ATOM_i ATOM_j LOW_BNDS UP_BNDS STD AVG_DST MIN_DST MAX_DST MODEL_DST #_of_DST HA 1 M 1 2.422 2.445 0.011 2.434 2.415 2.450 2.432 5 QB 1 M 1 3.192 3.207 0.008 3.199 3.190 3.214 3.199 5 QB 1 HA 1 2.270 2.283 0.007 2.277 2.270 2.288 2.280 5 HG1 1 M 1 3.331 3.382 0.025 3.356 3.326 3.392 3.338 5 HG1 1 HA 1 3.751 5.367 0.808 4.559 3.544 5.819 3.929 5 HG1 1 QB 1 2.569 2.584 0.008 2.576 2.563 2.585 2.576 5 HG2 1 M 1 4.010 4.349 0.169 4.180 3.949 4.430 4.071 5 HG2 1 HA 1 3.655 3.952 0.148 3.804 3.604 4.016 3.704 5 HG2 1 QB 1 2.601 2.615 0.007 2.608 2.598 2.620 2.603 5 HD1 1 M 1 5.670 5.830 0.000 5.670 5.670 5.670 5.680 1 HD1 1 QB 1 3.502 3.757 0.127 3.630 3.458 3.780 3.619 5 HD1 1 HG1 1 2.455 2.488 0.016 2.471 2.446 2.491 2.462 5 HD1 1 HG2 1 2.482 2.504 0.011 2.493 2.483 2.510 2.510 5 HD2 1 M 1 4.743 5.652 0.455 5.197 4.418 5.565 5.568 4 HD2 1 HA 1 4.218 4.699 0.241 4.459 4.127 4.766 4.765 4 HD2 1 QB 1 2.717 2.760 0.021 2.738 2.712 2.766 2.743 5 HD2 1 HG1 1 2.999 3.098 0.049 3.048 2.977 3.128 3.055 5 HD2 1 HG2 1 2.457 2.499 0.021 2.478 2.453 2.508 2.475 5 HE 1 M 1 4.659 5.634 0.487 5.146 4.556 5.999 5.303 5 HE 1 HA 1 4.601 4.989 0.174 4.775 4.601 4.949 4.942 2 HE 1 QB 1 2.692 2.708 0.008 2.700 2.686 2.710 2.702 5 HE 1 HG1 1 3.228 3.602 0.187 3.415 3.230 3.759 3.424 5 HE 1 HG2 1 3.419 5.570 1.075 4.495 3.480 6.532 3.934 5 HE 1 HD1 1 2.818 2.874 0.028 2.846 2.816 2.884 2.884 5 HE 1 HD2 1 2.317 2.332 0.007 2.325 2.311 2.331 2.330 5 HH11 1 M 1 5.715 6.768 0.526 6.241 5.672 6.820 5.626 4 HH11 1 QB 1 4.405 4.906 0.251 4.655 4.443 5.068 5.067 4 HH11 1 HG1 1 3.218 3.407 0.095 3.313 3.136 3.412 3.373 5 HH11 1 HG2 1 4.155 6.003 0.924 5.079 3.905 6.551 4.897 5 HH11 1 HD1 1 3.428 3.771 0.171 3.600 3.405 3.899 3.515 5 HH11 1 HD2 1 3.730 4.540 0.405 4.135 3.797 4.798 4.801 4 HH11 1 HE 1 3.690 4.459 0.385 4.074 3.614 4.760 3.925 5 HH12 1 M 1 4.462 6.276 0.907 5.369 4.334 6.819 5.292 4 HH12 1 QB 1 4.088 4.383 0.147 4.236 4.042 4.497 4.246 5 HH12 1 HG1 1 2.265 2.280 0.008 2.272 2.264 2.286 2.269 5 HH12 1 HG2 1 3.285 3.462 0.089 3.373 3.260 3.482 3.469 5 HH12 1 HD1 1 2.010 2.022 0.006 2.016 2.006 2.022 2.017 5 HH12 1 HD2 1 3.384 3.921 0.268 3.653 3.360 4.019 3.521 5 HH12 1 HE 1 3.406 3.670 0.132 3.538 3.423 3.734 3.442 5 HH12 1 