++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:27:04 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.ins Phases from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi Native data from ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.hkl Listing output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.lst Phases output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phs Poly-Ala trace output to ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 100040 Reflections read from file ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.phi 100040 Reflections read from file ./1ztc-2.1-parrot-noncs/1ztc-2.1-parrot-noncs.hkl 100040 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000057h^2 -0.000028k^2 +0.000057l^2 +0.000000kl +0.000000hl +0.000000hk 368 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.722 = 0.260, Contrast = 0.152, Connect. = 0.541 for dens.mod. cycle 1 = 0.293, Contrast = 0.421, Connect. = 0.596 for dens.mod. cycle 2 = 0.300, Contrast = 0.670, Connect. = 0.681 for dens.mod. cycle 3 = 0.300, Contrast = 0.820, Connect. = 0.722 for dens.mod. cycle 4 = 0.300, Contrast = 0.913, Connect. = 0.743 for dens.mod. cycle 5 = 0.300, Contrast = 0.968, Connect. = 0.755 for dens.mod. cycle 6 = 0.300, Contrast = 1.002, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 1.023, Connect. = 0.769 for dens.mod. cycle 8 = 0.300, Contrast = 1.036, Connect. = 0.772 for dens.mod. cycle 9 = 0.300, Contrast = 1.044, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 6228 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1086 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 24.578 2.190 0.583 0.880 0.875 0.750 CB 1.468 B: 16 34.477 2.307 0.813 0.857 1.000 0.800 CB 1.568 17 residues pruned to eliminate duplicates C: 13 27.122 2.197 0.547 0.876 1.000 0.917 CB 1.674 13 residues pruned to eliminate duplicates D: 17 34.840 2.232 0.741 0.863 1.000 0.750 CB 1.644 16 residues pruned to eliminate duplicates E: 12 31.868 2.229 0.988 0.886 0.909 0.909 CA 1.721 F: 14 24.952 2.106 0.810 0.789 0.923 0.692 CA 1.525 14 residues pruned to eliminate duplicates G: 23 25.505 2.057 0.939 0.587 0.864 0.636 CA 1.453 H: 14 14.605 2.151 0.728 0.432 1.000 0.462 CB 1.169 I: 16 22.855 2.075 0.770 0.872 0.867 0.667 CB 1.351 J: 18 37.066 2.188 0.873 0.862 1.000 0.706 CB 1.610 18 residues pruned to eliminate duplicates K: 24 17.940 1.964 0.878 0.401 0.783 0.565 CB 1.438 12 residues pruned to eliminate duplicates L: 16 39.420 2.397 0.891 0.879 0.933 0.733 CB 1.744 17 residues pruned to eliminate duplicates M: 12 13.002 1.876 0.831 0.729 0.818 0.636 CA 1.135 12 residues pruned to eliminate duplicates N: 15 19.350 1.996 1.016 0.857 0.857 0.857 CB 1.105 O: 17 30.995 2.259 0.762 0.831 0.938 0.688 CA 1.559 17 residues pruned to eliminate duplicates P: 11 13.609 1.992 0.512 0.441 0.900 0.600 CB 1.687 Q: 14 27.397 2.072 1.120 0.853 0.769 0.769 CA 1.661 14 residues pruned to eliminate duplicates R: 17 31.061 2.158 1.050 0.851 0.938 0.688 CB 1.386 17 residues pruned to eliminate duplicates S: 16 20.418 1.986 0.669 0.908 0.933 0.733 CA 1.210 14 residues pruned to eliminate duplicates T: 18 36.672 2.221 1.025 0.841 0.941 0.706 CB 1.567 18 residues pruned to eliminate duplicates U: 11 31.494 2.234 0.979 0.919 1.000 1.000 CA 1.588 V: 16 24.080 2.068 0.843 0.767 0.867 0.667 CB 1.486 16 residues pruned to eliminate duplicates W: 11 41.307 2.324 1.159 0.920 1.000 0.800 CB 1.833 12 residues pruned to eliminate duplicates X: 17 25.992 1.930 0.791 0.854 0.938 0.875 CA 1.481 Y: 16 19.822 1.953 0.790 0.844 0.933 0.600 CA 1.167 Z: 9 16.592 1.946 1.111 0.708 0.875 0.625 CA 1.351 9 residues pruned to eliminate duplicates Z: 15 19.759 2.084 0.542 0.874 0.857 0.714 CA 1.396 15 residues pruned to eliminate duplicates Z: 16 27.686 2.054 0.743 0.898 1.000 0.733 CB 1.428 16 residues pruned to eliminate duplicates Z: 13 22.118 2.111 1.083 0.765 0.750 0.417 CB 1.530 Z: 15 11.342 1.961 0.450 0.357 0.929 0.500 CB 1.339 Z: 17 20.644 1.913 0.652 0.846 0.938 0.625 CA 1.294 17 residues pruned to eliminate duplicates Z: 9 7.205 1.739 0.935 0.624 0.500 0.250 CA 1.346 Z: 12 18.744 1.901 0.923 0.839 0.909 0.818 CA 1.270 Z: 16 31.064 2.257 0.593 0.839 0.933 0.733 CB 1.785 16 residues pruned to eliminate duplicates Z: 14 21.986 2.068 0.559 0.841 0.923 0.692 CA 1.528 14 residues pruned to eliminate duplicates Z: 16 43.525 2.369 0.958 0.877 1.000 0.600 CB 1.759 16 residues pruned to eliminate duplicates Z: 16 29.004 2.079 0.747 0.897 1.000 0.733 CB 1.475 17 residues pruned to eliminate duplicates Z: 13 35.347 2.195 1.380 0.923 1.000 0.917 CB 1.373 15 residues pruned to eliminate duplicates Z: 14 29.972 2.036 1.093 0.849 0.923 0.769 CB 1.567 14 residues pruned to eliminate duplicates Z: 7 9.753 1.906 1.042 0.532 0.833 0.667 CB 1.190 Z: 13 24.714 2.088 0.626 0.889 1.000 0.750 CA 1.512 13 residues pruned to eliminate duplicates Z: 21 23.608 2.044 1.108 0.524 0.900 0.600 CB 1.330 Z: 16 26.754 1.986 0.762 0.892 1.000 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 12 25.384 1.892 1.031 0.891 1.000 0.727 CA 1.432 12 residues pruned to eliminate duplicates Z: 14 24.321 2.031 1.192 0.761 0.846 0.692 CB 1.421 13 residues pruned to eliminate duplicates Z: 6 5.029 1.505 0.443 0.707 1.000 0.800 N 0.858 Z: 11 11.379 1.822 0.834 0.325 0.900 0.500 CB 1.451 Z: 16 42.738 2.373 0.933 0.855 1.000 0.667 CB 1.776 16 residues pruned to eliminate duplicates Z: 7 19.261 2.135 1.085 0.829 0.833 0.667 CA 1.595 9 residues pruned to eliminate duplicates Z: 23 31.031 2.123 0.980 0.677 0.864 0.727 CA 1.549 25 residues pruned to eliminate duplicates Z: 14 27.257 1.931 1.035 0.907 0.923 0.769 CA 1.482 14 residues pruned to eliminate duplicates Z: 9 4.849 1.996 0.761 0.336 0.625 0.375 CB 0.934 9 residues pruned to eliminate duplicates Z: 12 19.504 1.891 0.840 0.785 1.000 0.727 CB 1.315 Z: 16 29.868 2.088 0.946 0.883 0.933 0.667 CB 1.470 15 residues pruned to eliminate duplicates Z: 12 12.181 2.040 0.860 0.482 0.909 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 13 16.827 1.970 0.731 0.677 0.833 0.333 CB 1.452 12 residues pruned to eliminate duplicates Z: 12 25.950 1.914 0.949 0.856 1.000 0.818 CB 1.546 12 residues pruned to eliminate duplicates Z: 12 11.583 1.924 1.084 0.574 0.636 0.364 CB 1.274 Z: 16 22.070 2.068 0.659 0.827 0.933 0.733 CB 1.341 17 residues pruned to eliminate duplicates Z: 11 16.726 2.017 0.945 0.477 0.900 0.900 N 1.533 Z: 20 21.351 2.029 1.096 0.503 0.895 0.632 CB 1.283 20 residues pruned to eliminate duplicates Z: 14 29.363 2.115 1.031 0.904 1.000 0.692 CB 1.350 16 residues pruned to eliminate duplicates Z: 10 30.881 2.288 0.851 0.921 1.000 1.000 CA 1.710 10 residues pruned to eliminate duplicates Z: 22 27.705 2.121 0.573 0.729 0.952 0.762 CA 1.548 22 residues pruned to eliminate duplicates Z: 13 28.127 2.119 1.141 0.907 1.000 0.667 CB 1.272 13 residues pruned to eliminate duplicates Z: 14 14.464 2.050 1.147 0.410 0.846 0.615 CB 1.183 Z: 12 18.070 1.929 0.762 0.840 1.000 0.909 CA 1.195 12 residues pruned to eliminate duplicates Z: 13 32.187 2.144 1.149 0.888 0.917 0.750 CA 1.585 12 residues pruned to eliminate duplicates Z: 31 28.728 2.018 1.015 0.511 0.900 0.600 CB 1.418 12 residues pruned to eliminate duplicates Z: 33 22.103 2.039 0.796 0.323 0.844 0.594 CB 1.536 Z: 12 16.717 1.784 0.760 0.852 1.000 0.727 CB 1.188 11 residues pruned to eliminate duplicates Z: 15 20.270 2.034 0.905 0.837 0.857 0.786 CB 1.220 15 residues pruned to eliminate duplicates Z: 20 29.563 2.167 1.006 0.620 0.947 0.526 CB 1.471 20 residues pruned to eliminate duplicates Z: 16 29.351 2.122 0.934 0.886 0.933 0.800 CB 1.427 17 residues pruned to eliminate duplicates Z: 17 12.068 1.995 0.529 0.334 0.875 0.625 CB 1.355 Z: 13 21.022 1.949 0.839 0.878 0.917 0.917 CB 1.340 13 residues pruned to eliminate duplicates Z: 12 31.437 2.161 1.009 0.909 0.909 0.818 CA 1.705 13 residues pruned to eliminate duplicates Z: 13 29.551 2.042 1.084 0.873 1.000 0.833 CB 1.460 12 residues pruned to eliminate duplicates Z: 7 9.120 1.622 0.759 0.647 0.833 0.333 CA 1.365 Z: 9 6.724 1.951 0.738 0.297 0.625 0.375 CA 1.407 Z: 18 20.211 1.895 0.522 