2.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- 1a G 1.520 1.525 1.525 1.455 1.421 2a A 1.520 1.525 1.525 1.456 1.419 3a A 1.520 1.525 1.525 1.455 1.420 4a G 1.520 1.525 1.525 1.455 1.419 5a A 1.520 1.525 1.526* 1.454 1.420 6a A 1.520 1.525 1.525 1.454 1.420 7a G 1.519 1.525 1.525 1.455 1.420 8a A 1.520 1.525 1.525 1.455 1.420 9a A 1.519 1.525 1.525 1.455 1.420 10a G 1.520 1.525 1.525 1.455 1.420 11a A 1.520 1.526* 1.525 1.455 1.420 12a A 1.520 1.525 1.525 1.455 1.420 13a T 1.520 1.526* 1.524* 1.455 1.420 14a T 1.520 1.525 1.525 1.455 1.420 15a C 1.519 1.525 1.525 1.455 1.420 16a T 1.520 1.524* 1.525 1.455 1.420 17a T 1.520 1.524* 1.526* 1.454 1.420 18a C 1.520 1.525 1.525 1.455 1.420 19a T 1.520 1.525 1.525 1.454 1.420 20a T 1.520 1.525 1.525 1.454 1.420 21a C 1.520 1.525 1.524* 1.456 1.420 22a T 1.520 1.525 1.525 1.456 1.420 23a T 1.520 1.525 1.525 1.455 1.420 24a C 1.520 1.525 1.525 1.455 1.420 --------------------------------------------------------- MEANS: 1.520 1.525 1.525 1.455 1.420 STAND DEV 0.001 0.000 0.000 0.000 0.000 SAMPLE SIZE 24 24 24 24 24 --------------------------------------------------------- 12.DAT CALCULATIONS OF SUGAR BOND LENGTHS B#/CHN RES C1*-C2* C2*-C3* C3*-C4* C4*-O4* O4*-C1* --------------------------------------------------------- ***** 1a G 2a A 3a A 4a G 5a A * 6a A 7a G 8a A 9a A 10a G 11a A * 12a A 13a T ** 14a T 15a C 16a T * 17a T ** 18a C 19a T 20a T 21a C * 22a T 23a T 24a C --------------------------------------------------------- 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(3) BOND LENGTHS B#/CHN RES P-O5* O5*-C5* C5*-C4* C4*-C3* C3*-O3* O3*-P O4*-C1* C1*-N1/9 N1/9-C6/8 --------------------------------------------------------------------------------------------- 1a G 0.000 1.440 1.509 1.525 1.431 1.600 1.421 1.460 1.330* 2a A 1.600 1.440 1.510 1.525 1.430 1.599 1.419 1.459 1.361 3a A 1.599 1.440 1.510 1.525 1.430 1.600 1.420 1.461 1.360 4a G 1.599 1.440 1.510 1.525 1.431 1.599 1.419 1.461 1.331* 5a A 1.600 1.441* 1.509 1.526* 1.431 1.600 1.420 1.460 1.359 6a A 1.600 1.439* 1.511 1.525 1.430 1.601 1.420 1.460 1.360 7a G 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.461 1.330* 8a A 1.600 1.441* 1.510 1.525 1.430 1.600 1.420 1.461 1.360 9a A 1.601 1.440 1.510 1.525 1.431 1.600 1.420 1.460 1.360 10a G 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.330* 11a A 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.359 12a A 1.600 1.439* 1.509 1.525 1.430 0.000 1.420 1.460 1.360 13a T 0.000 1.440 1.510 1.524* 1.430 1.600 1.420 1.459 1.366 14a T 1.600 1.440 1.510 1.525 1.430 1.599 1.420 1.459 1.366 15a C 1.599 1.441* 1.510 1.525 1.430 1.600 1.420 1.460 1.361 16a T 1.599 1.440 1.510 1.525 1.429 1.600 1.420 1.460 1.365 17a T 1.600 1.440 1.510 1.526* 1.430 1.600 1.420 1.460 1.366 18a C 1.599 1.440 1.509 1.525 1.430 1.600 1.420 1.460 1.361 19a T 1.600 1.440 1.510 1.525 1.431 1.600 1.420 