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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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635882 |
6j2w ![]() ![]() |
cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5' DC 1 H5' CYT 1 -8.734 14.000 16.748 2 H5'' DC 1 H5'' CYT 1 -8.609 13.408 15.081 3 H4' DC 1 H4' CYT 1 -6.457 13.819 16.349 4 H3' DC 1 H3' CYT 1 -6.942 12.030 14.334 5 H2' DC 1 H2' CYT 1 -7.080 10.022 15.544 6 H2'' DC 1 H2'' CYT 1 -5.326 10.127 15.470 7 H1' DC 1 H1' CYT 1 -5.144 10.961 17.674 8 H41 DC 1 H41 CYT 1 -8.115 6.610 21.175 9 H42 DC 1 H42 CYT 1 -9.561 6.703 20.194 10 H5 DC 1 H5 CYT 1 -9.776 8.204 18.304 11 H6 DC 1 H6 CYT 1 -8.650 9.912 16.977 12 HO5' DC 1 HO5' CYT 1 -9.075 11.802 17.383 13 H5' DG 2 H5' GUA 2 -2.920 11.961 16.399 14 H5'' DG 2 H5'' GUA 2 -1.710 12.435 15.187 15 H4' DG 2 H4' GUA 2 -0.535 11.134 16.703 16 H3' DG 2 H3' GUA 2 -0.672 10.178 14.127 17 H2' DG 2 H2' GUA 2 -2.122 8.332 14.490 18 H2'' DG 2 H2'' GUA 2 -0.602 7.570 14.941 19 H1' DG 2 H1' GUA 2 -0.961 7.951 17.281 20 H8 DG 2 H8 GUA 2 -4.221 8.133 15.196 21 H1 DG 2 H1 GUA 2 -4.295 4.124 20.215 22 H21 DG 2 H21 GUA 2 -2.405 4.272 21.326 23 H22 DG 2 H22 GUA 2 -1.116 5.350 20.842 24 H5' DG 3 H5' GUA 3 2.031 7.725 17.242 25 H5'' DG 3 H5'' GUA 3 3.587 7.708 16.386 26 H4' DG 3 H4' GUA 3 3.508 5.728 17.635 27 H3' DG 3 H3' GUA 3 3.811 5.524 14.918 28 H2' DG 3 H2' GUA 3 1.631 4.716 14.379 29 H2'' DG 3 H2'' GUA 3 2.416 3.189 14.755 30 H1' DG 3 H1' GUA 3 1.590 3.182 17.026 31 H8 DG 3 H8 GUA 3 -0.428 5.228 14.455 32 H1 DG 3 H1 GUA 3 -3.873 1.382 18.275 33 H21 DG 3 H21 GUA 3 -2.575 0.453 19.782 34 H22 DG 3 H22 GUA 3 -0.856 0.770 19.862 35 H5' DG 4 H5' GUA 4 3.679 1.821 17.455 36 H5'' DG 4 H5'' GUA 4 5.172 0.878 17.265 37 H4' DG 4 H4' GUA 4 3.573 -0.715 17.780 38 H3' DG 4 H3' GUA 4 4.700 -0.942 15.285 39 H2' DG 4 H2' GUA 4 2.762 -0.129 14.071 40 H2'' DG 4 H2'' GUA 4 2.441 -1.857 14.101 41 H1' DG 4 H1' GUA 4 1.100 -1.647 16.180 42 H8 DG 4 H8 GUA 4 1.172 1.341 13.733 43 H1 DG 4 H1 GUA 4 -4.651 -0.554 15.671 44 H21 DG 4 H21 GUA 4 -4.467 -2.145 17.173 45 H22 DG 4 H22 GUA 4 -2.917 -2.753 17.710 46 H5' DG 5 H5' GUA 5 1.661 -4.201 15.885 47 H5'' DG 5 H5'' GUA 5 2.306 -5.806 15.478 48 H4' DG 5 H4' GUA 5 0.084 -5.513 14.572 49 H3' DG 5 H3' GUA 5 2.282 -5.696 12.491 50 H2' DG 5 H2' GUA 5 0.426 -5.804 10.861 51 H2'' DG 5 H2'' GUA 5 -0.777 -5.901 12.139 52 H1' DG 5 H1' GUA 5 -0.691 -3.527 11.838 53 H8 DG 5 H8 GUA 5 3.006 -3.346 12.584 54 H1 DG 5 H1 GUA 5 1.414 -1.428 6.665 55 H21 DG 5 H21 GUA 5 -0.685 -1.926 6.251 56 H22 DG 5 H22 GUA 5 -1.707 -2.728 7.422 57 H5' DC 6 H5' CYT 6 -2.423 -7.018 11.535 58 H5'' DC 6 H5'' CYT 6 -2.655 -8.749 11.858 59 H4' DC 6 H4' CYT 6 -3.249 -8.257 9.587 60 H3' DC 6 H3' CYT 6 -1.564 -10.325 10.212 61 H2' DC 6 H2' CYT 6 0.479 -9.285 9.505 62 H2'' DC 6 H2'' CYT 6 -0.026 -10.034 7.997 63 H1' DC 6 H1' CYT 6 -1.107 -7.991 7.217 64 H41 DC 6 H41 CYT 6 3.919 -4.220 6.483 65 H42 DC 6 H42 CYT 6 4.590 -4.698 8.026 66 H5 DC 6 H5 CYT 6 3.474 -6.240 9.526 67 H6 DC 6 H6 CYT 6 1.496 -7.634 9.843 68 H5' DG 7 H5' GUA 7 -2.143 -9.524 5.932 69 H5'' DG 7 H5'' GUA 7 -2.719 -10.912 4.984 70 H4' DG 7 H4' GUA 7 -1.214 -9.611 3.656 71 H3' DG 7 H3' GUA 7 -0.904 -12.316 3.901 72 H2' DG 7 H2' GUA 7 0.960 -12.272 5.431 73 H2'' DG 7 H2'' GUA 7 1.806 -12.267 3.889 74 H1' DG 7 H1' GUA 7 1.961 -9.829 3.861 75 H8 DG 7 H8 GUA 7 1.843 -11.629 7.267 76 H1 DG 7 H1 GUA 7 6.400 -7.149 6.644 77 H21 DG 7 H21 GUA 7 6.177 -6.109 4.722 78 H22 DG 7 H22 GUA 7 4.912 -6.509 3.580 79 H5' DA 8 H5' ADE 8 -0.327 -10.036 0.275 80 H5'' DA 8 H5'' ADE 8 -0.508 -10.744 -1.344 81 H4' DA 8 H4' ADE 8 1.051 -8.972 -1.506 82 H3' DA 8 H3' ADE 8 1.742 -11.448 -2.396 83 H2' DA 8 H2' ADE 8 3.222 -12.122 -0.664 84 H2'' DA 8 H2'' ADE 8 4.362 -11.220 -1.654 85 H1' DA 8 H1' ADE 8 4.195 -9.264 -0.303 86 H8 DA 8 H8 ADE 8 2.656 -12.245 1.668 87 H61 DA 8 H61 ADE 8 6.982 -10.964 5.914 88 H62 DA 8 H62 ADE 8 5.656 -12.024 5.493 89 H2 DA 8 H2 ADE 8 7.390 -8.002 2.572 90 H5' DA 9 H5' ADE 9 6.212 -8.343 -4.546 91 H5'' DA 9 H5'' ADE 9 6.539 -7.977 -2.840 92 H4' DA 9 H4' ADE 9 4.144 -7.364 -4.514 93 H3' DA 9 H3' ADE 9 6.154 -5.722 -3.622 94 H2' DA 9 H2' ADE 9 5.585 -5.821 -1.278 95 H2'' DA 9 H2'' ADE 9 4.618 -4.445 -1.790 96 H1' DA 9 H1' ADE 9 2.650 -5.850 -2.191 97 H8 DA 9 H8 ADE 9 5.166 -6.911 0.541 98 H61 DA 9 H61 ADE 9 0.190 -7.583 4.168 99 H62 DA 9 H62 ADE 9 1.938 -7.626 4.108 100 H2 DA 9 H2 ADE 9 -1.226 -6.586 0.030 101 H5' DG 10 H5' GUA 10 1.934 -4.258 -3.580 102 H5'' DG 10 H5'' GUA 10 1.794 -2.901 -4.718 103 H4' DG 10 H4' GUA 10 0.099 -2.598 -3.127 104 H3' DG 10 H3' GUA 10 1.950 -0.601 -3.433 105 H2' DG 10 H2' GUA 10 3.159 -0.916 -1.405 106 H2'' DG 10 H2'' GUA 10 1.872 0.122 -0.807 107 H1' DG 10 H1' GUA 10 0.563 -1.748 -0.016 108 H8 DG 10 H8 GUA 10 4.370 -2.124 -0.273 109 H1 DG 10 H1 GUA 10 1.698 -4.679 4.980 110 H21 DG 10 H21 GUA 10 -0.491 -4.590 4.833 111 H22 DG 10 H22 GUA 10 -1.310 -3.904 3.447 112 H5' DC 11 H5' CYT 11 -1.599 -0.024 -0.605 113 H5'' DC 11 H5'' CYT 11 -2.466 1.459 -1.060 114 H4' DC 11 H4' CYT 11 -2.852 1.294 1.207 115 H3' DC 11 H3' CYT 11 -0.855 3.294 0.507 116 H2' DC 11 H2' CYT 11 0.450 3.071 2.387 117 H2'' DC 11 H2'' CYT 11 -0.979 3.351 3.373 118 H1' DC 11 H1' CYT 11 -1.385 1.039 3.677 119 H41 DC 11 H41 CYT 11 4.056 -1.387 5.796 120 H42 DC 11 H42 CYT 11 4.957 -0.746 4.442 121 H5 DC 11 H5 CYT 11 3.927 0.542 2.666 122 H6 DC 11 H6 CYT 11 1.825 1.460 1.829 123 H5' DG 12 H5' GUA 12 -3.631 5.904 3.410 124 H5'' DG 12 H5'' GUA 12 -2.201 6.087 4.447 125 H4' DG 12 H4' GUA 12 -4.947 5.131 5.248 126 H3' DG 12 H3' GUA 12 -4.248 7.742 5.067 127 H2' DG 12 H2' GUA 12 -2.365 7.648 6.586 128 H2'' DG 12 H2'' GUA 12 -3.663 8.126 7.672 129 H1' DG 12 H1' GUA 12 -4.060 5.825 8.371 130 H8 DG 12 H8 GUA 12 -0.594 7.029 7.324 131 H1 DG 12 H1 GUA 12 -0.651 2.944 12.278 132 H21 DG 12 H21 GUA 12 -2.667 2.126 12.561 133 H22 DG 12 H22 GUA 12 -4.014 2.575 11.539 134 H5' DG 13 H5' GUA 13 -8.049 5.920 6.233 135 H5'' DG 13 H5'' GUA 13 -9.583 6.758 5.917 136 H4' DG 13 H4' GUA 13 -9.932 5.499 7.857 137 H3' DG 13 H3' GUA 13 -10.328 8.183 8.026 138 H2' DG 13 H2' GUA 13 -8.285 8.763 9.141 139 H2'' DG 13 H2'' GUA 13 -9.322 8.454 10.529 140 H1' DG 13 H1' GUA 13 -8.518 6.190 10.778 141 H8 DG 13 H8 GUA 13 -6.141 8.609 8.925 142 H1 DG 13 H1 GUA 13 -3.505 5.159 13.658 143 H21 DG 13 H21 GUA 13 -4.973 3.736 14.461 144 H22 DG 13 H22 GUA 13 -6.606 3.624 13.843 145 H5' DG 14 H5' GUA 14 -12.350 4.428 9.092 146 H5'' DG 14 H5'' GUA 14 -14.120 4.305 9.010 147 H4' DG 14 H4' GUA 14 -13.497 2.871 10.731 148 H3' DG 14 H3' GUA 14 -15.159 4.940 11.397 149 H2' DG 14 H2' GUA 14 -13.674 6.323 12.595 150 H2'' DG 14 H2'' GUA 14 -14.068 5.207 13.895 151 H1' DG 14 H1' GUA 14 -12.059 3.993 13.641 152 H8 DG 14 H8 GUA 14 -11.911 7.339 11.696 153 H1 DG 14 H1 GUA 14 -6.996 6.170 15.663 154 H21 DG 14 H21 GUA 14 -7.208 4.178 16.561 155 H22 DG 14 H22 GUA 14 -8.553 3.121 16.194 156 H5' DT 15 H5' THY 15 -14.762 2.962 16.393 157 H5'' DT 15 H5'' THY 15 -14.008 3.141 14.794 158 H4' DT 15 H4' THY 15 -14.939 0.552 16.037 159 H3' DT 15 H3' THY 15 -12.349 1.912 16.212 160 H2' DT 15 H2' THY 15 -11.140 0.354 15.023 161 H2'' DT 15 H2'' THY 15 -11.887 -0.950 15.934 162 H1' DT 15 H1' THY 15 -13.480 -1.337 14.266 163 H3 DT 15 H3 THY 15 -10.498 1.588 11.002 164 H71 DT 15 H51 THY 15 -10.813 -2.985 9.677 165 H72 DT 15 H52 THY 15 -12.323 -2.361 8.970 166 H73 DT 15 H53 THY 15 -12.380 -3.443 10.383 167 H6 DT 15 H6 THY 15 -12.921 -2.303 12.329 168 H5' DC 16 H5' CYT 16 -12.854 -3.783 17.389 169 H5'' DC 16 H5'' CYT 16 -12.964 -3.470 19.135 170 H4' DC 16 H4' CYT 16 -11.098 -4.873 18.793 171 H3' DC 16 H3' CYT 16 -10.195 -2.023 19.327 172 H2' DC 16 H2' CYT 16 -7.953 -2.990 19.448 173 H2'' DC 16 H2'' CYT 16 -8.578 -4.633 19.464 174 H1' DC 16 H1' CYT 16 -8.303 -4.455 17.125 175 H41 DC 16 H41 CYT 16 -5.799 1.053 15.144 176 H42 DC 16 H42 CYT 16 -7.404 1.739 15.011 177 H5 DC 16 H5 CYT 16 -9.397 0.574 15.750 178 H6 DC 16 H6 CYT 16 -10.250 -1.478 16.758 179 H5' DC 17 H5' CYT 17 -7.153 -5.663 20.569 180 H5'' DC 17 H5'' CYT 17 -7.460 -6.159 22.246 181 H4' DC 17 H4' CYT 17 -5.197 -5.503 22.105 182 H3' DC 17 H3' CYT 17 -6.830 -4.297 23.953 183 H2' DC 17 H2' CYT 17 -7.030 -2.156 22.923 184 H2'' DC 17 H2'' CYT 17 -5.522 -1.903 23.793 185 H1' DC 17 H1' CYT 17 -4.185 -2.418 21.857 186 H41 DC 17 H41 CYT 17 -5.891 2.187 17.865 187 H42 DC 17 H42 CYT 17 -7.589 1.968 18.228 188 H5 DC 17 H5 CYT 17 -8.400 0.261 19.748 189 H6 DC 17 H6 CYT 17 -7.744 -1.569 21.222 190 H5' DC 18 H5' CYT 18 -2.311 -2.954 23.905 191 H5'' DC 18 H5'' CYT 18 -1.761 -3.132 25.585 192 H4' DC 18 H4' CYT 18 -0.607 -1.290 24.721 193 H3' DC 18 H3' CYT 18 -2.214 -0.883 26.926 194 H2' DC 18 H2' CYT 18 -3.933 0.365 25.815 195 H2'' DC 18 H2'' CYT 18 -2.826 1.670 26.221 196 H1' DC 18 H1' CYT 18 -1.723 1.552 24.045 197 H41 DC 18 H41 CYT 18 -6.424 3.631 20.354 198 H42 DC 18 H42 CYT 18 -7.597 2.618 21.163 199 H5 DC 18 H5 CYT 18 -7.010 1.085 22.943 200 H6 DC 18 H6 CYT 18 -5.180 0.222 24.309 201 H5' DG 19 H5' GUA 19 0.441 2.849 25.446 202 H5'' DG 19 H5'' GUA 19 1.297 3.256 26.948 203 H4' DG 19 H4' GUA 19 1.026 5.282 25.826 204 H3' DG 19 H3' GUA 19 -0.136 5.062 28.305 205 HO3' DG 19 HO3' GUA 19 -0.080 7.359 28.198 206 H2' DG 19 H2' GUA 19 -2.409 4.901 27.554 207 H2'' DG 19 H2'' GUA 19 -2.249 6.647 27.687 208 H1' DG 19 H1' GUA 19 -1.655 6.878 25.324 209 H8 DG 19 H8 GUA 19 -3.812 3.807 26.259 210 H1 DG 19 H1 GUA 19 -6.015 7.420 21.428 211 H21 DG 19 H21 GUA 19 -4.582 9.017 20.963 212 H22 DG 19 H22 GUA 19 -3.078 9.209 21.834 213 HD1 B2U 101 HD1 OTA 20 -5.099 -3.882 13.758 214 HE1 B2U 101 HE1 OTA 20 -6.886 -5.144 14.925 215 HZ B2U 101 HZ OTA 20 -9.245 -4.394 14.760 216 HE2 B2U 101 HE2 OTA 20 -9.816 -2.388 13.420 217 HD2 B2U 101 HD2 OTA 20 -8.029 -1.123 12.256 218 HB1 B2U 101 HB1 OTA 20 -5.497 -0.665 12.603 219 HB2 B2U 101 HB2 OTA 20 -4.480 -2.124 12.566 220 HAM B2U 101 HAM OTA 20 -6.542 -1.263 10.493 221 H B2U 101 H OTA 20 -3.814 -1.820 9.663 222 HAB B2U 101 HAB OTA 20 -1.900 -0.187 11.140 223 HAH B2U 101 HAH OTA 20 1.196 1.377 7.730 224 HAG B2U 101 HAG OTA 20 0.850 2.730 8.832 225 HAI B2U 101 HAI OTA 20 -0.397 3.896 7.158 226 HA2 B2U 101 HA2 OTA 20 2.144 3.837 6.933 227 HA3 B2U 101 HA3 OTA 20 1.264 4.238 5.439 228 HA1 B2U 101 HA1 OTA 20 1.925 2.603 5.670 Start of MODEL 2 1 H5' DC 1 H5' CYT 1 -8.685 14.023 17.174 2 H5'' DC 1 H5'' CYT 1 -8.401 13.937 15.427 3 H4' DC 1 H4' CYT 1 -6.330 13.987 16.716 4 H3' DC 1 H3' CYT 1 -6.771 12.351 14.567 5 H2' DC 1 H2' CYT 1 -7.037 10.283 15.691 6 H2'' DC 1 H2'' CYT 1 -5.280 10.313 15.611 7 H1' DC 1 H1' CYT 1 -5.060 11.133 17.850 8 H41 DC 1 H41 CYT 1 -7.804 6.540 21.221 9 H42 DC 1 H42 CYT 1 -9.259 6.598 20.253 10 H5 DC 1 H5 CYT 1 -9.556 8.146 18.412 11 H6 DC 1 H6 CYT 1 -8.516 9.947 17.135 12 HO5' DC 1 HO5' CYT 1 -10.045 12.499 16.162 13 H5' DG 2 H5' GUA 2 -2.498 11.976 16.637 14 H5'' DG 2 H5'' GUA 2 -1.410 12.336 15.280 15 H4' DG 2 H4' GUA 2 -0.269 10.821 16.665 16 H3' DG 2 H3' GUA 2 -0.713 10.117 14.045 17 H2' DG 2 H2' GUA 2 -2.342 8.417 14.412 18 H2'' DG 2 H2'' GUA 2 -0.884 7.458 14.631 19 H1' DG 2 H1' GUA 2 -0.940 7.703 17.041 20 H8 DG 2 H8 GUA 2 -4.337 8.168 15.252 21 H1 DG 2 H1 GUA 2 -4.313 4.111 20.232 22 H21 DG 2 H21 GUA 2 -2.338 4.110 21.194 23 H22 DG 2 H22 GUA 2 -1.016 5.101 20.622 24 H5' DG 3 H5' GUA 3 2.019 7.607 16.728 25 H5'' DG 3 H5'' GUA 3 3.615 7.561 15.950 26 H4' DG 3 H4' GUA 3 3.565 5.635 17.232 27 H3' DG 3 H3' GUA 3 3.745 5.254 14.527 28 H2' DG 3 H2' GUA 3 1.533 4.468 14.124 29 H2'' DG 3 H2'' GUA 3 2.296 2.947 14.568 30 H1' DG 3 H1' GUA 3 1.550 3.096 16.858 31 H8 DG 3 H8 GUA 3 -0.511 5.110 14.287 32 H1 DG 3 H1 GUA 3 -3.896 1.466 18.353 33 H21 DG 3 H21 GUA 3 -2.559 0.551 19.836 34 H22 DG 3 H22 GUA 3 -0.832 0.827 19.839 35 H5' DG 4 H5' GUA 4 3.561 1.702 17.239 36 H5'' DG 4 H5'' GUA 4 5.019 0.700 17.071 37 H4' DG 4 H4' GUA 4 3.387 -0.820 17.667 38 H3' DG 4 H3' GUA 4 4.439 -1.168 15.148 39 H2' DG 4 H2' GUA 4 2.492 -0.349 13.960 40 H2'' DG 4 H2'' GUA 4 2.119 -2.064 14.071 41 H1' DG 4 H1' GUA 4 0.852 -1.730 16.177 42 H8 DG 4 H8 GUA 4 0.930 1.150 13.602 43 H1 DG 4 H1 GUA 4 -4.877 -0.485 15.807 44 H21 DG 4 H21 GUA 4 -4.688 -2.020 17.365 45 H22 DG 4 H22 GUA 4 -3.140 -2.653 17.875 46 H5' DG 5 H5' GUA 5 1.399 -4.414 15.812 47 H5'' DG 5 H5'' GUA 5 2.059 -6.016 15.420 48 H4' DG 5 H4' GUA 5 -0.131 -5.739 14.449 49 H3' DG 5 H3' GUA 5 2.127 -5.878 12.428 50 H2' DG 5 H2' GUA 5 0.331 -5.972 10.741 51 H2'' DG 5 H2'' GUA 5 -0.915 -6.105 11.975 52 H1' DG 5 H1' GUA 5 -0.852 -3.727 11.717 53 H8 DG 5 H8 GUA 5 2.823 -3.521 12.572 54 H1 DG 5 H1 GUA 5 1.375 -1.491 6.652 55 H21 DG 5 H21 GUA 5 -0.707 -1.996 6.169 56 H22 DG 5 H22 GUA 5 -1.753 -2.833 7.294 57 H5' DC 6 H5' CYT 6 -2.528 -7.229 11.297 58 H5'' DC 6 H5'' CYT 6 -2.754 -8.968 11.578 59 H4' DC 6 H4' CYT 6 -3.274 -8.435 9.296 60 H3' DC 6 H3' CYT 6 -1.594 -10.502 9.938 61 H2' DC 6 H2' CYT 6 0.464 -9.436 9.323 62 H2'' DC 6 H2'' CYT 6 0.014 -10.156 7.782 63 H1' DC 6 H1' CYT 6 -1.053 -8.105 7.008 64 H41 DC 6 H41 CYT 6 3.968 -4.286 6.532 65 H42 DC 6 H42 CYT 6 4.581 -4.783 8.093 66 H5 DC 6 H5 CYT 6 3.424 -6.366 9.518 67 H6 DC 6 H6 CYT 6 1.445 -7.777 9.735 68 H5' DG 7 H5' GUA 7 -2.012 -9.634 5.633 69 H5'' DG 7 H5'' GUA 7 -2.519 -11.023 4.648 70 H4' DG 7 H4' GUA 7 -0.969 -9.681 3.408 71 H3' DG 7 H3' GUA 7 -0.641 -12.381 3.635 72 H2' DG 7 H2' GUA 7 1.145 -12.341 5.253 73 H2'' DG 7 H2'' GUA 7 2.066 -12.303 3.755 74 H1' DG 7 H1' GUA 7 2.197 -9.861 3.772 75 H8 DG 7 H8 GUA 7 1.943 -11.718 7.140 76 H1 DG 7 H1 GUA 7 6.429 -7.133 6.810 77 H21 DG 7 H21 GUA 7 6.280 -6.070 4.893 78 H22 DG 7 H22 GUA 7 5.082 -6.479 3.685 79 H5' DA 8 H5' ADE 8 0.081 -10.036 0.077 80 H5'' DA 8 H5'' ADE 8 -0.007 -10.720 -1.560 81 H4' DA 8 H4' ADE 8 1.529 -8.921 -1.615 82 H3' DA 8 H3' ADE 8 2.304 -11.368 -2.505 83 H2' DA 8 H2' ADE 8 3.706 -12.046 -0.708 84 H2'' DA 8 H2'' ADE 8 4.879 -11.111 -1.628 85 H1' DA 8 H1' ADE 8 4.611 -9.175 -0.258 86 H8 DA 8 H8 ADE 8 3.030 -12.211 1.593 87 H61 DA 8 H61 ADE 8 7.097 -10.895 6.077 88 H62 DA 8 H62 ADE 8 5.816 -11.975 5.573 89 H2 DA 8 H2 ADE 8 7.626 -7.889 2.791 90 H5' DA 9 H5' ADE 9 6.828 -8.160 -4.391 91 H5'' DA 9 H5'' ADE 9 7.059 -7.806 -2.666 92 H4' DA 9 H4' ADE 9 4.742 -7.212 -4.456 93 H3' DA 9 H3' ADE 9 6.677 -5.552 -3.449 94 H2' DA 9 H2' ADE 9 5.992 -5.675 -1.138 95 H2'' DA 9 H2'' ADE 9 5.027 -4.313 -1.689 96 H1' DA 9 H1' ADE 9 3.103 -5.753 -2.192 97 H8 DA 9 H8 ADE 9 5.503 -6.807 0.645 98 H61 DA 9 H61 ADE 9 0.368 -7.654 4.004 99 H62 DA 9 H62 ADE 9 2.117 -7.660 4.032 100 H2 DA 9 H2 ADE 9 -0.862 -6.600 -0.179 101 H5' DG 10 H5' GUA 10 2.431 -4.175 -3.618 102 H5'' DG 10 H5'' GUA 10 2.309 -2.803 -4.740 103 H4' DG 10 H4' GUA 10 0.532 -2.572 -3.231 104 H3' DG 10 H3' GUA 10 2.335 -0.518 -3.417 105 H2' DG 10 H2' GUA 10 3.460 -0.834 -1.341 106 H2'' DG 10 H2'' GUA 10 2.118 0.158 -0.786 107 H1' DG 10 H1' GUA 10 0.828 -1.757 -0.087 108 H8 DG 10 H8 GUA 10 4.652 -2.034 -0.171 109 H1 DG 10 H1 GUA 10 1.810 -4.728 4.920 110 H21 DG 10 H21 GUA 10 -0.371 -4.694 4.672 111 H22 DG 10 H22 GUA 10 -1.144 -4.009 3.259 112 H5' DC 11 H5' CYT 11 -1.360 -0.094 -0.755 113 H5'' DC 11 H5'' CYT 11 -2.252 1.366 -1.235 114 H4' DC 11 H4' CYT 11 -2.750 1.138 1.011 115 H3' DC 11 H3' CYT 11 -0.816 3.238 0.441 116 H2' DC 11 H2' CYT 11 0.388 3.052 2.395 117 H2'' DC 11 H2'' CYT 11 -1.107 3.243 3.299 118 H1' DC 11 H1' CYT 11 -1.399 0.902 3.551 119 H41 DC 11 H41 CYT 11 4.058 -1.290 5.871 120 H42 DC 11 H42 CYT 11 4.983 -0.581 4.566 121 H5 DC 11 H5 CYT 11 3.967 0.690 2.770 122 H6 DC 11 H6 CYT 11 1.862 1.520 1.860 123 H5' DG 12 H5' GUA 12 -3.882 5.671 3.184 124 H5'' DG 12 H5'' GUA 12 -2.525 5.923 4.302 125 H4' DG 12 H4' GUA 12 -5.257 4.814 4.944 126 H3' DG 12 H3' GUA 12 -4.641 7.466 4.812 127 H2' DG 12 H2' GUA 12 -2.980 7.525 6.527 128 H2'' DG 12 H2'' GUA 12 -4.422 7.800 7.495 129 H1' DG 12 H1' GUA 12 -4.597 5.474 8.121 130 H8 DG 12 H8 GUA 12 -1.185 6.979 7.286 131 H1 DG 12 H1 GUA 12 -1.191 2.778 12.144 132 H21 DG 12 H21 GUA 12 -3.157 1.813 12.305 133 H22 DG 12 H22 GUA 12 -4.479 2.191 11.222 134 H5' DG 13 H5' GUA 13 -8.451 5.856 6.320 135 H5'' DG 13 H5'' GUA 13 -9.959 6.763 6.079 136 H4' DG 13 H4' GUA 13 -10.249 5.552 8.058 137 H3' DG 13 H3' GUA 13 -10.502 8.259 8.196 138 H2' DG 13 H2' GUA 13 -8.387 8.757 9.211 139 H2'' DG 13 H2'' GUA 13 -9.365 8.504 10.650 140 H1' DG 13 H1' GUA 13 -8.638 6.215 10.883 141 H8 DG 13 H8 GUA 13 -6.267 8.458 8.807 142 H1 DG 13 H1 GUA 13 -3.538 5.137 13.579 143 H21 DG 13 H21 GUA 13 -5.020 3.823 14.528 144 H22 DG 13 H22 GUA 13 -6.685 3.752 13.999 145 H5' DG 14 H5' GUA 14 -12.593 4.619 9.425 146 H5'' DG 14 H5'' GUA 14 -14.367 4.541 9.369 147 H4' DG 14 H4' GUA 14 -13.724 3.124 11.112 148 H3' DG 14 H3' GUA 14 -15.387 5.196 11.720 149 H2' DG 14 H2' GUA 14 -13.943 6.627 12.894 150 H2'' DG 14 H2'' GUA 14 -14.294 5.524 14.218 151 H1' DG 14 H1' GUA 14 -12.236 4.392 13.992 152 H8 DG 14 H8 GUA 14 -12.265 7.649 11.906 153 H1 DG 14 H1 GUA 14 -7.115 6.749 15.637 154 H21 DG 14 H21 GUA 14 -7.229 4.788 16.619 155 H22 DG 14 H22 GUA 14 -8.566 3.690 16.368 156 H5' DT 15 H5' THY 15 -14.994 3.227 16.762 157 H5'' DT 15 H5'' THY 15 -14.236 3.428 15.168 158 H4' DT 15 H4' THY 15 -15.171 0.822 16.372 159 H3' DT 15 H3' THY 15 -12.584 2.181 16.577 160 H2' DT 15 H2' THY 15 -11.369 0.651 15.359 161 H2'' DT 15 H2'' THY 15 -12.111 -0.672 16.247 162 H1' DT 15 H1' THY 15 -13.700 -1.039 14.572 163 H3 DT 15 H3 THY 15 -10.866 2.006 11.287 164 H71 DT 15 H51 THY 15 -11.664 -3.218 10.865 165 H72 DT 15 H52 THY 15 -11.092 -2.210 9.513 166 H73 DT 15 H53 THY 15 -12.838 -2.442 9.776 167 H6 DT 15 H6 THY 15 -12.997 -2.026 12.689 168 H5' DC 16 H5' CYT 16 -13.108 -3.549 17.691 169 H5'' DC 16 H5'' CYT 16 -13.182 -3.233 19.437 170 H4' DC 16 H4' CYT 16 -11.328 -4.645 19.056 171 H3' DC 16 H3' CYT 16 -10.404 -1.800 19.579 172 H2' DC 16 H2' CYT 16 -8.168 -2.774 19.657 173 H2'' DC 16 H2'' CYT 16 -8.796 -4.415 19.696 174 H1' DC 16 H1' CYT 16 -8.575 -4.267 17.353 175 H41 DC 16 H41 CYT 16 -5.980 1.159 15.273 176 H42 DC 16 H42 CYT 16 -7.569 1.882 15.163 177 H5 DC 16 H5 CYT 16 -9.577 0.774 15.948 178 H6 DC 16 H6 CYT 16 -10.459 -1.247 16.992 179 H5' DC 17 H5' CYT 17 -7.354 -5.468 20.761 180 H5'' DC 17 H5'' CYT 17 -7.678 -5.991 22.428 181 H4' DC 17 H4' CYT 17 -5.411 -5.370 22.341 182 H3' DC 17 H3' CYT 17 -7.050 -4.112 24.144 183 H2' DC 17 H2' CYT 17 -7.169 -1.972 23.116 184 H2'' DC 17 H2'' CYT 17 -5.661 -1.762 23.996 185 H1' DC 17 H1' CYT 17 -4.317 -2.315 22.072 186 H41 DC 17 H41 CYT 17 -5.866 2.286 18.012 187 H42 DC 17 H42 CYT 17 -7.570 2.128 18.381 188 H5 DC 17 H5 CYT 17 -8.435 0.470 19.921 189 H6 DC 17 H6 CYT 17 -7.841 -1.366 21.414 190 H5' DC 18 H5' CYT 18 -2.734 -2.980 23.901 191 H5'' DC 18 H5'' CYT 18 -1.914 -3.281 25.447 192 H4' DC 18 H4' CYT 18 -0.725 -1.520 24.554 193 H3' DC 18 H3' CYT 18 -2.110 -0.936 26.858 194 H2' DC 18 H2' CYT 18 -3.804 0.436 25.859 195 H2'' DC 18 H2'' CYT 18 -2.560 1.649 26.139 196 H1' DC 18 H1' CYT 18 -1.664 1.404 23.876 197 H41 DC 18 H41 CYT 18 -6.485 3.731 20.507 198 H42 DC 18 H42 CYT 18 -7.658 2.799 21.411 199 H5 DC 18 H5 CYT 18 -7.038 1.258 23.176 200 H6 DC 18 H6 CYT 18 -5.171 0.305 24.426 201 H5' DG 19 H5' GUA 19 0.699 2.532 25.070 202 H5'' DG 19 H5'' GUA 19 1.719 2.889 26.480 203 H4' DG 19 H4' GUA 19 1.509 4.913 25.335 204 H3' DG 19 H3' GUA 19 0.578 4.830 27.914 205 HO3' DG 19 HO3' GUA 19 1.230 6.859 27.877 206 H2' DG 19 H2' GUA 19 -1.764 4.842 27.390 207 H2'' DG 19 H2'' GUA 19 -1.454 6.572 27.459 208 H1' DG 19 H1' GUA 19 -1.086 6.710 25.045 209 H8 DG 19 H8 GUA 19 -3.374 3.857 26.292 210 H1 DG 19 H1 GUA 19 -5.718 7.451 21.514 211 H21 DG 19 H21 GUA 19 -4.210 8.903 20.851 212 H22 DG 19 H22 GUA 19 -2.620 9.000 21.576 213 HD1 B2U 101 HD1 OTA 20 -5.601 -3.959 13.882 214 HE1 B2U 101 HE1 OTA 20 -7.583 -5.141 14.791 215 HZ B2U 101 HZ OTA 20 -9.835 -4.119 14.591 216 HE2 B2U 101 HE2 OTA 20 -10.105 -1.919 13.479 217 HD2 B2U 101 HD2 OTA 20 -8.122 -0.738 12.569 218 HB1 B2U 101 HB1 OTA 20 -5.782 -0.535 12.754 219 HB2 B2U 101 HB2 OTA 20 -4.746 -1.898 13.240 220 HAM B2U 101 HAM OTA 20 -6.404 -2.122 10.727 221 H B2U 101 H OTA 20 -4.578 -0.032 10.976 222 HAB B2U 101 HAB OTA 20 -1.929 -0.859 10.640 223 HAH B2U 101 HAH OTA 20 0.437 2.658 8.752 224 HAG B2U 101 HAG OTA 20 0.983 1.481 7.535 225 HAI B2U 101 HAI OTA 20 -0.936 3.803 7.155 226 HA2 B2U 101 HA2 OTA 20 1.509 3.079 5.517 227 HA3 B2U 101 HA3 OTA 20 1.672 3.987 7.039 228 HA1 B2U 101 HA1 OTA 20 0.715 4.661 5.698 Start of MODEL 3 1 H5' DC 1 H5' CYT 1 -8.433 14.020 17.001 2 H5'' DC 1 H5'' CYT 1 -8.336 13.701 15.259 3 H4' DC 1 H4' CYT 1 -6.144 13.851 16.358 4 H3' DC 1 H3' CYT 1 -6.812 12.047 14.413 5 H2' DC 1 H2' CYT 1 -6.979 10.069 15.670 6 H2'' DC 1 H2'' CYT 1 -5.227 10.094 15.512 7 H1' DC 1 H1' CYT 1 -4.904 10.962 17.688 8 H41 DC 1 H41 CYT 1 -7.926 6.901 21.481 9 H42 DC 1 H42 CYT 1 -9.412 7.042 20.569 10 H5 DC 1 H5 CYT 1 -9.633 8.468 18.623 11 H6 DC 1 H6 CYT 1 -8.482 10.063 17.178 12 HO5' DC 1 HO5' CYT 1 -9.884 12.443 16.659 13 H5' DG 2 H5' GUA 2 -2.690 11.860 16.279 14 H5'' DG 2 H5'' GUA 2 -1.529 12.253 14.993 15 H4' DG 2 H4' GUA 2 -0.330 10.944 16.495 16 H3' DG 2 H3' GUA 2 -0.627 9.945 13.956 17 H2' DG 2 H2' GUA 2 -2.128 8.164 14.422 18 H2'' DG 2 H2'' GUA 2 -0.622 7.350 14.820 19 H1' DG 2 H1' GUA 2 -0.863 7.790 17.174 20 H8 DG 2 H8 GUA 2 -4.200 8.070 15.232 21 H1 DG 2 H1 GUA 2 -4.237 4.211 20.366 22 H21 DG 2 H21 GUA 2 -2.293 4.293 21.385 23 H22 DG 2 H22 GUA 2 -0.976 5.292 20.813 24 H5' DG 3 H5' GUA 3 2.107 7.458 17.017 25 H5'' DG 3 H5'' GUA 3 3.628 7.358 16.105 26 H4' DG 3 H4' GUA 3 3.513 5.413 17.408 27 H3' DG 3 H3' GUA 3 3.718 5.134 14.688 28 H2' DG 3 H2' GUA 3 1.492 4.404 14.242 29 H2'' DG 3 H2'' GUA 3 2.231 2.853 14.625 30 H1' DG 3 H1' GUA 3 1.494 2.930 16.924 31 H8 DG 3 H8 GUA 3 -0.546 4.952 14.356 32 H1 DG 3 H1 GUA 3 -3.975 1.370 18.437 33 H21 DG 3 H21 GUA 3 -2.654 0.463 19.937 34 H22 DG 3 H22 GUA 3 -0.925 0.728 19.948 35 H5' DG 4 H5' GUA 4 3.498 1.493 17.295 36 H5'' DG 4 H5'' GUA 4 4.947 0.488 17.086 37 H4' DG 4 H4' GUA 4 3.306 -1.035 17.663 38 H3' DG 4 H3' GUA 4 4.341 -1.332 15.132 39 H2' DG 4 H2' GUA 4 2.395 -0.472 13.973 40 H2'' DG 4 H2'' GUA 4 2.009 -2.186 14.046 41 H1' DG 4 H1' GUA 4 0.753 -1.890 16.165 42 H8 DG 4 H8 GUA 4 0.845 1.048 13.659 43 H1 DG 4 H1 GUA 4 -4.965 -0.584 15.856 44 H21 DG 4 H21 GUA 4 -4.782 -2.155 17.379 45 H22 DG 4 H22 GUA 4 -3.237 -2.813 17.867 46 H5' DG 5 H5' GUA 5 1.286 -4.555 15.712 47 H5'' DG 5 H5'' GUA 5 1.938 -6.158 15.310 48 H4' DG 5 H4' GUA 5 -0.237 -5.857 14.316 49 H3' DG 5 H3' GUA 5 2.044 -5.979 12.320 50 H2' DG 5 H2' GUA 5 0.271 -6.042 10.608 51 H2'' DG 5 H2'' GUA 5 -0.992 -6.189 11.823 52 H1' DG 5 H1' GUA 5 -0.920 -3.809 11.602 53 H8 DG 5 H8 GUA 5 2.737 -3.608 12.512 54 H1 DG 5 H1 GUA 5 1.405 -1.553 6.575 55 H21 DG 5 H21 GUA 5 -0.666 -2.052 6.049 56 H22 DG 5 H22 GUA 5 -1.737 -2.892 7.147 57 H5' DC 6 H5' CYT 6 -2.603 -7.299 11.116 58 H5'' DC 6 H5'' CYT 6 -2.838 -9.041 11.370 59 H4' DC 6 H4' CYT 6 -3.329 -8.483 9.094 60 H3' DC 6 H3' CYT 6 -1.647 -10.556 9.724 61 H2' DC 6 H2' CYT 6 0.409 -9.467 9.149 62 H2'' DC 6 H2'' CYT 6 -0.016 -10.172 7.596 63 H1' DC 6 H1' CYT 6 -1.091 -8.126 6.833 64 H41 DC 6 H41 CYT 6 3.965 -4.358 6.389 65 H42 DC 6 H42 CYT 6 4.572 -4.873 7.946 66 H5 DC 6 H5 CYT 6 3.385 -6.431 9.374 67 H6 DC 6 H6 CYT 6 1.390 -7.820 9.582 68 H5' DG 7 H5' GUA 7 -1.991 -9.650 5.433 69 H5'' DG 7 H5'' GUA 7 -2.480 -11.028 4.425 70 H4' DG 7 H4' GUA 7 -0.898 -9.671 3.234 71 H3' DG 7 H3' GUA 7 -0.592 -12.378 3.432 72 H2' DG 7 H2' GUA 7 1.161 -12.379 5.078 73 H2'' DG 7 H2'' GUA 7 2.111 -12.320 3.600 74 H1' DG 7 H1' GUA 7 2.246 -9.882 3.643 75 H8 DG 7 H8 GUA 7 1.963 -11.783 6.979 76 H1 DG 7 H1 GUA 7 6.418 -7.162 6.804 77 H21 DG 7 H21 GUA 7 6.305 -6.075 4.901 78 H22 DG 7 H22 GUA 7 5.138 -6.474 3.661 79 H5' DA 8 H5' ADE 8 0.219 -9.988 -0.090 80 H5'' DA 8 H5'' ADE 8 0.164 -10.654 -1.735 81 H4' DA 8 H4' ADE 8 1.704 -8.859 -1.744 82 H3' DA 8 H3' ADE 8 2.500 -11.300 -2.631 83 H2' DA 8 H2' ADE 8 3.862 -11.985 -0.798 84 H2'' DA 8 H2'' ADE 8 5.056 -11.051 -1.687 85 H1' DA 8 H1' ADE 8 4.752 -9.118 -0.309 86 H8 DA 8 H8 ADE 8 3.135 -12.176 1.470 87 H61 DA 8 H61 ADE 8 7.035 -10.864 6.100 88 H62 DA 8 H62 ADE 8 5.778 -11.947 5.547 89 H2 DA 8 H2 ADE 8 7.660 -7.832 2.853 90 H5' DA 9 H5' ADE 9 7.059 -8.041 -4.373 91 H5'' DA 9 H5'' ADE 9 7.236 -7.702 -2.639 92 H4' DA 9 H4' ADE 9 4.961 -7.118 -4.489 93 H3' DA 9 H3' ADE 9 6.851 -5.438 -3.431 94 H2' DA 9 H2' ADE 9 6.109 -5.573 -1.135 95 H2'' DA 9 H2'' ADE 9 5.141 -4.222 -1.710 96 H1' DA 9 H1' ADE 9 3.246 -5.685 -2.253 97 H8 DA 9 H8 ADE 9 5.607 -6.747 0.618 98 H61 DA 9 H61 ADE 9 0.423 -7.678 3.878 99 H62 DA 9 H62 ADE 9 2.172 -7.677 3.930 100 H2 DA 9 H2 ADE 9 -0.745 -6.562 -0.308 101 H5' DG 10 H5' GUA 10 2.588 -4.112 -3.733 102 H5'' DG 10 H5'' GUA 10 2.496 -2.742 -4.861 103 H4' DG 10 H4' GUA 10 0.660 -2.518 -3.420 104 H3' DG 10 H3' GUA 10 2.467 -0.465 -3.516 105 H2' DG 10 H2' GUA 10 3.501 -0.774 -1.393 106 H2'' DG 10 H2'' GUA 10 2.122 0.192 -0.886 107 H1' DG 10 H1' GUA 10 0.854 -1.756 -0.225 108 H8 DG 10 H8 GUA 10 4.681 -2.038 -0.288 109 H1 DG 10 H1 GUA 10 1.799 -4.756 4.768 110 H21 DG 10 H21 GUA 10 -0.380 -4.703 4.514 111 H22 DG 10 H22 GUA 10 -1.143 -4.000 3.105 112 H5' DC 11 H5' CYT 11 -1.206 -0.133 -0.888 113 H5'' DC 11 H5'' CYT 11 -2.152 1.295 -1.355 114 H4' DC 11 H4' CYT 11 -2.639 1.080 0.878 115 H3' DC 