753 20.257 35.592 327 HB PYB 108 H15 PA7 25 16.583 21.441 39.153 328 HD1 PYB 108 H111 PA7 25 14.633 18.587 37.676 329 HD2 PYB 108 H112 PA7 25 14.804 19.622 39.107 330 HD3 PYB 108 H113 PA7 25 13.997 20.244 37.634 331 H006 9T8 109 H006 PA7 25 11.707 20.166 27.541 332 H004 9T8 109 H004 PA7 25 10.656 18.818 27.030 333 H005 9T8 109 H005 PA7 25 11.236 20.006 25.828 334 HN02 9T8 109 HN02 PA7 25 16.688 17.850 29.789 335 H031 9T8 109 H031 PA7 25 12.345 17.319 28.153 336 H032 9T8 109 H032 PA7 25 13.347 18.726 28.505 337 H052 9T8 109 H052 PA7 25 15.808 15.929 28.898 338 H051 9T8 109 H051 PA7 25 14.259 16.256 29.681 339 H072 9T8 109 H072 PA7 25 15.388 20.058 32.209 340 H071 9T8 109 H071 PA7 25 16.826 19.649 31.268 341 H042 9T8 109 H042 PA7 25 15.191 17.580 27.059 342 H041 9T8 109 H041 PA7 25 14.195 16.141 27.136 343 HN01 9T8 109 HN01 PA7 25 13.502 19.218 26.100 344 H001 9T8 109 H001 PA7 25 13.280 16.969 25.173 345 H002 9T8 109 H002 PA7 25 12.068 18.083 24.493 346 H003 9T8 109 H003 PA7 25 11.590 16.910 25.752 347 H1 9T8 109 HN03 PA7 25 17.810 19.126 34.171 348 H081 9T8 109 H081 PA7 25 17.150 17.569 32.459 349 H082 9T8 109 H082 PA7 25 15.498 17.578 33.088 Start of MODEL 10 1 H5 DCZ 1 H5 DC 1 27.000 10.118 31.437 2 H6 DCZ 1 H6 DC 1 28.451 9.520 29.546 3 HN41 DCZ 1 H41 DC 1 23.505 8.920 31.492 4 HN42 DCZ 1 H42 DC 1 24.731 9.873 32.338 5 H1' DCZ 1 H1' DC 1 27.324 7.232 26.833 6 H2'1 DCZ 1 H2' DC 1 26.968 10.057 26.716 7 H2'2 DCZ 1 H2'' DC 1 27.391 8.945 25.387 8 H3' DCZ 1 H3' DC 1 29.213 10.573 27.193 9 H4' DCZ 1 H4' DC 1 29.914 7.996 25.737 10 H5'1 DCZ 1 H5' DC 1 31.785 7.838 27.289 11 H5'2 DCZ 1 H5'' DC 1 31.880 9.332 26.360 12 HO51 DCZ 1 HO5' DC 1 31.262 10.510 28.189 13 H5' DG 2 H5' DG 2 27.159 9.840 23.293 14 H5'' DG 2 H5'' DG 2 27.546 11.210 22.257 15 H4' DG 2 H4' DG 2 25.319 10.428 21.791 16 H3' DG 2 H3' DG 2 25.966 13.074 22.203 17 H2' DG 2 H2' DG 2 25.133 13.255 24.382 18 H2'' DG 2 H2'' DG 2 23.642 13.673 23.500 19 H1' DG 2 H1' DG 2 22.732 11.514 23.731 20 H8 DG 2 H8 DG 2 25.729 11.670 26.182 21 H1 DG 2 H1 DG 2 19.981 11.441 29.062 22 H21 DG 2 H21 DG 2 18.792 11.665 25.835 23 H22 DG 2 H22 DG 2 18.401 11.618 27.554 24 H5' DA 3 H5' DA 3 21.397 13.180 21.201 25 H5'' DA 3 H5'' DA 3 21.043 14.632 20.255 26 H4' DA 3 H4' DA 3 19.596 14.565 22.192 27 H3' DA 3 H3' DA 3 21.759 16.665 22.297 28 H2' DA 3 H2' DA 3 21.420 17.013 24.500 29 H2'' DA 3 H2'' DA 3 19.648 16.936 24.338 30 H1' DA 3 H1' DA 