1.460 1.366 20a T 1.601 1.440 1.510 1.525 1.430 1.599 1.420 1.460 1.365 21a C 1.601 1.440 1.510 1.524* 1.430 1.599 1.420 1.461 1.361 22a T 1.600 1.440 1.510 1.525 1.430 1.599 1.420 1.461 1.366 23a T 1.600 1.440 1.509 1.525 1.430 1.600 1.420 1.459 1.366 24a C 1.601 1.440 1.510 1.525 1.430 0.000 1.420 1.460 1.360 --------------------------------------------------------------------------------------------- MEANS: 1.600 1.440 1.510 1.525 1.430 1.600 1.420 1.460 1.357 STAND DEV 0.000 0.000 0.001 0.000 0.000 0.000 0.000 0.000 0.012 SAMPLE SIZE 22 24 24 24 24 22 24 24 24 --------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(3) BOND LENGTHS B#/CHN RES P-O5* O5*-C5* C5*-C4* C4*-C3* C3*-O3* O3*-P O4*-C1* C1*-N1/9 N1/9-C6/8 --------------------------------------------------------------------------------------------- ********* 1a G * 2a A 3a A 4a G * 5a A * * 6a A * 7a G * 8a A * 9a A 10a G * 11a A 12a A * 13a T * 14a T 15a C * 16a T 17a T * 18a C 19a T 20a T 21a C * 22a T 23a T 24a C --------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PURINE BOND LENGTHS B#/CHN RES C1*-N9 N9-C8 C8-N7 N7-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 C4-N9 --------------------------------------------------------------------------------------------------------------- 1a G 1.460 1.330 1.330 1.380 1.371 1.335 1.320 1.361 1.390 1.420 1.380 2a A 1.459 1.361 1.329 1.380 1.380 1.351 1.300 1.370 1.359 1.409 1.388 3a A 1.461 1.360 1.330 1.379 1.380 1.350 1.300 1.371 1.359 1.410 1.388 4a G 1.461 1.331 1.330 1.379 1.370 1.334 1.320 1.359 1.391 1.420 1.380 5a A 1.460 1.359 1.330 1.379 1.380 1.350 1.299 1.370 1.360 1.410 1.387 6a A 1.460 1.360 1.330 1.381* 1.381 1.349 1.300 1.370 1.360 1.409 1.387 7a G 1.461 1.330 1.330 1.380 1.370 1.335 1.320 1.360 1.390 1.420 1.380 8a A 1.461 1.360 1.330 1.380 1.380 1.350 1.300 1.370 1.360 1.409 1.387 9a A 1.460 1.360 1.330 1.380 1.380 1.350 1.300 1.370 1.360 1.409 1.388 10a G 1.460 1.330 1.330 1.380 1.370 1.335 1.320 1.361 1.390 1.419 1.381 11a A 1.460 1.359 1.330 1.379 1.380 1.350 1.300 1.370 1.361 1.409 1.387 12a A 1.460 1.360 1.330 1.380 1.380 1.350 1.300 1.370 1.359 1.409 1.387 --------------------------------------------------------------------------------------------------------------- MEANS: 1.460 1.350 1.330 1.380 1.377 1.345 1.307 1.367 1.370 1.413 1.385 STAND DEV 0.000 0.014 0.001 0.001 0.005 0.007 0.009 0.005 0.014 0.005 0.003 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PURINE BOND LENGTHS B#/CHN RES C1*-N9 N9-C8 C8-N7 N7-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 C4-N9 --------------------------------------------------------------------------------------------------------------- *********** 1a G 2a A 3a A 4a G 5a A 6a A * 7a G 8a A 9a A 10a G 11a A 12a A --------------------------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PYRIMIDINE BOND LENGTHS B#/CHN RES C1*-N1 N1-C2 C2-N3 N3-C4 C4-C5 