11 H3' CYT 11 -0.702 3.196 0.346 116 H2' DC 11 H2' CYT 11 0.504 2.979 2.287 117 H2'' DC 11 H2'' CYT 11 -0.991 3.157 3.198 118 H1' DC 11 H1' CYT 11 -1.301 0.832 3.415 119 H41 DC 11 H41 CYT 11 4.121 -1.307 5.857 120 H42 DC 11 H42 CYT 11 5.067 -0.587 4.574 121 H5 DC 11 H5 CYT 11 4.081 0.643 2.740 122 H6 DC 11 H6 CYT 11 1.991 1.445 1.771 123 H5' DG 12 H5' GUA 12 -3.744 5.562 3.156 124 H5'' DG 12 H5'' GUA 12 -2.396 5.770 4.294 125 H4' DG 12 H4' GUA 12 -5.119 4.613 4.900 126 H3' DG 12 H3' GUA 12 -4.574 7.283 4.769 127 H2' DG 12 H2' GUA 12 -2.919 7.358 6.527 128 H2'' DG 12 H2'' GUA 12 -4.382 7.624 7.466 129 H1' DG 12 H1' GUA 12 -4.530 5.260 8.068 130 H8 DG 12 H8 GUA 12 -1.117 6.824 7.302 131 H1 DG 12 H1 GUA 12 -1.212 2.706 12.231 132 H21 DG 12 H21 GUA 12 -3.165 1.717 12.354 133 H22 DG 12 H22 GUA 12 -4.463 2.058 11.232 134 H5' DG 13 H5' GUA 13 -8.346 5.567 6.288 135 H5'' DG 13 H5'' GUA 13 -9.878 6.422 6.010 136 H4' DG 13 H4' GUA 13 -10.158 5.247 8.014 137 H3' DG 13 H3' GUA 13 -10.481 7.947 8.093 138 H2' DG 13 H2' GUA 13 -8.393 8.521 9.121 139 H2'' DG 13 H2'' GUA 13 -9.379 8.264 10.555 140 H1' DG 13 H1' GUA 13 -8.601 5.992 10.836 141 H8 DG 13 H8 GUA 13 -6.235 8.240 8.758 142 H1 DG 13 H1 GUA 13 -3.522 5.014 13.605 143 H21 DG 13 H21 GUA 13 -5.005 3.712 14.568 144 H22 DG 13 H22 GUA 13 -6.667 3.625 14.028 145 H5' DG 14 H5' GUA 14 -12.544 4.279 9.500 146 H5'' DG 14 H5'' GUA 14 -14.318 4.203 9.456 147 H4' DG 14 H4' GUA 14 -13.687 2.884 11.276 148 H3' DG 14 H3' GUA 14 -15.303 5.024 11.788 149 H2' DG 14 H2' GUA 14 -13.798 6.475 12.862 150 H2'' DG 14 H2'' GUA 14 -14.176 5.462 14.249 151 H1' DG 14 H1' GUA 14 -12.163 4.229 14.061 152 H8 DG 14 H8 GUA 14 -12.081 7.422 11.878 153 H1 DG 14 H1 GUA 14 -7.005 6.486 15.702 154 H21 DG 14 H21 GUA 14 -7.176 4.549 16.722 155 H22 DG 14 H22 GUA 14 -8.535 3.475 16.475 156 H5' DT 15 H5' THY 15 -14.953 3.246 16.924 157 H5'' DT 15 H5'' THY 15 -14.180 3.364 15.328 158 H4' DT 15 H4' THY 15 -15.171 0.846 16.667 159 H3' DT 15 H3' THY 15 -12.540 2.129 16.707 160 H2' DT 15 H2' THY 15 -11.409 0.506 15.532 161 H2'' DT 15 H2'' THY 15 -12.165 -0.751 16.501 162 H1' DT 15 H1' THY 15 -13.795 -1.151 14.882 163 H3 DT 15 H3 THY 15 -11.538 1.829 11.159 164 H71 DT 15 H51 THY 15 -10.482 -2.615 10.354 165 H72 DT 15 H52 THY 15 -12.214 -3.010 10.241 166 H73 DT 15 H53 THY 15 -11.277 -3.506 11.671 167 H6 DT 15 H6 THY 15 -12.596 -2.305 13.292 168 H5' DC 16 H5' CYT 16 -13.172 -3.516 18.097 169 H5'' DC 16 H5'' CYT 16 -13.190 -3.134 19.832 170 H4' DC 16 H4' CYT 16 -11.384 -4.610 19.450 171 H3' DC 16 H3' CYT 16 -10.381 -1.774 19.858 172 H2' DC 16 H2' CYT 16 -8.163 -2.800 19.908 173 H2'' DC 16 H2'' CYT 16 -8.829 -4.424 20.005 174 H1' DC 16 H1' CYT 16 -8.661 -4.329 17.651 175 H41 DC 16 H41 CYT 16 -6.058 1.019 15.381 176 H42 DC 16 H42 CYT 16 -7.638 1.766 15.316 177 H5 DC 16 H5 CYT 16 -9.633 0.703 16.185 178 H6 DC 16 H6 CYT 16 -10.513 -1.286 17.291 179 H5' DC 17 H5' CYT 17 -7.377 -5.462 21.073 180 H5'' DC 17 H5'' CYT 17 -7.647 -5.911 22.770 181 H4' DC 17 H4' CYT 17 -5.372 -5.331 22.556 182 H3' DC 17 H3' CYT 17 -6.914 -4.017 24.402 183 H2' DC 17 H2' CYT 17 -7.078 -1.906 23.323 184 H2'' DC 17 H2'' CYT 17 -5.534 -1.677 24.133 185 H1' DC 17 H1' CYT 17 -4.270 -2.287 22.174 186 H41 DC 17 H41 CYT 17 -5.962 2.238 18.085 187 H42 DC 17 H42 CYT 17 -7.650 2.095 18.522 188 H5 DC 17 H5 CYT 17 -8.461 0.469 20.125 189 H6 DC 17 H6 CYT 17 -7.816 -1.339 21.631 190 H5' DC 18 H5' CYT 18 -2.359 -2.810 24.169 191 H5'' DC 18 H5'' CYT 18 -1.764 -2.981 25.833 192 H4' DC 18 H4' CYT 18 -0.570 -1.192 24.893 193 H3' DC 18 H3' CYT 18 -2.083 -0.698 27.137 194 H2' DC 18 H2' CYT 18 -3.799 0.598 26.064 195 H2'' DC 18 H2'' CYT 18 -2.633 1.869 26.407 196 H1' DC 18 H1' CYT 18 -1.619 1.674 24.177 197 H41 DC 18 H41 CYT 18 -6.383 3.756 20.579 198 H42 DC 18 H42 CYT 18 -7.553 2.791 21.450 199 H5 DC 18 H5 CYT 18 -6.946 1.303 23.261 200 H6 DC 18 H6 CYT 18 -5.096 0.441 24.597 201 H5' DG 19 H5' GUA 19 0.649 2.897 25.466 202 H5'' DG 19 H5'' GUA 19 1.583 3.303 26.921 203 H4' DG 19 H4' GUA 19 1.343 5.311 25.757 204 H3' DG 19 H3' GUA 19 0.288 5.195 28.287 205 HO3' DG 19 HO3' GUA 19 0.307 7.551 28.003 206 H2' DG 19 H2' GUA 19 -2.025 5.110 27.642 207 H2'' DG 19 H2'' GUA 19 -1.790 6.851 27.721 208 H1' DG 19 H1' GUA 19 -1.298 6.997 25.326 209 H8 DG 19 H8 GUA 19 -3.518 4.023 26.421 210 H1 DG 19 H1 GUA 19 -5.777 7.598 21.588 211 H21 DG 19 H21 GUA 19 -4.313 9.141 21.042 212 H22 DG 19 H22 GUA 19 -2.774 9.303 21.859 213 HD1 B2U 101 HD1 OTA 20 -4.992 -1.631 12.629 214 HE1 B2U 101 HE1 OTA 20 -5.658 -3.589 13.996 215 HZ B2U 101 HZ OTA 20 -8.013 -3.847 14.728 216 HE2 B2U 101 HE2 OTA 20 -9.705 -2.151 14.084 217 HD2 B2U 101 HD2 OTA 20 -9.039 -0.197 12.710 218 HB1 B2U 101 HB1 OTA 20 -5.731 0.796 12.361 219 HB2 B2U 101 HB2 OTA 20 -7.417 1.046 11.846 220 HAM B2U 101 HAM OTA 20 -6.251 0.815 9.801 221 H B2U 101 H OTA 20 -4.354 -0.701 11.298 222 HAB B2U 101 HAB OTA 20 -1.977 -0.899 10.604 223 HAH B2U 101 HAH OTA 20 1.011 1.391 7.535 224 HAG B2U 101 HAG OTA 20 0.413 2.588 8.708 225 HAI B2U 101 HAI OTA 20 -0.902 3.698 7.048 226 HA2 B2U 101 HA2 OTA 20 1.527 2.962 5.412 227 HA3 B2U 101 HA3 OTA 20 1.749 3.786 6.974 228 HA1 B2U 101 HA1 OTA 20 0.793 4.560 5.686 Start of MODEL 4 1 H5' DC 1 H5' CYT 1 -8.730 13.060 15.438 2 H5'' DC 1 H5'' CYT 1 -9.060 13.242 17.170 3 H4' DC 1 H4' CYT 1 -6.422 14.033 16.894 4 H3' DC 1 H3' CYT 1 -6.791 12.583 14.586 5 H2' DC 1 H2' CYT 1 -7.146 10.444 15.558 6 H2'' DC 1 H2'' CYT 1 -5.388 10.446 15.546 7 H1' DC 1 H1' CYT 1 -5.252 11.182 17.844 8 H41 DC 1 H41 CYT 1 -7.928 6.312 20.859 9 H42 DC 1 H42 CYT 1 -9.324 6.333 19.805 10 H5 DC 1 H5 CYT 1 -9.600 7.944 18.017 11 H6 DC 1 H6 CYT 1 -8.593 9.856 16.884 12 HO5' DC 1 HO5' CYT 1 -8.331 15.163 15.262 13 H5' DG 2 H5' GUA 2 -2.616 12.066 16.867 14 H5'' DG 2 H5'' GUA 2 -1.468 12.490 15.580 15 H4' DG 2 H4' GUA 2 -0.383 10.917 16.944 16 H3' DG 2 H3' GUA 2 -0.728 10.317 14.277 17 H2' DG 2 H2' GUA 2 -2.339 8.581 14.527 18 H2'' DG 2 H2'' GUA 2 -0.876 7.636 14.765 19 H1' DG 2 H1' GUA 2 -1.014 7.815 17.183 20 H8 DG 2 H8 GUA 2 -4.365 8.251 15.303 21 H1 DG 2 H1 GUA 2 -4.374 4.011 20.125 22 H21 DG 2 H21 GUA 2 -2.429 4.022 21.143 23 H22 DG 2 H22 GUA 2 -1.117 5.068 20.648 24 H5' DG 3 H5' GUA 3 1.993 7.808 16.966 25 H5'' DG 3 H5'' GUA 3 3.614 7.834 16.240 26 H4' DG 3 H4' GUA 3 3.590 5.879 17.476 27 H3' DG 3 H3' GUA 3 3.863 5.565 14.772 28 H2' DG 3 H2' GUA 3 1.684 4.717 14.291 29 H2'' DG 3 H2'' GUA 3 2.488 3.212 14.716 30 H1' DG 3 H1' GUA 3 1.674 3.283 16.993 31 H8 DG 3 H8 GUA 3 -0.382 5.304 14.424 32 H1 DG 3 H1 GUA 3 -3.748 1.414 18.267 33 H21 DG 3 H21 GUA 3 -2.423 0.490 19.753 34 H22 DG 3 H22 GUA 3 -0.706 0.820 19.813 35 H5' DG 4 H5' GUA 4 3.722 1.954 17.395 36 H5'' DG 4 H5'' GUA 4 5.214 1.001 17.253 37 H4' DG 4 H4' GUA 4 3.609 -0.576 17.770 38 H3' DG 4 H3' GUA 4 4.766 -0.854 15.292 39 H2' DG 4 H2' GUA 4 2.848 -0.055 14.045 40 H2'' DG 4 H2'' GUA 4 2.524 -1.783 14.097 41 H1' DG 4 H1' GUA 4 1.175 -1.548 16.162 42 H8 DG 4 H8 GUA 4 1.232 1.400 13.664 43 H1 DG 4 H1 GUA 4 -4.580 -0.562 15.562 44 H21 DG 4 H21 GUA 4 -4.387 -2.128 17.087 45 H22 DG 4 H22 GUA 4 -2.833 -2.704 17.648 46 H5' DG 5 H5' GUA 5 1.708 -4.103 15.952 47 H5'' DG 5 H5'' GUA 5 2.348 -5.711 15.553 48 H4' DG 5 H4' GUA 5 0.120 -5.426 14.666 49 H3' DG 5 H3' GUA 5 2.299 -5.625 12.568 50 H2' DG 5 H2' GUA 5 0.435 -5.742 10.953 51 H2'' DG 5 H2'' GUA 5 -0.762 -5.837 12.238 52 H1' DG 5 H1' GUA 5 -0.689 -3.464 11.930 53 H8 DG 5 H8 GUA 5 3.023 -3.282 12.618 54 H1 DG 5 H1 GUA 5 1.330 -1.342 6.736 55 H21 DG 5 H21 GUA 5 -0.776 -1.830 6.357 56 H22 DG 5 H22 GUA 5 -1.780 -2.635 7.543 57 H5' DC 6 H5' CYT 6 -2.408 -6.960 11.650 58 H5'' DC 6 H5'' CYT 6 -2.638 -8.688 11.992 59 H4' DC 6 H4' CYT 6 -3.244 -8.222 9.719 60 H3' DC 6 H3' CYT 6 -1.546 -10.275 10.354 61 H2' DC 6 H2' CYT 6 0.488 -9.233 9.624 62 H2'' DC 6 H2'' CYT 6 -0.024 -9.999 8.127 63 H1' DC 6 H1' CYT 6 -1.118 -7.967 7.334 64 H41 DC 6 H41 CYT 6 3.896 -4.197 6.534 65 H42 DC 6 H42 CYT 6 4.574 -4.656 8.080 66 H5 DC 6 H5 CYT 6 3.468 -6.183 9.601 67 H6 DC 6 H6 CYT 6 1.494 -7.575 9.943 68 H5' DG 7 H5' GUA 7 -2.143 -9.528 6.063 69 H5'' DG 7 H5'' GUA 7 -2.711 -10.932 5.136 70 H4' DG 7 H4' GUA 7 -1.213 -9.637 3.791 71 H3' DG 7 H3' GUA 7 -0.894 -12.332 4.064 72 H2' DG 7 H2' GUA 7 0.970 -12.266 5.596 73 H2'' DG 7 H2'' GUA 7 1.816 -12.278 4.055 74 H1' DG 7 H1' GUA 7 1.966 -9.836 4.001 75 H8 DG 7 H8 GUA 7 1.857 -11.605 7.421 76 H1 DG 7 H1 GUA 7 6.372 -7.087 6.766 77 H21 DG 7 H21 GUA 7 6.146 -6.068 4.835 78 H22 DG 7 H22 GUA 7 4.887 -6.489 3.695 79 H5' DA 8 H5' ADE 8 -0.328 -10.079 0.419 80 H5'' DA 8 H5'' ADE 8 -0.498 -10.800 -1.195 81 H4' DA 8 H4' ADE 8 1.048 -9.020 -1.366 82 H3' DA 8 H3' ADE 8 1.762 -11.498 -2.232 83 H2' DA 8 H2' ADE 8 3.239 -12.145 -0.488 84 H2'' DA 8 H2'' ADE 8 4.375 -11.243 -1.482 85 H1' DA 8 H1' ADE 8 4.189 -9.277 -0.152 86 H8 DA 8 H8 ADE 8 2.669 -12.254 1.839 87 H61 DA 8 H61 ADE 8 6.970 -10.902 6.085 88 H62 DA 8 H62 ADE 8 5.654 -11.977 5.667 89 H2 DA 8 H2 ADE 8 7.363 -7.964 2.720 90 H5' DA 9 H5' ADE 9 6.218 -8.394 -4.405 91 H5'' DA 9 H5'' ADE 9 6.539 -8.001 -2.703 92 H4' DA 9 H4' ADE 9 4.143 -7.424 -4.392 93 H3' DA 9 H3' ADE 9 6.142 -5.766 -3.525 94 H2' DA 9 H2' ADE 9 5.574 -5.830 -1.179 95 H2'' DA 9 H2'' ADE 9 4.602 -4.465 -1.713 96 H1' DA 9 H1' ADE 9 2.635 -5.889 -2.091 97 H8 DA 9 H8 ADE 9 5.154 -6.901 0.655 98 H61 DA 9 H61 ADE 9 0.177 -7.602 4.273 99 H62 DA 9 H62 ADE 9 1.925 -7.628 4.216 100 H2 DA 9 H2 ADE 9 -1.239 -6.640 0.128 101 H5' DG 10 H5' GUA 10 1.908 -4.338 -3.515 102 H5'' DG 10 H5'' GUA 10 1.755 -3.001 -4.675 103 H4' DG 10 H4' GUA 10 0.053 -2.687 -3.097 104 H3' DG 10 H3' GUA 10 1.888 -0.681 -3.416 105 H2' DG 10 H2' GUA 10 3.091 -0.959 -1.381 106 H2'' DG 10 H2'' GUA 10 1.790 0.072 -0.800 107 H1' DG 10 H1' GUA 10 0.502 -1.801 0.013 108 H8 DG 10 H8 GUA 10 4.310 -2.147 -0.243 109 H1 DG 10 H1 GUA 10 1.671 -4.671 5.039 110 H21 DG 10 H21 GUA 10 -0.518 -4.604 4.894 111 H22 DG 10 H22 GUA 10 -1.346 -3.940 3.504 112 H5' DC 11 H5' CYT 11 -1.682 -0.100 -0.610 113 H5'' DC 11 H5'' CYT 11 -2.561 1.364 -1.100 114 H4' DC 11 H4' CYT 11 -2.972 1.242 1.162 115 H3' DC 11 H3' CYT 11 -0.986 3.246 0.454 116 H2' DC 11 H2' CYT 11 0.307 3.056 2.346 117 H2'' DC 11 H2'' CYT 11 -1.131 3.344 3.315 118 H1' DC 11 H1' CYT 11 -1.515 1.035 3.661 119 H41 DC 11 H41 CYT 11 3.954 -1.274 5.831 120 H42 DC 11 H42 CYT 11 4.846 -0.653 4.461 121 H5 DC 11 H5 CYT 11 3.796 0.572 2.653 122 H6 DC 11 H6 CYT 11 1.684 1.443 1.798 123 H5' DG 12 H5' GUA 12 -3.800 5.853 3.332 124 H5'' DG 12 H5'' GUA 12 -2.372 6.056 4.368 125 H4' DG 12 H4' GUA 12 -5.094 5.039 5.180 126 H3' DG 12 H3' GUA 12 -4.422 7.669 4.970 127 H2' DG 12 H2' GUA 12 -2.655 7.703 6.581 128 H2'' DG 12 H2'' GUA 12 -4.027 8.040 7.628 129 H1' DG 12 H1' GUA 12 -4.235 5.721 8.299 130 H8 DG 12 H8 GUA 12 -0.838 7.123 7.256 131 H1 DG 12 H1 GUA 12 -0.683 2.973 12.154 132 H21 DG 12 H21 GUA 12 -2.660 2.063 12.434 133 H22 DG 12 H22 GUA 12 -4.030 2.466 11.424 134 H5' DG 13 H5' GUA 13 -8.248 6.060 6.338 135 H5'' DG 13 H5'' GUA 13 -9.749 6.975 6.084 136 H4' DG 13 H4' GUA 13 -10.080 5.700 8.023 137 H3' DG 13 H3' GUA 13 -10.367 8.398 8.213 138 H2' DG 13 H2' GUA 13 -8.300 8.904 9.306 139 H2'' DG 13 H2'' GUA 13 -9.312 8.589 10.709 140 H1' DG 13 H1' GUA 13 -8.551 6.310 10.903 141 H8 DG 13 H8 GUA 13 -6.157 8.636 8.950 142 H1 DG 13 H1 GUA 13 -3.502 5.192 13.675 143 H21 DG 13 H21 GUA 13 -4.992 3.841 14.553 144 H22 DG 13 H22 GUA 13 -6.646 3.775 13.988 145 H5' DG 14 H5' GUA 14 -12.377 4.676 9.177 146 H5'' DG 14 H5'' GUA 14 -14.143 4.529 9.068 147 H4' DG 14 H4' GUA 14 -13.480 3.032 10.738 148 H3' DG 14 H3' GUA 14 -15.249 4.986 11.423 149 H2' DG 14 H2' GUA 14 -13.909 6.407 12.721 150 H2'' DG 14 H2'' GUA 14 -14.233 5.207 13.965 151 H1' DG 14 H1' GUA 14 -12.114 4.201 13.730 152 H8 DG 14 H8 GUA 14 -12.273 7.566 11.834 153 H1 DG 14 H1 GUA 14 -7.136 6.694 15.586 154 H21 DG 14 H21 GUA 14 -7.165 4.676 16.447 155 H22 DG 14 H22 GUA 14 -8.442 3.530 16.109 156 H5' DT 15 H5' THY 15 -14.904 2.757 16.356 157 H5'' DT 15 H5'' THY 15 -14.105 3.080 14.803 158 H4' DT 15 H4' THY 15 -14.945 0.366 15.823 159 H3' DT 15 H3' THY 15 -12.450 1.844 16.242 160 H2' DT 15 H2' THY 15 -11.090 0.446 15.022 161 H2'' DT 15 H2'' THY 15 -11.816 -0.961 15.787 162 H1' DT 15 H1' THY 15 -13.276 -1.305 14.000 163 H3 DT 15 H3 THY 15 -10.353 2.058 11.129 164 H71 DT 15 H51 THY 15 -10.211 -2.240 9.301 165 H72 DT 15 H52 THY 15 -11.926 -2.019 8.876 166 H73 DT 15 H53 THY 15 -11.468 -3.125 10.193 167 H6 DT 15 H6 THY 15 -12.496 -2.101 12.061 168 H5' DC 16 H5' CYT 16 -12.749 -3.974 17.086 169 H5'' DC 16 H5'' CYT 16 -12.900 -3.708 18.836 170 H4' DC 16 H4' CYT 16 -10.973 -5.027 18.485 171 H3' DC 16 H3' CYT 16 -10.196 -2.160 19.118 172 H2' DC 16 H2' CYT 16 -7.925 -3.039 19.255 173 H2'' DC 16 H2'' CYT 16 -8.483 -4.706 19.231 174 H1' DC 16 H1' CYT 16 -8.187 -4.495 16.904 175 H41 DC 16 H41 CYT 16 -5.712 1.063 15.047 176 H42 DC 16 H42 CYT 16 -7.320 1.737 14.901 177 H5 DC 16 H5 CYT 16 -9.313 0.543 15.587 178 H6 DC 16 H6 CYT 16 -10.162 -1.532 16.551 179 H5' DC 17 H5' CYT 17 -7.025 -5.716 20.327 180 H5'' DC 17 H5'' CYT 17 -7.396 -6.297 21.964 181 H4' DC 17 H4' CYT 17 -5.158 -5.573 21.991 182 H3' DC 17 H3' CYT 17 -6.928 -4.443 23.751 183 H2' DC 17 H2' CYT 17 -7.106 -2.284 22.776 184 H2'' DC 17 H2'' CYT 17 -5.648 -2.029 23.725 185 H1' DC 17 H1' CYT 17 -4.200 -2.462 21.846 186 H41 DC 17 H41 CYT 17 -5.798 2.162 17.837 187 H42 DC 17 H42 CYT 17 -7.505 1.912 18.124 188 H5 DC 17 H5 CYT 17 -8.354 0.175 19.584 189 H6 DC 17 H6 CYT 17 -7.736 -1.669 21.057 190 H5' DC 18 H5' CYT 18 -2.664 -3.126 23.714 191 H5'' DC 18 H5'' CYT 18 -1.889 -3.410 25.287 192 H4' DC 18 H4' CYT 18 -0.752 -1.588 24.463 193 H3' DC 18 H3' CYT 18 -2.251 -1.091 26.726 194 H2' DC 18 H2' CYT 18 -3.958 0.220 25.670 195 H2'' DC 18 H2'' CYT 18 -2.780 1.479 26.014 196 H1' DC 18 H1' CYT 18 -1.777 1.297 23.799 197 H41 DC 18 H41 CYT 18 -6.549 3.543 20.307 198 H42 DC 18 H42 CYT 18 -7.721 2.546 21.141 199 H5 DC 18 H5 CYT 18 -7.112 0.979 22.885 200 H6 DC 18 H6 CYT 18 -5.260 0.057 24.179 201 H5' DG 19 H5' GUA 19 0.488 2.512 25.102 202 H5'' DG 19 H5'' GUA 19 1.423 2.894 26.563 203 H4' DG 19 H4' GUA 19 1.184 4.921 25.432 204 H3' DG 19 H3' GUA 19 0.133 4.763 27.961 205 HO3' DG 19 HO3' GUA 19 -0.038 7.232 27.379 206 H2' DG 19 H2' GUA 19 -2.178 4.688 27.315 207 H2'' DG 19 H2'' GUA 19 -1.944 6.427 27.430 208 H1' DG 19 H1' GUA 19 -1.447 6.621 25.040 209 H8 DG 19 H8 GUA 19 -3.693 3.655 26.097 210 H1 DG 19 H1 GUA 19 -5.933 7.319 21.323 211 H21 DG 19 H21 GUA 19 -4.450 8.846 20.784 212 H22 DG 19 H22 GUA 19 -2.903 8.976 21.591 213 HD1 B2U 101 HD1 OTA 20 -5.574 -4.672 13.629 214 HE1 B2U 101 HE1 OTA 20 -7.764 -5.587 14.346 215 HZ B2U 101 HZ OTA 20 -9.828 -4.246 14.044 216 HE2 B2U 101 HE2 OTA 20 -9.701 -1.989 13.023 217 HD2 B2U 101 HD2 OTA 20 -7.511 -1.073 12.306 218 HB1 B2U 101 HB1 OTA 20 -5.174 -1.223 12.677 219 HB2 B2U 101 HB2 OTA 20 -4.388 -2.758 13.117 220 HAM B2U 101 HAM OTA 20 -5.880 -2.441 10.492 221 H B2U 101 H OTA 20 -2.959 -2.073 10.482 222 HAB B2U 101 HAB OTA 20 -1.792 -0.364 11.224 223 HAH B2U 101 HAH OTA 20 1.041 1.484 7.740 224 HAG B2U 101 HAG OTA 20 0.638 2.798 8.870 225 HAI B2U 101 HAI OTA 20 -0.749 3.887 7.256 226 HA2 B2U 101 HA2 OTA 20 1.867 3.818 6.944 227 HA3 B2U 101 HA3 OTA 20 0.854 4.502 5.650 228 HA1 B2U 101 HA1 OTA 20 1.486 2.845 5.502 Start of MODEL 5 1 H5' DC 1 H5' CYT 1 -8.669 14.048 16.802 2 H5'' DC 1 H5'' CYT 1 -8.533 13.408 15.155 3 H4' DC 1 H4' CYT 1 -6.396 13.868 16.471 4 H3' DC 1 H3' CYT 1 -6.831 12.111 14.423 5 H2' DC 1 H2' CYT 1 -7.004 10.092 15.638 6 H2'' DC 1 H2'' CYT 1 -5.251 10.178 15.537 7 H1' DC 1 H1' CYT 1 -5.034 11.059 17.742 8 H41 DC 1 H41 CYT 1 -7.763 6.601 21.298 9 H42 DC 1 H42 CYT 1 -9.229 6.633 20.345 10 H5 DC 1 H5 CYT 1 -9.537 8.119 18.456 11 H6 DC 1 H6 CYT 1 -8.503 9.868 17.106 12 HO5' DC 1 HO5' CYT 1 -9.656 11.775 15.791 13 H5' DG 2 H5' GUA 2 -2.523 11.927 16.408 14 H5'' DG 2 H5'' GUA 2 -1.468 12.271 15.021 15 H4' DG 2 H4' GUA 2 -0.266 10.837 16.444 16 H3' DG 2 H3' GUA 2 -0.701 10.051 13.854 17 H2' DG 2 H2' GUA 2 -2.294 8.329 14.264 18 H2'' DG 2 H2'' GUA 2 -0.819 7.403 14.503 19 H1' DG 2 H1' GUA 2 -0.887 7.685 16.905 20 H8 DG 2 H8 GUA 2 -4.276 8.083 15.094 21 H1 DG 2 H1 GUA 2 -4.263 4.181 20.193 22 H21 DG 2 H21 GUA 2 -2.297 4.218 21.167 23 H22 DG 2 H22 GUA 2 -0.974 5.198 20.573 24 H5' DG 3 H5' GUA 3 2.018 7.642 16.652 25 H5'' DG 3 H5'' GUA 3 3.608 7.507 15.873 26 H4' DG 3 H4' GUA 3 3.486 5.655 17.267 27 H3' DG 3 H3' GUA 3 3.699 5.139 14.586 28 H2' DG 3 H2' GUA 3 1.468 4.382 14.196 29 H2'' DG 3 H2'' GUA 3 2.200 2.868 14.711 30 H1' DG 3 H1' GUA 3 1.453 3.145 16.996 31 H8 DG 3 H8 GUA 3 -0.587 5.090 14.351 32 H1 DG 3 H1 GUA 3 -3.996 1.528 18.464 33 H21 DG 3 H21 GUA 3 -2.669 0.631 19.965 34 H22 DG 3 H22 GUA 3 -0.940 0.900 19.969 35 H5' DG 4 H5' GUA 4 3.588 1.424 17.501 36 H5'' DG 4 H5'' GUA 4 5.010 0.456 17.059 37 H4' DG 4 H4' GUA 4 3.353 -1.066 17.731 38 H3' DG 4 H3' GUA 4 4.394 -1.313 15.198 39 H2' DG 4 H2' GUA 4 2.456 -0.448 14.042 40 H2'' DG 4 H2'' GUA 4 2.074 -2.165 14.091 41 H1' DG 4 H1' GUA 4 0.801 -1.911 16.191 42 H8 DG 4 H8 GUA 4 0.900 0.991 13.659 43 H1 DG 4 H1 GUA 4 -4.896 -0.456 16.016 44 H21 DG 4 H21 GUA 4 -4.714 -1.991 17.576 45 H22 DG 4 H22 GUA 4 -3.171 -2.667 18.050 46 H5' DG 5 H5' GUA 5 1.353 -4.556 15.727 47 H5'' DG 5 H5'' GUA 5 2.015 -6.149 15.307 48 H4' DG 5 H4' GUA 5 -0.170 -5.856 14.335 49 H3' DG 5 H3' GUA 5 2.094 -5.954 12.319 50 H2' DG 5 H2' GUA 5 0.298 -6.030 10.626 51 H2'' DG 5 H2'' GUA 5 -0.949 -6.178 11.856 52 H1' DG 5 H1' GUA 5 -0.880 -3.797 11.628 53 H8 DG 5 H8 GUA 5 2.778 -3.581 12.529 54 H1 DG 5 H1 GUA 5 1.402 -1.529 6.602 55 H21 DG 5 H21 GUA 5 -0.667 -2.051 6.084 56 H22 DG 5 H22 GUA 5 -1.723 -2.905 7.187 57 H5' DC 6 H5' CYT 6 -2.553 -7.294 11.148 58 H5'' DC 6 H5'' CYT 6 -2.778 -9.037 11.410 59 H4' DC 6 H4' CYT 6 -3.285 -8.478 9.131 60 H3' DC 6 H3' CYT 6 -1.613 -10.551 9.764 61 H2' DC 6 H2' CYT 6 0.452 -9.478 9.177 62 H2'' DC 6 H2'' CYT 6 0.016 -10.184 7.626 63 H1' DC 6 H1' CYT 6 -1.042 -8.123 6.863 64 H41 DC 6 H41 CYT 6 3.994 -4.316 6.479 65 H42 DC 6 H42 CYT 6 4.591 -4.834 8.039 66 H5 DC 6 H5 CYT 6 3.411 -6.421 9.439 67 H6 DC 6 H6 CYT 6 1.427 -7.829 9.621 68 H5' DG 7 H5' GUA 7 -1.997 -9.637 5.474 69 H5'' DG 7 H5'' GUA 7 -2.496 -11.010 4.464 70 H4' DG 7 H4' GUA 7 -0.935 -9.651 3.259 71 H3' DG 7 H3' GUA 7 -0.610 -12.354 3.446 72 H2' DG 7 H2' GUA 7 1.164 -12.336 5.084 73 H2'' DG 7 H2'' GUA 7 2.096 -12.282 3.594 74 H1' DG 7 H1' GUA 7 2.227 -9.839 3.643 75 H8 DG 7 H8 GUA 7 1.942 -11.741 6.981 76 H1 DG 7 H1 GUA 7 6.447 -7.171 6.756 77 H21 DG 7 H21 GUA 7 6.321 -6.081 4.853 78 H22 DG 7 H22 GUA 7 5.132 -6.466 3.630 79 H5' DA 8 H5' ADE 8 0.147 -9.957 -0.071 80 H5'' DA 8 H5'' ADE 8 0.073 -10.618 -1.718 81 H4' DA 8 H4' ADE 8 1.613 -8.824 -1.736 82 H3' DA 8 H3' ADE 8 2.394 -11.265 -2.645 83 H2' DA 8 H2' ADE 8 3.776 -11.963 -0.844 84 H2'' DA 8 H2'' ADE 8 4.959 -11.019 -1.739 85 H1' DA 8 H1' ADE 8 4.678 -9.102 -0.352 86 H8 DA 8 H8 ADE 8 3.080 -12.161 1.440 87 H61 DA 8 H61 ADE 8 7.106 -10.923 5.978 88 H62 DA 8 H62 ADE 8 5.830 -11.995 5.444 89 H2 DA 8 H2 ADE 8 7.663 -7.861 2.750 90 H5' DA 9 H5' ADE 9 6.937 -8.046 -4.450 91 H5'' DA 9 H5'' ADE 9 7.156 -7.711 -2.719 92 H4' DA 9 H4' ADE 9 4.853 -7.096 -4.520 93 H3' DA 9 H3' ADE 9 6.782 -5.454 -3.482 94 H2' DA 9 H2' ADE 9 6.080 -5.605 -1.176 95 H2'' DA 9 H2'' ADE 9 5.126 -4.231 -1.718 96 H1' DA 9 H1' ADE 9 3.198 -5.658 -2.256 97 H8 DA 9 H8 ADE 9 5.570 -6.743 0.591 98 H61 DA 9 H61 ADE 9 0.408 -7.635 3.894 99 H62 DA 9 H62 ADE 9 2.157 -7.639 3.935 100 H2 DA 9 H2 ADE 9 -0.786 -6.535 -0.287 101 H5' DG 10 H5' GUA 10 2.540 -4.070 -3.682 102 H5'' DG 10 H5'' GUA 10 2.432 -2.682 -4.787 103 H4' DG 10 H4' GUA 10 0.639 -2.471 -3.290 104 H3' DG 10 H3' GUA 10 2.448 -0.420 -3.433 105 H2' DG 10 H2' GUA 10 3.549 -0.762 -1.349 106 H2'' DG 10 H2'' GUA 10 2.203 0.225 -0.797 107 H1' DG 10 H1' GUA 10 0.904 -1.701 -0.134 108 H8 DG 10 H8 GUA 10 4.728 -1.981 -0.191 109 H1 DG 10 H1 GUA 10 1.846 -4.732 4.845 110 H21 DG 10 H21 GUA 10 -0.335 -4.686 4.583 111 H22 DG 10 H22 GUA 10 -1.095 -3.982 3.174 112 H5' DC 11 H5' CYT 11 -1.280 -0.033 -0.814 113 H5'' DC 11 H5'' CYT 11 -2.165 1.441 -1.266 114 H4' DC 11 H4' CYT 11 -2.681 1.162 0.967 115 H3' DC 11 H3' CYT 11 -0.741 3.272 0.463 116 H2' DC 11 H2' CYT 11 0.455 3.037 2.413 117 H2'' DC 11 H2'' CYT 11 -1.043 3.212 3.315 118 H1' DC 11 H1' CYT 11 -1.344 0.874 3.514 119 H41 DC 11 H41 CYT 11 4.103 -1.310 5.864 120 H42 DC 11 H42 CYT 11 5.036 -0.590 4.571 121 H5 DC 11 H5 CYT 11 4.028 0.676 2.768 122 H6 DC 11 H6 CYT 11 1.926 1.501 1.844 123 H5' DG 12 H5' GUA 12 -3.778 5.635 3.235 124 H5'' DG 12 H5'' GUA 12 -2.439 5.840 4.384 125 H4' DG 12 H4' GUA 12 -5.192 4.746 4.960 126 H3' DG 12 H3' GUA 12 -4.574 7.396 4.851 127 H2' DG 12 H2' GUA 12 -2.939 7.440 6.597 128 H2'' DG 12 H2'' GUA 12 -4.398 7.723 7.537 129 H1' DG 12 H1' GUA 12 -4.601 5.387 8.147 130 H8 DG 12 H8 GUA 12 -1.161 6.877 7.395 131 H1 DG 12 H1 GUA 12 -1.309 2.668 12.243 132 H21 DG 12 H21 GUA 12 -3.285 1.718 12.357 133 H22 DG 12 H22 GUA 12 -4.578 2.108 11.246 134 H5' DG 13 H5' GUA 13 -8.406 5.773 6.293 135 H5'' DG 13 H5'' GUA 13 -9.914 6.672 6.021 136 H4' DG 13 H4' GUA 13 -10.229 5.472 8.005 137 H3' DG 13 H3' GUA 13 -10.504 8.173 8.114 138 H2' DG 13 H2' GUA 13 -8.404 8.694 9.147 139 H2'' DG 13 H2'' GUA 13 -9.400 8.456 10.576 140 H1' DG 13 H1' GUA 13 -8.680 6.166 10.846 141 H8 DG 13 H8 GUA 13 -6.259 8.387 8.804 142 H1 DG 13 H1 GUA 13 -3.643 5.093 13.656 143 H21 DG 13 H21 GUA 13 -5.150 3.796 14.586 144 H22 DG 13 H22 GUA 13 -6.805 3.729 14.025 145 H5' DG 14 H5' GUA 14 -12.612 4.534 9.362 146 H5'' DG 14 H5'' GUA 14 -14.386 4.471 9.307 147 H4' DG 14 H4' GUA 14 -13.767 3.055 11.056 148 H3' DG 14 H3' GUA 14 -15.378 5.167 11.666 149 H2' DG 14 H2' GUA 14 -13.896 6.559 12.838 150 H2'' DG 14 H2'' GUA 14 -14.269 5.463 14.161 151 H1' DG 14 H1' GUA 14 -12.243 4.274 13.920 152 H8 DG 14 H8 GUA 14 -12.170 7.535 11.837 153 H1 DG 14 H1 GUA 14 -7.093 6.495 15.627 154 H21 DG 14 H21 GUA 14 -7.274 4.540 16.609 155 H22 DG 14 H22 GUA 14 -8.639 3.480 16.342 156 H5' DT 15 H5' THY 15 -14.852 3.346 16.686 157 H5'' DT 15 H5'' THY 15 -14.171 3.443 15.048 158 H4' DT 15 H4' THY 15 -15.122 0.917 16.400 159 H3' DT 15 H3' THY 15 -12.504 2.229 16.513 160 H2' DT 15 H2' THY 15 -11.339 0.602 15.365 161 H2'' DT 15 H2'' THY 15 -12.114 -0.655 16.318 162 H1' DT 15 H1' THY 15 -13.725 -1.046 14.665 163 H3 DT 15 H3 THY 15 -10.797 1.762 11.257 164 H71 DT 15 H51 THY 15 -11.338 -2.432 9.539 165 H72 DT 15 H52 THY 15 -13.029 -2.711 10.020 166 H73 DT 15 H53 THY 15 -11.701 -3.408 10.980 167 H6 DT 15 H6 THY 15 -13.106 -2.116 12.801 168 H5' DC 16 H5' CYT 16 -13.127 -3.412 17.849 169 H5'' DC 16 H5'' CYT 16 -13.214 -3.058 19.588 170 H4' DC 16 H4' CYT 16 -11.383 -4.514 19.252 171 H3' DC 16 H3' CYT 16 -10.410 -1.680 19.730 172 H2' DC 16 H2' CYT 16 -8.190 -2.706 19.853 173 H2'' DC 16 H2'' CYT 16 -8.859 -4.332 19.892 174 H1' DC 16 H1' CYT 16 -8.594 -4.177 17.545 175 H41 DC 16 H41 CYT 16 -5.991 1.254 15.496 176 H42 DC 16 H42 CYT 16 -7.582 1.969 15.359 177 H5 DC 16 H5 CYT 16 -9.595 0.852 16.117 178 H6 DC 16 H6 CYT 16 -10.482 -1.171 17.153 179 H5' DC 17 H5' CYT 17 -7.425 -5.347 20.994 180 H5'' DC 17 H5'' CYT 17 -7.754 -5.825 22.672 181 H4' DC 17 H4' CYT 17 -5.471 -5.224 22.544 182 H3' DC 17 H3' CYT 17 -7.088 -3.950 24.351 183 H2' DC 17 H2' CYT 17 -7.209 -1.806 23.291 184 H2'' DC 17 H2'' CYT 17 -5.696 -1.589 24.161 185 H1' DC 17 H1' CYT 17 -4.377 -2.166 22.208 186 H41 DC 17 H41 CYT 17 -5.984 2.354 18.092 187 H42 DC 17 H42 CYT 17 -7.682 2.202 18.482 188 H5 DC 17 H5 CYT 17 -8.529 0.573 20.065 189 H6 DC 17 H6 CYT 17 -7.915 -1.235 21.586 190 H5' DC 18 H5' CYT 18 -2.766 -2.868 24.019 191 H5'' DC 18 H5'' CYT 18 -1.923 -3.152 25.556 192 H4' DC 18 H4' CYT 18 -0.732 -1.417 24.614 193 H3' DC 18 H3' CYT 18 -2.088 -0.785 26.926 194 H2' DC 18 H2' CYT 18 -3.775 0.589 25.909 195 H2'' DC 18 H2'' CYT 18 -2.520 1.792 26.173 196 H1' DC 18 H1' CYT 18 -1.623 1.490 23.904 197 H41 DC 18 H41 CYT 18 -6.400 3.883 20.519 198 H42 DC 18 H42 CYT 18 -7.592 3.008 21.454 199 H5 DC 18 H5 CYT 18 -7.002 1.486 23.244 200 H6 DC 18 H6 CYT 18 -5.155 0.507 24.501 201 H5' DG 19 H5' GUA 19 0.745 2.619 25.071 202 H5'' DG 19 H5'' GUA 19 1.782 2.985 26.465 203 H4' DG 19 H4' GUA 19 1.591 4.989 25.291 204 H3' DG 19 H3' GUA 19 0.696 4.968 27.889 205 HO3' DG 19 HO3' GUA 19 1.746 6.744 27.685 206 H2' DG 19 H2' GUA 19 -1.651 5.002 27.399 207 H2'' DG 19 H2'' GUA 19 -1.318 6.728 27.433 208 H1' DG 19 H1' GUA 19 -0.993 6.823 25.024 209 H8 DG 19 H8 GUA 19 -3.295 4.044 26.391 210 H1 DG 19 H1 GUA 19 -5.677 7.505 21.535 211 H21 DG 19 H21 GUA 19 -4.162 8.906 20.791 212 H22 DG 19 H22 GUA 19 -2.556 9.004 21.480 213 HD1 B2U 101 HD1 OTA 20 -5.510 -3.624 14.402 214 HE1 B2U 101 HE1 OTA 20 -7.421 -4.877 15.365 215 HZ B2U 101 HZ OTA 20 -9.743 -4.119 14.937 216 HE2 B2U 101 HE2 OTA 20 -10.154 -2.106 13.548 217 HD2 B2U 101 HD2 OTA 20 -8.243 -0.852 12.585 218 HB1 B2U 101 HB1 OTA 20 -5.760 -0.418 13.153 219 HB2 B2U 101 HB2 OTA 20 -4.756 -1.884 13.260 220 HAM B2U 101 HAM OTA 20 -6.609 -1.097 10.968 221 H B2U 101 H OTA 20 -3.821 -0.628 11.396 222 HAB B2U 101 HAB OTA 20 -2.036 -0.906 10.770 223 HAH B2U 101 HAH OTA 20 1.015 1.330 7.710 224 HAG B2U 101 HAG OTA 20 0.480 2.518 8.921 225 HAI B2U 101 HAI OTA 20 -0.847 3.695 7.301 226 HA2 B2U 101 HA2 OTA 20 1.003 4.694 6.473 227 HA3 