3 19.479 14.760 24.804 31 H8 DA 3 H8 DA 3 23.340 15.029 25.239 32 H61 DA 3 H61 DA 3 21.912 14.376 31.303 33 H62 DA 3 H62 DA 3 23.263 14.457 30.172 34 H2 DA 3 H2 DA 3 18.197 14.721 29.116 35 H5' DT 4 H5' DT 4 17.380 17.680 23.053 36 H5'' DT 4 H5'' DT 4 16.946 19.377 22.843 37 H4' DT 4 H4' DT 4 16.033 18.486 24.907 38 H3' DT 4 H3' DT 4 18.338 20.379 25.455 39 H2' DT 4 H2' DT 4 17.555 20.298 27.753 40 H2'' DT 4 H2'' DT 4 16.055 19.477 27.285 41 H1' DT 4 H1' DT 4 17.206 17.564 27.668 42 H3 DT 4 H3 DT 4 20.743 17.717 30.411 43 H71 DT 4 H71 DT 4 22.401 19.110 25.415 44 H72 DT 4 H72 DT 4 23.348 19.539 26.855 45 H73 DT 4 H73 DT 4 23.327 17.866 26.291 46 H6 DT 4 H6 DT 4 20.121 18.859 25.773 47 H5' DG 5 H5' DG 5 14.048 20.504 28.174 48 H5'' DG 5 H5'' DG 5 12.988 21.780 27.559 49 H4' DG 5 H4' DG 5 13.370 22.037 29.955 50 H3' DG 5 H3' DG 5 13.540 24.170 28.226 51 H2' DG 5 H2' DG 5 15.907 23.996 27.857 52 H2'' DG 5 H2'' DG 5 15.823 25.221 29.151 53 H1' DG 5 H1' DG 5 16.176 23.637 30.873 54 H8 DG 5 H8 DG 5 17.858 22.943 27.445 55 H1 DG 5 H1 DG 5 21.162 21.062 32.658 56 H21 DG 5 H21 DG 5 20.132 21.840 34.431 57 H22 DG 5 H22 DG 5 18.567 22.623 34.278 58 H5' DT 6 H5' DT 6 12.768 23.825 33.011 59 H5'' DT 6 H5'' DT 6 11.821 24.981 33.941 60 H4' DT 6 H4' DT 6 13.983 25.021 34.836 61 H3' DT 6 H3' DT 6 13.471 27.448 33.154 62 H2' DT 6 H2' DT 6 15.688 27.928 33.085 63 H2'' DT 6 H2'' DT 6 15.869 27.660 34.835 64 H1' DT 6 H1' DT 6 16.374 25.492 34.679 65 H3 DT 6 H3 DT 6 20.420 24.801 32.886 66 H71 DT 6 H71 DT 6 17.282 27.116 29.072 67 H72 DT 6 H72 DT 6 19.049 27.260 29.051 68 H73 DT 6 H73 DT 6 18.294 25.740 28.562 69 H6 DT 6 H6 DT 6 16.350 26.753 31.168 70 H5' DA 7 H5' DA 7 14.992 27.635 37.397 71 H5'' DA 7 H5'' DA 7 14.529 29.070 38.314 72 H4' DA 7 H4' DA 7 16.857 28.480 38.687 73 H3' DA 7 H3' DA 7 16.057 31.094 37.888 74 H2' DA 7 H2' DA 7 17.180 31.043 35.869 75 H2'' DA 7 H2'' DA 7 18.582 31.499 36.868 76 H1' DA 7 H1' DA 7 19.316 29.217 37.086 77 H8 DA 7 H8 DA 7 17.079 29.855 33.963 78 H61 DA 7 H61 DA 7 21.829 27.486 30.745 79 H62 DA 7 H62 DA 7 20.320 28.380 30.598 80 H2 DA 7 H2 DA 7 22.978 27.411 34.927 81 H5' DC 8 H5' DC 8 20.172 30.163 39.574 82 H5'' DC 8 H5'' DC 8 20.759 31.325 40.767 83 H4' DC 8 H4' DC 8 22.575 30.406 39.433 84 H3' DC 8 H3' DC 8 22.101 33.226 39.693 85 H2' DC 8 H2' DC 8 21.990 33.642 37.436 86 H2'' DC 8 H2'' DC 8 23.766 33.443 37.486 87 H1' DC 8 H1' DC 8 23.684 31.182 36.865 