0.880 0.941 0.824 CB 1.308 18 residues pruned to eliminate duplicates Z: 18 13.410 1.935 0.705 0.416 0.824 0.412 CB 1.307 13 residues pruned to eliminate duplicates Z: 13 19.218 1.847 1.217 0.788 0.917 0.750 CB 1.148 13 residues pruned to eliminate duplicates Z: 16 15.220 2.034 0.830 0.479 0.867 0.600 CB 1.245 Z: 15 18.686 1.940 0.661 0.833 0.857 0.571 CA 1.357 15 residues pruned to eliminate duplicates Z: 8 12.706 1.877 0.696 0.643 1.000 0.714 N 1.319 Z: 6 5.749 1.870 0.845 0.498 0.800 0.600 CB 0.933 Z: 17 12.490 1.999 0.719 0.532 0.812 0.562 CB 1.084 6 residues pruned to eliminate duplicates Z: 18 23.770 1.944 1.020 0.538 0.941 0.353 CB 1.503 16 residues pruned to eliminate duplicates Z: 13 26.294 2.050 0.692 0.895 1.000 0.750 CA 1.568 13 residues pruned to eliminate duplicates Z: 20 11.561 1.861 0.859 0.277 0.789 0.474 CB 1.249 Z: 12 20.895 1.932 1.076 0.805 0.818 0.545 CA 1.470 12 residues pruned to eliminate duplicates Z: 10 11.094 1.998 0.634 0.446 0.778 0.778 CA 1.539 10 residues pruned to eliminate duplicates Z: 7 9.333 1.601 0.804 0.461 1.000 0.500 O 1.373 Z: 16 28.167 2.042 0.749 0.919 1.000 0.867 CB 1.435 16 residues pruned to eliminate duplicates Z: 12 21.974 2.003 0.712 0.884 1.000 1.000 CA 1.396 11 residues pruned to eliminate duplicates Z: 14 31.421 1.950 1.235 0.913 1.000 0.615 CA 1.416 13 residues pruned to eliminate duplicates Z: 12 22.016 2.116 0.615 0.844 0.909 0.818 CA 1.590 12 residues pruned to eliminate duplicates Z: 14 13.213 2.012 0.823 0.296 0.769 0.538 CA 1.631 Z: 17 23.765 1.997 0.636 0.871 0.938 0.688 CB 1.414 Z: 15 13.293 2.022 0.476 0.592 0.929 0.643 CB 1.174 15 residues pruned to eliminate duplicates Z: 10 11.697 1.851 0.735 0.586 0.778 0.444 CB 1.437 Z: 12 33.560 2.113 1.088 0.898 1.000 0.818 CB 1.641 12 residues pruned to eliminate duplicates Z: 27 27.012 2.044 0.881 0.410 0.923 0.538 CB 1.641 13 residues pruned to eliminate duplicates Z: 10 17.110 2.034 0.837 0.574 1.000 0.556 CB 1.422 Z: 13 24.729 2.064 0.658 0.922 1.000 0.833 CA 1.468 12 residues pruned to eliminate duplicates Z: 15 19.285 2.090 0.524 0.858 0.929 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 18 25.201 1.890 0.696 0.894 0.941 0.882 CA 1.453 17 residues pruned to eliminate duplicates Z: 29 12.543 1.895 0.774 0.345 0.786 0.464 CB 1.062 5 residues pruned to eliminate duplicates Z: 18 17.925 1.933 0.463 0.894 0.941 0.647 CB 1.172 16 residues pruned to eliminate duplicates Z: 15 28.086 2.106 0.671 0.883 1.000 0.929 CA 1.543 15 residues pruned to eliminate duplicates Z: 16 30.959 1.949 0.964 0.881 1.000 0.733 CA 1.512 Z: 18 27.872 1.860 0.921 0.884 0.941 0.824 CA 1.453 17 residues pruned to eliminate duplicates Z: 15 20.361 1.981 0.838 0.867 0.929 0.500 CB 1.178 15 residues pruned to eliminate duplicates Z: 18 23.848 1.980 0.669 0.803 0.941 0.765 CB 1.427 18 residues pruned to eliminate duplicates Z: 14 31.712 2.052 1.109 0.882 0.923 0.769 CA 1.592 14 residues pruned to eliminate duplicates Z: 8 17.043 2.050 1.679 0.673 0.714 0.286 CB 1.400 15 residues pruned to eliminate duplicates Z: 14 12.560 1.772 0.676 0.558 0.923 0.615 CA 1.201 14 residues pruned to eliminate duplicates Z: 17 25.728 1.992 0.636 0.850 1.000 0.688 CB 1.461 18 residues pruned to eliminate duplicates Z: 11 14.791 2.003 0.623 0.485 0.900 0.800 N 1.623 11 residues pruned to eliminate duplicates Z: 13 18.453 2.137 0.523 0.851 0.917 0.750 CB 1.322 13 residues pruned to eliminate duplicates Z: 7 6.601 1.724 0.497 0.671 0.667 0.500 N 1.338 7 residues pruned to eliminate duplicates Z: 15 19.897 2.084 0.900 0.820 0.786 0.714 CB 1.295 15 residues pruned to eliminate duplicates Z: 9 15.372 1.906 0.461 0.882 1.000 1.000 CA 1.413 Z: 15 27.749 1.947 1.181 0.769 1.000 0.714 CA 1.376 15 residues pruned to eliminate duplicates Z: 14 28.427 2.088 0.982 0.860 0.923 0.769 CB 1.517 14 residues pruned to eliminate duplicates Z: 6 14.534 2.259 1.240 0.611 0.800 0.400 CB 1.445 4 residues pruned to eliminate duplicates Z: 16 31.141 1.981 1.021 0.884 1.000 0.733 CB 1.451 16 residues pruned to eliminate duplicates Z: 12 19.750 1.883 0.909 0.893 1.000 0.909 CA 1.188 12 residues pruned to eliminate duplicates Z: 15 26.139 2.093 0.900 0.888 1.000 0.714 CB 1.266 15 residues pruned to eliminate duplicates Z: 25 28.296 2.017 0.832 0.634 0.958 0.750 CB 1.438 25 residues pruned to eliminate duplicates Z: 23 28.618 2.054 0.888 0.647 0.909 0.636 CA 1.509 23 residues pruned to eliminate duplicates Z: 15 9.414 1.751 0.721 0.311 0.857 0.286 CB 1.201 11 residues pruned to eliminate duplicates Z: 18 22.039 1.947 0.512 0.865 0.941 0.706 CB 1.413 18 residues pruned to eliminate duplicates Z: 39 27.886 1.998 0.864 0.573 0.868 0.474 CB 1.303 14 residues pruned to eliminate duplicates Z: 6 7.291 1.807 0.731 0.598 0.800 0.600 CB 1.187 6 residues pruned to eliminate duplicates Z: 9 8.912 1.823 0.467 0.817 0.875 0.625 CA 1.022 8 residues pruned to eliminate duplicates Z: 14 20.361 1.780 0.936 0.871 0.923 0.692 CB 1.294 Z: 19 6.402 1.832 0.347 0.262 0.778 0.500 CB 1.032 18 residues pruned to eliminate duplicates Z: 29 18.705 2.042 0.668 0.418 0.821 0.500 CB 1.377 35 residues pruned to eliminate duplicates Z: 13 22.568 1.952 0.689 0.900 0.917 0.833 CA 1.540 13 residues pruned to eliminate duplicates Z: 8 9.898 1.966 1.483 0.737 0.857 0.857 CB 0.723 Z: 23 21.983 1.985 0.826 0.478 0.864 0.409 CB 1.532 Z: 9 11.897 1.832 0.811 0.557 0.875 0.750 CA 1.371 Z: 11 10.628 1.716 0.474 0.842 0.800 0.800 CA 1.237 10 residues pruned to eliminate duplicates Z: 18 15.230 1.844 0.882 0.478 0.941 0.471 CB 1.156 10 residues pruned to eliminate duplicates Z: 6 5.937 1.531 0.665 0.612 0.800 0.600 CA 1.171 Z: 9 2.963 1.897 0.444 0.295 0.375 0.250 CB 1.283 Z: 20 11.863 1.989 0.497 0.403 0.842 0.421 CB 1.201 25 residues pruned to eliminate duplicates Z: 15 25.182 2.109 0.850 0.845 0.857 0.714 CB 1.496 15 residues pruned to eliminate duplicates Z: 12 24.084 2.181 0.591 0.922 1.000 0.909 CA 1.472 13 residues pruned to eliminate duplicates Z: 13 11.352 1.800 0.546 0.828 0.917 0.750 CB 0.968 13 residues pruned to eliminate duplicates Z: 19 11.821 1.796 0.742 0.376 0.833 0.500 CB 1.220 20 residues pruned to eliminate duplicates Z: 13 11.395 1.991 0.586 0.376 0.833 0.667 CB 1.426 11 residues pruned to eliminate duplicates Z: 21 19.486 1.987 0.653 0.535 0.900 0.650 CB 1.424 19 residues pruned to eliminate duplicates Z: 23 17.984 1.894 1.143 0.432 0.818 0.409 CB 1.238 24 residues pruned to eliminate duplicates Z: 35 31.889 2.052 1.030 0.542 0.882 0.441 CB 1.428 31 residues pruned to eliminate duplicates Z: 23 21.598 1.954 0.977 0.434 0.909 0.636 CB 1.404 23 residues pruned to eliminate duplicates Z: 44 36.803 2.167 0.911 0.579 0.860 0.581 CB 1.459 45 residues pruned to eliminate duplicates Z: 20 21.358 2.069 1.002 0.453 0.895 0.632 CB 1.388 23 residues pruned to eliminate duplicates Z: 16 37.309 2.386 0.690 0.866 1.000 0.867 CA 1.749 16 residues pruned to eliminate duplicates Z: 12 30.948 2.084 1.118 0.912 1.000 0.818 CB 1.497 12 residues pruned to eliminate duplicates Z: 11 24.326 2.001 1.037 0.896 1.000 1.000 CB 1.352 11 residues pruned to eliminate duplicates Z: 51 49.230 2.096 1.062 0.642 0.960 0.600 CB 1.469 54 residues pruned to eliminate duplicates Z: 16 13.194 1.864 0.935 0.372 0.933 0.600 CB 1.160 Z: 12 14.336 1.790 1.056 0.569 0.909 0.818 CB 1.209 Z: 19 9.957 1.726 0.540 0.574 0.889 0.556 CB 0.925 10 residues pruned to eliminate duplicates Z: 15 23.467 2.092 0.966 0.879 0.929 0.714 CB 1.191 15 residues pruned to eliminate duplicates Z: 12 38.860 2.146 1.362 0.908 1.000 0.818 CA 1.643 13 residues pruned to eliminate duplicates Z: 57 37.976 1.989 1.026 0.536 0.929 0.607 CB 1.309 35 residues pruned to eliminate duplicates Z: 10 24.183 2.064 0.983 0.853 1.000 0.444 CA 1.456 10 residues pruned to eliminate duplicates Z: 17 29.055 2.094 0.833 0.849 0.938 0.750 CA 1.497 18 residues pruned to eliminate duplicates Z: 12 18.312 1.888 0.549 0.901 1.000 0.909 CB 1.348 13 residues pruned to eliminate duplicates Z: 9 9.176 1.742 1.305 0.588 0.750 0.625 CB 0.991 Z: 32 25.726 2.016 0.952 0.530 0.871 0.613 CB 1.309 26 residues pruned to eliminate duplicates Z: 11 