C5-C6 C6-N1 FOR PSU C1*-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 --------------------------------------------------------------------------- 13a T 1.459 1.380 1.380 1.380 1.430 1.340 1.366 14a T 1.459 1.380 1.380 1.380 1.430 1.340 1.366 15a C 1.460 1.371 1.310 1.370 1.430 1.350 1.361 16a T 1.460 1.382 1.380 1.380 1.430 1.340 1.365 17a T 1.460 1.380 1.380 1.380 1.431 1.340 1.366 18a C 1.460 1.372 1.309 1.370 1.430 1.350 1.361 19a T 1.460 1.380 1.380 1.381 1.430 1.341 1.366 20a T 1.460 1.381 1.380 1.380 1.430 1.339 1.365 21a C 1.461 1.371 1.311 1.371 1.430 1.351 1.361 22a T 1.461 1.381 1.380 1.381 1.430 1.340 1.366 23a T 1.459 1.381 1.379 1.380 1.429 1.340 1.366 24a C 1.460 1.371 1.310 1.370 1.430 1.351 1.360 --------------------------------------------------------------------------- MEANS: 1.460 1.378 1.357 1.377 1.430 1.344 1.364 STAND DEV 0.000 0.004 0.033 0.005 0.000 0.005 0.002 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PYRIMIDINE BOND LENGTHS B#/CHN RES C1*-N1 N1-C2 C2-N3 N3-C4 C4-C5 C5-C6 C6-N1 FOR PSU C1*-C5 C5-C4 C4-N3 N3-C2 C2-N1 N1-C6 C6-C5 --------------------------------------------------------------------------- ******* 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a T 21a C 22a T 23a T 24a C --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ 1a G 101.980 101.754* 105.102* 110.509* 105.444* 109.199* 2a A 101.867 102.808 105.805 110.128 104.408 108.966 3a A 101.846 102.614 105.817 110.146 104.494 108.970 4a G 101.839 102.670 105.816 110.145 104.494 108.994 5a A 101.834 102.325 105.606 110.380 104.767 109.102 6a A 101.851 102.715 105.826 110.185 104.407 108.949 7a G 101.886 103.033 105.839 110.041 104.303 108.981 8a A 101.915 103.230 105.893 109.962 104.197 108.921 9a A 101.872 102.757 105.807 110.165 104.431 108.992 10a G 101.873 102.684 105.843 110.127 104.458 108.991 11a A 101.847 102.557 105.803 110.184 104.506 108.922 12a A 101.890 102.096 105.366* 110.500* 104.997 109.114* 13a T 101.865 102.692 105.837 110.173 104.435 108.940 14a T 102.029 103.455 105.880 109.942 104.050 108.956 15a C 101.871 102.880 105.831 110.078 104.391 108.981 16a T 101.973 103.262 105.869 109.986 104.122 108.968 17a T 101.910 103.129 105.830 110.079 104.218 108.985 18a C 101.881 103.075 105.855 110.037 104.277 108.995 19a T 102.035 103.409 105.900 109.923 104.075 108.963 20a T 101.927 103.034 105.846 110.090 104.210 108.973 21a C 101.829 102.668 105.809 110.133 104.481 108.931 22a T 102.400* 103.922* 105.964 109.542* 103.790 108.924 23a T 102.177 103.660 105.933 109.790 103.900 108.927 24a C 101.890 103.169 105.857 110.023 104.203 108.927 ------------------------------------------------------------------ MEANS: 101.929 102.900 105.789 110.095 104.377 108.982 STAND DEV 0.135 0.474 0.177 0.201 0.335 0.063 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 12.DAT CALCULATIONS OF SUGAR VALENCE ANGLES B#/CHN RES C1C2*C3 C2C3*C4 