88 H41 DC 8 H41 DC 8 21.189 31.256 31.035 89 H42 DC 8 H42 DC 8 19.737 32.062 31.588 90 H5 DC 8 H5 DC 8 19.391 32.737 33.869 91 H6 DC 8 H6 DC 8 20.386 32.762 36.104 92 H5' DA 9 H5' DA 9 26.419 32.069 38.606 93 H5'' DA 9 H5'' DA 9 27.657 33.149 39.246 94 H4' DA 9 H4' DA 9 27.954 32.682 36.872 95 H3' DA 9 H3' DA 9 28.037 35.282 37.937 96 H2' DA 9 H2' DA 9 26.000 35.921 36.966 97 H2'' DA 9 H2'' DA 9 27.077 36.367 35.617 98 H1' DA 9 H1' DA 9 26.766 34.213 34.542 99 H8 DA 9 H8 DA 9 23.804 35.599 36.668 100 H61 DA 9 H61 DA 9 20.604 35.004 31.329 101 H62 DA 9 H62 DA 9 20.468 35.576 32.993 102 H2 DA 9 H2 DA 9 24.533 33.401 30.656 103 H5' DT 10 H5' DT 10 29.122 34.607 33.480 104 H5'' DT 10 H5'' DT 10 30.584 35.500 33.056 105 H4' DT 10 H4' DT 10 29.225 35.607 31.154 106 H3' DT 10 H3' DT 10 28.759 38.173 32.716 107 H2' DT 10 H2' DT 10 27.615 38.903 30.755 108 H2'' DT 10 H2'' DT 10 28.408 37.675 29.735 109 H1' DT 10 H1' DT 10 26.724 36.263 30.132 110 H3 DT 10 H3 DT 10 22.624 37.929 30.238 111 H71 DT 10 H71 DT 10 23.766 39.587 34.731 112 H72 DT 10 H72 DT 10 22.946 38.053 34.995 113 H73 DT 10 H73 DT 10 24.699 38.168 35.271 114 H6 DT 10 H6 DT 10 26.160 37.692 33.511 115 H5' DC 11 H5' DC 11 30.575 39.288 28.996 116 H5'' DC 11 H5'' DC 11 31.726 40.620 29.169 117 H4' DC 11 H4' DC 11 30.005 41.126 27.488 118 H3' DC 11 H3' DC 11 30.759 42.900 29.503 119 H2' DC 11 H2' DC 11 28.882 42.508 30.854 120 H2'' DC 11 H2'' DC 11 28.252 43.868 29.885 121 H1' DC 11 H1' DC 11 27.286 42.409 28.240 122 H41 DC 11 H41 DC 11 23.066 41.221 33.064 123 H42 DC 11 H42 DC 11 22.213 41.233 31.513 124 H5 DC 11 H5 DC 11 25.500 41.087 33.153 125 H6 DC 11 H6 DC 11 27.524 41.240 31.807 126 H5' DG 12 H5' DG 12 30.545 43.597 25.310 127 H5'' DG 12 H5'' DG 12 31.052 45.033 24.421 128 H4' DG 12 H4' DG 12 29.127 43.970 23.359 129 H3' DG 12 H3' DG 12 29.243 46.698 23.872 130 HO3' DG 12 HO3' DG 12 27.639 46.837 22.248 131 H2' DG 12 H2' DG 12 27.852 46.618 25.802 132 H2'' DG 12 H2'' DG 12 26.620 46.936 24.544 133 H1' DG 12 H1' DG 12 26.113 44.615 24.301 134 H8 DG 12 H8 DG 12 27.608 45.251 27.859 135 H1 DG 12 H1 DG 12 21.306 43.860 27.617 136 H21 DG 12 H21 DG 12 20.733 43.586 25.503 137 H22 DG 12 H22 DG 12 21.947 43.613 24.220 138 H5 DCZ 13 H5 DC 13 17.178 43.759 31.035 139 H6 DCZ 13 H6 DC 13 15.677 43.912 29.092 140 HN41 DCZ 13 H41 DC 13 20.827 43.761 30.496 141 HN42 DCZ 13 H42 DC 13 19.534 43.719 31.704 142 H1' DCZ 13 H1' DC 13 