B2U 101 HA3 OTA 20 1.287 3.324 5.372 228 HA1 B2U 101 HA1 OTA 20 1.960 3.297 7.021 Start of MODEL 6 1 H5' DC 1 H5' CYT 1 -8.317 14.569 16.288 2 H5'' DC 1 H5'' CYT 1 -8.409 13.287 15.069 3 H4' DC 1 H4' CYT 1 -6.183 14.060 16.469 4 H3' DC 1 H3' CYT 1 -6.638 12.366 14.357 5 H2' DC 1 H2' CYT 1 -6.958 10.339 15.532 6 H2'' DC 1 H2'' CYT 1 -5.200 10.333 15.486 7 H1' DC 1 H1' CYT 1 -5.003 11.194 17.695 8 H41 DC 1 H41 CYT 1 -7.929 6.743 21.105 9 H42 DC 1 H42 CYT 1 -9.361 6.812 20.103 10 H5 DC 1 H5 CYT 1 -9.584 8.335 18.230 11 H6 DC 1 H6 CYT 1 -8.476 10.084 16.941 12 HO5' DC 1 HO5' CYT 1 -8.911 11.838 16.818 13 H5' DG 2 H5' GUA 2 -2.386 11.939 16.463 14 H5'' DG 2 H5'' GUA 2 -1.294 12.252 15.097 15 H4' DG 2 H4' GUA 2 -0.177 10.746 16.513 16 H3' DG 2 H3' GUA 2 -0.637 9.996 13.909 17 H2' DG 2 H2' GUA 2 -2.290 8.328 14.316 18 H2'' DG 2 H2'' GUA 2 -0.846 7.353 14.553 19 H1' DG 2 H1' GUA 2 -0.894 7.655 16.957 20 H8 DG 2 H8 GUA 2 -4.279 8.109 15.153 21 H1 DG 2 H1 GUA 2 -4.320 4.220 20.262 22 H21 DG 2 H21 GUA 2 -2.348 4.223 21.227 23 H22 DG 2 H22 GUA 2 -1.011 5.176 20.625 24 H5' DG 3 H5' GUA 3 2.056 7.593 16.644 25 H5'' DG 3 H5'' GUA 3 3.668 7.461 15.907 26 H4' DG 3 H4' GUA 3 3.533 5.611 17.290 27 H3' DG 3 H3' GUA 3 3.768 5.083 14.612 28 H2' DG 3 H2' GUA 3 1.542 4.337 14.201 29 H2'' DG 3 H2'' GUA 3 2.258 2.821 14.729 30 H1' DG 3 H1' GUA 3 1.491 3.103 17.000 31 H8 DG 3 H8 GUA 3 -0.526 5.072 14.348 32 H1 DG 3 H1 GUA 3 -3.961 1.476 18.412 33 H21 DG 3 H21 GUA 3 -2.639 0.566 19.912 34 H22 DG 3 H22 GUA 3 -0.912 0.839 19.927 35 H5' DG 4 H5' GUA 4 3.621 1.354 17.527 36 H5'' DG 4 H5'' GUA 4 5.054 0.399 17.092 37 H4' DG 4 H4' GUA 4 3.407 -1.140 17.741 38 H3' DG 4 H3' GUA 4 4.461 -1.364 15.214 39 H2' DG 4 H2' GUA 4 2.526 -0.509 14.051 40 H2'' DG 4 H2'' GUA 4 2.153 -2.226 14.091 41 H1' DG 4 H1' GUA 4 0.860 -1.989 16.177 42 H8 DG 4 H8 GUA 4 0.982 0.937 13.674 43 H1 DG 4 H1 GUA 4 -4.838 -0.533 15.953 44 H21 DG 4 H21 GUA 4 -4.675 -2.084 17.496 45 H22 DG 4 H22 GUA 4 -3.140 -2.770 17.978 46 H5' DG 5 H5' GUA 5 1.423 -4.626 15.737 47 H5'' DG 5 H5'' GUA 5 2.091 -6.215 15.307 48 H4' DG 5 H4' GUA 5 -0.107 -5.922 14.350 49 H3' DG 5 H3' GUA 5 2.145 -6.014 12.325 50 H2' DG 5 H2' GUA 5 0.340 -6.090 10.641 51 H2'' DG 5 H2'' GUA 5 -0.899 -6.244 11.878 52 H1' DG 5 H1' GUA 5 -0.835 -3.858 11.657 53 H8 DG 5 H8 GUA 5 2.833 -3.646 12.520 54 H1 DG 5 H1 GUA 5 1.397 -1.571 6.615 55 H21 DG 5 H21 GUA 5 -0.679 -2.082 6.120 56 H22 DG 5 H22 GUA 5 -1.726 -2.937 7.231 57 H5' DC 6 H5' CYT 6 -2.508 -7.365 11.187 58 H5'' DC 6 H5'' CYT 6 -2.725 -9.109 11.442 59 H4' DC 6 H4' CYT 6 -3.254 -8.544 9.170 60 H3' DC 6 H3' CYT 6 -1.557 -10.607 9.778 61 H2' DC 6 H2' CYT 6 0.489 -9.512 9.171 62 H2'' DC 6 H2'' CYT 6 0.042 -10.215 7.623 63 H1' DC 6 H1' CYT 6 -1.052 -8.163 6.882 64 H41 DC 6 H41 CYT 6 3.947 -4.323 6.407 65 H42 DC 6 H42 CYT 6 4.578 -4.838 7.955 66 H5 DC 6 H5 CYT 6 3.440 -6.441 9.372 67 H6 DC 6 H6 CYT 6 1.466 -7.857 9.593 68 H5' DG 7 H5' GUA 7 -1.996 -9.678 5.487 69 H5'' DG 7 H5'' GUA 7 -2.490 -11.055 4.481 70 H4' DG 7 H4' GUA 7 -0.952 -9.679 3.265 71 H3' DG 7 H3' GUA 7 -0.599 -12.379 3.442 72 H2' DG 7 H2' GUA 7 1.186 -12.346 5.066 73 H2'' DG 7 H2'' GUA 7 2.106 -12.283 3.569 74 H1' DG 7 H1' GUA 7 2.212 -9.838 3.617 75 H8 DG 7 H8 GUA 7 1.975 -11.744 6.957 76 H1 DG 7 H1 GUA 7 6.452 -7.149 6.687 77 H21 DG 7 H21 GUA 7 6.297 -6.055 4.791 78 H22 DG 7 H22 GUA 7 5.096 -6.442 3.580 79 H5' DA 8 H5' ADE 8 0.114 -9.967 -0.080 80 H5'' DA 8 H5'' ADE 8 0.025 -10.630 -1.725 81 H4' DA 8 H4' ADE 8 1.547 -8.823 -1.766 82 H3' DA 8 H3' ADE 8 2.345 -11.255 -2.679 83 H2' DA 8 H2' ADE 8 3.763 -11.934 -0.891 84 H2'' DA 8 H2'' ADE 8 4.921 -10.974 -1.799 85 H1' DA 8 H1' ADE 8 4.632 -9.065 -0.396 86 H8 DA 8 H8 ADE 8 3.067 -12.139 1.404 87 H61 DA 8 H61 ADE 8 7.107 -10.852 5.920 88 H62 DA 8 H62 ADE 8 5.840 -11.938 5.394 89 H2 DA 8 H2 ADE 8 7.620 -7.795 2.679 90 H5' DA 9 H5' ADE 9 6.818 -7.969 -4.541 91 H5'' DA 9 H5'' ADE 9 7.057 -7.643 -2.811 92 H4' DA 9 H4' ADE 9 4.715 -7.061 -4.573 93 H3' DA 9 H3' ADE 9 6.636 -5.374 -3.567 94 H2' DA 9 H2' ADE 9 5.982 -5.532 -1.256 95 H2'' DA 9 H2'' ADE 9 4.981 -4.186 -1.783 96 H1' DA 9 H1' ADE 9 3.089 -5.644 -2.295 97 H8 DA 9 H8 ADE 9 5.503 -6.700 0.534 98 H61 DA 9 H61 ADE 9 0.382 -7.662 3.883 99 H62 DA 9 H62 ADE 9 2.131 -7.662 3.905 100 H2 DA 9 H2 ADE 9 -0.864 -6.528 -0.272 101 H5' DG 10 H5' GUA 10 2.358 -4.067 -3.693 102 H5'' DG 10 H5'' GUA 10 2.219 -2.694 -4.812 103 H4' DG 10 H4' GUA 10 0.438 -2.480 -3.308 104 H3' DG 10 H3' GUA 10 2.232 -0.421 -3.463 105 H2' DG 10 H2' GUA 10 3.346 -0.751 -1.379 106 H2'' DG 10 H2'' GUA 10 1.995 0.227 -0.823 107 H1' DG 10 H1' GUA 10 0.725 -1.714 -0.136 108 H8 DG 10 H8 GUA 10 4.549 -1.977 -0.266 109 H1 DG 10 H1 GUA 10 1.770 -4.750 4.816 110 H21 DG 10 H21 GUA 10 -0.413 -4.703 4.601 111 H22 DG 10 H22 GUA 10 -1.204 -3.994 3.210 112 H5' DC 11 H5' CYT 11 -1.392 -0.081 -0.745 113 H5'' DC 11 H5'' CYT 11 -2.329 1.365 -1.176 114 H4' DC 11 H4' CYT 11 -2.761 1.125 1.069 115 H3' DC 11 H3' CYT 11 -0.822 3.228 0.501 116 H2' DC 11 H2' CYT 11 0.412 2.996 2.428 117 H2'' DC 11 H2'' CYT 11 -1.067 3.181 3.359 118 H1' DC 11 H1' CYT 11 -1.380 0.843 3.567 119 H41 DC 11 H41 CYT 11 4.094 -1.353 5.846 120 H42 DC 11 H42 CYT 11 5.012 -0.631 4.543 121 H5 DC 11 H5 CYT 11 3.981 0.636 2.753 122 H6 DC 11 H6 CYT 11 1.869 1.465 1.858 123 H5' DG 12 H5' GUA 12 -3.792 5.643 3.314 124 H5'' DG 12 H5'' GUA 12 -2.425 5.854 4.428 125 H4' DG 12 H4' GUA 12 -5.175 4.794 5.076 126 H3' DG 12 H3' GUA 12 -4.522 7.434 4.951 127 H2' DG 12 H2' GUA 12 -2.830 7.444 6.642 128 H2'' DG 12 H2'' GUA 12 -4.253 7.763 7.625 129 H1' DG 12 H1' GUA 12 -4.493 5.435 8.247 130 H8 DG 12 H8 GUA 12 -1.049 6.864 7.414 131 H1 DG 12 H1 GUA 12 -1.140 2.642 12.251 132 H21 DG 12 H21 GUA 12 -3.128 1.724 12.414 133 H22 DG 12 H22 GUA 12 -4.443 2.139 11.338 134 H5' DG 13 H5' GUA 13 -8.368 5.829 6.326 135 H5'' DG 13 H5'' GUA 13 -9.870 6.739 6.054 136 H4' DG 13 H4' GUA 13 -10.198 5.519 8.029 137 H3' DG 13 H3' GUA 13 -10.468 8.219 8.157 138 H2' DG 13 H2' GUA 13 -8.382 8.743 9.203 139 H2'' DG 13 H2'' GUA 13 -9.375 8.475 10.628 140 H1' DG 13 H1' GUA 13 -8.632 6.196 10.880 141 H8 DG 13 H8 GUA 13 -6.230 8.425 8.822 142 H1 DG 13 H1 GUA 13 -3.570 5.094 13.625 143 H21 DG 13 H21 GUA 13 -5.076 3.808 14.575 144 H22 DG 13 H22 GUA 13 -6.739 3.758 14.036 145 H5' DG 14 H5' GUA 14 -12.556 4.564 9.381 146 H5'' DG 14 H5'' GUA 14 -14.329 4.481 9.317 147 H4' DG 14 H4' GUA 14 -13.698 3.067 11.064 148 H3' DG 14 H3' GUA 14 -15.348 5.154 11.671 149 H2' DG 14 H2' GUA 14 -13.899 6.566 12.854 150 H2'' DG 14 H2'' GUA 14 -14.259 5.459 14.172 151 H1' DG 14 H1' GUA 14 -12.210 4.317 13.944 152 H8 DG 14 H8 GUA 14 -12.212 7.582 11.872 153 H1 DG 14 H1 GUA 14 -7.106 6.653 15.654 154 H21 DG 14 H21 GUA 14 -7.231 4.686 16.620 155 H22 DG 14 H22 GUA 14 -8.566 3.588 16.345 156 H5' DT 15 H5' THY 15 -14.890 3.285 16.695 157 H5'' DT 15 H5'' THY 15 -14.173 3.411 15.075 158 H4' DT 15 H4' THY 15 -15.123 0.867 16.393 159 H3' DT 15 H3' THY 15 -12.515 2.192 16.523 160 H2' DT 15 H2' THY 15 -11.333 0.605 15.350 161 H2'' DT 15 H2'' THY 15 -12.091 -0.678 16.284 162 H1' DT 15 H1' THY 15 -13.687 -1.075 14.632 163 H3 DT 15 H3 THY 15 -10.827 1.844 11.257 164 H71 DT 15 H51 THY 15 -12.294 -2.258 9.362 165 H72 DT 15 H52 THY 15 -12.528 -3.266 10.811 166 H73 DT 15 H53 THY 15 -10.884 -2.872 10.254 167 H6 DT 15 H6 THY 15 -13.019 -2.116 12.765 168 H5' DC 16 H5' CYT 16 -13.114 -3.483 17.808 169 H5'' DC 16 H5'' CYT 16 -13.192 -3.127 19.546 170 H4' DC 16 H4' CYT 16 -11.361 -4.576 19.209 171 H3' DC 16 H3' CYT 16 -10.391 -1.734 19.666 172 H2' DC 16 H2' CYT 16 -8.177 -2.749 19.794 173 H2'' DC 16 H2'' CYT 16 -8.839 -4.375 19.850 174 H1' DC 16 H1' CYT 16 -8.586 -4.269 17.509 175 H41 DC 16 H41 CYT 16 -5.954 1.124 15.375 176 H42 DC 16 H42 CYT 16 -7.541 1.850 15.247 177 H5 DC 16 H5 CYT 16 -9.555 0.756 16.027 178 H6 DC 16 H6 CYT 16 -10.451 -1.247 17.090 179 H5' DC 17 H5' CYT 17 -7.431 -5.427 20.951 180 H5'' DC 17 H5'' CYT 17 -7.723 -5.871 22.645 181 H4' DC 17 H4' CYT 17 -5.442 -5.287 22.445 182 H3' DC 17 H3' CYT 17 -7.006 -3.996 24.290 183 H2' DC 17 H2' CYT 17 -7.159 -1.872 23.230 184 H2'' DC 17 H2'' CYT 17 -5.625 -1.652 24.060 185 H1' DC 17 H1' CYT 17 -4.340 -2.251 22.109 186 H41 DC 17 H41 CYT 17 -5.949 2.321 18.044 187 H42 DC 17 H42 CYT 17 -7.646 2.172 18.443 188 H5 DC 17 H5 CYT 17 -8.488 0.535 20.018 189 H6 DC 17 H6 CYT 17 -7.874 -1.287 21.519 190 H5' DC 18 H5' CYT 18 -2.455 -2.799 24.100 191 H5'' DC 18 H5'' CYT 18 -1.865 -2.960 25.768 192 H4' DC 18 H4' CYT 18 -0.673 -1.177 24.826 193 H3' DC 18 H3' CYT 18 -2.195 -0.672 27.069 194 H2' DC 18 H2' CYT 18 -3.906 0.611 25.994 195 H2'' DC 18 H2'' CYT 18 -2.740 1.886 26.327 196 H1' DC 18 H1' CYT 18 -1.723 1.686 24.118 197 H41 DC 18 H41 CYT 18 -6.465 3.807 20.510 198 H42 DC 18 H42 CYT 18 -7.650 2.874 21.396 199 H5 DC 18 H5 CYT 18 -7.057 1.385 23.215 200 H6 DC 18 H6 CYT 18 -5.215 0.499 24.547 201 H5' DG 19 H5' GUA 19 0.539 2.926 25.412 202 H5'' DG 19 H5'' GUA 19 1.454 3.348 26.875 203 H4' DG 19 H4' GUA 19 1.216 5.348 25.708 204 H3' DG 19 H3' GUA 19 0.111 5.234 28.222 205 HO3' DG 19 HO3' GUA 19 -0.106 7.709 27.239 206 H2' DG 19 H2' GUA 19 -2.182 5.127 27.529 207 H2'' DG 19 H2'' GUA 19 -1.964 6.870 27.610 208 H1' DG 19 H1' GUA 19 -1.421 7.017 25.233 209 H8 DG 19 H8 GUA 19 -3.666 4.059 26.313 210 H1 DG 19 H1 GUA 19 -5.846 7.612 21.430 211 H21 DG 19 H21 GUA 19 -4.357 9.131 20.881 212 H22 DG 19 H22 GUA 19 -2.822 9.282 21.707 213 HD1 B2U 101 HD1 OTA 20 -5.439 -3.846 14.147 214 HE1 B2U 101 HE1 OTA 20 -7.346 -5.059 15.167 215 HZ B2U 101 HZ OTA 20 -9.652 -4.184 14.911 216 HE2 B2U 101 HE2 OTA 20 -10.054 -2.101 13.627 217 HD2 B2U 101 HD2 OTA 20 -8.146 -0.887 12.606 218 HB1 B2U 101 HB1 OTA 20 -5.824 -0.537 12.748 219 HB2 B2U 101 HB2 OTA 20 -4.708 -1.791 13.343 220 HAM B2U 101 HAM OTA 20 -6.347 -2.314 10.859 221 H B2U 101 H OTA 20 -4.662 -0.112 10.922 222 HAB B2U 101 HAB OTA 20 -1.876 -1.070 10.691 223 HAH B2U 101 HAH OTA 20 0.980 1.361 7.589 224 HAG B2U 101 HAG OTA 20 0.441 2.494 8.851 225 HAI B2U 101 HAI OTA 20 -0.993 3.654 7.306 226 HA2 B2U 101 HA2 OTA 20 0.622 4.528 5.746 227 HA3 B2U 101 HA3 OTA 20 1.546 3.007 5.752 228 HA1 B2U 101 HA1 OTA 20 1.533 4.046 7.198 Start of MODEL 7 1 H5' DC 1 H5' CYT 1 -8.471 14.118 16.880 2 H5'' DC 1 H5'' CYT 1 -8.592 13.117 15.422 3 H4' DC 1 H4' CYT 1 -6.275 13.804 16.454 4 H3' DC 1 H3' CYT 1 -6.958 11.956 14.570 5 H2' DC 1 H2' CYT 1 -6.982 9.979 15.827 6 H2'' DC 1 H2'' CYT 1 -5.239 10.080 15.616 7 H1' DC 1 H1' CYT 1 -4.892 10.911 17.796 8 H41 DC 1 H41 CYT 1 -7.849 6.826 21.608 9 H42 DC 1 H42 CYT 1 -9.351 6.975 20.723 10 H5 DC 1 H5 CYT 1 -9.611 8.433 18.806 11 H6 DC 1 H6 CYT 1 -8.484 10.041 17.357 12 HO5' DC 1 HO5' CYT 1 -9.733 12.621 17.653 13 H5' DG 2 H5' GUA 2 -2.795 11.888 16.277 14 H5'' DG 2 H5'' GUA 2 -1.664 12.298 14.970 15 H4' DG 2 H4' GUA 2 -0.421 11.009 16.460 16 H3' DG 2 H3' GUA 2 -0.727 10.022 13.924 17 H2' DG 2 H2' GUA 2 -2.187 8.208 14.382 18 H2'' DG 2 H2'' GUA 2 -0.665 7.420 14.772 19 H1' DG 2 H1' GUA 2 -0.918 7.826 17.132 20 H8 DG 2 H8 GUA 2 -4.261 8.120 15.199 21 H1 DG 2 H1 GUA 2 -4.281 4.222 20.303 22 H21 DG 2 H21 GUA 2 -2.335 4.294 21.315 23 H22 DG 2 H22 GUA 2 -1.019 5.295 20.746 24 H5' DG 3 H5' GUA 3 2.065 7.579 16.955 25 H5'' DG 3 H5'' GUA 3 3.584 7.483 16.037 26 H4' DG 3 H4' GUA 3 3.479 5.544 17.353 27 H3' DG 3 H3' GUA 3 3.689 5.257 14.635 28 H2' DG 3 H2' GUA 3 1.471 4.506 14.187 29 H2'' DG 3 H2'' GUA 3 2.219 2.964 14.581 30 H1' DG 3 H1' GUA 3 1.471 3.046 16.876 31 H8 DG 3 H8 GUA 3 -0.569 5.073 14.309 32 H1 DG 3 H1 GUA 3 -3.993 1.441 18.350 33 H21 DG 3 H21 GUA 3 -2.672 0.527 19.845 34 H22 DG 3 H22 GUA 3 -0.945 0.800 19.863 35 H5' DG 4 H5' GUA 4 3.507 1.637 17.271 36 H5'' DG 4 H5'' GUA 4 4.958 0.634 17.066 37 H4' DG 4 H4' GUA 4 3.326 -0.887 17.665 38 H3' DG 4 H3' GUA 4 4.356 -1.209 15.134 39 H2' DG 4 H2' GUA 4 2.412 -0.377 13.964 40 H2'' DG 4 H2'' GUA 4 2.026 -2.089 14.069 41 H1' DG 4 H1' GUA 4 0.768 -1.764 16.171 42 H8 DG 4 H8 GUA 4 0.870 1.136 13.623 43 H1 DG 4 H1 GUA 4 -4.944 -0.439 15.850 44 H21 DG 4 H21 GUA 4 -4.764 -1.983 17.400 45 H22 DG 4 H22 GUA 4 -3.220 -2.637 17.897 46 H5' DG 5 H5' GUA 5 1.323 -4.448 15.756 47 H5'' DG 5 H5'' GUA 5 1.985 -6.048 15.361 48 H4' DG 5 H4' GUA 5 -0.199 -5.765 14.377 49 H3' DG 5 H3' GUA 5 2.072 -5.893 12.373 50 H2' DG 5 H2' GUA 5 0.283 -5.984 10.673 51 H2'' DG 5 H2'' GUA 5 -0.969 -6.120 11.900 52 H1' DG 5 H1' GUA 5 -0.899 -3.738 11.649 53 H8 DG 5 H8 GUA 5 2.762 -3.522 12.541 54 H1 DG 5 H1 GUA 5 1.383 -1.529 6.595 55 H21 DG 5 H21 GUA 5 -0.690 -2.043 6.088 56 H22 DG 5 H22 GUA 5 -1.748 -2.877 7.203 57 H5' DC 6 H5' CYT 6 -2.569 -7.241 11.191 58 H5'' DC 6 H5'' CYT 6 -2.798 -8.978 11.479 