C3C4*O4 C4O4*C1 O4C1*C2 C5C4*O4 ------------------------------------------------------------------ ****** 1a G ***** 2a A 3a A 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A 12a A ** * 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a T 21a C 22a T ** * 23a T 24a C ------------------------------------------------------------------ 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(2) VALENCE ANGLES B#/CHN RES O3*PO5* PO5*C5* O5C5*C4 C5C4*C3 C4C3*O3 C3*O3*P O4C1N1 O4C1N9 C1N1C6 C1N9C8 ------------------------------------------------------------------------------------------------------ 1a G 0.000 0.000 110.031 115.612 109.093* 121.275 0.000 107.924* 0.000 127.080 2a A 101.404 121.201 110.004 115.433 108.857 121.323 0.000 108.210 0.000 128.520 3a A 101.430 121.180 109.987 115.494 108.918 121.286 0.000 108.194 0.000 128.479 4a G 101.389 121.224 109.984 115.495 108.910 121.273 0.000 108.207 0.000 127.063 5a A 101.423 121.196 109.982 115.488 108.957 121.269 0.000 108.175 0.000 128.485 6a A 101.374 121.191 109.997 115.429 108.882 121.293 0.000 108.243 0.000 128.474 7a G 101.371 121.176 109.972 115.481 108.874 121.312 0.000 108.238 0.000 127.065 8a A 101.405 121.185 110.008 115.460 108.784 121.292 0.000 108.235 0.000 128.509 9a A 101.406 121.172 109.984 115.447 108.877 121.267 0.000 108.210 0.000 128.507 10a G 101.372 121.212 109.983 115.478 108.922 121.300 0.000 108.232 0.000 127.125 11a A 101.404 121.232 110.035 115.493 108.938 121.285 0.000 108.190 0.000 128.494 12a A 101.403 121.250 110.035 115.589 109.047 0.000 0.000 108.050 0.000 128.511 13a T 0.000 0.000 109.993 115.467 108.904 121.299 108.240 0.000 120.405 0.000 14a T 101.425 121.203 110.008 115.437 108.745 121.284 108.350* 0.000 120.403 0.000 15a C 101.437 121.149 109.967 115.502 108.881 121.296 108.237 0.000 119.451 0.000 16a T 101.443 121.194 110.004 115.472 108.819 121.323 108.268 0.000 120.422 0.000 17a T 101.424 121.213 110.013 115.428 108.778 121.298 108.267 0.000 120.408 0.000 18a C 101.429 121.215 110.006 115.467 108.877 121.314 108.261 0.000 119.473 0.000 19a T 101.400 121.229 109.993 115.430 108.728 121.269 108.321 0.000 120.357 0.000 20a T 101.363 121.175 109.974 115.461 108.854 121.308 108.244 0.000 120.450 0.000 21a C 101.394 121.184 109.995 115.487 108.929 121.343 108.195* 0.000 119.464 0.000 22a T 101.414 121.135 109.982 115.416 108.637* 121.279 108.350* 0.000 120.413 0.000 23a T 101.391 121.228 110.034 115.418 108.734 121.359 108.357* 0.000 120.408 0.000 24a C 101.412 121.167 109.980 115.456 108.805 0.000 108.238 0.000 119.471 0.000 ------------------------------------------------------------------------------------------------------ MEANS: 101.405 121.196 109.998 115.473 108.865 121.298 108.277 108.176 120.094 128.026 STAND DEV 0.000 0.000 0.000 0.000 0.108 0.000 0.036 0.072 0.449 0.667 SAMPLE SIZE 22 22 24 24 24 22 12 12 12 12 ------------------------------------------------------------------------------------------------------ 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(2) VALENCE ANGLES B#/CHN RES O3*PO5* PO5*C5* O5C5*C4 C5C4*C3 C4C3*O3 C3*O3*P O4C1N1 O4C1N9 C1N1C6 C1N9C8 ------------------------------------------------------------------------------------------------------ ********** 1a G * * 2a A 3a A 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A 12a A 13a T 14a T * 15a C 16a T 17a T 18a C 19a T 20a T 21a C * 22a T * * 23a T * 24a C ------------------------------------------------------------------------------------------------------ 12.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- 1a G 127.080 124.975 110.003 124.970 107.994 106.984 133.614 112.947 123.269 125.618 110.807 2a A 128.520 125.065 113.094 126.928 104.049 111.171 132.131 110.653 129.133 118.608 117.108 3a A 128.479 125.046 113.037 126.921 104.044 111.225 132.115 110.662 129.082 118.632 117.103 4a G 127.063 125.014 109.944 124.930 108.036 107.014 133.592 112.922 123.325 125.592 110.781 5a A 128.485 125.057 113.096 126.973 103.997 111.219 132.095 110.747 129.053 118.642 117.075 6a A 128.474 125.043 113.104 126.990 103.987 111.185 132.117 110.740 129.091 118.579 117.123 7a G 127.065 124.973 109.973 124.985 107.994 106.995 133.591 112.939 123.281 125.629 110.798 8a A 128.509 125.039 113.131 126.953 103.961 111.226 132.084 110.701 129.112 118.573 117.108 9a A 128.507 125.041 113.110 126.974 103.995 111.208 132.096 110.703 129.109 118.582 117.118 10a G 127.125 124.976 110.019 124.936 107.988 107.009 133.614 112.932 123.272 125.587 110.853 11a A 128.494 125.040 113.091 126.955 103.995 111.195 132.100 110.711 129.106 118.576 117.110 12a A 128.511 125.037 113.120 126.957 103.957 111.217 132.103 110.698 129.117 118.555 117.160 --------------------------------------------------------------------------------------------------------------- MEANS: 128.026 125.026 112.060 126.289 105.333 109.804 132.604 111.446 127.162 120.931 115.012 STAND DEV 0.667 0.000 1.468 0.943 1.888 1.982 0.705 1.053 2.741 3.305 2.971 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 --------------------------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PURINE VALENCE ANGLES B#/CHN RES C1*N9C8 C1*N9C4 N9C8N7 N9C4N3 C8N7C5 N7C5C4 N7C5C6 C4N3C2 N3C2N1 C2N1C6 N1C6C5 --------------------------------------------------------------------------------------------------------------- *********** 1a G 2a A 3a A 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A 12a A --------------------------------------------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PYRIMIDINE VALENCE ANGLES B#/CHN RES C1*N1C2 N1C2N3 C2N3C4 N3C4C5 C4C5C6 C5C6N1 C6N1C1* FOR PSU C1*C5C4 C5C4N3 C4N3C2 N3C2N1 C2N1C6 N1C6C5 C6C5C1* --------------------------------------------------------------------------- 13a T 118.784 115.200 126.049 115.742 118.459 123.738 59.595 14a T 