16.982 44.602 25.691 143 H2'1 DCZ 13 H2' DC 13 15.491 42.206 26.831 144 H2'2 DCZ 13 H2'' DC 13 16.587 42.275 25.413 145 H3' DCZ 13 H3' DC 13 13.916 42.559 25.048 146 H4' DCZ 13 H4' DC 13 13.867 45.302 25.318 147 H5'1 DCZ 13 H5' DC 13 12.683 45.044 27.445 148 H5'2 DCZ 13 H5'' DC 13 12.137 43.876 26.243 149 HO51 DCZ 13 HO5' DC 13 12.407 42.907 28.336 150 H5' DG 14 H5' DG 14 17.525 41.635 22.140 151 H5'' DG 14 H5'' DG 14 16.388 40.529 21.348 152 H4' DG 14 H4' DG 14 18.009 39.172 22.450 153 H3' DG 14 H3' DG 14 15.262 39.034 23.349 154 H2' DG 14 H2' DG 14 15.829 39.776 25.478 155 H2'' DG 14 H2'' DG 14 16.161 38.026 25.703 156 H1' DG 14 H1' DG 14 18.510 38.362 25.023 157 H8 DG 14 H8 DG 14 16.444 39.814 27.694 158 H1 DG 14 H1 DG 14 22.705 40.877 28.780 159 H21 DG 14 H21 DG 14 23.037 40.119 25.433 160 H22 DG 14 H22 DG 14 23.827 40.656 26.920 161 H5' DA 15 H5' DA 15 18.303 36.989 20.829 162 H5'' DA 15 H5'' DA 15 18.435 35.355 20.181 163 H4' DA 15 H4' DA 15 20.304 35.804 21.656 164 H3' DA 15 H3' DA 15 18.275 33.791 22.655 165 H2' DA 15 H2' DA 15 19.362 33.626 24.650 166 H2'' DA 15 H2'' DA 15 20.974 33.853 23.925 167 H1' DA 15 H1' DA 15 21.003 36.042 24.252 168 H8 DA 15 H8 DA 15 17.297 35.664 25.453 169 H61 DA 15 H61 DA 15 19.944 37.566 30.862 170 H62 DA 15 H62 DA 15 18.365 37.195 30.167 171 H2 DA 15 H2 DA 15 23.055 36.969 27.984 172 H5' DT 16 H5' DT 16 22.681 33.122 21.853 173 H5'' DT 16 H5'' DT 16 23.203 31.457 21.572 174 H4' DT 16 H4' DT 16 24.775 32.671 23.015 175 H3' DT 16 H3' DT 16 23.237 30.395 24.283 176 H2' DT 16 H2' DT 16 24.379 30.822 26.328 177 H2'' DT 16 H2'' DT 16 25.701 31.676 25.504 178 H1' DT 16 H1' DT 16 24.658 33.603 26.000 179 H3 DT 16 H3 DT 16 22.088 34.071 29.632 180 H71 DT 16 H71 DT 16 19.206 31.332 25.895 181 H72 DT 16 H72 DT 16 18.877 31.095 27.628 182 H73 DT 16 H73 DT 16 18.409 32.609 26.845 183 H6 DT 16 H6 DT 16 21.446 31.752 25.457 184 H5' DG 17 H5' DG 17 27.486 29.721 24.999 185 H5'' DG 17 H5'' DG 17 28.027 28.462 23.888 186 H4' DG 17 H4' DG 17 29.225 28.224 25.895 187 H3' DG 17 H3' DG 17 27.916 26.042 24.881 188 H2' DG 17 H2' DG 17 26.022 25.990 26.171 189 H2'' DG 17 H2'' DG 17 27.037 25.202 27.382 190 H1' DG 17 H1' DG 17 27.096 27.030 28.730 191 H8 DG 17 H8 DG 17 24.371 27.417 26.005 192 H1 DG 17 H1 DG 17 23.193 30.515 31.534 193 H21 DG 17 H21 DG 17 24.838 30.066 32.947 194 H22 DG 17 H22 DG 17 26.279 29.212 32.379 195 H5' DT 18 H5' DT 18 30.335 26.497 28.654 