59 H4' DC 6 H4' CYT 6 -3.293 -8.471 9.192 60 H3' DC 6 H3' CYT 6 -1.593 -10.512 9.860 61 H2' DC 6 H2' CYT 6 0.455 -9.422 9.257 62 H2'' DC 6 H2'' CYT 6 0.029 -10.155 7.718 63 H1' DC 6 H1' CYT 6 -1.059 -8.125 6.922 64 H41 DC 6 H41 CYT 6 3.921 -4.255 6.456 65 H42 DC 6 H42 CYT 6 4.537 -4.748 8.017 66 H5 DC 6 H5 CYT 6 3.388 -6.333 9.445 67 H6 DC 6 H6 CYT 6 1.423 -7.763 9.659 68 H5' DG 7 H5' GUA 7 -1.992 -9.660 5.566 69 H5'' DG 7 H5'' GUA 7 -2.488 -11.048 4.576 70 H4' DG 7 H4' GUA 7 -0.951 -9.691 3.339 71 H3' DG 7 H3' GUA 7 -0.593 -12.385 3.558 72 H2' DG 7 H2' GUA 7 1.191 -12.328 5.182 73 H2'' DG 7 H2'' GUA 7 2.114 -12.279 3.686 74 H1' DG 7 H1' GUA 7 2.222 -9.835 3.711 75 H8 DG 7 H8 GUA 7 1.963 -11.701 7.072 76 H1 DG 7 H1 GUA 7 6.406 -7.075 6.793 77 H21 DG 7 H21 GUA 7 6.268 -6.009 4.879 78 H22 DG 7 H22 GUA 7 5.085 -6.424 3.658 79 H5' DA 8 H5' ADE 8 0.134 -10.017 0.009 80 H5'' DA 8 H5'' ADE 8 0.060 -10.699 -1.629 81 H4' DA 8 H4' ADE 8 1.583 -8.890 -1.675 82 H3' DA 8 H3' ADE 8 2.381 -11.334 -2.561 83 H2' DA 8 H2' ADE 8 3.778 -12.001 -0.758 84 H2'' DA 8 H2'' ADE 8 4.949 -11.057 -1.670 85 H1' DA 8 H1' ADE 8 4.660 -9.127 -0.301 86 H8 DA 8 H8 ADE 8 3.093 -12.181 1.530 87 H61 DA 8 H61 ADE 8 7.122 -10.856 6.042 88 H62 DA 8 H62 ADE 8 5.853 -11.944 5.524 89 H2 DA 8 H2 ADE 8 7.642 -7.826 2.777 90 H5' DA 9 H5' ADE 9 6.884 -8.092 -4.418 91 H5'' DA 9 H5'' ADE 9 7.108 -7.738 -2.692 92 H4' DA 9 H4' ADE 9 4.789 -7.165 -4.487 93 H3' DA 9 H3' ADE 9 6.708 -5.492 -3.475 94 H2' DA 9 H2' ADE 9 6.020 -5.619 -1.167 95 H2'' DA 9 H2'' ADE 9 5.042 -4.267 -1.721 96 H1' DA 9 H1' ADE 9 3.134 -5.723 -2.234 97 H8 DA 9 H8 ADE 9 5.524 -6.756 0.620 98 H61 DA 9 H61 ADE 9 0.374 -7.639 3.944 99 H62 DA 9 H62 ADE 9 2.123 -7.633 3.982 100 H2 DA 9 H2 ADE 9 -0.835 -6.597 -0.247 101 H5' DG 10 H5' GUA 10 2.442 -4.157 -3.675 102 H5'' DG 10 H5'' GUA 10 2.328 -2.794 -4.807 103 H4' DG 10 H4' GUA 10 0.527 -2.560 -3.326 104 H3' DG 10 H3' GUA 10 2.325 -0.504 -3.490 105 H2' DG 10 H2' GUA 10 3.415 -0.798 -1.396 106 H2'' DG 10 H2'' GUA 10 2.054 0.181 -0.866 107 H1' DG 10 H1' GUA 10 0.781 -1.744 -0.166 108 H8 DG 10 H8 GUA 10 4.605 -1.994 -0.238 109 H1 DG 10 H1 GUA 10 1.771 -4.717 4.840 110 H21 DG 10 H21 GUA 10 -0.410 -4.696 4.588 111 H22 DG 10 H22 GUA 10 -1.184 -4.015 3.175 112 H5' DC 11 H5' CYT 11 -1.320 -0.142 -0.809 113 H5'' DC 11 H5'' CYT 11 -2.263 1.290 -1.273 114 H4' DC 11 H4' CYT 11 -2.721 1.081 0.970 115 H3' DC 11 H3' CYT 11 -0.787 3.184 0.395 116 H2' DC 11 H2' CYT 11 0.429 2.983 2.339 117 H2'' DC 11 H2'' CYT 11 -1.061 3.176 3.252 118 H1' DC 11 H1' CYT 11 -1.365 0.838 3.490 119 H41 DC 11 H41 CYT 11 4.087 -1.320 5.849 120 H42 DC 11 H42 CYT 11 5.016 -0.617 4.543 121 H5 DC 11 H5 CYT 11 4.003 0.627 2.727 122 H6 DC 11 H6 CYT 11 1.899 1.444 1.801 123 H5' DG 12 H5' GUA 12 -3.805 5.603 3.164 124 H5'' DG 12 H5'' GUA 12 -2.439 5.836 4.274 125 H4' DG 12 H4' GUA 12 -5.173 4.747 4.938 126 H3' DG 12 H3' GUA 12 -4.564 7.394 4.774 127 H2' DG 12 H2' GUA 12 -2.867 7.452 6.465 128 H2'' DG 12 H2'' GUA 12 -4.295 7.768 7.443 129 H1' DG 12 H1' GUA 12 -4.505 5.442 8.095 130 H8 DG 12 H8 GUA 12 -1.072 6.892 7.241 131 H1 DG 12 H1 GUA 12 -1.148 2.790 12.180 132 H21 DG 12 H21 GUA 12 -3.127 1.854 12.354 133 H22 DG 12 H22 GUA 12 -4.440 2.229 11.261 134 H5' DG 13 H5' GUA 13 -8.370 5.757 6.238 135 H5'' DG 13 H5'' GUA 13 -9.888 6.639 5.971 136 H4' DG 13 H4' GUA 13 -10.181 5.453 7.968 137 H3' DG 13 H3' GUA 13 -10.461 8.154 8.060 138 H2' DG 13 H2' GUA 13 -8.355 8.688 9.082 139 H2'' DG 13 H2'' GUA 13 -9.340 8.450 10.519 140 H1' DG 13 H1' GUA 13 -8.593 6.159 10.788 141 H8 DG 13 H8 GUA 13 -6.212 8.368 8.685 142 H1 DG 13 H1 GUA 13 -3.513 5.143 13.538 143 H21 DG 13 H21 GUA 13 -5.003 3.861 14.514 144 H22 DG 13 H22 GUA 13 -6.668 3.787 13.983 145 H5' DG 14 H5' GUA 14 -12.546 4.520 9.398 146 H5'' DG 14 H5'' GUA 14 -14.319 4.444 9.339 147 H4' DG 14 H4' GUA 14 -13.700 3.083 11.127 148 H3' DG 14 H3' GUA 14 -15.326 5.202 11.679 149 H2' DG 14 H2' GUA 14 -13.843 6.637 12.800 150 H2'' DG 14 H2'' GUA 14 -14.220 5.587 14.160 151 H1' DG 14 H1' GUA 14 -12.196 4.387 13.963 152 H8 DG 14 H8 GUA 14 -12.127 7.599 11.808 153 H1 DG 14 H1 GUA 14 -7.037 6.648 15.606 154 H21 DG 14 H21 GUA 14 -7.210 4.714 16.629 155 H22 DG 14 H22 GUA 14 -8.573 3.643 16.387 156 H5' DT 15 H5' THY 15 -14.957 3.345 16.773 157 H5'' DT 15 H5'' THY 15 -14.200 3.501 15.174 158 H4' DT 15 H4' THY 15 -15.176 0.946 16.450 159 H3' DT 15 H3' THY 15 -12.550 2.243 16.537 160 H2' DT 15 H2' THY 15 -11.413 0.643 15.337 161 H2'' DT 15 H2'' THY 15 -12.168 -0.632 16.286 162 H1' DT 15 H1' THY 15 -13.813 -1.001 14.667 163 H3 DT 15 H3 THY 15 -11.178 1.917 11.122 164 H71 DT 15 H51 THY 15 -10.980 -2.529 9.874 165 H72 DT 15 H52 THY 15 -12.756 -2.650 9.847 166 H73 DT 15 H53 THY 15 -11.831 -3.396 11.171 167 H6 DT 15 H6 THY 15 -12.980 -2.125 12.903 168 H5' DC 16 H5' CYT 16 -13.173 -3.420 17.784 169 H5'' DC 16 H5'' CYT 16 -13.224 -3.094 19.530 170 H4' DC 16 H4' CYT 16 -11.407 -4.552 19.136 171 H3' DC 16 H3' CYT 16 -10.417 -1.729 19.638 172 H2' DC 16 H2' CYT 16 -8.199 -2.752 19.701 173 H2'' DC 16 H2'' CYT 16 -8.865 -4.379 19.737 174 H1' DC 16 H1' CYT 16 -8.654 -4.215 17.388 175 H41 DC 16 H41 CYT 16 -6.045 1.213 15.324 176 H42 DC 16 H42 CYT 16 -7.633 1.943 15.233 177 H5 DC 16 H5 CYT 16 -9.637 0.838 16.026 178 H6 DC 16 H6 CYT 16 -10.520 -1.185 17.065 179 H5' DC 17 H5' CYT 17 -7.442 -5.455 20.797 180 H5'' DC 17 H5'' CYT 17 -7.720 -5.940 22.483 181 H4' DC 17 H4' CYT 17 -5.439 -5.352 22.278 182 H3' DC 17 H3' CYT 17 -6.986 -4.098 24.158 183 H2' DC 17 H2' CYT 17 -7.146 -1.954 23.143 184 H2'' DC 17 H2'' CYT 17 -5.604 -1.751 23.963 185 H1' DC 17 H1' CYT 17 -4.336 -2.314 21.987 186 H41 DC 17 H41 CYT 17 -5.971 2.330 18.018 187 H42 DC 17 H42 CYT 17 -7.663 2.189 18.442 188 H5 DC 17 H5 CYT 17 -8.494 0.530 19.999 189 H6 DC 17 H6 CYT 17 -7.871 -1.323 21.460 190 H5' DC 18 H5' CYT 18 -2.424 -2.892 23.969 191 H5'' DC 18 H5'' CYT 18 -1.835 -3.103 25.630 192 H4' DC 18 H4' CYT 18 -0.636 -1.298 24.739 193 H3' DC 18 H3' CYT 18 -2.159 -0.846 26.990 194 H2' DC 18 H2' CYT 18 -3.857 0.482 25.944 195 H2'' DC 18 H2'' CYT 18 -2.681 1.736 26.312 196 H1' DC 18 H1' CYT 18 -1.668 1.586 24.090 197 H41 DC 18 H41 CYT 18 -6.412 3.791 20.533 198 H42 DC 18 H42 CYT 18 -7.593 2.826 21.391 199 H5 DC 18 H5 CYT 18 -7.000 1.293 23.169 200 H6 DC 18 H6 CYT 18 -5.157 0.381 24.483 201 H5' DG 19 H5' GUA 19 0.588 2.533 25.427 202 H5'' DG 19 H5'' GUA 19 1.686 2.923 26.767 203 H4' DG 19 H4' GUA 19 1.507 4.908 25.588 204 H3' DG 19 H3' GUA 19 0.562 4.952 28.163 205 HO3' DG 19 HO3' GUA 19 1.384 6.884 28.035 206 H2' DG 19 H2' GUA 19 -1.775 5.008 27.629 207 H2'' DG 19 H2'' GUA 19 -1.420 6.730 27.622 208 H1' DG 19 H1' GUA 19 -1.045 6.751 25.208 209 H8 DG 19 H8 GUA 19 -3.376 3.956 26.520 210 H1 DG 19 H1 GUA 19 -5.688 7.524 21.707 211 H21 DG 19 H21 GUA 19 -4.165 8.952 21.028 212 H22 DG 19 H22 GUA 19 -2.574 9.041 21.749 213 HD1 B2U 101 HD1 OTA 20 -5.413 -3.773 14.059 214 HE1 B2U 101 HE1 OTA 20 -7.298 -5.000 15.106 215 HZ B2U 101 HZ OTA 20 -9.608 -4.117 14.919 216 HE2 B2U 101 HE2 OTA 20 -10.035 -2.011 13.681 217 HD2 B2U 101 HD2 OTA 20 -8.150 -0.785 12.634 218 HB1 B2U 101 HB1 OTA 20 -5.811 -0.442 12.746 219 HB2 B2U 101 HB2 OTA 20 -4.692 -1.730 13.249 220 HAM B2U 101 HAM OTA 20 -6.437 -2.147 10.819 221 H B2U 101 H OTA 20 -4.749 0.043 10.879 222 HAB B2U 101 HAB OTA 20 -2.028 -0.875 10.654 223 HAH B2U 101 HAH OTA 20 0.957 1.388 7.542 224 HAG B2U 101 HAG OTA 20 0.406 2.571 8.750 225 HAI B2U 101 HAI OTA 20 -0.950 3.716 7.135 226 HA2 B2U 101 HA2 OTA 20 0.738 4.632 5.816 227 HA3 B2U 101 HA3 OTA 20 1.445 3.043 5.435 228 HA1 B2U 101 HA1 OTA 20 1.715 3.778 7.034 Start of MODEL 8 1 H5' DC 1 H5' CYT 1 -9.294 13.044 17.054 2 H5'' DC 1 H5'' CYT 1 -8.865 13.810 15.514 3 H4' DC 1 H4' CYT 1 -6.833 13.699 16.520 4 H3' DC 1 H3' CYT 1 -7.044 11.986 14.399 5 H2' DC 1 H2' CYT 1 -7.164 9.924 15.549 6 H2'' DC 1 H2'' CYT 1 -5.416 10.114 15.547 7 H1' DC 1 H1' CYT 1 -5.371 10.958 17.780 8 H41 DC 1 H41 CYT 1 -7.944 6.215 21.074 9 H42 DC 1 H42 CYT 1 -9.363 6.175 20.050 10 H5 DC 1 H5 CYT 1 -9.684 7.692 18.189 11 H6 DC 1 H6 CYT 1 -8.713 9.547 16.938 12 HO5' DC 1 HO5' CYT 1 -10.064 11.489 15.904 13 H5' DG 2 H5' GUA 2 -2.841 12.014 16.627 14 H5'' DG 2 H5'' GUA 2 -1.740 12.458 15.306 15 H4' DG 2 H4' GUA 2 -0.522 11.067 16.755 16 H3' DG 2 H3' GUA 2 -0.775 10.318 14.131 17 H2' DG 2 H2' GUA 2 -2.277 8.495 14.415 18 H2'' DG 2 H2'' GUA 2 -0.763 7.655 14.716 19 H1' DG 2 H1' GUA 2 -0.978 7.865 17.110 20 H8 DG 2 H8 GUA 2 -4.280 8.120 15.125 21 H1 DG 2 H1 GUA 2 -4.321 4.095 20.127 22 H21 DG 2 H21 GUA 2 -2.415 4.219 21.211 23 H22 DG 2 H22 GUA 2 -1.123 5.289 20.716 24 H5' DG 3 H5' GUA 3 1.898 7.966 17.030 25 H5'' DG 3 H5'' GUA 3 3.528 7.893 16.328 26 H4' DG 3 H4' GUA 3 3.387 6.006 17.671 27 H3' DG 3 H3' GUA 3 3.756 5.566 14.992 28 H2' DG 3 H2' GUA 3 1.570 4.755 14.471 29 H2'' DG 3 H2'' GUA 3 2.323 3.251 14.981 30 H1' DG 3 H1' GUA 3 1.463 3.448 17.238 31 H8 DG 3 H8 GUA 3 -0.530 5.419 14.572 32 H1 DG 3 H1 GUA 3 -3.965 1.521 18.345 33 H21 DG 3 H21 GUA 3 -2.670 0.609 19.865 34 H22 DG 3 H22 GUA 3 -0.957 0.949 19.965 35 H5' DG 4 H5' GUA 4 3.640 1.737 17.799 36 H5'' DG 4 H5'' GUA 4 5.149 0.888 17.402 37 H4' DG 4 H4' GUA 4 3.572 -0.769 17.936 38 H3' DG 4 H3' GUA 4 4.762 -0.862 15.465 39 H2' DG 4 H2' GUA 4 2.845 -0.073 14.223 40 H2'' DG 4 H2'' GUA 4 2.572 -1.810 14.188 41 H1' DG 4 H1' GUA 4 1.152 -1.718 16.201 42 H8 DG 4 H8 GUA 4 1.248 1.305 13.816 43 H1 DG 4 H1 GUA 4 -4.597 -0.578 15.690 44 H21 DG 4 H21 GUA 4 -4.431 -2.175 17.187 45 H22 DG 4 H22 GUA 4 -2.887 -2.790 17.735 46 H5' DG 5 H5' GUA 5 1.770 -4.116 15.942 47 H5'' DG 5 H5'' GUA 5 2.402 -5.730 15.558 48 H4' DG 5 H4' GUA 5 0.181 -5.446 14.658 49 H3' DG 5 H3' GUA 5 2.364 -5.652 12.565 50 H2' DG 5 H2' GUA 5 0.500 -5.772 10.949 51 H2'' DG 5 H2'' GUA 5 -0.698 -5.857 12.234 52 H1' DG 5 H1' GUA 5 -0.612 -3.485 11.911 53 H8 DG 5 H8 GUA 5 3.090 -3.297 12.630 54 H1 DG 5 H1 GUA 5 1.461 -1.427 6.707 55 H21 DG 5 H21 GUA 5 -0.641 -1.923 6.310 56 H22 DG 5 H22 GUA 5 -1.657 -2.716 7.493 57 H5' DC 6 H5' CYT 6 -2.348 -6.978 11.662 58 H5'' DC 6 H5'' CYT 6 -2.580 -8.707 11.994 59 H4' DC 6 H4' CYT 6 -3.188 -8.223 9.724 60 H3' DC 6 H3' CYT 6 -1.501 -10.289 10.349 61 H2' DC 6 H2' CYT 6 0.537 -9.250 9.622 62 H2'' DC 6 H2'' CYT 6 0.021 -10.011 8.123 63 H1' DC 6 H1' CYT 6 -1.074 -7.973 7.339 64 H41 DC 6 H41 CYT 6 3.948 -4.215 6.522 65 H42 DC 6 H42 CYT 6 4.638 -4.688 8.058 66 H5 DC 6 H5 CYT 6 3.540 -6.222 9.577 67 H6 DC 6 H6 CYT 6 1.562 -7.607 9.928 68 H5' DG 7 H5' GUA 7 -2.135 -9.499 6.089 69 H5'' DG 7 H5'' GUA 7 -2.761 -10.873 5.154 70 H4' DG 7 H4' GUA 7 -1.287 -9.587 3.781 71 H3' DG 7 H3' GUA 7 -1.000 -12.291 4.004 72 H2' DG 7 H2' GUA 7 0.912 -12.276 5.475 73 H2'' DG 7 H2'' GUA 7 1.708 -12.275 3.907 74 H1' DG 7 H1' GUA 7 1.895 -9.837 3.884 75 H8 DG 7 H8 GUA 7 1.866 -11.654 7.282 76 H1 DG 7 H1 GUA 7 6.432 -7.199 6.544 77 H21 DG 7 H21 GUA 7 6.160 -6.150 4.636 78 H22 DG 7 H22 GUA 7 4.860 -6.534 3.531 79 H5' DA 8 H5' ADE 8 -0.500 -9.987 0.379 80 H5'' DA 8 H5'' ADE 8 -0.744 -10.681 -1.238 81 H4' DA 8 H4' ADE 8 0.837 -8.935 -1.440 82 H3' DA 8 H3' ADE 8 1.460 -11.416 -2.361 83 H2' DA 8 H2' ADE 8 2.984 -12.120 -0.678 84 H2'' DA 8 H2'' ADE 8 4.105 -11.231 -1.701 85 H1' DA 8 H1' ADE 8 4.010 -9.277 -0.337 86 H8 DA 8 H8 ADE 8 2.493 -12.247 1.667 87 H61 DA 8 H61 ADE 8 6.954 -11.039 5.787 88 H62 DA 8 H62 ADE 8 5.602 -12.079 5.400 89 H2 DA 8 H2 ADE 8 7.305 -8.069 2.445 90 H5' DA 9 H5' ADE 9 5.913 -8.375 -4.634 91 H5'' DA 9 H5'' ADE 9 6.297 -8.023 -2.935 92 H4' DA 9 H4' ADE 9 3.860 -7.361 -4.532 93 H3' DA 9 H3' ADE 9 5.927 -5.763 -3.707 94 H2' DA 9 H2' ADE 9 5.435 -5.862 -1.343 95 H2'' DA 9 H2'' ADE 9 4.483 -4.463 -1.818 96 H1' DA 9 H1' ADE 9 2.469 -5.831 -2.166 97 H8 DA 9 H8 ADE 9 5.038 -6.936 0.496 98 H61 DA 9 H61 ADE 9 0.147 -7.580 4.239 99 H62 DA 9 H62 ADE 9 1.892 -7.643 4.134 100 H2 DA 9 H2 ADE 9 -1.361 -6.532 0.147 101 H5' DG 10 H5' GUA 10 1.737 -4.233 -3.495 102 H5'' DG 10 H5'' GUA 10 1.571 -2.880 -4.633 103 H4' DG 10 H4' GUA 10 -0.053 -2.536 -2.983 104 H3' DG 10 H3' GUA 10 1.826 -0.578 -3.352 105 H2' DG 10 H2' GUA 10 3.097 -0.930 -1.365 106 H2'' DG 10 H2'' GUA 10 1.859 0.144 -0.726 107 H1' DG 10 H1' GUA 10 0.518 -1.697 0.096 108 H8 DG 10 H8 GUA 10 4.311 -2.125 -0.230 109 H1 DG 10 H1 GUA 10 1.710 -4.672 5.059 110 H21 DG 10 H21 GUA 10 -0.480 -4.559 4.952 111 H22 DG 10 H22 GUA 10 -1.318 -3.859 3.585 112 H5' DC 11 H5' CYT 11 -1.666 0.092 -0.454 113 H5'' DC 11 H5'' CYT 11 -2.497 1.600 -0.887 114 H4' DC 11 H4' CYT 11 -2.852 1.435 1.384 115 H3' DC 11 H3' CYT 11 -0.801 3.378 0.674 116 H2' DC 11 H2' CYT 11 0.497 3.121 2.556 117 H2'' DC 11 H2'' CYT 11 -0.927 3.412 3.545 118 H1' DC 11 H1' CYT 