118.743 115.163 126.090 115.698 118.516 123.680 59.597 15a C 120.539 121.893 118.918 121.397 116.390 121.392 60.549 16a T 118.688 115.076 126.126 115.689 118.505 123.713 59.578 17a T 118.708 115.124 126.117 115.668 118.498 123.708 59.592 18a C 120.534 121.884 118.968 121.362 116.425 121.367 60.527 19a T 118.732 115.135 126.087 115.675 118.513 123.679 59.643 20a T 118.682 115.115 126.106 115.663 118.525 123.722 59.550 21a C 120.489 121.891 118.885 121.408 116.417 121.351 60.536 22a T 118.708 115.105 126.131 115.670 118.514 123.700 59.587 23a T 118.754 115.167 126.092 115.708 118.528 123.666 59.592 24a C 120.512 121.926 118.868 121.442 116.382 121.366 60.529 --------------------------------------------------------------------------- MEANS: 119.323 117.390 123.703 117.594 117.806 122.923 59.906 STAND DEV 0.845 3.188 3.389 2.693 0.992 1.099 0.446 SAMPLE SIZE 12 12 12 12 12 12 12 --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PYRIMIDINE VALENCE ANGLES B#/CHN RES C1*N1C2 N1C2N3 C2N3C4 N3C4C5 C4C5C6 C5C6N1 C6N1C1* FOR PSU C1*C5C4 C5C4N3 C4N3C2 N3C2N1 C2N1C6 N1C6C5 C6C5C1* --------------------------------------------------------------------------- ******* 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a T 21a C 22a T 23a T 24a C --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ 1a G 2.367* 2.366* 2.363* 2.340* 2.366 3.376* 2a A 2.384 2.378 2.357 2.323 2.364 3.470 3a A 2.380 2.378 2.357 2.325 2.364 3.460 4a G 2.381 2.377 2.357 2.325 2.363 3.462 5a A 2.376 2.374 2.360 2.330 2.364 3.436 6a A 2.382 2.377 2.357 2.324 2.364 3.465 7a G 2.387 2.378 2.355 2.321 2.364 3.483 8a A 2.391 2.379 2.355 2.321 2.365 3.493 9a A 2.383 2.377 2.357 2.324 2.364 3.467 10a G 2.382 2.378 2.357 2.324 2.364 3.465 11a A 2.380 2.377 2.358 2.325 2.364 3.457 12a A 2.371 2.370* 2.362 2.333 2.364 3.411 13a T 2.382 2.377 2.358 2.325 2.365 3.464 14a T 2.395 2.379 2.354 2.318 2.367 3.505 15a C 2.385 2.378 2.356 2.323 2.364 3.474 16a T 2.391 2.379 2.355 2.320 2.366 3.496 17a T 2.389 2.378 2.356 2.322 2.365 3.487 18a C 2.388 2.378 2.355 2.322 2.364 3.484 19a T 2.394 2.378 2.353 2.318 2.366 3.503 20a T 2.388 2.378 2.356 2.321 2.365 3.484 21a C 2.381 2.377 2.358 2.325 2.364 3.462 22a T 2.402* 2.380 2.349* 2.314 2.373* 3.534 23a T 2.398 2.379 2.352 2.316 2.370* 3.518 24a C 2.390 2.378 2.356 2.321 2.365 3.489 ------------------------------------------------------------------ MEANS: 2.385 2.377 2.356 2.323 2.365 3.473 STAND DEV 0.008 0.003 0.003 0.005 0.002 0.032 SAMPLE SIZE 24 24 24 24 24 24 ------------------------------------------------------------------ 12.DAT CALCULATIONS OF SUGAR 1-4 BOND LENGTHS B#/CHN RES C2*-C4* O4*-C3* C1*-C4* C2*-O4* C3*-C1* C5*-C1* ------------------------------------------------------------------ ****** 1a G **** * 2a A 3a A 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A 12a A * 13a T 14a T 15a C 16a T 17a T 18a C 19a T 20a T 21a C 22a T * * * 