196 H5'' DT 18 H5'' DT 18 31.448 25.187 29.054 197 H4' DT 18 H4' DT 18 30.716 26.431 31.029 198 H3' DT 18 H3' DT 18 30.639 23.612 30.812 199 H2' DT 18 H2' DT 18 28.347 23.365 30.955 200 H2'' DT 18 H2'' DT 18 28.629 23.580 32.706 201 H1' DT 18 H1' DT 18 28.150 25.871 32.661 202 H3 DT 18 H3 DT 18 23.785 26.902 32.098 203 H71 DT 18 H71 DT 18 24.191 25.027 27.617 204 H72 DT 18 H72 DT 18 25.263 23.648 27.976 205 H73 DT 18 H73 DT 18 23.597 23.680 28.584 206 H6 DT 18 H6 DT 18 26.850 24.139 29.592 207 H5' DA 19 H5' DA 19 30.359 24.776 35.392 208 H5'' DA 19 H5'' DA 19 31.127 23.530 36.377 209 H4' DA 19 H4' DA 19 28.886 24.080 37.134 210 H3' DA 19 H3' DA 19 29.581 21.337 36.511 211 H2' DA 19 H2' DA 19 27.736 21.001 35.189 212 H2'' DA 19 H2'' DA 19 26.809 21.005 36.709 213 H1' DA 19 H1' DA 19 26.273 23.322 36.536 214 H8 DA 19 H8 DA 19 27.239 21.780 33.093 215 H61 DA 19 H61 DA 19 21.777 24.040 31.184 216 H62 DA 19 H62 DA 19 23.116 22.985 30.740 217 H2 DA 19 H2 DA 19 22.136 24.986 35.404 218 H5' DC 20 H5' DC 20 26.370 22.627 39.483 219 H5'' DC 20 H5'' DC 20 26.125 21.618 40.907 220 H4' DC 20 H4' DC 20 24.016 22.424 39.959 221 H3' DC 20 H3' DC 20 24.525 19.686 40.543 222 H2' DC 20 H2' DC 20 24.313 18.975 38.346 223 H2'' DC 20 H2'' DC 20 22.572 18.995 38.731 224 H1' DC 20 H1' DC 20 22.317 21.251 37.943 225 H41 DC 20 H41 DC 20 22.848 20.216 31.699 226 H42 DC 20 H42 DC 20 24.414 19.465 31.908 227 H5 DC 20 H5 DC 20 25.442 19.080 34.023 228 H6 DC 20 H6 DC 20 25.243 19.467 36.424 229 H5' DA 21 H5' DA 21 19.816 20.192 40.300 230 H5'' DA 21 H5'' DA 21 19.018 18.981 41.298 231 H4' DA 21 H4' DA 21 18.318 19.096 38.908 232 H3' DA 21 H3' DA 21 19.122 16.519 40.107 233 H2' DA 21 H2' DA 21 19.833 15.690 38.099 234 H2'' DA 21 H2'' DA 21 18.232 16.040 37.391 235 H1' DA 21 H1' DA 21 18.842 18.120 36.605 236 H8 DA 21 H8 DA 21 22.296 16.540 37.556 237 H61 DA 21 H61 DA 21 23.136 16.948 31.331 238 H62 DA 21 H62 DA 21 23.953 16.383 32.799 239 H2 DA 21 H2 DA 21 19.263 18.487 32.216 240 H5' DT 22 H5' DT 22 14.594 16.757 37.868 241 H5'' DT 22 H5'' DT 22 13.798 15.216 38.102 242 H4' DT 22 H4' DT 22 13.936 16.109 35.712 243 H3' DT 22 H3' DT 22 14.949 13.365 36.478 244 H2' DT 22 H2' DT 22 15.767 13.048 34.347 245 H2'' DT 22 H2'' DT 22 14.493 14.040 33.591 246 H1' DT 22 H1' DT 22 15.691 15.873 33.596 247 H3 DT 22 H3 DT 22 19.581 14.816 31.544 248 H71 DT 22 H71 DT 22 21.331 14.069 36.026 249 H72 DT 22 H72 DT 22 19.915 