26.195 2.145 1.047 0.878 1.000 0.500 CB 1.369 11 residues pruned to eliminate duplicates Z: 7 9.079 1.801 1.635 0.484 0.833 0.500 CB 0.952 5 residues pruned to eliminate duplicates Z: 24 24.026 1.940 0.882 0.670 0.957 0.565 CB 1.226 15 residues pruned to eliminate duplicates Z: 15 21.927 2.047 0.939 0.893 0.929 0.857 CB 1.141 15 residues pruned to eliminate duplicates Z: 13 19.969 1.928 0.721 0.844 1.000 0.833 CB 1.293 13 residues pruned to eliminate duplicates Z: 13 18.129 1.810 0.527 0.845 0.917 0.750 CB 1.535 13 residues pruned to eliminate duplicates Z: 12 30.482 2.199 0.894 0.921 1.000 0.909 CA 1.552 14 residues pruned to eliminate duplicates Z: 35 21.734 1.927 0.703 0.460 0.824 0.441 CB 1.436 29 residues pruned to eliminate duplicates Z: 8 6.618 1.592 0.329 0.677 0.857 0.429 N 1.172 8 residues pruned to eliminate duplicates Z: 12 20.749 1.955 0.825 0.867 1.000 0.818 CA 1.282 12 residues pruned to eliminate duplicates Z: 16 24.830 2.074 0.774 0.878 0.933 0.733 CB 1.355 16 residues pruned to eliminate duplicates Z: 14 16.553 1.903 0.689 0.576 1.000 0.846 CB 1.327 14 residues pruned to eliminate duplicates Z: 22 31.441 2.039 1.041 0.718 1.000 0.810 CB 1.353 22 residues pruned to eliminate duplicates Z: 21 17.636 2.077 1.044 0.371 0.800 0.500 CB 1.333 Z: 6 3.268 1.646 0.559 0.599 0.600 0.600 CB 0.864 Z: 9 6.602 1.598 0.693 0.396 0.750 0.625 CB 1.284 9 residues pruned to eliminate duplicates Z: 8 13.524 1.796 0.590 0.894 0.857 0.571 O 1.498 Z: 17 10.689 2.198 0.447 0.330 0.812 0.375 CB 1.246 Z: 7 10.753 1.851 0.292 0.880 1.000 0.667 CB 1.330 7 residues pruned to eliminate duplicates Z: 9 9.228 1.621 0.455 0.867 0.875 0.625 O 1.157 Z: 11 15.258 1.791 0.694 0.863 1.000 0.800 CB 1.167 Z: 22 15.525 1.848 0.943 0.462 0.810 0.524 CB 1.211 12 residues pruned to eliminate duplicates Z: 15 9.474 1.904 0.652 0.340 0.714 0.571 CB 1.342 13 residues pruned to eliminate duplicates Z: 26 21.680 1.999 0.619 0.553 0.920 0.440 CB 1.383 26 residues pruned to eliminate duplicates Z: 16 27.730 2.003 0.889 0.883 1.000 0.733 CA 1.369 16 residues pruned to eliminate duplicates Z: 6 2.080 1.927 -0.149 0.479 0.600 0.600 CB 0.967 Z: 12 14.020 2.128 0.377 0.483 1.000 0.455 CB 1.468 14 residues pruned to eliminate duplicates Z: 10 21.185 2.045 1.146 0.793 0.889 0.333 CA 1.400 10 residues pruned to eliminate duplicates Z: 27 15.862 1.839 0.618 0.454 0.885 0.538 CB 1.239 27 residues pruned to eliminate duplicates Z: 13 27.267 2.125 0.968 0.889 0.833 0.750 CA 1.627 13 residues pruned to eliminate duplicates Z: 12 24.440 1.962 1.001 0.897 1.000 1.000 CB 1.344 12 residues pruned to eliminate duplicates Z: 7 6.553 1.704 0.465 0.393 0.833 0.500 N 1.439 Z: 17 20.259 1.936 0.761 0.836 0.812 0.688 CB 1.369 16 residues pruned to eliminate duplicates Z: 47 31.907 2.039 0.916 0.522 0.848 0.500 CB 1.389 40 residues pruned to eliminate duplicates Z: 14 22.397 2.044 0.692 0.844 0.923 0.692 CA 1.448 13 residues pruned to eliminate duplicates Z: 6 7.614 1.610 1.385 0.479 1.000 0.600 CB 0.905 Z: 11 14.340 1.896 0.316 0.889 1.000 0.900 CB 1.308 11 residues pruned to eliminate duplicates Z: 6 13.865 2.100 0.801 0.694 1.000 0.800 CA 1.373 6 residues pruned to eliminate duplicates Z: 15 28.615 2.093 0.797 0.882 1.000 0.857 CB 1.471 15 residues pruned to eliminate duplicates Z: 12 13.354 1.883 0.305 0.868 1.000 0.818 CA 1.197 12 residues pruned to eliminate duplicates Z: 18 13.615 1.956 0.957 0.428 0.765 0.588 CB 1.216 18 residues pruned to eliminate duplicates Z: 18 24.965 1.923 0.887 0.888 1.000 0.824 CB 1.202 18 residues pruned to eliminate duplicates Z: 11 15.482 1.797 0.816 0.865 1.000 0.700 CB 1.099 10 residues pruned to eliminate duplicates Z: 23 17.218 1.879 1.190 0.396 0.818 0.591 CB 1.216 23 residues pruned to eliminate duplicates Z: 7 10.278 1.951 0.629 0.622 1.000 0.500 CB 1.177 11 residues pruned to eliminate duplicates Z: 26 26.034 2.047 0.905 0.422 0.920 0.440 CA 1.575 43 residues pruned to eliminate duplicates Z: 11 14.420 1.840 0.317 0.893 1.000 1.000 CB 1.351 11 residues pruned to eliminate duplicates Z: 12 8.454 2.008 0.389 0.360 0.909 0.455 CB 1.168 11 residues pruned to eliminate duplicates Z: 11 13.645 1.765 0.836 0.580 0.900 0.500 CB 1.370 11 residues pruned to eliminate duplicates Z: 20 18.166 2.064 0.948 0.503 0.737 0.421 CB 1.402 14 residues pruned to eliminate duplicates Z: 24 20.453 2.001 1.056 0.431 0.870 0.522 CB 1.280 26 residues pruned to eliminate duplicates Z: 12 14.490 1.739 0.572 0.901 1.000 0.818 CB 1.141 12 residues pruned to eliminate duplicates Z: 21 38.670 2.249 1.109 0.719 0.950 0.600 CB 1.574 17 residues pruned to eliminate duplicates Z: 7 5.093 1.513 0.336 0.603 0.833 0.333 N 1.119 Z: 21 22.308 1.996 0.785 0.513 0.950 0.600 CB 1.455 21 residues pruned to eliminate duplicates Z: 8 5.916 1.874 0.666 0.490 0.857 0.429 CB 0.844 Z: 6 9.164 1.622 1.054 0.847 1.000 0.800 CB 0.914 6 residues pruned to eliminate duplicates Z: 16 18.493 1.777 0.844 0.824 0.800 0.533 CA 1.375 16 residues pruned to eliminate duplicates Z: 17 10.374 2.079 0.453 0.290 0.812 0.625 CB 1.338 17 residues pruned to eliminate duplicates Z: 15 30.779 1.977 1.285 0.881 1.000 0.643 CB 1.318 16 residues pruned to eliminate duplicates Z: 10 20.774 2.099 0.694 0.887 1.000 0.889 CA 1.404 10 residues pruned to eliminate duplicates Z: 15 9.535 1.935 0.507 0.413 0.786 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 14 31.357 2.087 1.182 0.903 1.000 0.615 CB 1.361 14 residues pruned to eliminate duplicates Z: 6 6.541 1.582 0.832 0.658 0.800 0.600 CA 1.090 Z: 17 14.857 2.134 0.714 0.334 0.875 0.500 CB 1.391 17 residues pruned to eliminate duplicates Z: 15 9.020 1.852 0.681 0.412 0.929 0.429 CB 0.914 15 residues pruned to eliminate duplicates Z: 12 22.809 1.980 0.895 0.868 1.000 0.636 CA 1.339 12 residues pruned to eliminate duplicates Z: 8 6.548 1.889 0.255 0.791 0.571 0.429 CB 1.415 8 residues pruned to eliminate duplicates Z: 17 24.938 2.068 0.866 0.833 0.938 0.562 CB 1.293 17 residues pruned to eliminate duplicates Z: 8 6.111 1.751 0.733 0.286 0.857 0.571 CB 1.129 Z: 13 19.806 2.040 0.435 0.829 1.000 0.667 CB 1.469 13 residues pruned to eliminate duplicates Z: 6 12.421 1.863 1.245 0.687 1.000 0.600 CB 1.119 Z: 27 21.845 1.924 0.968 0.441 0.885 0.692 CB 1.360 35 residues pruned to eliminate duplicates Z: 9 12.417 1.818 0.348 0.915 1.000 0.875 CB 1.266 9 residues pruned to eliminate duplicates Z: 16 26.597 2.049 0.735 0.906 0.933 0.867 CB 1.472 16 residues pruned to eliminate duplicates Z: 30 23.648 1.988 0.758 0.508 0.897 0.621 CB 1.391 22 residues pruned to eliminate duplicates Z: 20 14.144 1.992 0.733 0.362 0.895 0.474 CB 1.219 20 residues pruned to eliminate duplicates Z: 7 3.870 1.539 1.026 0.422 0.667 0.500 CA 0.825 Z: 6 10.195 1.947 0.747 0.557 0.800 0.400 O 1.586 Z: 8 4.330 1.776 0.431 0.283 0.857 0.429 CA 0.960 Z: 31 20.553 1.879 0.724 0.545 0.867 0.367 CB 1.278 31 residues pruned to eliminate duplicates Z: 19 10.442 1.932 0.533 0.399 0.889 0.556 CB 1.040 20 residues pruned to eliminate duplicates Z: 6 8.928 2.074 1.308 0.602 0.600 0.600 CB 1.262 6 residues pruned to eliminate duplicates Z: 14 24.223 2.133 1.024 0.888 0.923 0.538 CB 1.214 14 residues pruned to eliminate duplicates Z: 18 21.002 1.855 0.620 0.839 0.941 0.765 CB 1.345 18 residues pruned to eliminate duplicates Z: 9 9.902 1.708 0.783 0.818 1.000 0.750 CB 0.872 9 residues pruned to eliminate duplicates Z: 7 16.810 1.974 0.799 0.773 1.000 0.500 CA 1.519 7 residues pruned to eliminate duplicates Z: 32 30.105 2.082 0.901 0.563 0.806 0.645 CA 1.593 26 residues pruned to eliminate duplicates Z: 19 9.410 1.785 0.721 0.425 0.833 0.500 CB 0.936 19 residues pruned to eliminate duplicates Z: 7 5.446 1.567 0.470 0.668 0.833 0.500 CA 0.992 7 residues pruned to eliminate duplicates Z: 9 14.846 1.986 0.942 0.645 0.875 0.500 CA 1.359 9 residues pruned to eliminate duplicates Z: 7 4.773 1.605 0.520 0.307 0.833 0.667 CB 1.189 3 residues pruned to eliminate duplicates Z: 11 9.187 1.863 0.545 0.708 0.800 0.500 CB 1.045 11 residues pruned to eliminate duplicates Z: 15 7.610 1.816 0.463 0.373 0.714 0.357 CB 1.228 5 residues pruned to eliminate duplicates