HH11 1 1.643 1.645 0.001 1.644 1.641 1.645 1.645 5 HH21 1 QB 1 4.676 5.046 0.185 4.861 4.694 5.119 5.119 3 HH21 1 HG1 1 3.585 4.338 0.376 3.961 3.608 4.573 4.567 4 HH21 1 HD1 1 3.680 4.498 0.409 4.089 3.564 4.561 4.558 3 HH21 1 HD2 1 4.242 5.033 0.396 4.637 4.070 5.179 5.174 4 HH21 1 HE 1 3.161 3.279 0.059 3.220 3.153 3.308 3.308 5 HH21 1 HH11 1 2.315 2.332 0.009 2.323 2.314 2.338 2.327 5 HH21 1 HH12 1 3.309 3.788 0.239 3.549 3.273 3.940 3.420 5 HH22 1 QB 1 4.099 4.766 0.333 4.433 3.999 5.024 4.362 5 HH22 1 HG1 1 4.595 4.960 0.163 4.757 4.595 4.920 4.595 2 HH22 1 HD1 1 3.639 4.237 0.299 3.938 3.556 4.286 4.287 3 HH22 1 HD2 1 3.694 5.186 0.746 4.440 3.469 5.566 4.344 4 HH22 1 HE 1 2.128 2.137 0.004 2.132 2.124 2.138 2.134 5 HH22 1 HH11 1 3.174 3.723 0.275 3.449 3.209 3.969 3.441 5 HH22 1 HH12 1 3.404 4.151 0.373 3.778 3.274 4.166 3.895 3 HH22 1 HH21 1 1.643 1.647 0.002 1.645 1.644 1.648 1.645 5 HH22 1 HH22 1 4.742 5.172 0.215 4.957 4.647 5.247 5.015 4 HA 2 M 1 4.082 4.836 0.377 4.459 4.050 5.139 4.270 5 HA 2 HA 1 3.745 4.598 0.427 4.171 3.783 4.886 4.436 5 HA 2 HG2 1 4.541 5.158 0.308 4.850 4.423 5.142 4.991 3 HB1 2 HA 1 3.027 3.073 0.023 3.050 3.027 3.091 3.047 5 HB1 2 HA 2 2.413 2.426 0.006 2.419 2.412 2.428 2.418 5 HB2 2 HA 2 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HG1 2 HA 1 4.929 6.409 0.740 5.669 4.749 6.847 5.457 5 HG1 2 QB 1 3.595 3.951 0.178 3.773 3.578 4.077 4.076 5 HG1 2 HA 2 2.299 2.310 0.006 2.304 2.296 2.311 2.309 5 HG1 2 HB1 2 2.726 2.826 0.050 2.776 2.721 2.835 2.764 5 HG1 2 HB2 2 5.161 5.850 0.344 5.506 5.080 5.923 5.923 3 HG2 2 M 1 3.886 4.537 0.326 4.211 3.796 4.739 4.100 5 HG2 2 HA 1 5.064 5.834 0.385 5.449 5.000 5.883 5.889 4 HG2 2 QB 1 3.238 3.493 0.127 3.365 3.222 3.559 3.317 5 HG2 2 HA 2 2.976 2.984 0.004 2.980 2.973 2.984 2.982 5 HG2 2 HB1 2 2.295 2.307 0.006 2.301 2.291 2.308 2.308 5 HG2 2 HB2 2 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HD1 2 M 1 2.172 2.192 0.010 2.182 2.169 2.192 2.184 5 HD1 2 HA 1 3.182 3.199 0.009 3.190 3.181 3.204 3.196 5 HD1 2 QB 1 5.125 5.946 0.410 5.535 5.044 6.048 5.047 3 HD1 2 HG1 1 3.631 4.214 0.291 3.922 3.467 4.266 4.040 4 HD1 2 HG2 1 3.980 4.931 0.476 4.455 3.907 5.210 4.712 5 HD1 2 HD2 1 3.392 5.082 0.845 4.237 3.649 5.904 