13.296 36.775 250 H73 DT 22 H73 DT 22 20.851 12.448 35.524 251 H6 DT 22 H6 DT 22 17.903 14.138 36.013 252 H5' DC 23 H5' DC 23 12.387 13.605 32.911 253 H5'' DC 23 H5'' DC 23 11.313 12.232 32.668 254 H4' DC 23 H4' DC 23 12.590 12.818 30.650 255 H3' DC 23 H3' DC 23 12.301 10.187 31.665 256 H2' DC 23 H2' DC 23 14.561 9.984 32.233 257 H2'' DC 23 H2'' DC 23 14.669 9.436 30.541 258 H1' DC 23 H1' DC 23 15.157 11.666 29.746 259 H41 DC 23 H41 DC 23 20.754 10.840 33.210 260 H42 DC 23 H42 DC 23 21.139 11.197 31.522 261 H5 DC 23 H5 DC 23 18.462 10.852 34.019 262 H6 DC 23 H6 DC 23 16.128 11.092 33.330 263 H5' DG 24 H5' DG 24 14.175 11.059 27.490 264 H5'' DG 24 H5'' DG 24 13.304 10.096 26.294 265 H4' DG 24 H4' DG 24 15.563 10.403 25.547 266 H3' DG 24 H3' DG 24 14.426 7.842 25.768 267 HO3' DG 24 HO3' DG 24 15.971 7.322 24.151 268 H2' DG 24 H2' DG 24 15.700 7.290 27.722 269 H2'' DG 24 H2'' DG 24 16.784 6.663 26.435 270 H1' DG 24 H1' DG 24 17.979 8.770 26.327 271 H8 DG 24 H8 DG 24 16.577 8.406 29.959 272 H1 DG 24 H1 DG 24 22.967 7.859 29.235 273 H21 DG 24 H21 DG 24 23.425 7.747 27.075 274 H22 DG 24 H22 DG 24 22.152 8.008 25.880 275 H85 9U2 100 H85 PA7 25 12.453 22.714 37.199 276 H83 9U2 100 H83 PA7 25 16.181 22.020 33.802 277 H882 9U2 100 H882 PA7 25 13.399 25.565 37.729 278 H883 9U2 100 H883 PA7 25 11.818 24.896 38.159 279 H881 9U2 100 H881 PA7 25 12.301 24.992 36.463 280 H992 9U2 100 H992 PA7 25 14.012 23.619 39.637 281 H993 9U2 100 H993 PA7 25 13.998 21.947 39.065 282 H991 9U2 100 H991 PA7 25 12.493 22.748 39.510 283 H PYB 101 HN7 PA7 25 17.929 24.751 36.462 284 HB1 PYB 101 H73 PA7 25 20.151 26.217 36.878 285 HB PYB 101 H75 PA7 25 17.222 26.030 40.082 286 HD1 PYB 101 H771 PA7 25 19.849 27.208 41.885 287 HD2 PYB 101 H772 PA7 25 19.350 28.741 41.108 288 HD3 PYB 101 H773 PA7 25 18.119 27.589 41.673 289 H PYB 102 HN6 PA7 25 21.889 27.719 37.203 290 HB1 PYB 102 H63 PA7 25 24.112 28.931 36.136 291 HB PYB 102 H65 PA7 25 24.166 27.935 40.353 292 HD1 PYB 102 H661 PA7 25 26.884 30.002 40.259 293 HD2 PYB 102 H662 PA7 25 27.644 28.503 39.644 294 HD3 PYB 102 H663 PA7 25 26.447 28.416 40.954 295 H PYB 103 HN5 PA7 25 25.687 30.222 35.447 296 HB1 PYB 103 H53 PA7 25 26.240 31.706 33.393 297 HB PYB 103 H55 PA7 25 29.579 30.581 35.914 298 HD1 PYB 103 H551 PA7 25 30.992 33.097 33.736 299 HD2 PYB 103 H552 PA7 25 31.291 31.493 33.010 300 HD3 PYB 103 H553 PA7 25 31.443 31.721 34.775 301 H ABU 104 HN9 PA7 25 