Z: 16 27.047 2.040 0.654 0.851 1.000 0.867 CB 1.532 16 residues pruned to eliminate duplicates Z: 21 22.148 1.991 0.635 0.633 0.950 0.650 CB 1.413 21 residues pruned to eliminate duplicates Z: 17 13.091 1.791 0.976 0.377 0.812 0.438 CA 1.298 17 residues pruned to eliminate duplicates Z: 10 6.194 1.740 0.631 0.459 0.667 0.556 CB 1.138 10 residues pruned to eliminate duplicates Z: 12 16.369 1.762 1.173 0.890 0.909 0.818 CB 1.020 11 residues pruned to eliminate duplicates Z: 18 13.603 2.027 0.653 0.292 0.824 0.412 CB 1.509 19 residues pruned to eliminate duplicates Z: 15 6.689 1.692 0.801 0.321 0.571 0.500 CB 1.250 15 residues pruned to eliminate duplicates Z: 12 30.732 2.148 1.325 0.833 0.909 0.727 CB 1.531 12 residues pruned to eliminate duplicates Z: 19 14.781 1.934 0.683 0.559 0.778 0.500 CB 1.299 19 residues pruned to eliminate duplicates Z: 12 38.943 2.203 1.139 0.901 1.000 0.909 CA 1.779 12 residues pruned to eliminate duplicates Z: 8 6.804 1.701 0.955 0.334 0.714 0.286 O 1.297 Z: 61 29.184 2.019 0.934 0.460 0.817 0.417 CB 1.231 61 residues pruned to eliminate duplicates Z: 6 4.215 1.312 0.392 0.734 1.000 0.800 N 0.837 Z: 9 8.908 1.728 1.053 0.410 0.875 0.750 CB 1.116 Z: 13 15.500 1.765 0.860 0.801 0.917 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 15 19.886 1.945 0.706 0.900 1.000 0.786 CA 1.144 15 residues pruned to eliminate duplicates Z: 8 4.780 1.679 0.420 0.227 0.857 0.429 CB 1.217 8 residues pruned to eliminate duplicates Z: 35 27.131 2.088 0.905 0.471 0.882 0.618 CB 1.366 35 residues pruned to eliminate duplicates Z: 15 11.940 1.873 0.612 0.280 0.929 0.429 CA 1.459 15 residues pruned to eliminate duplicates Z: 24 25.511 2.019 0.826 0.545 0.913 0.522 CB 1.511 24 residues pruned to eliminate duplicates Z: 24 29.522 2.004 0.860 0.626 0.957 0.739 CA 1.533 22 residues pruned to eliminate duplicates Z: 24 22.745 2.021 0.907 0.566 0.826 0.304 CB 1.397 25 residues pruned to eliminate duplicates Z: 29 19.871 1.987 0.893 0.364 0.929 0.464 CB 1.245 29 residues pruned to eliminate duplicates Z: 10 9.168 1.694 0.513 0.818 0.889 0.778 CB 1.018 10 residues pruned to eliminate duplicates Z: 12 18.706 1.866 0.587 0.890 1.000 1.000 CA 1.370 12 residues pruned to eliminate duplicates Z: 13 26.701 2.107 1.063 0.873 0.917 0.750 CA 1.409 13 residues pruned to eliminate duplicates Z: 12 26.317 2.143 1.053 0.801 0.909 0.818 CA 1.524 15 residues pruned to eliminate duplicates Z: 17 27.405 1.989 0.787 0.844 1.000 0.625 CB 1.435 17 residues pruned to eliminate duplicates Z: 14 26.590 2.099 0.835 0.905 1.000 0.615 CA 1.363 14 residues pruned to eliminate duplicates Z: 28 27.040 2.178 0.997 0.523 0.963 0.667 CB 1.214 29 residues pruned to eliminate duplicates Z: 13 17.543 1.932 0.492 0.850 1.000 0.667 CB 1.301 13 residues pruned to eliminate duplicates Z: 18 10.683 1.841 0.255 0.452 0.882 0.529 CB 1.335 18 residues pruned to eliminate duplicates Z: 7 4.328 1.668 0.421 0.530 1.000 0.833 CB 0.724 7 residues pruned to eliminate duplicates Z: 8 6.105 1.751 0.792 0.742 0.429 0.429 CB 1.382 8 residues pruned to eliminate duplicates Z: 37 29.338 2.000 0.953 0.538 0.889 0.667 CB 1.356 37 residues pruned to eliminate duplicates Z: 8 6.640 1.863 0.487 0.335 0.857 0.429 CB 1.265 Z: 19 14.058 1.838 0.591 0.507 0.889 0.500 CB 1.266 15 residues pruned to eliminate duplicates Z: 24 18.589 1.904 0.768 0.484 0.957 0.609 CB 1.224 24 residues pruned to eliminate duplicates Z: 9 7.729 1.568 0.393 0.781 0.875 0.500 CB 1.116 9 residues pruned to eliminate duplicates Z: 15 31.390 2.094 0.868 0.875 1.000 0.786 CB 1.559 15 residues pruned to eliminate duplicates Z: 11 17.353 1.850 0.917 0.868 1.000 0.500 CB 1.132 12 residues pruned to eliminate duplicates Z: 20 18.580 1.910 0.901 0.522 0.842 0.526 CB 1.365 15 residues pruned to eliminate duplicates Z: 7 4.095 1.615 0.828 0.396 0.833 0.333 CB 0.759 7 residues pruned to eliminate duplicates Z: 9 5.145 1.450 0.597 0.618 0.750 0.625 CB 0.938 9 residues pruned to eliminate duplicates Z: 11 6.020 1.768 0.477 0.242 0.800 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 26 23.211 1.985 0.912 0.542 0.880 0.560 CB 1.334 33 residues pruned to eliminate duplicates Z: 7 15.669 2.221 1.150 0.761 0.667 0.333 CA 1.594 7 residues pruned to eliminate duplicates Z: 26 43.064 2.196 1.113 0.657 1.000 0.720 CB 1.605 29 residues pruned to eliminate duplicates Z: 11 5.464 1.684 0.534 0.371 0.800 0.600 CB 0.961 11 residues pruned to eliminate duplicates Z: 15 26.273 2.043 1.054 0.843 0.929 0.714 CA 1.342 15 residues pruned to eliminate duplicates Z: 16 29.104 2.299 0.746 0.799 0.867 0.600 CB 1.662 16 residues pruned to eliminate duplicates Z: 25 17.821 2.099 0.681 0.424 0.833 0.583 CB 1.339 25 residues pruned to eliminate duplicates Z: 7 6.009 1.704 0.848 0.534 0.833 0.833 CB 0.904 Z: 21 28.610 2.288 1.016 0.655 0.800 0.600 CB 1.502 21 residues pruned to eliminate duplicates Z: 12 29.084 2.030 1.155 0.875 1.000 0.636 CB 1.458 12 residues pruned to eliminate duplicates Z: 15 22.262 2.061 0.809 0.889 1.000 0.857 CB 1.149 15 residues pruned to eliminate duplicates Z: 16 31.293 1.988 1.175 0.874 0.933 0.867 CB 1.457 16 residues pruned to eliminate duplicates Z: 13 9.563 1.729 0.541 0.530 0.917 0.583 CB 1.097 13 residues pruned to eliminate duplicates Z: 13 15.776 1.971 1.142 0.481 0.833 0.250 CB 1.319 13 residues pruned to eliminate duplicates Z: 13 25.691 2.195 0.707 0.846 1.000 0.667 CB 1.471 13 residues pruned to eliminate duplicates Z: 15 24.227 1.964 0.789 0.856 0.929 0.643 CB 1.464 15 residues pruned to eliminate duplicates Z: 16 13.172 2.020 0.643 0.462 0.867 0.600 CB 1.229 16 residues pruned to eliminate duplicates Z: 15 17.231 1.936 0.410 0.859 1.000 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 14 23.516 2.060 0.689 0.845 0.923 0.615 CA 1.509 14 residues pruned to eliminate duplicates Z: 11 11.765 1.911 0.903 0.480 0.800 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 15 28.083 2.080 0.861 0.878 0.929 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 14 7.041 1.888 0.703 0.217 0.692 0.308 CB 1.224 14 residues pruned to eliminate duplicates Z: 22 21.755 1.983 0.738 0.617 0.905 0.619 CB 1.363 22 residues pruned to eliminate duplicates Z: 10 4.682 1.705 0.688 0.405 0.667 0.556 CB 0.899 10 residues pruned to eliminate duplicates Z: 13 13.757 2.025 0.482 0.425 1.000 0.500 CB 1.432 12 residues pruned to eliminate duplicates Z: 26 11.099 1.785 0.852 0.365 0.760 0.360 CB 1.022 32 residues pruned to eliminate duplicates Z: 9 10.870 1.845 0.852 0.853 0.875 0.750 CB 0.950 9 residues pruned to eliminate duplicates Z: 13 10.206 1.915 0.519 0.722 0.833 0.583 CB 0.994 13 residues pruned to eliminate duplicates Z: 11 38.293 2.217 1.415 0.884 1.000 0.700 CB 1.634 11 residues pruned to eliminate duplicates Z: 7 6.522 1.710 0.729 0.533 0.667 0.333 O 1.308 7 residues pruned to eliminate duplicates Z: 8 5.877 1.780 0.131 0.681 1.000 0.714 CB 0.934 Z: 17 25.115 2.038 0.754 0.864 0.875 0.688 CB 1.472 17 residues pruned to eliminate duplicates Z: 9 11.320 1.810 0.644 0.838 1.000 0.875 CB 1.005 9 residues pruned to eliminate duplicates Z: 8 4.745 1.689 -0.021 0.508 1.000 0.714 CB 1.076 Z: 12 15.644 1.798 0.804 0.850 1.000 0.727 CB 1.077 12 residues pruned to eliminate duplicates Z: 12 27.784 2.036 1.332 0.864 1.000 0.455 CB 1.294 12 residues pruned to eliminate duplicates Z: 10 9.037 1.781 0.804 0.340 0.778 0.333 CB 1.435 10 residues pruned to eliminate duplicates Z: 19 24.343 1.920 0.845 0.836 0.944 0.778 CB 1.284 19 residues pruned to eliminate duplicates Z: 17 24.595 1.887 0.721 0.883 1.000 0.750 CB 1.369 17 residues pruned to eliminate duplicates Z: 11 28.179 1.996 1.173 0.926 1.000 0.900 CB 1.441 11 residues pruned to eliminate duplicates Z: 15 21.780 1.953 0.863 0.877 0.929 0.500 CA 1.251 15 residues pruned to eliminate duplicates Z: 15 18.704 1.972 0.859 0.537 0.929 0.786 CA 1.416 15 residues pruned to eliminate duplicates Z: 26 23.821 1.933 0.763 0.647 0.920 0.760 CB 1.325 21 residues pruned to eliminate duplicates Z: 13 29.422 2.027 1.004 0.897 1.000 0.833 CA 1.496 13 residues pruned to eliminate duplicates Z: 10 4.255 1.654 0.452 0.365 0.778 