3.993 5 HD1 2 HA 2 3.205 3.453 0.124 3.329 3.133 3.476 3.312 5 HD1 2 HB1 2 3.507 3.959 0.226 3.733 3.552 4.051 4.052 3 HD1 2 HB2 2 2.287 2.308 0.011 2.297 2.282 2.311 2.290 5 HD1 2 HG1 2 2.905 3.039 0.067 2.972 2.891 3.085 2.954 5 HD1 2 HG2 2 3.802 4.126 0.162 3.964 3.755 4.217 3.877 5 HD2 2 M 1 1.888 1.893 0.002 1.891 1.888 1.894 1.890 5 HD2 2 HA 1 4.039 4.327 0.144 4.183 3.946 4.392 3.947 5 HD2 2 QB 1 4.030 5.393 0.682 4.711 4.051 5.779 4.831 4 HD2 2 HG2 1 3.452 3.785 0.167 3.619 3.419 3.874 3.580 5 HD2 2 HA 2 3.645 4.515 0.435 4.080 3.411 4.673 4.001 5 HD2 2 HB1 2 3.667 4.008 0.171 3.838 3.590 4.033 3.951 4 HD2 2 HB2 2 2.745 2.805 0.030 2.775 2.720 2.806 2.798 5 HD2 2 HG1 2 2.283 2.295 0.006 2.289 2.278 2.294 2.288 5 HD2 2 HG2 2 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 H 3 HA 2 3.403 3.658 0.127 3.531 3.436 3.780 3.512 5 H 3 HB1 2 3.187 3.343 0.078 3.265 3.159 3.391 3.219 5 H 3 HB2 2 4.243 5.154 0.455 4.698 4.057 5.066 5.062 3 H 3 HG2 2 3.881 4.175 0.147 4.028 3.770 4.185 4.184 5 HA 3 HG2 1 3.993 4.651 0.329 4.322 3.820 4.854 4.324 5 HA 3 HA 2 2.771 2.811 0.020 2.791 2.766 2.816 2.785 5 HA 3 H 3 4.717 5.852 0.568 5.285 4.575 6.282 5.096 5 QB 3 HA 2 2.885 2.896 0.006 2.890 2.882 2.898 2.890 5 QB 3 H 3 2.724 2.742 0.009 2.733 2.721 2.744 2.731 5 QB 3 HA 3 3.767 4.447 0.340 4.107 3.704 4.479 4.145 5 H 4 HA 2 2.796 2.887 0.045 2.841 2.804 2.925 2.854 5 H 4 HB1 2 3.358 3.625 0.134 3.492 3.363 3.742 3.471 5 H 4 HB2 2 4.241 5.033 0.396 4.637 4.062 5.151 5.141 4 H 4 HG1 2 2.756 2.794 0.019 2.775 2.747 2.804 2.785 5 H 4 H 3 3.415 3.605 0.095 3.510 3.384 3.661 3.550 5 H 4 HA 3 3.003 3.040 0.018 3.021 2.995 3.043 3.030 5 H 4 QB 3 3.909 4.228 0.159 4.069 3.881 4.333 4.131 5 HA 4 QB 3 2.791 2.823 0.016 2.807 2.787 2.833 2.813 5 HA 4 H 4 3.525 3.692 0.083 3.609 3.457 3.675 3.669 5 HB1 4 H 4 2.304 2.318 0.007 2.311 2.302 2.322 2.309 5 HB1 4 HA 4 3.682 4.974 0.646 4.328 3.717 5.320 4.482 4 HB2 4 HB1 2 4.178 5.086 0.454 4.632 4.082 5.407 4.648 5 HB2 4 QB 3 2.601 2.612 0.005 2.606 2.596 2.612 2.608 5 HB2 4 H 4 2.315 2.336 0.010 2.326 2.313 2.344 2.328 5 HB2 4 HA 4 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 RD 4 HB1 2 4.067 4.280 0.107 4.174 4.038 4.351 4.096 5 RD 4 HB2 2 3.882 4.915 0.516 