26.586 32.766 31.776 302 HA1 ABU 104 H942 PA7 25 26.566 34.150 29.800 303 HA2 ABU 104 H943 PA7 25 28.234 33.692 29.423 304 HB1 ABU 104 H931 PA7 25 26.179 32.649 28.103 305 HB2 ABU 104 H932 PA7 25 25.997 31.592 29.485 306 HG1 ABU 104 H921 PA7 25 28.384 31.870 27.571 307 HG2 ABU 104 H922 PA7 25 27.272 30.534 27.697 308 H IMT 105 HN4 PA7 25 27.268 29.756 30.263 309 HB IMT 105 H44 PA7 25 31.070 29.657 30.880 310 HD1 IMT 105 H441 PA7 25 32.005 29.001 34.185 311 HD2 IMT 105 H442 PA7 25 32.018 27.359 33.468 312 HD3 IMT 105 H443 PA7 25 32.636 28.749 32.536 313 H PYB 106 HN3 PA7 25 27.213 27.364 34.295 314 HB1 PYB 106 H33 PA7 25 25.434 26.179 35.875 315 HB PYB 106 H35 PA7 25 29.388 26.893 37.517 316 HD1 PYB 106 H331 PA7 25 27.878 24.475 39.809 317 HD2 PYB 106 H332 PA7 25 29.288 25.526 39.545 318 HD3 PYB 106 H333 PA7 25 27.864 26.157 40.421 319 H PYB 107 HN2 PA7 25 24.089 24.854 37.104 320 HB1 PYB 107 H23 PA7 25 21.753 23.494 37.133 321 HB PYB 107 H25 PA7 25 23.112 25.252 40.856 322 HD1 PYB 107 H221 PA7 25 19.687 24.626 41.574 323 HD2 PYB 107 H222 PA7 25 20.577 23.137 42.013 324 HD3 PYB 107 H223 PA7 25 21.285 24.739 42.355 325 H PYB 108 HN1 PA7 25 20.111 22.170 37.229 326 HB1 PYB 108 H13 PA7 25 18.885 20.465 35.649 327 HB PYB 108 H15 PA7 25 16.807 21.607 39.280 328 HD1 PYB 108 H111 PA7 25 14.201 19.983 37.650 329 HD2 PYB 108 H112 PA7 25 15.200 18.593 38.168 330 HD3 PYB 108 H113 PA7 25 14.983 19.963 39.266 331 H006 9T8 109 H006 PA7 25 10.943 19.438 25.686 332 H004 9T8 109 H004 PA7 25 11.354 19.994 27.328 333 H005 9T8 109 H005 PA7 25 10.376 18.516 27.105 334 HN02 9T8 109 HN02 PA7 25 16.489 17.833 30.112 335 H031 9T8 109 H031 PA7 25 12.047 17.394 28.557 336 H032 9T8 109 H032 PA7 25 13.079 18.822 28.625 337 H052 9T8 109 H052 PA7 25 15.306 15.929 29.637 338 H051 9T8 109 H051 PA7 25 13.833 16.653 30.287 339 H072 9T8 109 H072 PA7 25 15.497 20.411 32.341 340 H071 9T8 109 H071 PA7 25 16.855 19.899 31.332 341 H042 9T8 109 H042 PA7 25 14.928 17.384 27.510 342 H041 9T8 109 H041 PA7 25 13.879 16.000 27.775 343 HN01 9T8 109 HN01 PA7 25 13.229 18.876 26.210 344 H001 9T8 109 H001 PA7 25 11.924 17.371 24.783 345 H002 9T8 109 H002 PA7 25 11.445 16.432 26.223 346 H003 9T8 109 H003 PA7 25 13.153 16.470 25.702 347 H1 9T8 109 HN03 PA7 25 17.871 19.395 34.220 348 H081 9T8 109 H081 PA7 25 17.124 17.828 32.528 349 H082 9T8 109 H082 PA7 25 15.487 17.906 33.191
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