0.444 CB 0.877 13 residues pruned to eliminate duplicates Z: 8 7.496 1.809 0.274 0.849 0.714 0.714 CB 1.276 8 residues pruned to eliminate duplicates Z: 13 6.322 1.660 0.422 0.377 0.750 0.500 N 1.175 7 residues pruned to eliminate duplicates Z: 16 27.972 2.086 0.888 0.922 0.933 0.733 CB 1.381 16 residues pruned to eliminate duplicates Z: 11 23.244 2.018 0.995 0.870 1.000 0.900 CA 1.332 11 residues pruned to eliminate duplicates Z: 8 3.187 1.616 0.963 0.259 0.571 0.429 N 0.875 Z: 6 6.710 2.114 -0.002 0.469 1.000 0.600 CB 1.467 Z: 25 22.820 2.006 0.861 0.513 0.917 0.417 CB 1.343 25 residues pruned to eliminate duplicates Z: 14 16.761 1.974 0.616 0.451 0.923 0.462 CB 1.661 14 residues pruned to eliminate duplicates Z: 18 13.629 1.832 0.572 0.494 0.941 0.588 CB 1.227 18 residues pruned to eliminate duplicates Z: 18 10.586 1.929 0.828 0.384 0.765 0.529 CB 1.077 18 residues pruned to eliminate duplicates Z: 11 11.876 1.792 0.945 0.864 1.000 0.500 CB 0.790 11 residues pruned to eliminate duplicates Z: 10 15.396 1.648 1.426 0.769 0.778 0.778 CB 1.301 10 residues pruned to eliminate duplicates Z: 28 21.119 1.884 1.002 0.560 0.852 0.667 CB 1.193 28 residues pruned to eliminate duplicates Z: 9 5.398 1.635 0.793 0.252 0.750 0.500 CB 1.154 Z: 13 15.446 1.864 1.025 0.598 1.000 0.667 CB 1.076 13 residues pruned to eliminate duplicates Z: 10 12.393 1.776 1.246 0.666 0.778 0.333 CB 1.141 10 residues pruned to eliminate duplicates Z: 6 4.119 1.479 0.174 0.657 1.000 0.600 CB 0.918 Z: 7 11.178 2.030 0.954 0.678 0.833 0.500 CB 1.172 7 residues pruned to eliminate duplicates Z: 11 7.878 1.858 0.687 0.398 0.700 0.300 CB 1.265 11 residues pruned to eliminate duplicates Z: 17 11.972 1.819 0.632 0.433 0.812 0.500 CB 1.330 17 residues pruned to eliminate duplicates Z: 9 6.855 1.799 0.636 0.497 0.750 0.500 CB 1.101 9 residues pruned to eliminate duplicates Z: 22 24.559 1.973 0.796 0.660 0.905 0.619 CB 1.441 22 residues pruned to eliminate duplicates Z: 10 5.981 1.628 0.590 0.392 0.778 0.667 CB 1.110 Z: 23 21.427 1.889 1.049 0.453 0.864 0.273 CB 1.433 23 residues pruned to eliminate duplicates Z: 16 21.230 2.000 0.714 0.850 0.867 0.800 CB 1.366 16 residues pruned to eliminate duplicates Z: 12 29.755 2.093 0.985 0.893 1.000 0.727 CA 1.550 12 residues pruned to eliminate duplicates Z: 7 14.053 1.902 0.872 0.828 0.833 0.500 CA 1.456 7 residues pruned to eliminate duplicates Z: 23 21.056 2.036 0.829 0.553 0.864 0.682 CB 1.326 23 residues pruned to eliminate duplicates 6 1.403 1.676 0.477 0.433 0.600 0.600 CB 0.453 ? Z: 25 17.171 1.977 0.748 0.392 0.833 0.375 CB 1.363 25 residues pruned to eliminate duplicates Z: 9 10.810 1.669 0.703 0.821 0.875 0.625 CB 1.164 9 residues pruned to eliminate duplicates Z: 7 3.402 1.856 0.056 0.259 0.667 0.667 CB 1.400 Z: 50 26.468 2.051 0.812 0.453 0.816 0.531 CB 1.307 50 residues pruned to eliminate duplicates Z: 15 10.976 1.868 1.145 0.323 0.857 0.429 CB 1.038 15 residues pruned to eliminate duplicates Z: 11 14.514 1.835 0.483 0.891 0.900 0.800 CB 1.348 11 residues pruned to eliminate duplicates Z: 8 4.630 1.774 0.721 0.317 0.714 0.714 CB 0.982 7 residues pruned to eliminate duplicates Z: 6 6.227 1.491 0.544 0.483 1.000 0.600 CA 1.231 Z: 15 25.564 2.077 0.757 0.863 1.000 0.786 CB 1.374 15 residues pruned to eliminate duplicates Z: 15 8.972 1.764 0.657 0.507 0.714 0.429 CA 1.140 15 residues pruned to eliminate duplicates Z: 17 34.047 2.198 1.063 0.839 0.875 0.688 CA 1.602 17 residues pruned to eliminate duplicates Z: 6 3.400 1.750 0.692 0.295 0.600 0.400 CB 1.076 Z: 51 33.119 2.070 1.041 0.476 0.840 0.640 CB 1.352 51 residues pruned to eliminate duplicates Z: 18 22.291 1.910 0.760 0.818 0.882 0.824 CA 1.383 18 residues pruned to eliminate duplicates Z: 6 3.271 1.670 0.573 0.479 0.600 0.600 CB 0.948 Z: 17 6.859 1.827 0.370 0.248 1.000 0.500 CB 0.916 17 residues pruned to eliminate duplicates Z: 28 18.319 1.904 0.767 0.419 0.926 0.630 CB 1.232 76 residues pruned to eliminate duplicates Z: 22 13.752 1.962 0.610 0.457 0.857 0.429 CB 1.157 22 residues pruned to eliminate duplicates Z: 15 25.096 2.091 0.812 0.848 0.857 0.643 CA 1.532 Z: 11 17.008 1.886 0.509 0.895 1.000 1.000 CB 1.355 11 residues pruned to eliminate duplicates Z: 22 22.716 2.189 1.043 0.459 0.762 0.476 CB 1.517 22 residues pruned to eliminate duplicates Z: 13 27.852 2.080 1.211 0.829 0.917 0.667 CB 1.435 13 residues pruned to eliminate duplicates Z: 9 9.236 1.717 0.498 0.759 0.875 0.500 CB 1.152 9 residues pruned to eliminate duplicates Z: 9 8.958 1.752 0.658 0.889 0.625 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 8 13.339 1.756 0.652 0.891 0.857 0.714 CB 1.457 8 residues pruned to eliminate duplicates Z: 11 8.261 1.839 0.379 0.399 0.800 0.600 CB 1.433 11 residues pruned to eliminate duplicates Z: 13 9.035 1.733 0.738 0.318 0.833 0.667 CB 1.270 14 residues pruned to eliminate duplicates Z: 7 6.921 1.623 0.682 0.793 0.833 0.500 CB 0.961 Z: 13 31.025 2.030 1.305 0.886 0.833 0.583 CB 1.657 13 residues pruned to eliminate duplicates Z: 8 4.449 1.649 -0.103 0.562 0.857 0.571 N 1.249 Z: 17 11.050 1.750 0.881 0.445 0.750 0.625 CB 1.184 Z: 8 8.053 1.886 0.386 0.309 1.000 0.286 N 1.439 8 residues pruned to eliminate duplicates Z: 8 12.308 1.818 0.764 0.572 0.857 0.714 N 1.578 Z: 6 3.650 1.665 0.096 0.677 1.000 0.800 CB 0.760 6 residues pruned to eliminate duplicates Z: 16 17.741 1.821 1.003 0.775 0.800 0.600 CB 1.231 16 residues pruned to eliminate duplicates Z: 29 21.551 1.991 0.775 0.528 0.857 0.357 CB 1.309 29 residues pruned to eliminate duplicates Z: 10 9.714 1.940 0.599 0.287 0.889 0.444 N 1.492 10 residues pruned to eliminate duplicates Z: 12 12.855 1.898 0.582 0.451 0.909 0.727 CB 1.493 12 residues pruned to eliminate duplicates Z: 12 26.839 1.997 1.161 0.888 1.000 0.909 CB 1.350 12 residues pruned to eliminate duplicates Z: 7 5.515 1.617 0.699 0.337 0.833 0.500 N 1.174 Z: 8 10.602 1.997 1.111 0.627 0.714 0.143 CB 1.181 8 residues pruned to eliminate duplicates Z: 14 17.714 1.928 0.743 0.612 1.000 0.692 CB 1.315 14 residues pruned to eliminate duplicates Z: 13 12.720 2.118 0.436 0.428 0.833 0.500 CB 1.562 13 residues pruned to eliminate duplicates Z: 24 39.612 2.274 1.004 0.686 0.957 0.696 CB 1.598 24 residues pruned to eliminate duplicates Z: 7 14.228 1.791 1.084 0.734 0.833 0.667 CB 1.513 7 residues pruned to eliminate duplicates Z: 12 35.654 2.071 1.282 0.910 1.000 0.818 CB 1.614 12 residues pruned to eliminate duplicates Z: 13 23.902 1.970 1.034 0.850 0.833 0.417 CA 1.531 13 residues pruned to eliminate duplicates Z: 7 9.268 1.869 0.489 0.688 0.833 0.167 CB 1.373 7 residues pruned to eliminate duplicates Z: 7 8.260 1.781 0.071 0.687 1.000 0.833 CB 1.490 Z: 22 17.930 1.958 0.890 0.463 0.857 0.476 CB 1.281 22 residues pruned to eliminate duplicates Z: 10 11.355 1.874 1.028 0.455 0.778 0.778 CA 1.340 10 residues pruned to eliminate duplicates Z: 27 17.518 1.999 0.792 0.431 0.731 0.538 CB 1.409 27 residues pruned to eliminate duplicates Z: 20 10.388 1.700 0.635 0.529 0.895 0.632 CB 0.932 18 residues pruned to eliminate duplicates Z: 12 18.842 1.958 0.976 0.680 0.818 0.364 CB 1.520 12 residues pruned to eliminate duplicates Z: 7 4.572 1.584 0.177 0.644 0.833 0.667 CB 1.050 7 residues pruned to eliminate duplicates Z: 11 9.674 1.823 0.465 0.448 0.800 0.600 CA 1.511 11 residues pruned to eliminate duplicates Z: 25 25.143 1.959 1.019 0.566 0.875 0.667 CB 1.391 35 residues pruned to eliminate duplicates Z: 11 17.615 1.858 0.507 0.916 1.000 0.900 CB 1.405 11 residues pruned to eliminate duplicates Z: 28 15.039 1.864 0.716 0.399 0.815 0.519 CB 1.234 28 residues pruned to eliminate duplicates Z: 12 17.585 1.744 0.907 0.877 1.000 0.727 CB 1.157 12 residues pruned to eliminate duplicates Z: 9 18.899 1.895 1.014 0.809 1.000 1.000 CA 1.338 9 residues pruned to eliminate duplicates Z: 13 10.090 1.969 0.690 0.470 0.833 0.667 CB 1.082 13 residues pruned to eliminate duplicates Z: 13 20.824 2.097 0.997 0.902 0.917 0.750 CB 1.117 13 residues pruned to eliminate duplicates Z: 9 3.250 1.814 0.377 0.173 0.625 0.375 CB 1.093 Z: 27 22.856 2.049 0.706 0.403 0.923 0.346 CB 1.539 26 residues pruned to