4.398 3.777 5.313 4.505 5 RD 4 HG1 2 4.675 5.305 0.315 4.990 4.726 5.433 5.433 3 RD 4 H 3 5.430 6.160 0.365 5.795 5.295 6.155 5.939 3 RD 4 QB 3 2.990 3.071 0.040 3.030 2.962 3.083 3.024 5 RD 4 H 4 3.380 3.541 0.080 3.461 3.346 3.597 3.596 5 RD 4 HA 4 2.244 2.284 0.020 2.264 2.241 2.296 2.262 5 RD 4 HB1 4 2.262 2.282 0.010 2.272 2.260 2.291 2.270 5 RD 4 HB2 4 3.981 4.840 0.429 4.411 3.810 4.863 4.201 4 HE1 4 HB1 2 3.653 4.257 0.302 3.955 3.591 4.488 3.889 5 HE1 4 HG1 2 4.376 6.675 1.149 5.525 4.051 6.659 4.755 4 HE1 4 HB1 4 0.000 0.000 0.000 0.000 0.000 0.000 2.747 0 HE2 4 HB1 2 2.831 2.905 0.037 2.868 2.808 2.913 2.863 5 HE2 4 HB2 2 3.453 3.677 0.112 3.565 3.420 3.725 3.460 5 HE2 4 HG1 2 3.494 3.803 0.155 3.648 3.442 3.892 3.680 5 HE2 4 HG2 2 4.017 4.498 0.240 4.257 3.950 4.619 4.618 4 HE2 4 H 4 3.776 4.442 0.333 4.109 3.807 4.624 4.621 4 HE2 4 HB2 4 0.000 0.000 0.000 0.000 0.000 0.000 2.741 0 HZ 4 HB1 2 3.694 4.455 0.381 4.075 3.719 4.760 4.159 5 HZ 4 HB2 2 2.741 2.771 0.015 2.756 2.735 2.779 2.747 5 HZ 4 HG1 2 4.128 4.678 0.275 4.403 3.878 4.620 3.877 5 HZ 4 HG2 2 4.148 4.745 0.298 4.446 4.068 4.868 4.863 5 HZ 4 HD1 2 0.000 0.000 0.000 0.000 0.000 0.000 4.275 0 H 5 HG2 1 4.602 5.534 0.466 5.068 4.673 5.722 4.810 3 H 5 HD2 1 3.035 3.136 0.050 3.085 3.022 3.158 3.050 5 H 5 HB1 2 4.020 6.158 1.069 5.089 4.368 6.933 4.629 4 H 5 HB2 2 3.955 4.343 0.194 4.149 3.820 4.367 4.320 5 H 5 H 3 3.582 3.935 0.177 3.758 3.528 4.042 3.788 5 H 5 HA 3 2.735 2.772 0.019 2.754 2.734 2.781 2.748 5 H 5 H 4 3.323 3.486 0.081 3.405 3.299 3.544 3.356 5 H 5 HA 4 3.633 5.910 1.139 4.771 4.028 6.740 4.110 4 H 5 HB1 4 3.618 4.041 0.211 3.830 3.663 4.242 4.241 5 H 5 HB2 4 3.445 3.691 0.123 3.568 3.449 3.791 3.587 5 H 5 RD 4 4.274 5.377 0.551 4.826 4.125 5.473 4.879 3 HA 5 HD2 1 4.667 4.681 0.007 4.674 4.663 4.686 4.672 5 HA 5 RD 4 3.805 5.013 0.604 4.409 3.888 5.558 4.322 5 HA 5 HE1 4 2.792 2.830 0.019 2.811 2.790 2.840 2.825 5 HA 5 H 5 3.999 4.317 0.159 4.158 4.001 4.357 4.065 5 HB1 5 QB 1 4.137 5.879 0.871 5.008 4.331 6.494 4.331 4 HB1 5 HG1 1 2.754 2.797 0.022 2.776 2.751 2.806 2.769 5 HB1 5 HG2 1 3.205 3.372 0.083 3.288 3.169 3.391 3.371 5 HB1 5 HD1 1 2.401 2.430 0.014 2.416 2.390 2.433 2.415 5 HB1 5 HD2 1 3.837 4.550 0.356 4.194 