23a T * 24a C ------------------------------------------------------------------ 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(1) 1-4 BOND LENGTHS B#/CHN RES O3*-C5* P-C4* O5*-C3* C5*-O3* C4*-P C3*-O5* O4*-C6/8 --------------------------------------------------------------------------- 1a G 0.000 0.000 2.959 3.741* 3.935 3.488 3.055 2a A 3.002 3.934 2.857* 3.698 3.935 3.558 3.083 3a A 2.959 3.940 2.851* 3.705 3.936 3.589 3.080 4a G 3.068 3.940 2.934 3.704 3.935 3.578 2.982 5a A 3.012 3.940 2.936 3.718 3.937 3.604 3.061 6a A 3.023 3.935 2.999 3.702 3.935 3.550 3.001 7a G 3.031 3.940 2.942 3.690 3.935 3.558 2.944 8a A 2.962 3.938 2.946 3.682 3.933 3.612 3.006 9a A 3.062 3.937 3.028 3.700 3.934 3.621 2.990 10a G 2.989 3.940 2.947 3.702 3.936 3.509 2.937 11a A 2.979 3.941 2.936 3.706 3.928* 3.719* 3.054 12a A 3.029 3.934 2.951 3.728 0.000 0.000 3.004 13a T 0.000 0.000 2.963 3.702 3.934 3.475 2.906 14a T 3.057 3.940 2.972 3.673 3.928* 3.682 2.908 15a C 3.013 3.921* 2.995 3.696 3.934 3.462 2.815 16a T 3.021 3.937 2.925 3.680 3.934 3.598 2.838 17a T 2.934* 3.936 2.913 3.687 3.934 3.634 2.888 18a C 3.033 3.929 3.019 3.689 3.934 3.479 2.797 19a T 3.092 3.937 3.010 3.674 3.934 3.567 2.809 20a T 3.002 3.940 2.959 3.689 3.934 3.556 2.888 21a C 3.049 3.941 2.941 3.704 3.935 3.498 2.862 22a T 3.045 3.940 2.919 3.643* 3.932 3.524 2.867 23a T 3.047 3.941 2.957 3.660 3.933 3.458 2.885 24a C 3.091 3.932 2.889 3.685 0.000 0.000 2.898 --------------------------------------------------------------------------- MEANS: 3.023 3.937 2.948 3.694 3.934 3.560 2.940 STAND DEV 0.040 0.004 0.044 0.020 0.002 0.069 0.088 SAMPLE SIZE 22 22 24 24 22 22 24 --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF BACKBONE(6) AND CHI(1) 1-4 BOND LENGTHS B#/CHN RES O3*-C5* P-C4* O5*-C3* C5*-O3* C4*-P C3*-O5* O4*-C6/8 --------------------------------------------------------------------------- ******* 1a G * 2a A * 3a A * 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A ** 12a A 13a T 14a T * 15a C * 16a T 17a T * 18a C 19a T 20a T 21a C 22a T * 23a T 24a C --------------------------------------------------------------------------- 12.DAT CALCULATIONS OF PURINE 1-4 BOND LENGTHS B#/CHN RES C1*-N7 C1*-N3 N9-C5 N9-C6 N9-C2 C8-N3 C8-C4 C8-C6 C8-C5 N7-C4 N7-N3 N7-N1 C5-C2 C4-N1 N3-C6 ------------------------------------------------------------------------------------------------------------------------ 1a G 3.597 2.984 2.212 3.533 3.557 2.193 2.192 3.477 3.596 2.211 3.516 3.673 2a A 3.658 3.040 2.200 3.521 3.522 2.136 2.201 3.516 3.530 2.277 3.587 3.704 3a A 3.659 3.040 2.199 3.520 3.521 2.136 2.201 3.516 3.530 2.277 3.586 3.703 4a G 3.597 2.984 2.212 3.532 3.557 2.193 2.192 3.477 3.597 2.210 3.514 3.673 5a A 3.658 3.040 2.199 3.520 3.522 2.135 2.200 3.515 3.530 2.277 3.586 3.703 6a A 3.659 3.040 2.199 3.520 3.522 2.136 2.201 3.515 3.530 2.278 3.587 3.705 7a G 3.597 2.985 2.212 