eliminate duplicates Z: 11 7.845 1.739 0.390 0.415 0.900 0.500 O 1.246 Z: 8 8.665 1.821 0.878 0.515 0.714 0.429 CB 1.321 8 residues pruned to eliminate duplicates Z: 7 5.878 1.550 0.732 0.678 0.667 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 10 9.624 1.825 0.871 0.416 0.778 0.444 N 1.320 Z: 6 3.338 1.478 0.734 0.471 0.600 0.400 O 0.999 Z: 11 4.480 1.629 0.450 0.228 0.800 0.200 N 1.030 Z: 6 6.162 1.671 0.269 0.832 0.800 0.600 CB 1.220 6 residues pruned to eliminate duplicates Z: 7 6.353 1.625 0.412 0.555 1.000 0.667 CB 1.071 Z: 8 8.465 1.644 0.489 0.574 1.000 1.000 CB 1.217 Z: 13 19.827 2.060 0.666 0.899 0.917 0.833 CB 1.300 13 residues pruned to eliminate duplicates Z: 51 42.087 2.183 1.056 0.475 0.900 0.480 CB 1.512 54 residues pruned to eliminate duplicates Z: 20 9.998 1.783 0.773 0.285 0.789 0.421 CB 1.170 20 residues pruned to eliminate duplicates Z: 12 16.839 1.796 0.812 0.886 0.909 0.727 CB 1.238 12 residues pruned to eliminate duplicates Z: 14 23.692 2.093 0.916 0.874 0.923 0.692 CB 1.292 14 residues pruned to eliminate duplicates Z: 23 21.186 2.003 0.584 0.676 0.909 0.682 CB 1.332 23 residues pruned to eliminate duplicates Z: 7 6.989 1.731 0.658 0.542 0.833 0.667 N 1.145 Z: 16 13.712 1.946 0.755 0.596 0.733 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 9 6.575 1.654 0.524 0.410 0.875 0.500 CB 1.158 8 residues pruned to eliminate duplicates Z: 11 19.949 1.918 1.050 0.853 1.000 0.400 CB 1.185 11 residues pruned to eliminate duplicates Z: 7 4.028 1.474 0.481 0.396 0.833 0.667 CB 1.010 Z: 16 23.779 2.016 0.555 0.856 0.933 0.600 CA 1.548 16 residues pruned to eliminate duplicates Z: 19 33.153 2.033 1.301 0.583 1.000 0.667 CA 1.542 19 residues pruned to eliminate duplicates Z: 13 19.176 1.761 0.795 0.861 1.000 0.750 CB 1.287 13 residues pruned to eliminate duplicates Z: 9 7.199 1.834 0.507 0.497 0.750 0.625 CB 1.231 9 residues pruned to eliminate duplicates Z: 11 8.793 1.710 0.879 0.496 1.000 0.300 CB 0.869 11 residues pruned to eliminate duplicates Z: 6 7.298 1.804 0.448 0.659 0.800 0.600 CB 1.348 6 residues pruned to eliminate duplicates Z: 14 14.728 1.647 1.031 0.817 0.923 0.538 CB 1.005 14 residues pruned to eliminate duplicates Z: 8 10.127 1.846 1.134 0.689 0.714 0.714 CA 1.144 8 residues pruned to eliminate duplicates Z: 12 25.901 2.198 1.082 0.935 1.000 0.727 CB 1.189 12 residues pruned to eliminate duplicates Z: 13 19.213 2.101 0.690 0.672 0.917 0.750 CB 1.454 13 residues pruned to eliminate duplicates Z: 10 13.748 1.906 0.896 0.493 0.889 0.556 CA 1.437 16 residues pruned to eliminate duplicates Z: 15 28.916 2.023 0.826 0.862 1.000 1.000 CA 1.536 15 residues pruned to eliminate duplicates Z: 8 2.766 1.599 0.227 0.335 0.714 0.571 CB 0.894 12 residues pruned to eliminate duplicates Z: 15 11.642 2.195 0.341 0.354 0.857 0.714 CB 1.444 15 residues pruned to eliminate duplicates Z: 12 32.875 2.080 1.178 0.905 0.909 0.727 CA 1.713 12 residues pruned to eliminate duplicates Z: 32 19.260 1.948 0.684 0.385 0.903 0.484 CB 1.319 46 residues pruned to eliminate duplicates Z: 21 13.483 1.852 0.694 0.425 0.800 0.350 CB 1.299 21 residues pruned to eliminate duplicates Z: 17 15.583 2.128 0.972 0.224 0.812 0.438 CA 1.578 17 residues pruned to eliminate duplicates Z: 16 4.907 1.735 0.357 0.311 0.667 0.333 CB 0.995 16 residues pruned to eliminate duplicates Z: 19 8.032 1.949 0.565 0.293 0.778 0.333 CB 1.007 19 residues pruned to eliminate duplicates Z: 12 10.355 1.915 0.473 0.664 0.727 0.273 CB 1.308 10 residues pruned to eliminate duplicates Z: 13 13.200 1.617 0.524 0.891 1.000 0.833 CA 1.112 13 residues pruned to eliminate duplicates Z: 9 3.894 1.738 0.079 0.360 0.750 0.500 CB 1.138 Z: 15 18.401 1.873 0.867 0.841 0.929 0.714 CB 1.129 15 residues pruned to eliminate duplicates Z: 16 28.799 1.927 1.025 0.862 1.000 0.600 CB 1.399 16 residues pruned to eliminate duplicates Z: 18 8.862 1.730 0.463 0.447 0.765 0.412 CB 1.172 17 residues pruned to eliminate duplicates Z: 24 17.666 1.947 0.692 0.594 0.870 0.826 CB 1.175 46 residues pruned to eliminate duplicates Z: 16 16.169 1.969 1.015 0.340 0.933 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 13 7.063 1.895 0.461 0.243 0.833 0.417 CB 1.189 13 residues pruned to eliminate duplicates Z: 18 20.006 2.009 0.996 0.464 0.882 0.529 CB 1.422 18 residues pruned to eliminate duplicates Z: 8 12.911 1.822 1.515 0.602 0.857 0.857 CB 1.128 9 residues pruned to eliminate duplicates Z: 17 23.934 1.980 0.894 0.797 1.000 0.875 CB 1.230 17 residues pruned to eliminate duplicates Z: 7 5.357 1.829 0.283 0.544 0.833 0.500 CB 1.071 7 residues pruned to eliminate duplicates Z: 10 7.262 1.576 0.561 0.520 0.889 0.556 CB 1.086 10 residues pruned to eliminate duplicates Z: 17 11.130 1.929 0.799 0.489 0.812 0.500 CB 0.999 24 residues pruned to eliminate duplicates Z: 28 19.437 1.851 0.630 0.611 0.852 0.667 CB 1.310 28 residues pruned to eliminate duplicates Z: 6 5.036 1.619 0.834 0.323 0.800 0.600 N 1.151 Z: 6 5.589 1.566 0.694 0.295 1.000 0.800 CA 1.185 Z: 19 22.243 1.994 0.995 0.525 0.833 0.500 CB 1.543 18 residues pruned to eliminate duplicates Z: 20 23.906 1.922 1.046 0.505 0.947 0.579 CB 1.464 20 residues pruned to eliminate duplicates Z: 9 3.290 1.697 0.587 0.272 0.750 0.375 CB 0.746 Z: 13 8.777 1.939 0.546 0.493 0.917 0.667 CB 0.928 13 residues pruned to eliminate duplicates Z: 18 19.258 1.982 1.069 0.505 0.882 0.353 CB 1.284 18 residues pruned to eliminate duplicates Z: 14 10.608 1.875 0.964 0.381 0.769 0.615 CB 1.179 14 residues pruned to eliminate duplicates Z: 14 11.758 1.996 1.014 0.375 0.846 0.615 CB 1.096 25 residues pruned to eliminate duplicates Z: 9 4.090 1.633 0.123 0.547 1.000 0.625 CB 0.753 6 residues pruned to eliminate duplicates Z: 11 20.779 1.862 1.278 0.914 1.000 0.600 CB 1.096 16 residues pruned to eliminate duplicates Z: 17 21.757 1.999 0.435 0.891 1.000 0.750 CB 1.362 17 residues pruned to eliminate duplicates Z: 14 24.244 2.099 0.693 0.816 0.923 0.692 CB 1.558 14 residues pruned to eliminate duplicates Z: 9 12.577 1.763 0.612 0.849 1.000 0.625 CB 1.159 9 residues pruned to eliminate duplicates Z: 54 40.398 2.118 1.008 0.523 0.887 0.491 CB 1.438 54 residues pruned to eliminate duplicates Z: 27 13.889 1.803 0.707 0.360 0.808 0.462 CB 1.275 27 residues pruned to eliminate duplicates Z: 7 8.308 1.805 0.813 0.650 0.833 0.833 CB 1.081 7 residues pruned to eliminate duplicates Z: 14 7.144 1.801 0.795 0.302 0.769 0.462 CB 0.994 14 residues pruned to eliminate duplicates Z: 7 2.369 1.392 0.110 0.325 0.833 0.833 N 0.911 Z: 12 22.232 1.942 0.920 0.840 1.000 0.727 CA 1.343 12 residues pruned to eliminate duplicates 6 1.826 1.495 0.498 0.100 0.600 0.400 CB 1.012 ? Z: 7 3.242 1.502 0.343 0.797 0.667 0.500 O 0.759 Z: 14 19.130 1.913 1.349 0.582 0.769 0.385 CB 1.419 14 residues pruned to eliminate duplicates Z: 9 21.639 1.911 1.313 0.696 1.000 0.625 CA 1.447 Z: 19 15.284 1.880 0.621 0.595 0.944 0.722 CB 1.142 19 residues pruned to eliminate duplicates Z: 27 39.915 2.228 0.893 0.653 0.923 0.769 CA 1.744 27 residues pruned to eliminate duplicates Z: 6 3.802 1.542 0.095 0.759 1.000 0.800 CB 0.800 Z: 9 16.296 1.800 0.970 0.866 1.000 0.375 CB 1.189 9 residues pruned to eliminate duplicates Z: 16 9.684 1.765 0.978 0.449 0.800 0.533 CB 0.943 Z: 18 6.086 1.773 0.511 0.219 0.765 0.294 CB 1.003 18 residues pruned to eliminate duplicates Z: 29 23.331 1.971 0.863 0.573 0.821 0.500 CB 1.362 29 residues pruned to eliminate duplicates Z: 16 32.671 2.062 1.001 0.897 1.000 0.867 CB 1.463 16 residues pruned to eliminate duplicates Z: 6 3.811 1.638 0.250 0.278 0.800 0.400 CB 1.338 Z: 24 23.568 1.957 0.930 0.484 0.826 0.565 CB 1.601 24 residues pruned to eliminate duplicates Z: 10 4.580 1.442 0.421 0.436 0.889 0.444 N 0.896 Z: 7 10.826 1.817 0.445 0.874 0.833 0.333 CB 1.470 7 residues pruned to eliminate duplicates Z: 7 3.248 1.641 0.260 0.410 0.667 0.667 CB 1.056 7 residues pruned to eliminate duplicates Z: 17 28.115 1.971 0.985 0.894 0.875 0.688 CB 1.474 17 residues pruned to eliminate duplicates Z: 6 3.903 1.500 0.417 0.610 0.800 0.600 CA 0.925 Z: 6 8.010 1.923 0.433 0.618 0.800 0.800 CA 1.453 6 residues pruned to eliminate