11 -1.353 1.104 3.834 119 H41 DC 11 H41 CYT 11 4.097 -1.415 5.811 120 H42 DC 11 H42 CYT 11 4.978 -0.766 4.445 121 H5 DC 11 H5 CYT 11 3.925 0.547 2.704 122 H6 DC 11 H6 CYT 11 1.819 1.498 1.922 123 H5' DG 12 H5' GUA 12 -3.514 6.056 3.562 124 H5'' DG 12 H5'' GUA 12 -2.067 6.229 4.579 125 H4' DG 12 H4' GUA 12 -4.829 5.359 5.416 126 H3' DG 12 H3' GUA 12 -4.000 7.933 5.242 127 H2' DG 12 H2' GUA 12 -2.147 7.781 6.766 128 H2'' DG 12 H2'' GUA 12 -3.436 8.258 7.863 129 H1' DG 12 H1' GUA 12 -3.870 5.969 8.538 130 H8 DG 12 H8 GUA 12 -0.375 7.049 7.441 131 H1 DG 12 H1 GUA 12 -0.528 2.903 12.342 132 H21 DG 12 H21 GUA 12 -2.577 2.179 12.653 133 H22 DG 12 H22 GUA 12 -3.918 2.707 11.662 134 H5' DG 13 H5' GUA 13 -7.778 5.780 6.190 135 H5'' DG 13 H5'' GUA 13 -9.350 6.491 5.767 136 H4' DG 13 H4' GUA 13 -9.713 5.305 7.745 137 H3' DG 13 H3' GUA 13 -10.264 7.967 7.783 138 H2' DG 13 H2' GUA 13 -8.304 8.700 8.958 139 H2'' DG 13 H2'' GUA 13 -9.384 8.391 10.311 140 H1' DG 13 H1' GUA 13 -8.479 6.180 10.687 141 H8 DG 13 H8 GUA 13 -6.185 8.727 8.924 142 H1 DG 13 H1 GUA 13 -3.494 5.395 13.709 143 H21 DG 13 H21 GUA 13 -4.892 3.873 14.448 144 H22 DG 13 H22 GUA 13 -6.492 3.665 13.775 145 H5' DG 14 H5' GUA 14 -12.185 4.182 8.965 146 H5'' DG 14 H5'' GUA 14 -13.945 4.001 8.815 147 H4' DG 14 H4' GUA 14 -13.360 2.664 10.625 148 H3' DG 14 H3' GUA 14 -15.086 4.718 11.128 149 H2' DG 14 H2' GUA 14 -13.693 6.187 12.322 150 H2'' DG 14 H2'' GUA 14 -14.104 5.114 13.654 151 H1' DG 14 H1' GUA 14 -12.044 3.951 13.526 152 H8 DG 14 H8 GUA 14 -11.950 7.234 11.483 153 H1 DG 14 H1 GUA 14 -7.040 6.283 15.509 154 H21 DG 14 H21 GUA 14 -7.212 4.310 16.456 155 H22 DG 14 H22 GUA 14 -8.531 3.215 16.109 156 H5' DT 15 H5' THY 15 -14.834 2.857 16.209 157 H5'' DT 15 H5'' THY 15 -14.034 3.039 14.634 158 H4' DT 15 H4' THY 15 -14.953 0.448 15.879 159 H3' DT 15 H3' THY 15 -12.389 1.851 16.086 160 H2' DT 15 H2' THY 15 -11.131 0.309 14.935 161 H2'' DT 15 H2'' THY 15 -11.875 -1.002 15.840 162 H1' DT 15 H1' THY 15 -13.419 -1.434 14.149 163 H3 DT 15 H3 THY 15 -10.453 1.540 10.912 164 H71 DT 15 H51 THY 15 -11.526 -2.421 8.800 165 H72 DT 15 H52 THY 15 -12.569 -3.279 9.959 166 H73 DT 15 H53 THY 15 -10.798 -3.394 10.096 167 H6 DT 15 H6 THY 15 -12.787 -2.404 12.237 168 H5' DC 16 H5' CYT 16 -12.824 -3.842 17.274 169 H5'' DC 16 H5'' CYT 16 -12.969 -3.531 19.016 170 H4' DC 16 H4' CYT 16 -11.077 -4.903 18.711 171 H3' DC 16 H3' CYT 16 -10.227 -2.039 19.253 172 H2' DC 16 H2' CYT 16 -7.975 -2.967 19.412 173 H2'' DC 16 H2'' CYT 16 -8.571 -4.621 19.429 174 H1' DC 16 H1' CYT 16 -8.264 -4.459 17.097 175 H41 DC 16 H41 CYT 16 -5.768 1.047 15.113 176 H42 DC 16 H42 CYT 16 -7.375 1.720 14.947 177 H5 DC 16 H5 CYT 16 -9.372 0.548 15.659 178 H6 DC 16 H6 CYT 16 -10.227 -1.500 16.671 179 H5' DC 17 H5' CYT 17 -7.125 -5.602 20.547 180 H5'' DC 17 H5'' CYT 17 -7.485 -6.130 22.204 181 H4' DC 17 H4' CYT 17 -5.230 -5.440 22.167 182 H3' DC 17 H3' CYT 17 -6.952 -4.267 23.944 183 H2' DC 17 H2' CYT 17 -7.133 -2.120 22.947 184 H2'' DC 17 H2'' CYT 17 -5.649 -1.865 23.855 185 H1' DC 17 H1' CYT 17 -4.255 -2.322 21.945 186 H41 DC 17 H41 CYT 17 -5.965 2.241 17.914 187 H42 DC 17 H42 CYT 17 -7.665 1.978 18.231 188 H5 DC 17 H5 CYT 17 -8.473 0.250 19.724 189 H6 DC 17 H6 CYT 17 -7.813 -1.569 21.210 190 H5' DC 18 H5' CYT 18 -2.673 -2.981 23.797 191 H5'' DC 18 H5'' CYT 18 -1.875 -3.267 25.357 192 H4' DC 18 H4' CYT 18 -0.727 -1.463 24.502 193 H3' DC 18 H3' CYT 18 -2.188 -0.937 26.777 194 H2' DC 18 H2' CYT 18 -3.893 0.390 25.735 195 H2'' DC 18 H2'' CYT 18 -2.695 1.636 26.062 196 H1' DC 18 H1' CYT 18 -1.715 1.422 23.826 197 H41 DC 18 H41 CYT 18 -6.470 3.698 20.334 198 H42 DC 18 H42 CYT 18 -7.654 2.740 21.195 199 H5 DC 18 H5 CYT 18 -7.061 1.196 22.965 200 H6 DC 18 H6 CYT 18 -5.217 0.263 24.262 201 H5' DG 19 H5' GUA 19 0.560 2.627 25.089 202 H5'' DG 19 H5'' GUA 19 1.537 2.996 26.526 203 H4' DG 19 H4' GUA 19 1.293 5.025 25.392 204 H3' DG 19 H3' GUA 19 0.335 4.887 27.954 205 HO3' DG 19 HO3' GUA 19 0.101 7.383 26.995 206 H2' DG 19 H2' GUA 19 -2.000 4.832 27.407 207 H2'' DG 19 H2'' GUA 19 -1.746 6.569 27.496 208 H1' DG 19 H1' GUA 19 -1.371 6.744 25.087 209 H8 DG 19 H8 GUA 19 -3.577 3.833 26.331 210 H1 DG 19 H1 GUA 19 -5.951 7.251 21.441 211 H21 DG 19 H21 GUA 19 -4.478 8.737 20.773 212 H22 DG 19 H22 GUA 19 -2.906 8.900 21.521 213 HD1 B2U 101 HD1 OTA 20 -5.055 -3.853 13.800 214 HE1 B2U 101 HE1 OTA 20 -6.872 -5.134 14.899 215 HZ B2U 101 HZ OTA 20 -9.230 -4.405 14.647 216 HE2 B2U 101 HE2 OTA 20 -9.769 -2.396 13.297 217 HD2 B2U 101 HD2 OTA 20 -7.952 -1.116 12.197 218 HB1 B2U 101 HB1 OTA 20 -5.395 -0.655 12.673 219 HB2 B2U 101 HB2 OTA 20 -4.413 -2.136 12.568 220 HAM B2U 101 HAM OTA 20 -6.466 -1.141 10.546 221 H B2U 101 H OTA 20 -3.766 -1.713 9.655 222 HAB B2U 101 HAB OTA 20 -1.770 -0.091 11.253 223 HAH B2U 101 HAH OTA 20 1.289 1.386 7.770 224 HAG B2U 101 HAG OTA 20 0.997 2.751 8.873 225 HAI B2U 101 HAI OTA 20 -0.267 3.935 7.220 226 HA2 B2U 101 HA2 OTA 20 1.825 2.732 5.428 227 HA3 B2U 101 HA3 OTA 20 2.370 3.498 6.940 228 HA1 B2U 101 HA1 OTA 20 1.449 4.443 5.745 Start of MODEL 9 1 H5' DC 1 H5' CYT 1 -8.795 13.984 16.756 2 H5'' DC 1 H5'' CYT 1 -8.811 12.793 15.443 3 H4' DC 1 H4' CYT 1 -6.581 13.732 16.587 4 H3' DC 1 H3' CYT 1 -7.060 11.814 14.706 5 H2' DC 1 H2' CYT 1 -7.049 9.861 16.015 6 H2'' DC 1 H2'' CYT 1 -5.306 10.050 15.890 7 H1' DC 1 H1' CYT 1 -5.130 10.956 18.069 8 H41 DC 1 H41 CYT 1 -8.025 6.720 21.763 9 H42 DC 1 H42 CYT 1 -9.510 6.825 20.846 10 H5 DC 1 H5 CYT 1 -9.775 8.287 18.933 11 H6 DC 1 H6 CYT 1 -8.669 9.936 17.515 12 HO5' DC 1 HO5' CYT 1 -10.116 12.496 17.541 13 H5' DG 2 H5' GUA 2 -2.789 11.972 16.448 14 H5'' DG 2 H5'' GUA 2 -1.722 12.338 15.076 15 H4' DG 2 H4' GUA 2 -0.448 11.067 16.585 16 H3' DG 2 H3' GUA 2 -0.763 10.123 14.033 17 H2' DG 2 H2' GUA 2 -2.195 8.286 14.456 18 H2'' DG 2 H2'' GUA 2 -0.664 7.508 14.833 19 H1' DG 2 H1' GUA 2 -0.919 7.852 17.191 20 H8 DG 2 H8 GUA 2 -4.259 8.175 15.259 21 H1 DG 2 H1 GUA 2 -4.283 4.171 20.282 22 H21 DG 2 H21 GUA 2 -2.341 4.232 21.306 23 H22 DG 2 H22 GUA 2 -1.028 5.253 20.765 24 H5' DG 3 H5' GUA 3 2.088 7.666 17.000 25 H5'' DG 3 H5'' GUA 3 3.596 7.591 16.064 26 H4' DG 3 H4' GUA 3 3.525 5.644 17.373 27 H3' DG 3 H3' GUA 3 3.718 5.370 14.648 28 H2' DG 3 H2' GUA 3 1.511 4.592 14.208 29 H2'' DG 3 H2'' GUA 3 2.276 3.058 14.602 30 H1' DG 3 H1' GUA 3 1.529 3.125 16.890 31 H8 DG 3 H8 GUA 3 -0.523 5.144 14.325 32 H1 DG 3 H1 GUA 3 -3.935 1.521 18.386 33 H21 DG 3 H21 GUA 3 -2.610 0.612 19.882 34 H22 DG 3 H22 GUA 3 -0.882 0.886 19.896 35 H5' DG 4 H5' GUA 4 3.598 1.730 17.260 36 H5'' DG 4 H5'' GUA 4 5.061 0.747 17.041 37 H4' DG 4 H4' GUA 4 3.446 -0.794 17.642 38 H3' DG 4 H3' GUA 4 4.483 -1.103 15.112 39 H2' DG 4 H2' GUA 4 2.540 -0.291 13.936 40 H2'' DG 4 H2'' GUA 4 2.165 -2.005 14.042 41 H1' DG 4 H1' GUA 4 0.899 -1.698 16.133 42 H8 DG 4 H8 GUA 4 0.980 1.200 13.585 43 H1 DG 4 H1 GUA 4 -4.828 -0.394 15.814 44 H21 DG 4 H21 GUA 4 -4.646 -1.933 17.370 45 H22 DG 4 H22 GUA 4 -3.099 -2.579 17.872 46 H5' DG 5 H5' GUA 5 1.459 -4.361 15.768 47 H5'' DG 5 H5'' GUA 5 2.124 -5.960 15.376 48 H4' DG 5 H4' GUA 5 -0.075 -5.696 14.422 49 H3' DG 5 H3' GUA 5 2.168 -5.836 12.382 50 H2' DG 5 H2' GUA 5 0.356 -5.952 10.711 51 H2'' DG 5 H2'' GUA 5 -0.878 -6.078 11.958 52 H1' DG 5 H1' GUA 5 -0.824 -3.703 11.681 53 H8 DG 5 H8 GUA 5 2.851 -3.463 12.522 54 H1 DG 5 H1 GUA 5 1.383 -1.530 6.576 55 H21 DG 5 H21 GUA 5 -0.695 -2.060 6.101 56 H22 DG 5 H22 GUA 5 -1.734 -2.890 7.238 57 H5' DC 6 H5' CYT 6 -2.485 -7.213 11.291 58 H5'' DC 6 H5'' CYT 6 -2.706 -8.949 11.598 59 H4' DC 6 H4' CYT 6 -3.242 -8.453 9.312 60 H3' DC 6 H3' CYT 6 -1.543 -10.493 9.976 61 H2' DC 6 H2' CYT 6 0.505 -9.410 9.331 62 H2'' DC 6 H2'' CYT 6 0.059 -10.165 7.808 63 H1' DC 6 H1' CYT 6 -1.038 -8.130 7.004 64 H41 DC 6 H41 CYT 6 3.941 -4.269 6.447 65 H42 DC 6 H42 CYT 6 4.574 -4.747 8.006 66 H5 DC 6 H5 CYT 6 3.442 -6.321 9.459 67 H6 DC 6 H6 CYT 6 1.480 -7.749 9.707 68 H5' DG 7 H5' GUA 7 -2.009 -9.688 5.674 69 H5'' DG 7 H5'' GUA 7 -2.505 -11.087 4.698 70 H4' DG 7 H4' GUA 7 -0.983 -9.737 3.440 71 H3' DG 7 H3' GUA 7 -0.608 -12.432 3.681 72 H2' DG 7 H2' GUA 7 1.185 -12.347 5.293 73 H2'' DG 7 H2'' GUA 7 2.097 -12.313 3.790 74 H1' DG 7 H1' GUA 7 2.189 -9.872 3.778 75 H8 DG 7 H8 GUA 7 1.975 -11.695 7.167 76 H1 DG 7 H1 GUA 7 6.434 -7.090 6.762 77 H21 DG 7 H21 GUA 7 6.268 -6.046 4.837 78 H22 DG 7 H22 GUA 7 5.065 -6.470 3.639 79 H5' DA 8 H5' ADE 8 0.072 -10.110 0.098 80 H5'' DA 8 H5'' ADE 8 -0.017 -10.812 -1.531 81 H4' DA 8 H4' ADE 8 1.501 -9.000 -1.615 82 H3' DA 8 H3' ADE 8 2.297 -11.452 -2.481 83 H2' DA 8 H2' ADE 8 3.714 -12.094 -0.681 84 H2'' DA 8 H2'' ADE 8 4.874 -11.158 -1.616 85 H1' DA 8 H1' ADE 8 4.591 -9.210 -0.268 86 H8 DA 8 H8 ADE 8 3.052 -12.246 1.618 87 H61 DA 8 H61 ADE 8 7.119 -10.842 6.075 88 H62 DA 8 H62 ADE 8 5.848 -11.941 5.587 89 H2 DA 8 H2 ADE 8 7.600 -7.860 2.761 90 H5' DA 9 H5' ADE 9 6.777 -8.222 -4.421 91 H5'' DA 9 H5'' ADE 9 7.016 -7.845 -2.703 92 H4' DA 9 H4' ADE 9 4.679 -7.296 -4.483 93 H3' DA 9 H3' ADE 9 6.605 -5.607 -3.512 94 H2' DA 9 H2' ADE 9 5.938 -5.709 -1.194 95 H2'' DA 9 H2'' ADE 9 4.957 -4.362 -1.754 96 H1' DA 9 H1' ADE 9 3.041 -5.827 -2.230 97 H8 DA 9 H8 ADE 9 5.463 -6.821 0.609 98 H61 DA 9 H61 ADE 9 0.352 -7.692 3.997 99 H62 DA 9 H62 ADE 9 2.101 -7.681 4.016 100 H2 DA 9 H2 ADE 9 -0.907 -6.694 -0.191 101 H5' DG 10 H5' GUA 10 2.338 -4.283 -3.674 102 H5'' DG 10 H5'' GUA 10 2.199 -2.937 -4.823 103 H4' DG 10 H4' GUA 10 0.421 -2.690 -3.315 104 H3' DG 10 H3' GUA 10 2.211 -0.632 -3.530 105 H2' DG 10 H2' GUA 10 3.336 -0.903 -1.449 106 H2'' DG 10 H2'' GUA 10 1.983 0.082 -0.908 107 H1' DG 10 H1' GUA 10 0.718 -1.840 -0.171 108 H8 DG 10 H8 GUA 10 4.544 -2.086 -0.286 109 H1 DG 10 H1 GUA 10 1.772 -4.748 4.859 110 H21 DG 10 H21 GUA 10 -0.413 -4.733 4.632 111 H22 DG 10 H22 GUA 10 -1.205 -4.072 3.218 112 H5' DC 11 H5' CYT 11 -1.425 -0.231 -0.823 113 H5'' DC 11 H5'' CYT 11 -2.364 1.203 -1.292 114 H4' DC 11 H4' CYT 11 -2.801 1.005 0.960 115 H3' DC 11 H3' CYT 11 -0.889 3.116 0.339 116 H2' DC 11 H2' CYT 11 0.352 2.943 2.269 117 H2'' DC 11 H2'' CYT 11 -1.127 3.138 3.199 118 H1' DC 11 H1' CYT 11 -1.418 0.803 3.466 119 H41 DC 11 H41 CYT 11 4.070 -1.307 5.793 120 H42 DC 11 H42 CYT 11 4.983 -0.607 4.475 121 H5 DC 11 H5 CYT 11 3.947 0.619 2.659 122 H6 DC 11 H6 CYT 11 1.829 1.415 1.745 123 H5' DG 12 H5' GUA 12 -3.885 5.559 3.114 124 H5'' DG 12 H5'' GUA 12 -2.514 5.810 4.214 125 H4' DG 12 H4' GUA 12 -5.243 4.721 4.898 126 H3' DG 12 H3' GUA 12 -4.620 7.376 4.721 127 H2' DG 12 H2' GUA 12 -2.954 7.459 6.423 128 H2'' DG 12 H2'' GUA 12 -4.389 7.743 7.398 129 H1' DG 12 H1' GUA 12 -4.563 5.433 8.051 130 H8 DG 12 H8 GUA 12 -1.156 6.935 7.184 131 H1 DG 12 H1 GUA 12 -1.135 2.839 12.130 132 H21 DG 12 H21 GUA 12 -3.091 1.859 12.306 133 H22 DG 12 H22 GUA 12 -4.413 2.201 11.213 134 H5' DG 13 H5' GUA 13 -8.429 5.820 6.280 135 H5'' DG 13 H5'' GUA 13 -9.930 6.734 6.024 136 H4' DG 13 H4' GUA 13 -10.224 5.567 8.032 137 H3' DG 13 H3' GUA 13 -10.446 8.278 8.110 138 H2' DG 13 H2' GUA 13 -8.330 8.774 9.120 139 H2'' DG 13 H2'' GUA 13 -9.310 8.552 10.563 140 H1' DG 13 H1' GUA 13 -8.610 6.253 10.830 141 H8 DG 13 H8 GUA 13 -6.185 8.402 8.713 142 H1 DG 13 H1 GUA 13 -3.553 5.155 13.590 143 H21 DG 13 H21 GUA 13 -5.071 3.909 14.574 144 H22 DG 13 H22 GUA 13 -6.738 3.865 14.042 145 H5' DG 14 H5' GUA 14 -12.568 4.667 9.389 146 H5'' DG 14 H5'' GUA 14 -14.343 4.604 9.348 147 H4' DG 14 H4' GUA 14 -13.704 3.197 11.099 148 H3' DG 14 H3' GUA 14 -15.331 5.298 11.706 149 H2' DG 14 H2' GUA 14 -13.851 6.718 12.847 150 H2'' DG 14 H2'' GUA 14 -14.210 5.636 14.187 151 H1' DG 14 H1' GUA 14 -12.182 4.455 13.953 152 H8 DG 14 H8 GUA 14 -12.136 7.700 11.845 153 H1 DG 14 H1 GUA 14 -7.022 6.709 15.602 154 H21 DG 14 H21 GUA 14 -7.186 4.758 16.600 155 H22 DG 14 H22 GUA 14 -8.548 3.689 16.352 156 H5' DT 15 H5' THY 15 -14.955 3.314 16.779 157 H5'' DT 15 H5'' THY 15 -14.190 3.557 15.195 158 H4' DT 15 H4' THY 15 -15.130 0.915 16.315 159 H3' DT 15 H3' THY 15 -12.552 2.277 16.605 160 H2' DT 15 H2' THY 15 -11.314 0.780 15.367 161 H2'' DT 15 H2'' THY 15 -12.065 -0.566 16.212 162 H1' DT 15 H1' THY 15 -13.636 -0.891 14.506 163 H3 DT 15 H3 THY 15 -10.566 2.132 11.419 164 H71 DT 15 H51 THY 15 -10.941 -2.507 10.057 165 H72 DT 15 H52 THY 15 -12.203 -1.664 9.126 166 H73 DT 15 H53 THY 15 -12.655 -2.755 10.459 167 H6 DT 15 H6 THY 15 -13.065 -1.777 12.533 168 H5' DC 16 H5' CYT 16 -13.066 -3.474 17.557 169 H5'' DC 16 H5'' CYT 16 -13.160 -3.210 19.312 170 H4' DC 16 H4' CYT 16 -11.294 -4.598 18.912 171 H3' DC 16 H3' CYT 16 -10.389 -1.762 19.510 172 H2' DC 16 H2' CYT 16 -8.150 -2.727 19.584 173 H2'' DC 16 H2'' CYT 16 -8.772 -4.372 19.584 174 H1' DC 16 H1' CYT 16 -8.536 -4.180 17.247 175 H41 DC 16 H41 CYT 16 -5.907 1.275 15.292 176 H42 DC 16 H42 CYT 16 -7.495 2.001 15.173 177 H5 DC 16 H5 CYT 16 -9.512 0.881 15.913 178 H6 DC 16 H6 CYT 16 -10.409 -1.154 16.915 179 H5' DC 17 H5' CYT 17 -7.336 -5.443 20.642 180 H5'' DC 17 H5'' CYT 17 -7.663 -5.995 22.298 181 H4' DC 17 H4' CYT 17 -5.402 -5.356 22.226 182 H3' DC 17 H3' CYT 17 -7.059 -4.148 24.052 183 H2' DC 17 H2' CYT 17 -7.192 -1.989 23.057 184 H2'' DC 17 H2'' CYT 17 -5.696 -1.779 23.956 185 H1' DC 17 H1' CYT 17 -4.333 -2.286 22.026 186 H41 DC 17 H41 CYT 17 -5.912 2.368 18.039 187 H42 DC 17 H42 CYT 17 -7.614 2.190 18.399 188 H5 DC 17 H5 CYT 17 -8.469 0.504 19.914 189 H6 DC 17 H6 CYT 17 -7.864 -1.350 21.380 190 H5' DC 18 H5' CYT 18 -2.745 -2.974 23.877 191 H5'' DC 18 H5'' CYT 18 -1.950 -3.304 25.431 192 H4' DC 18 H4' CYT 18 -0.757 -1.517 24.598 193 H3' DC 18 H3' CYT 18 -2.194 -0.989 26.888 194 H2' DC 18 H2' CYT 18 -3.872 0.394 25.878 195 H2'' DC 18 H2'' CYT 18 -2.643 1.607 26.214 196 H1' DC 18 H1' CYT 18 -1.689 1.409 23.968 197 H41 DC 18 H41 CYT 18 -6.429 3.803 20.531 198 H42 DC 18 H42 CYT 18 -7.625 2.867 21.400 199 H5 DC 18 H5 CYT 18 -7.048 1.301 23.157 200 H6 DC 18 H6 CYT 18 -5.211 0.320 24.429 201 H5' DG 19 H5' GUA 19 0.614 2.553 25.261 202 H5'' DG 19 H5'' GUA 19 1.619 2.856 26.695 203 H4' DG 19 H4' GUA 19 1.411 4.923 25.626 204 H3' DG 19 H3' GUA 19 0.481 4.736 28.195 205 HO3' DG 19 HO3' GUA 19 0.499 7.144 26.709 206 H2' DG 19 H2' GUA 19 -1.861 4.758 27.679 207 H2'' DG 19 H2'' GUA 19 -1.562 6.485 27.811 208 H1' DG 19 H1' GUA 19 -1.217 6.717 25.404 209 H8 DG 19 H8 GUA 19 -3.460 3.790 26.564 210 H1 DG 19 H1 GUA 19 -5.864 7.487 21.894 211 H21 DG 19 H21 GUA 19 -4.378 8.980 21.271 212 H22 DG 19 H22 GUA 19 -2.789 9.079 21.996 213 HD1 B2U 101 HD1 OTA 20 -5.631 -3.727 13.474 214 HE1 B2U 101 HE1 OTA 20 -7.582 -4.944 14.401 215 HZ B2U 101 HZ OTA 20 -9.839 -3.920 14.311 216 HE2 B2U 101 HE2 OTA 20 -10.143 -1.675 13.304 217 HD2 B2U 101 HD2 OTA 20 -8.191 -0.458 12.377 218 HB1 B2U 101 HB1 OTA 20 -4.914 -1.274 13.055 219 HB2 B2U 101 HB2 OTA 20 -6.010 -0.358 11.995 220 HAM B2U 101 HAM OTA 20 -5.963 -2.817 10.748 221 H B2U 101 H OTA 20 -5.278 -0.297 10.003 222 HAB B2U 101 HAB OTA 20 -1.766 -1.068 10.513 223 HAH B2U 101 HAH OTA 20 0.392 2.620 8.678 224 HAG B2U 101 HAG OTA 20 0.961 1.495 7.424 225 HAI B2U 101 HAI OTA 20 -1.082 3.725 7.132 226 HA2 B2U 101 HA2 OTA 20 1.243 3.297 5.295 227 HA3 B2U 101 HA3 OTA 20 0.536 4.814 5.902 228 HA1 B2U 101 HA1 OTA 20 1.618 3.856 6.942 Start of MODEL 10 1 H5' DC 1 H5' CYT 1 -9.074 13.771 17.082 2 H5'' DC 1 H5'' CYT 1 -8.939 12.839 15.581 3 H4' DC 1 H4' CYT 1 -6.831 13.672 16.932 4 H3' DC 1 H3' CYT 1 -7.111 11.924 14.857 5 H2' DC 1 H2' CYT 1 -7.098 9.866 15.990 6 H2'' DC 1 H2'' CYT 1 -5.358 10.124 15.962 7 H1' DC 1 H1' CYT 1 -5.303 10.864 18.209 8 H41 DC 1 H41 CYT 1 -8.062 6.182 21.440 9 H42 DC 1 H42 CYT 1 -9.495 6.236 20.439 10 H5 DC 1 H5 CYT 1 -9.768 7.808 18.614 11 H6 DC 1 H6 CYT 1 -8.721 9.636 17.385 12 HO5' DC 1 HO5' CYT 1 -10.382 12.066 17.385 13 H5' DG 2 H5' GUA 2 -2.805 12.045 16.847 14 H5'' DG 2 H5'' GUA 2 -1.784 12.526 15.477 15 H4' DG 2 H4' GUA 2 -0.465 11.154 16.857 16 H3' DG 2 H3' GUA 2 -0.813 10.433 14.238 17 H2' DG 2 H2' GUA 2 -2.238 8.562 14.531 18 H2'' DG 2 H2'' GUA 2 -0.694 7.761 14.795 19 H1' DG 2 H1' GUA 2 -0.885 7.895 17.181 20 H8 DG 2 H8 GUA 2 -4.236 8.254 15.292 21 H1 DG 2 H1 GUA 2 -4.187 4.044 20.140 22 H21 DG 2 H21 GUA 2 -2.253 4.111 21.177 23 H22 DG 2 H22 GUA 2 -0.963 5.186 20.687 24 H5' DG 3 H5' GUA 3 1.904 7.983 16.983 25 H5'' DG 3 H5'' GUA 3 3.527 7.999 16.261 26 H4' DG 3 H4' GUA 3 3.461 6.037 17.493 27 H3' DG 3 H3' GUA 3 3.799 5.751 14.785 28 H2' DG 3 H2' GUA 3 1.633 4.901 14.253 29 H2'' DG 3 H2'' GUA 3 2.437 3.397 14.678 30 H1' DG 3 H1' GUA 3 1.602 3.451 16.946 31 H8 DG 3 H8 GUA 3 -0.461 5.440 14.354 32 H1 DG 3 H1 GUA 3 -3.783 1.412 18.091 33 H21 DG 3 H21 GUA 3 -2.460 0.513 19.593 34 H22 DG 3 H22 GUA 3 -0.755 0.892 19.688 35 H5' DG 4 H5' GUA 4 3.634 2.134 17.400 36 H5'' DG 4 H5'' GUA 4 5.127 1.179 17.277 37 H4' DG 4 H4' GUA 4 3.514 -0.395 17.775 38 H3' DG 4 H3' GUA 4 4.707 -0.677 15.309 39 H2' DG 4 H2' GUA 4 2.808 0.116 14.035 40 H2'' DG 4 H2'' GUA 4 2.482 -1.611 14.090 41 H1' DG 4 H1' GUA 4 1.116 -1.376 16.137 42 H8 DG 4 H8 GUA 4 1.178 1.564 13.628 43 H1 DG 4 H1 GUA 4 -4.636 -0.445 15.466 44 H21 DG 4 H21 GUA 4 -4.444 -2.008 16.997 45 H22 DG 4 H22 GUA 4 -2.891 -2.567 17.576 46 H5' DG 5 H5' GUA 5 1.637 -3.914 15.953 47 H5'' DG 5 H5'' GUA 5 2.279 -5.527 15.576 48 H4' DG 5 H4' GUA 5 0.051 -5.251 14.680 49 H3' DG 5 H3' GUA 5 2.236 -5.484 12.594 50 H2' DG 5 H2' GUA 5 0.372 -5.626 10.976 51 H2'' DG 5 H2'' GUA 5 -0.826 -5.695 12.261 52 H1' DG 5 H1' GUA 5 -0.741 -3.325 11.910 53 H8 DG 5 H8 GUA 5 2.963 -3.135 12.618 54 H1 DG 5 H1 GUA 5 1.320 -1.330 6.679 55 H21 DG 5 H21 GUA 5 -0.782 -1.826 6.294 56 H22 DG 5 H22 GUA 5 -1.797 -2.601 7.489 57 H5' DC 6 H5' CYT 6 -2.469 -6.829 11.690 58 H5'' DC 6 H5'' CYT 6 -2.700 -8.553 12.051 59 H4' DC 6 H4' CYT 6 -3.297 -8.107 9.769 60 H3' DC 6 H3' CYT 6 -1.615 -10.163 10.437 61 H2' DC 6 H2' CYT 6 0.427 -9.140 9.705 62 H2'' DC 6 H2'' CYT 6 -0.080 -9.923 8.215 63 H1' DC 6 H1' CYT 6 -1.163 -7.898 7.391 64 H41 DC 6 H41 CYT 6 3.886 -4.189 6.542 65 H42 DC 6 H42 CYT 6 4.555 -4.626 8.099 66 H5 DC 6 H5 CYT 6 3.425 -6.106 9.648 67 H6 DC 6 H6 CYT 6 1.438 -7.475 10.007 68 H5' DG 7 H5' GUA 7 -2.191 -9.463 6.129 69 H5'' DG 7 H5'' GUA 7 -2.745 -10.879 5.209 70 H4' DG 7 H4' GUA 7 -1.235 -9.599 3.871 71 H3' DG 7 H3' GUA 7 -0.904 -12.302 4.179 72 H2' DG 7 H2' GUA 7 0.943 -12.193 5.740 73 H2'' DG 7 H2'' GUA 7 1.807 -12.231 4.210 74 H1' DG 7 H1' GUA 7 1.940 -9.799 4.115 75 H8 DG 7 H8 GUA 7 1.784 -11.506 7.569 76 H1 DG 7 H1 GUA 7 6.370 -7.069 6.860 77 H21 DG 7 H21 GUA 7 6.175 -6.087 4.908 78 H22 DG 7 H22 GUA 7 4.919 -6.512 3.766 79 H5' DA 8 H5' ADE 8 -0.306 -10.132 0.498 80 H5'' DA 8 H5'' ADE 8 -0.462 -10.894 -1.099 81 H4' DA 8 H4' ADE 8 1.087 -9.119 -1.298 82 H3' DA 8 H3' ADE 8 1.803 -11.617 -2.104 83 H2' DA 8 H2' ADE 8 3.266 -12.226 -0.331 84 H2'' DA 8 H2'' ADE 8 4.411 -11.352 -1.338 85 H1' DA 8 H1' ADE 8 4.221 -9.357 -0.054 86 H8 DA 8 H8 ADE 8 2.665 -12.277 1.995 87 H61 DA 8 H61 ADE 8 6.982 -10.893 6.214 88 H62 DA 8 H62 ADE 8 5.655 -11.961 5.817 89 H2 DA 8 H2 ADE 8 7.406 -8.024 2.794 90 H5' DA 9 H5' ADE 9 6.280 -8.571 -4.298 91 H5'' DA 9 H5'' ADE 9 6.595 -8.151 -2.599 92 H4' DA 9 H4' ADE 9 4.203 -7.606 -4.305 93 H3' DA 9 H3' ADE 9 6.202 -5.927 -3.468 94 H2' DA 9 H2' ADE 9 5.626 -5.944 -1.123 95 H2'' DA 9 H2'' ADE 9 4.655 -4.591 -1.688 96 H1' DA 9 H1' ADE 9 2.694 -6.021 -2.052 97 H8 DA 9 H8 ADE 9 5.189 -6.983 0.737 98 H61 DA 9 H61 ADE 9 0.181 -7.569 4.333 99 H62 DA 9 H62 ADE 9 1.930 -7.611 4.290 100 H2 DA 9 H2 ADE 9 -1.199 -6.685 0.159 101 H5' DG 10 H5' GUA 10 1.966 -4.502 -3.507 102 H5'' DG 10 H5'' GUA 10 1.823 -3.191 -4.698 103 H4' DG 10 H4' GUA 10 0.110 -2.838 -3.139 104 H3' DG 10 H3' GUA 10 1.954 -0.848 -3.485 105 H2' DG 10 H2' GUA 10 3.139 -1.080 -1.436 106 H2'' DG 10 H2'' GUA 10 1.833 -0.040 -0.885 107 H1' DG 10 H1' GUA 10 0.539 -1.897 -0.042 108 H8 DG 10 H8 GUA 10 4.350 -2.267 -0.269 109 H1 DG 10 H1 GUA 10 1.663 -4.672 5.044 110 H21 DG 10 H21 GUA 10 -0.525 -4.591 4.885 111 H22 DG 10 H22 GUA 10 -1.340 -3.947 3.478 112 H5' DC 11 H5' CYT 11 -1.634 -0.226 -0.711 113 H5'' DC 11 H5'' CYT 11 -2.519 1.222 -1.232 114 H4' DC 11 H4' CYT 11 -2.948 1.146 1.025 115 H3' DC 11 H3' CYT 11 -0.961 3.143 0.302 116 H2' DC 11 H2' CYT 11 0.334 2.972 2.195 117 H2'' DC 11 H2'' CYT 11 -1.103 3.286 3.157 118 H1' DC 11 H1' CYT 11 -1.504 0.989 3.542 119 H41 DC 11 H41 CYT 11 3.951 -1.280 5.796 120 H42 DC 11 H42 CYT 11 4.852 -0.690 4.418 121 H5 DC 11 H5 CYT 11 3.814 0.490 2.574 122 H6 DC 11 H6 CYT 11 1.707 1.346 1.688 123 H5' DG 12 H5' GUA 12 -3.763 5.782 3.153 124 H5'' DG 12 H5'' GUA 12 -2.339 5.983 4.195 125 H4' DG 12 H4' GUA 12 -5.063 4.972 5.008 126 H3' DG 12 H3' GUA 12 -4.424 7.605 4.750 127 H2' DG 12 H2' GUA 12 -2.646 7.680 6.353 128 H2'' DG 12 H2'' GUA 12 -4.017 8.040 7.392 129 H1' DG 12 H1' GUA 12 -4.232 5.736 8.110 130 H8 DG 12 H8 GUA 12 -0.823 7.119 7.066 131 H1 DG 12 H1 GUA 12 -0.725 3.109 12.081 132 H21 DG 12 H21 GUA 12 -2.707 2.207 12.362 133 H22 DG 12 H22 GUA 12 -4.064 2.581 11.323 134 H5' DG 13 H5' GUA 13 -8.246 5.993 6.170 135 H5'' DG 13 H5'' GUA 13 -9.755 6.896 5.918 136 H4' DG 13 H4' GUA 13 -10.057 5.676 7.891 137 H3' DG 13 H3' GUA 13 -10.339 8.381 8.023 138 H2' DG 13 H2' GUA 13 -8.243 8.905 9.051 139 H2'' DG 13 H2'' GUA 13 -9.228 8.643 10.483 140 H1' DG 13 H1' GUA 13 -8.487 6.369 10.732 141 H8 DG 13 H8 GUA 13 -6.111 8.618 8.671 142 H1 DG 13 H1 GUA 13 -3.404 5.345 13.488 143 H21 DG 13 H21 GUA 13 -4.885 4.028 14.431 144 H22 DG 13 H22 GUA 13 -6.546 3.943 13.888 145 H5' DG 14 H5' GUA 14 -12.365 4.703 9.148 146 H5'' DG 14 H5'' GUA 14 -14.137 4.584 9.091 147 H4' DG 14 H4' GUA 14 -13.468 3.138 10.796 148 H3' DG 14 H3' GUA 14 -15.158 5.170 11.466 149 H2' DG 14 H2' GUA 14 -13.723 6.588 12.665 150 H2'' DG 14 H2'' GUA 14 -14.062 5.452 13.964 151 H1' DG 14 H1' GUA 14 -12.004 4.334 13.704 152 H8 DG 14 H8 GUA 14 -12.019 7.639 11.688 153 H1 DG 14 H1 GUA 14 -6.956 6.697 15.525 154 H21 DG 14 H21 GUA 14 -7.082 4.718 16.468 155 H22 DG 14 H22 GUA 14 -8.409 3.618 16.163 156 H5' DT 15 H5' THY 15 -14.774 3.009 16.461 157 H5'' DT 15 H5'' THY 15 -13.999 3.306 14.890 158 H4' DT 15 H4' THY 15 -14.907 0.629 15.952 159 H3' DT 15 H3' THY 15 -12.335 2.005 16.210 160 H2' DT 15 H2' THY 15 -11.109 0.535 14.926 161 H2'' DT 15 H2'' THY 15 -11.843 -0.830 15.756 162 H1' DT 15 H1' THY 15 -13.436 -1.126 14.064 163 H3 DT 15 H3 THY 15 -10.621 2.076 10.917 164 H71 DT 15 H51 THY 15 -10.836 -2.053 8.952 165 H72 DT 15 H52 THY 15 -12.570 -2.334 9.239 166 H73 DT 15 H53 THY 15 -11.356 -3.125 10.272 167 H6 DT 15 H6 THY 15 -12.726 -2.026 12.143 168 H5' DC 16 H5' CYT 16 -12.785 -3.765 17.064 169 H5'' DC 16 H5'' CYT 16 -12.884 -3.536 18.823 170 H4' DC 16 H4' CYT 16 -11.009 -4.904 18.400 171 H3' DC 16 H3' CYT 16 -10.127 -2.077 19.064 172 H2' DC 16 H2' CYT 16 -7.879 -3.028 19.125 173 H2'' DC 16 H2'' CYT 16 -8.489 -4.676 19.067 174 H1' DC 16 H1' CYT 16 -8.234 -4.392 16.740 175 H41 DC 16 H41 CYT 16 -5.752 1.201 14.991 176 H42 DC 16 H42 CYT 16 -7.359 1.885 14.890 177 H5 DC 16 H5 CYT 16 -9.347 0.684 15.581 178 H6 DC 16 H6 CYT 16 -10.190 -1.410 16.507 179 H5' DC 17 H5' CYT 17 -7.051 -5.754 20.100 180 H5'' DC 17 H5'' CYT 17 -7.349 -6.337 21.752 181 H4' DC 17 H4' CYT 17 -5.081 -5.658 21.625 182 H3' DC 17 H3' CYT 17 -6.712 -4.568 23.543 183 H2' DC 17 H2' CYT 17 -6.917 -2.358 22.612 184 H2'' DC 17 H2'' CYT 17 -5.414 -2.147 23.497 185 H1' DC 17 H1' CYT 17 -4.081 -2.577 21.507 186 H41 DC 17 H41 CYT 17 -5.773 2.221 17.760 187 H42 DC 17 H42 CYT 17 -7.470 1.998 18.124 188 H5 DC 17 H5 CYT 17 -8.286 0.229 19.564 189 H6 DC 17 H6 CYT 17 -7.639 -1.676 20.944 190 H5' DC 18 H5' CYT 18 -2.192 -3.215 23.503 191 H5'' DC 18 H5'' CYT 18 -1.626 -3.495 25.164 192 H4' DC 18 H4' CYT 18 -0.467 -1.612 24.398 193 H3' DC 18 H3' CYT 18 -2.055 -1.323 26.630 194 H2' DC 18 H2' CYT 18 -3.773 -0.004 25.603 195 H2'' DC 18 H2'' CYT 18 -2.655 1.270 26.073 196 H1' DC 18 H1' CYT 18 -1.570 1.268 23.877 197 H41 DC 18 H41 CYT 18 -6.281 3.541 20.321 198 H42 DC 18 H42 CYT 18 -7.458 2.504 21.096 199 H5 DC 18 H5 CYT 18 -6.867 0.891 22.805 200 H6 DC 18 H6 CYT 18 -5.033 -0.046 24.113 201 H5' DG 19 H5' GUA 19 0.582 2.486 25.350 202 H5'' DG 19 H5'' GUA 19 1.472 2.787 26.857 203 H4' DG 19 H4' GUA 19 1.178 4.885 25.875 204 H3' DG 19 H3' GUA 19 0.105 4.500 28.366 205 HO3' DG 19 HO3' GUA 19 1.316 6.246 28.059 206 H2' DG 19 H2' GUA 19 -2.193 4.377 27.696 207 H2'' DG 19 H2'' GUA 19 -2.035 6.112 27.929 208 H1' DG 19 H1' GUA 19 -1.555 6.496 25.567 209 H8 DG 19 H8 GUA 19 -3.649 3.373 26.446 210 H1 DG 19 H1 GUA 19 -6.002 7.101 21.777 211 H21 DG 19 H21 GUA 19 -4.590 8.717 21.318 212 H22 DG 19 H22 GUA 19 -3.062 8.893 22.152 213 HD1 B2U 101 HD1 OTA 20 -5.603 -4.396 13.665 214 HE1 B2U 101 HE1 OTA 20 -7.730 -5.355 14.508 215 HZ B2U 101 HZ OTA 20 -9.865 -4.146 14.145 216 HE2 B2U 101 HE2 OTA 20 -9.873 -1.979 12.939 217 HD2 B2U 101 HD2 OTA 20 -7.747 -1.020 12.097 218 HB1 B2U 101 HB1 OTA 20 -5.364 -1.033 12.489 219 HB2 B2U 101 HB2 OTA 20 -4.519 -2.542 12.907 220 HAM B2U 101 HAM OTA 20 -6.136 -2.212 10.349 221 H B2U 101 H OTA 20 -3.242 -2.083 10.091 222 HAB B2U 101 HAB OTA 20 -1.874 -0.246 11.174 223 HAH B2U 101 HAH OTA 20 1.000 1.494 7.656 224 HAG B2U 101 HAG OTA 20 0.603 2.830 8.761 225 HAI B2U 101 HAI OTA 20 -0.783 3.893 7.121 226 HA2 B2U 101 HA2 OTA 20 1.439 2.851 5.365 227 HA3 B2U 101 HA3 OTA 20 1.855 3.772 6.830 228 HA1 B2U 101 HA1 OTA 20 0.846 4.517 5.567
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