3.913 4.697 4.695 3 HB1 5 HE 1 4.058 5.927 0.934 4.992 3.745 5.994 5.249 3 HB1 5 HH12 1 3.780 4.319 0.269 4.050 3.687 4.346 4.347 4 HB1 5 HB1 2 3.745 4.223 0.239 3.984 3.778 4.319 4.320 3 HB1 5 HD1 2 4.053 4.472 0.209 4.263 3.967 4.420 4.419 3 HB1 5 HA 3 4.075 5.404 0.664 4.739 3.851 5.449 4.917 3 HB1 5 H 4 2.411 2.426 0.008 2.418 2.407 2.428 2.416 5 HB1 5 H 5 2.994 3.094 0.050 3.044 2.962 3.121 3.040 5 HB1 5 HA 5 4.284 4.519 0.117 4.402 4.232 4.579 4.474 5 HB2 5 QB 1 4.102 5.191 0.545 4.647 3.868 5.299 5.296 5 HB2 5 HG1 1 3.897 4.489 0.296 4.193 3.868 4.670 4.066 4 HB2 5 HG2 1 3.790 4.027 0.118 3.909 3.750 4.084 3.892 4 HB2 5 HD1 1 2.461 2.498 0.018 2.480 2.454 2.505 2.489 5 HB2 5 HD2 1 3.886 4.378 0.246 4.132 3.801 4.389 4.392 3 HB2 5 HE 1 4.333 4.880 0.274 4.606 4.278 4.882 4.888 4 HB2 5 HD1 2 3.483 3.609 0.063 3.546 3.443 3.634 3.563 5 HB2 5 H 5 2.497 2.514 0.008 2.506 2.496 2.520 2.504 5 HB2 5 HA 5 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HG 5 M 1 3.617 4.300 0.342 3.959 3.671 4.492 3.696 5 HG 5 HA 1 3.071 3.079 0.004 3.075 3.069 3.082 3.077 5 HG 5 QB 1 4.157 5.195 0.519 4.676 3.971 5.205 4.850 3 HG 5 HG1 1 3.486 3.670 0.092 3.578 3.452 3.723 3.622 5 HG 5 HG2 1 4.041 4.773 0.366 4.407 3.921 4.763 4.758 4 HG 5 HD1 1 3.056 3.129 0.037 3.093 3.052 3.152 3.152 5 HG 5 HD2 1 4.068 4.719 0.326 4.393 3.966 4.757 4.455 3 HG 5 HE 1 3.691 4.453 0.381 4.072 3.540 4.662 3.914 5 HG 5 HB1 2 3.500 3.802 0.151 3.651 3.368 3.809 3.662 5 HG 5 HG1 2 4.103 4.723 0.310 4.413 4.109 4.930 4.932 4 HG 5 HG2 2 2.282 2.299 0.009 2.290 2.275 2.300 2.292 5 HG 5 HD1 2 3.527 3.884 0.179 3.706 3.532 4.038 4.037 5 HG 5 HD2 2 3.734 4.467 0.367 4.101 3.577 4.586 3.844 5 HG 5 H 5 3.654 3.889 0.118 3.771 3.656 3.942 3.941 5 HG 5 HA 5 2.641 2.675 0.017 2.658 2.634 2.679 2.679 5 HG 5 HB1 5 2.667 2.696 0.014 2.682 2.659 2.700 2.678 5 HG 5 HB2 5 3.578 4.048 0.235 3.813 3.483 4.103 3.729 5 HG 5 HG 5 3.866 5.927 1.030 4.897 4.005 6.895 4.341 5 H 6 HA 3 3.607 3.667 0.030 3.637 3.595 3.675 3.595 5 H 6 H 4 2.534 2.561 0.014 2.547 2.527 2.570 2.551 5 H 6 HA 4 3.485 3.622 0.069 3.554 3.460 3.645 3.460 5 H 6 H 5 2.989 3.087 0.049 3.038 2.962 3.103 3.037 5 H 6 HA 5 3.697 4.605 0.454 4.151 3.623 4.968 3.956 5 H 6 HB1 5 3.959 5.164 