duplicates Z: 15 28.367 2.016 1.113 0.719 0.929 0.786 CB 1.572 15 residues pruned to eliminate duplicates Z: 10 2.693 1.295 0.426 0.201 0.667 0.333 CA 1.040 Z: 32 18.678 2.020 0.622 0.490 0.839 0.645 CB 1.233 32 residues pruned to eliminate duplicates Z: 14 6.925 1.957 0.854 0.370 0.769 0.308 CB 0.791 Z: 9 7.308 1.702 0.235 0.873 0.750 0.625 CB 1.194 9 residues pruned to eliminate duplicates Z: 7 4.895 1.499 0.365 0.532 0.833 0.500 N 1.136 Z: 7 12.231 1.821 0.292 0.890 1.000 0.667 CB 1.527 7 residues pruned to eliminate duplicates Z: 11 3.670 1.738 0.138 0.295 0.700 0.400 CB 1.054 Z: 22 18.397 1.905 0.768 0.575 0.810 0.476 CB 1.368 22 residues pruned to eliminate duplicates Z: 10 12.104 1.855 0.656 0.640 0.889 0.556 CB 1.296 Z: 6 3.510 1.734 0.309 0.362 0.800 0.400 CB 1.004 6 residues pruned to eliminate duplicates Z: 6 3.119 1.635 -0.106 0.611 0.800 0.600 CB 1.073 Z: 46 32.916 2.078 0.922 0.506 0.867 0.578 CB 1.409 36 residues pruned to eliminate duplicates Z: 8 8.844 1.891 0.262 0.829 0.714 0.571 CB 1.475 18 residues pruned to eliminate duplicates Z: 9 9.665 1.844 0.527 0.464 0.875 0.625 CB 1.438 9 residues pruned to eliminate duplicates Z: 29 19.630 1.980 0.807 0.420 0.821 0.429 CB 1.373 29 residues pruned to eliminate duplicates Z: 9 8.281 2.175 0.269 0.346 0.875 0.375 CB 1.434 9 residues pruned to eliminate duplicates Z: 16 8.368 1.964 0.241 0.378 0.867 0.600 CB 1.165 17 residues pruned to eliminate duplicates Z: 15 11.182 1.896 0.407 0.422 1.000 0.714 CB 1.214 15 residues pruned to eliminate duplicates Z: 9 8.245 1.557 0.583 0.742 0.875 0.625 CB 1.089 9 residues pruned to eliminate duplicates Z: 13 11.931 1.717 0.870 0.580 0.750 0.500 N 1.324 13 residues pruned to eliminate duplicates Z: 6 4.641 1.407 0.361 0.483 1.000 0.800 CA 1.103 Z: 6 6.225 1.476 0.726 0.838 1.000 0.600 CA 0.817 6 residues pruned to eliminate duplicates Z: 22 21.704 1.913 1.087 0.526 0.905 0.667 CB 1.278 40 residues pruned to eliminate duplicates Z: 18 13.640 1.801 0.881 0.411 0.824 0.412 CB 1.302 19 residues pruned to eliminate duplicates Z: 12 9.947 1.932 0.608 0.675 0.818 0.727 CB 1.005 12 residues pruned to eliminate duplicates Z: 13 30.299 2.128 1.215 0.864 1.000 0.583 CB 1.361 13 residues pruned to eliminate duplicates Z: 9 4.146 1.525 0.379 0.205 0.875 0.375 CB 1.130 Z: 16 23.320 2.071 0.715 0.825 0.867 0.533 CB 1.476 16 residues pruned to eliminate duplicates Z: 6 5.546 1.380 1.055 0.553 1.000 0.600 N 0.830 9 1.530 1.465 0.361 0.260 0.500 0.250 N 0.714 ? Z: 33 16.870 1.880 0.808 0.403 0.781 0.562 CB 1.244 33 residues pruned to eliminate duplicates Z: 6 5.232 1.977 0.234 0.232 0.800 0.800 CA 1.638 6 residues pruned to eliminate duplicates Z: 7 5.850 1.757 1.598 0.685 0.833 0.833 CB 0.530 Z: 50 48.831 2.049 1.029 0.611 0.980 0.653 CB 1.542 50 residues pruned to eliminate duplicates Z: 30 23.769 1.993 0.698 0.573 0.931 0.552 CB 1.306 30 residues pruned to eliminate duplicates Z: 14 21.140 1.826 0.866 0.767 1.000 0.462 CB 1.359 14 residues pruned to eliminate duplicates Z: 14 5.508 1.587 0.321 0.328 0.769 0.462 CB 1.144 9 residues pruned to eliminate duplicates Z: 10 3.043 1.646 0.063 0.266 0.889 0.444 N 0.851 Z: 6 6.828 1.321 1.316 0.800 1.000 0.800 O 0.768 Z: 9 4.721 2.043 0.353 0.315 0.500 0.375 CB 1.483 9 residues pruned to eliminate duplicates Z: 7 5.146 1.392 0.625 0.817 0.667 0.333 C 1.058 Z: 11 26.015 2.172 0.995 0.914 1.000 0.800 CB 1.342 11 residues pruned to eliminate duplicates Z: 26 21.764 1.906 1.036 0.385 0.840 0.400 CB 1.510 26 residues pruned to eliminate duplicates Z: 13 4.643 1.799 0.390 0.280 0.833 0.333 CB 0.825 13 residues pruned to eliminate duplicates Z: 13 7.488 1.823 0.749 0.421 0.667 0.500 N 1.103 20 residues pruned to eliminate duplicates Z: 11 7.770 1.671 0.597 0.459 0.800 0.700 CB 1.199 Z: 15 29.538 2.013 1.260 0.825 0.929 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 7 2.502 1.556 0.128 0.429 0.667 0.333 C 0.940 Z: 9 2.149 1.653 -0.019 0.345 0.875 0.375 CB 0.633 Z: 10 11.907 1.818 0.350 0.875 1.000 1.000 CA 1.176 11 residues pruned to eliminate duplicates Z: 8 6.635 1.746 0.128 0.635 1.000 0.714 CA 1.123 Z: 10 10.217 1.905 0.676 0.422 0.889 0.778 CB 1.301 10 residues pruned to eliminate duplicates Z: 9 5.077 1.804 0.444 0.385 0.750 0.250 CB 1.038 15 residues pruned to eliminate duplicates Z: 16 15.200 1.881 0.556 0.829 0.933 0.867 CA 1.081 16 residues pruned to eliminate duplicates Z: 9 4.844 1.628 0.725 0.588 1.000 0.625 CA 0.561 Z: 14 18.169 2.112 0.852 0.371 0.846 0.538 CA 1.747 14 residues pruned to eliminate duplicates Z: 7 3.087 1.639 0.154 0.285 0.667 0.333 N 1.273 6 residues pruned to eliminate duplicates Z: 12 8.993 1.905 0.655 0.271 0.818 0.364 CB 1.363 12 residues pruned to eliminate duplicates Z: 19 25.217 2.067 0.696 0.654 1.000 0.778 CA 1.468 19 residues pruned to eliminate duplicates 7 1.748 1.631 0.062 0.373 0.833 0.500 CB 0.566 ? Z: 9 20.087 1.928 0.900 0.674 1.000 0.750 CB 1.652 9 residues pruned to eliminate duplicates Z: 6 3.263 1.374 0.831 0.294 0.800 0.400 N 0.913 Z: 9 5.779 1.613 0.394 0.505 0.750 0.625 CB 1.206 Z: 7 5.333 1.773 0.842 0.327 0.667 0.667 CB 1.210 Z: 10 15.693 1.866 1.039 0.540 1.000 0.667 CA 1.322 Z: 13 24.966 1.809 1.190 0.907 0.917 0.750 CB 1.411 13 residues pruned to eliminate duplicates Z: 11 6.670 1.537 0.813 0.445 0.800 0.700 N 1.002 9 residues pruned to eliminate duplicates Z: 36 31.983 2.012 1.012 0.514 0.971 0.714 CB 1.356 36 residues pruned to eliminate duplicates Z: 6 3.277 1.499 0.040 0.321 1.000 0.800 CA 1.144 Z: 24 19.681 1.994 0.902 0.416 0.913 0.478 CB 1.294 24 residues pruned to eliminate duplicates Z: 8 3.947 1.529 0.864 0.296 0.714 0.429 CA 0.921 Z: 16 12.986 1.631 1.012 0.445 0.867 0.667 CA 1.248 16 residues pruned to eliminate duplicates Z: 31 29.900 1.941 0.856 0.652 0.900 0.667 CB 1.461 46 residues pruned to eliminate duplicates Z: 7 5.354 1.967 0.325 0.265 0.833 0.500 CA 1.315 7 residues pruned to eliminate duplicates 6 1.958 0.980 0.773 0.536 0.800 0.600 N 0.608 ? Z: 15 18.509 1.924 0.587 0.859 0.929 0.929 CB 1.284 15 residues pruned to eliminate duplicates Z: 12 3.611 1.676 0.313 0.282 0.727 0.273 CB 0.870 Z: 20 20.065 2.070 0.647 0.638 0.842 0.737 CA 1.409 7 residues pruned to eliminate duplicates Z: 15 30.262 2.075 1.037 0.862 1.000 0.786 CB 1.404 17 residues pruned to eliminate duplicates Z: 19 7.278 1.766 0.523 0.518 0.667 0.556 CB 0.940 28 residues pruned to eliminate duplicates Z: 29 25.910 2.059 0.670 0.548 0.893 0.643 CB 1.523 29 residues pruned to eliminate duplicates Z: 13 11.580 1.884 0.465 0.485 0.917 0.750 CB 1.342 13 residues pruned to eliminate duplicates Z: 9 12.515 1.638 0.630 0.856 1.000 0.750 CB 1.222 11 residues pruned to eliminate duplicates Z: 6 9.800 1.717 0.871 0.835 0.800 0.800 CB 1.278 14 residues pruned to eliminate duplicates Z: 7 8.620 2.029 0.477 0.494 0.833 0.667 CA 1.418 7 residues pruned to eliminate duplicates Z: 17 14.721 2.053 0.697 0.320 0.875 0.500 CB 1.472 17 residues pruned to eliminate duplicates Z: 6 14.925 2.034 1.089 0.755 1.000 0.800 CB 1.252 6 residues pruned to eliminate duplicates Z: 20 19.382 2.047 1.029 0.355 0.789 0.474 CA 1.586 20 residues pruned to eliminate duplicates Z: 37 34.768 2.132 1.105 0.544 0.944 0.556 CB 1.310 37 residues pruned to eliminate duplicates Z: 15 5.011 1.679 0.533 0.177 0.714 0.357 CB 1.076 Z: 13 7.840 1.751 0.577 0.452 0.667 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 24 28.672 2.136 1.069 0.562 0.957 0.478 CB 1.332 24 residues pruned to eliminate duplicates Z: 16 24.838 2.050 0.645 0.844 1.000 0.667 CB 1.416 15 residues pruned to eliminate duplicates Z: 15 19.106 1.904 0.924 0.876 0.929 0.714 CB 1.091 15 residues pruned to eliminate duplicates Z: 15 20.291 1.928 0.814 0.691 0.929 0.714 CB 1.402 15 residues pruned to eliminate duplicates Z: 17 23.927 1.886 0.965 0.848 0.938 0.688 CA 1.277 17 residues pruned to eliminate duplicates 6 1.298 1.240 0.596 0.292 0.600 0.400 N 0.617 ? Z: 6 2.070 1.697 0.489 0.411 0.400 0.400 N 1.005 6 residues pruned to eliminate duplicates Z: 12 6.489 1.658 0.904 0.261 0.727 0.182 CB 1.120 10 residues pruned to eliminate duplicates Z: 10 15.843 1.849 0.740 0.859 