3.533 3.557 2.193 2.192 3.478 3.597 2.211 3.516 3.673 8a A 3.659 3.040 2.199 3.520 3.522 2.135 2.201 3.515 3.530 2.278 3.587 3.705 9a A 3.659 3.040 2.199 3.521 3.522 2.136 2.201 3.515 3.530 2.277 3.586 3.704 10a G 3.597 2.984 2.213 3.533 3.556 2.193 2.192 3.477 3.596 2.211 3.516 3.673 11a A 3.658 3.039 2.199 3.520 3.521 2.135 2.200 3.515 3.530 2.277 3.586 3.704 12a A 3.659 3.039 2.199 3.520 3.521 2.135 2.200 3.515 3.530 2.277 3.586 3.704 1a G 2.696 2.588 2.894 2a A 2.658 2.649 2.847 3a A 2.659 2.648 2.848 4a G 2.695 2.588 2.894 5a A 2.659 2.648 2.847 6a A 2.658 2.649 2.847 7a G 2.696 2.589 2.894 8a A 2.659 2.649 2.847 9a A 2.658 2.649 2.847 10a G 2.696 2.588 2.893 11a A 2.659 2.649 2.847 12a A 2.658 2.650 2.847 ------------------------------------------------------------------------------------------------------------------------ MEANS: 3.638 3.021 2.203 3.524 3.533 2.155 2.198 3.503 3.552 2.255 3.563 3.694 STAND DEV 0.029 0.026 0.006 0.006 0.017 0.027 0.004 0.018 0.031 0.031 0.033 0.015 SAMPLE SIZE 12 12 12 12 12 12 12 12 12 12 12 12 MEANS: 2.671 2.629 2.863 STAND DEV 0.018 0.029 0.022 SAMPLE SIZE 12 12 12 ------------------------------------------------------------------------------------------------------------------------ 12.DAT CALCULATIONS OF PURINE 1-4 BOND LENGTHS B#/CHN RES C1*-N7 C1*-N3 N9-C5 N9-C6 N9-C2 C8-N3 C8-C4 C8-C6 C8-C5 N7-C4 N7-N3 N7-N1 C5-C2 C4-N1 N3-C6 ------------------------------------------------------------------------------------------------------------------------ *************** 1a G 2a A 3a A 4a G 5a A 6a A 7a G 8a A 9a A 10a G 11a A 12a A ------------------------------------------------------------------------------------------------------------------------ 12.DAT CALCULATIONS OF PYRIMIDINE 1-4 BOND LENGTHS B#/CHN RES C1*-N3 N1-C4 C2-C5 N3-C6 C1*-C5 FOR PSU C1*-N3 C5-C2 C4-N1 N3-C6 C1*-N1 --------------------------------------------------------- 13a T 3.677 2.783 2.818 2.668 3.708 14a T 3.677 2.783 2.818 2.669 3.707 15a C 3.672* 2.697 2.750 2.744 3.690 16a T 3.677 2.783 2.819 2.668 3.708 17a T 3.677 2.783 2.819 2.669 3.708 18a C 3.672* 2.697 2.749 2.744 3.690 19a T 3.677 2.783 2.819 2.669 3.708 20a T 3.677 2.783 2.818 2.668 3.708 21a C 3.672* 2.697 2.750 2.745 3.690 22a T 3.677 2.783 2.819 2.669 3.708 23a T 3.676 2.783 2.818 2.669 3.708 24a C 3.672* 2.697 2.749 2.745 3.690 --------------------------------------------------------- MEANS: 3.675 2.754 2.796 2.694 3.702 STAND DEV 0.002 0.041 0.033 0.036 0.009 SAMPLE SIZE 12 12 12 12 12 --------------------------------------------------------- 12.DAT CALCULATIONS OF PYRIMIDINE 1-4 BOND LENGTHS B#/CHN RES C1*-N3 N1-C4 C2-C5 N3-C6 C1*-C5 FOR PSU C1*-N3 C5-C2 C4-N1 N3-C6 C1*-N1 --------------------------------------------------------- ***** 13a T 14a T 15a C * 16a T 17a T 18a C * 19a T 20a T 21a C * 22a T 23a T 24a C * ---------------------------------------------------------