0.602 4.562 3.980 5.689 4.624 5 H 6 HB2 5 3.644 5.071 0.714 4.358 3.820 5.713 4.442 5 HA 6 HA 5 4.069 4.538 0.234 4.303 3.871 4.536 4.470 5 HA 6 HB1 5 2.871 2.931 0.030 2.901 2.862 2.949 2.911 5 HA 6 HB2 5 3.972 4.396 0.212 4.184 3.771 4.360 4.290 5 HA 6 H 6 4.510 5.064 0.257 4.767 4.510 5.024 5.033 2 HB1 6 HA 3 2.653 2.678 0.013 2.666 2.643 2.677 2.643 5 HB1 6 H 5 3.039 3.123 0.042 3.081 3.032 3.140 3.039 5 HB1 6 H 6 3.380 3.840 0.230 3.610 3.397 4.019 3.703 5 HB1 6 HA 6 2.409 2.423 0.007 2.416 2.404 2.425 2.425 5 HB2 6 H 6 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HB2 6 HA 6 4.067 4.531 0.232 4.299 4.088 4.736 4.088 5 HG 6 HG2 1 4.196 4.609 0.207 4.403 4.145 4.652 4.554 4 HG 6 HD1 1 3.011 3.062 0.026 3.036 2.996 3.061 3.060 5 HG 6 HD2 1 3.676 4.533 0.429 4.104 3.667 4.889 4.046 5 HG 6 HA 3 3.376 3.530 0.077 3.453 3.336 3.562 3.503 5 HG 6 H 5 4.069 4.691 0.311 4.380 3.968 4.720 4.725 3 HG 6 HB1 5 2.330 2.346 0.008 2.338 2.328 2.348 2.333 5 HG 6 HB2 5 3.157 3.297 0.070 3.227 3.137 3.346 3.228 5 HG 6 H 6 2.456 2.481 0.013 2.469 2.447 2.480 2.464 5 HG 6 HA 6 3.003 3.124 0.060 3.063 3.002 3.138 3.042 5 HG 6 HB1 6 4.395 5.616 0.611 5.006 4.461 6.108 5.224 5 HG 6 HB2 6 4.049 4.329 0.140 4.189 4.029 4.368 4.178 5 MD1 6 HD1 1 5.607 6.034 0.213 5.820 5.577 6.096 6.094 3 MD1 6 HA 3 4.222 5.240 0.509 4.731 4.135 5.555 4.563 5 MD1 6 QB 3 4.457 5.491 0.517 4.974 4.483 5.946 4.594 5 MD1 6 H 6 3.002 3.024 0.011 3.013 3.000 3.032 3.016 5 MD1 6 HA 6 2.960 3.000 0.020 2.980 2.956 3.009 2.988 5 MD1 6 HB1 6 0.000 0.000 0.000 0.000 0.000 0.000 2.857 0 MD1 6 HB2 6 4.808 5.283 0.238 5.046 4.826 5.432 5.051 4 MD2 6 HG1 1 2.957 3.001 0.022 2.979 2.946 3.011 2.987 5 MD2 6 HG2 1 4.003 4.327 0.162 4.165 3.905 4.306 4.042 5 MD2 6 HD1 1 5.572 5.645 0.017 5.588 5.572 5.605 5.661 2 MD2 6 HD2 1 4.801 5.430 0.314 5.115 4.799 5.511 5.505 5 MD2 6 HE 1 4.029 4.334 0.152 4.181 3.939 4.379 4.124 5 MD2 6 HH11 1 4.864 6.648 0.892 5.756 4.550 6.696 5.351 4 MD2 6 HH12 1 5.426 7.010 0.792 6.218 5.511 7.522 5.665 4 MD2 6 HA 3 4.067 4.436 0.185 4.252 4.070 4.565 4.175 5 MD2 6 H 5 4.441 4.784 0.171 4.612 4.283 4.753 4.703 5 MD2 6 HB1 5 3.880 4.099 0.109 3.990 3.828 4.131 3.924 5 MD2 6 HB2 5 2.834 2.844 0.005 2.839 2.834 2.847 2.843 5 MD2 6 H 6 3.602 4.028 0.213 3.815 3.645 4.219 3.843 5 MD2 6 HA 6 3.130 3.210 0.040 3.170 3.104 3.226 3.160 5 MD2 6 HB1 6 0.000 0.000 0.000 0.000 0.000 0.000 2.726 0 MD2 6 HB2 6 0.000 0.000 0.000 0.000 0.000 0.000 3.386 0 H 7 HA 4 3.881 4.212 0.165 4.046 3.852 4.285 4.193 5 H 7 HB1 4 3.672 4.131 0.230 3.902 3.559 4.270 3.812 5 H 7 H 5 2.593 2.599 0.003 2.596 2.593 2.600 2.599 5 H 7 HA 5 3.306 3.503 0.099 3.405 3.257 3.567 3.381 5 H 7 H 6 3.391 3.528 0.068 3.460 3.381 3.578 3.482 5 H 7 HA 6 3.809 4.282 0.236 4.045 3.747 4.303 4.301 4 H 7 HB1 6 4.055 5.525 0.735 4.790 3.984 5.762 4.621 3 H 7 HB2 6 4.804 5.589 0.392 5.196 4.806 5.721 5.721 4 H 7 HG 6 3.711 4.205 0.247 3.958 3.684 4.297 4.298 4 H 7 MD2 6 2.864 2.918 0.027 2.891 2.847 2.922 2.902 5 HA 7 HB1 6 4.057 5.216 0.579 4.636 4.019 5.513 4.503 5 HA 7 H 7 2.642 2.672 0.015 2.657 2.636 2.680 2.663 5 HB1 7 HA 4 3.004 3.085 0.040 3.044 2.994 3.108 3.069 5 HB1 7 H 7 4.099 5.058 0.480 4.579 3.992 5.167 5.170 3 HB1 7 HA 7 3.475 3.660 0.092 3.567 3.436 3.662 3.627 5 HB2 7 HA 4 2.461 2.482 0.010 2.471 2.458 2.487 2.476 5 HB2 7 H 7 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HB2 7 HA 7 3.409 3.612 0.101 3.510 3.396 3.636 3.464 5 HG1 7 HA 4 4.217 5.099 0.441 4.658 4.032 5.094 5.098 4 HG1 7 HB1 4 3.321 3.592 0.135 3.456 3.310 3.685 3.465 5 HG1 7 HB2 4 3.093 3.213 0.060 3.153 3.054 3.244 3.147 5 HG1 7 H 7 2.945 3.055 0.055 3.000 2.921 3.088 2.999 5 HG1 7 HA 7 2.350 2.363 0.007 2.356 2.349 2.368 2.357 5 HG1 7 HB1 7 3.916 4.814 0.449 4.365 3.877 4.961 4.958 3 HG1 7 HB2 7 2.188 2.205 0.008 2.196 2.183 2.208 2.197 5 HG2 7 H 4 3.110 3.335 0.112 3.223 3.110 3.417 3.262 5 HG2 7 HA 4 4.068 4.568 0.250 4.318 3.999 4.710 4.123 5 HG2 7 HB1 4 4.092 4.820 0.364 4.456 4.059 5.057 4.638 5 HG2 7 HB2 4 3.819 5.243 0.712 4.531 3.520 5.250 3.867 5 HG2 7 H 5 4.094 5.341 0.624 4.718 3.778 5.455 4.589 4 HG2 7 H 6 2.168 2.177 0.004 2.172 2.165 2.179 2.172 5 HG2 7 HB1 6 3.264 3.616 0.176 3.440 3.245 3.762 3.433 5 HG2 7 H 7 2.489 2.532 0.022 2.510 2.486 2.545 2.511 5 HG2 7 HA 7 2.937 3.108 0.085 3.022 2.926 3.154 3.003 5 HG2 7 HB1 7 0.000 0.000 0.000 0.000 0.000 0.000 1.772 0 HG2 7 HB2 7 4.159 4.525 0.183 4.342 4.125 4.642 4.405 5 HA 8 HA 7 0.000 0.160 0.000 0.000 0.000 0.000 0.000 1