1.000 0.778 CB 1.208 10 residues pruned to eliminate duplicates Z: 6 10.084 1.890 0.698 0.869 0.800 0.600 CB 1.283 6 residues pruned to eliminate duplicates Z: 6 9.026 1.833 0.277 0.828 1.000 1.000 CA 1.299 6 residues pruned to eliminate duplicates Z: 30 22.030 1.834 0.940 0.472 0.897 0.552 CB 1.319 30 residues pruned to eliminate duplicates Z: 19 12.816 1.736 0.682 0.455 0.889 0.500 CB 1.218 19 residues pruned to eliminate duplicates Z: 15 17.294 1.946 0.674 0.877 0.929 0.500 CB 1.109 15 residues pruned to eliminate duplicates Z: 7 2.991 1.405 0.696 0.390 0.500 0.500 O 1.151 Z: 8 2.893 1.389 0.698 0.346 0.714 0.571 CB 0.767 8 residues pruned to eliminate duplicates Z: 15 31.909 2.043 1.141 0.902 1.000 0.786 CB 1.391 15 residues pruned to eliminate duplicates Z: 35 25.601 1.993 0.958 0.497 0.853 0.559 CB 1.322 52 residues pruned to eliminate duplicates Z: 6 2.432 1.452 0.058 0.351 0.800 0.600 CB 1.041 Z: 17 23.841 2.057 0.860 0.564 0.938 0.562 CA 1.562 17 residues pruned to eliminate duplicates Z: 30 26.819 2.123 1.025 0.495 0.931 0.655 CB 1.251 30 residues pruned to eliminate duplicates Z: 6 5.834 1.653 0.115 0.688 1.000 1.000 O 1.191 6 residues pruned to eliminate duplicates Z: 18 14.534 1.705 0.543 0.470 0.941 0.471 O 1.468 8 residues pruned to eliminate duplicates Z: 10 22.959 1.961 1.128 0.906 1.000 0.778 CB 1.304 12 residues pruned to eliminate duplicates Z: 11 14.451 1.954 0.767 0.870 1.000 0.700 CB 0.966 11 residues pruned to eliminate duplicates Z: 7 5.008 1.787 0.719 0.435 0.833 0.833 CB 0.854 8 residues pruned to eliminate duplicates Z: 16 10.974 1.808 0.714 0.454 0.867 0.467 CB 1.106 16 residues pruned to eliminate duplicates Z: 29 32.294 2.111 0.944 0.573 0.964 0.571 CB 1.438 28 residues pruned to eliminate duplicates Z: 17 19.064 1.978 0.672 0.545 0.938 0.625 CA 1.471 17 residues pruned to eliminate duplicates Z: 6 5.718 1.494 0.541 0.608 0.800 0.600 C 1.253 Z: 13 2.161 1.502 0.345 0.250 0.500 0.417 CB 0.823 Z: 6 18.356 1.890 1.232 0.849 1.000 1.000 CB 1.443 6 residues pruned to eliminate duplicates Z: 7 5.042 1.681 0.494 0.628 0.667 0.500 CB 1.089 7 residues pruned to eliminate duplicates Z: 7 2.119 1.528 -0.043 0.240 1.000 0.667 CB 0.799 Z: 17 20.828 1.953 1.247 0.489 0.750 0.562 CA 1.600 17 residues pruned to eliminate duplicates Z: 11 19.985 1.982 1.121 0.803 0.900 0.800 CB 1.282 11 residues pruned to eliminate duplicates Z: 21 15.013 1.932 0.650 0.464 0.900 0.600 CB 1.213 21 residues pruned to eliminate duplicates Z: 8 5.224 1.452 0.328 0.353 1.000 0.571 N 1.200 8 residues pruned to eliminate duplicates Z: 35 24.900 1.956 0.818 0.461 0.853 0.559 CB 1.465 35 residues pruned to eliminate duplicates 729 residues left after pruning, divided into chains as follows: A: 23 B: 8 C: 97 D: 29 E: 7 F: 11 G: 6 H: 39 I: 130 J: 11 K: 10 L: 25 M: 7 N: 28 O: 20 P: 99 Q: 85 R: 6 S: 11 T: 50 U: 14 V: 13 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.68 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.731, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.872, Connect. = 0.759 for dens.mod. cycle 2 = 0.300, Contrast = 1.048, Connect. = 0.788 for dens.mod. cycle 3 = 0.300, Contrast = 1.085, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 1.113, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 1.124, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 1.133, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 1.135, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 1.136, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 1.134, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5322 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1047 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 43.814 2.613 0.730 0.879 0.933 0.800 CA 1.945 B: 12 47.650 2.461 1.192 0.924 1.000 1.000 CA 1.870 C: 13 39.960 2.429 1.139 0.928 0.917 0.583 CB 1.696 D: 11 50.825 2.619 1.223 0.936 1.000 0.900 CA 1.923 11 residues pruned to eliminate duplicates E: 10 51.657 2.640 1.345 0.922 1.000 0.444 CB 1.957 12 residues pruned to eliminate duplicates F: 14 22.061 2.201 0.892 0.548 0.846 0.538 CB 1.658 G: 10 25.925 2.441 0.961 0.639 0.889 0.333 CB 1.783 H: 16 41.338 2.441 1.210 0.880 0.933 0.667 CB 1.536 I: 17 37.552 2.369 1.028 0.867 0.938 0.562 CB 1.525 17 residues pruned to eliminate duplicates J: 14 35.067 2.257 0.761 0.930 1.000 0.923 CB 1.711 12 residues pruned to eliminate duplicates K: 10 29.224 2.418 1.125 0.728 0.889 0.667 CA 1.737 10 residues pruned to eliminate duplicates L: 19 40.771 2.294 1.095 0.869 0.889 0.556 CB 1.643 18 residues pruned to eliminate duplicates M: 12 26.567 2.431 1.041 0.608 0.818 0.182 CB 1.781 10 residues pruned to eliminate duplicates N: 13 36.248 2.272 1.215 0.869 0.917 0.917 CB 1.658 O: 19 20.784 2.339 0.660 0.341 0.889 0.611 CB 1.687 P: 18 32.602 2.294 0.981 0.802 0.824 0.588 CA 1.623 18 residues pruned to eliminate duplicates Q: 14 28.436 2.217 0.799 0.821 0.923 0.769 CB 1.621 14 residues pruned to eliminate duplicates R: 16 42.987 2.583 0.868 0.870 0.867 0.800 CA 1.937 16 residues pruned to eliminate duplicates S: 16 41.608 2.440 0.935 0.892 1.000 0.733 CB 1.635 16 residues pruned to eliminate duplicates T: 16 44.811 2.444 1.064 0.896 1.000 0.867 CB 1.644 16 residues pruned to eliminate duplicates U: 15 33.694 2.272 0.761 0.876 1.000 0.786 CB 1.636 V: 7 10.668 1.656 0.957 0.602 1.000 0.500 CA 1.220 W: 6 9.556 1.941 0.555 0.869 1.000 0.800 CA 1.034 X: 16 40.643 2.479 0.741 0.799 0.933 0.533 CA 2.005 17 residues pruned to eliminate duplicates Y: 17 50.706 2.472 1.150 0.852 0.938 0.625 CA 1.882 16 residues pruned to eliminate duplicates Z: 12 28.181 2.360 0.586 0.914 1.000 0.818 CB 1.606 Z: 37 42.034 2.337 0.981 0.510 0.972 0.667 CB 1.542 12 residues pruned to eliminate duplicates Z: 11 30.590 2.428 0.634 0.922 1.000 1.000 CB 1.715 11 residues pruned to eliminate duplicates Z: 25 16.497 2.203 0.579 0.364 0.792 0.417 CB 1.416 Z: 15 38.560 2.337 1.018 0.909 0.929 0.786 CA 1.669 14 residues pruned to eliminate duplicates Z: 15 32.718 2.281 0.801 0.883 1.000 0.786 CB 1.539 15 residues pruned to eliminate duplicates Z: 13 30.417 2.303 1.090 0.877 0.833 0.833 CA 1.589 13 residues pruned to eliminate duplicates Z: 14 34.413 2.283 1.037 0.820 1.000 0.769 CA 1.554 14 residues pruned to eliminate duplicates Z: 13 14.284 2.235 0.590 0.392 0.833 0.417 CB 1.562 Z: 15 22.365 2.256 0.666 0.857 0.786 0.500 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 46.693 2.641 0.690 0.870 1.000 0.800 CA 1.971 16 residues pruned to eliminate duplicates Z: 38 45.989 2.208 1.173 0.588 0.865 0.622 CB 1.675 30 residues pruned to eliminate duplicates Z: 15 39.276 2.296 1.249 0.902 0.929 0.643 CA 1.563 15 residues pruned to eliminate duplicates Z: 15 38.215 2.241 1.177 0.919 0.929 0.714 CB 1.589 Z: 21 19.842 2.198 0.484 0.373 0.900 0.600 CB 1.731 Z: 11 31.358 2.242 0.648 0.931 1.000 1.000 CA 1.875 Z: 9 24.264 2.252 1.097 0.557 1.000 0.500 CA 1.717 9 residues pruned to eliminate duplicates Z: 15 28.446 2.260 0.787 0.877 0.929 0.714 CA 1.472 15 residues pruned to eliminate duplicates Z: 12 34.411 2.442 0.899 0.906 1.000 0.727 CB 1.592 12 residues pruned to eliminate duplicates Z: 12 31.858 2.401 0.527 0.863 1.000 0.818 CA 1.923 12 residues pruned to eliminate duplicates Z: 15 35.299 2.328 0.822 0.917 1.000 0.643 CB 1.570 Z: 24 15.727 2.209 0.563 0.375 0.783 0.522 CB 1.388 23 residues pruned to eliminate duplicates Z: 12 18.930 1.995 0.712 0.886 0.909 0.636 CB 1.326 Z: 17 40.700 2.372 1.159 0.911 0.938 0.875 CB 1.502 17 residues pruned to eliminate duplicates Z: 70 56.389 2.346 0.963 0.465 0.870 0.507 CB 1.757 Z: 14 17.291 2.218 0.725 0.383 0.923 0.538 CA 1.537 Z: 7 20.462 2.602 1.134 0.681 0.667 0.500 CA 1.911 Z: 13 42.584 2.379 1.130 0.880 0.917 0.917 N 1.919 13 residues pruned to eliminate duplicates Z: 13 41.686 2.358 1.353 0.844 0.917 0.750 CA 1.760 13 residues pruned to eliminate duplicates Z: 14 28.896 2.107 0.935 0.805 0.923 0.692 CB 1.632 11 residues pruned to eliminate duplicates Z: 25 28.035 2.258 0.998 0.438 0.833 0.583 CB 1.622 Z: 34 23.310 2.079 0.959 0.393 0.818 0.485 CB 1.364 27 residues pruned to eliminate duplicates Z: 13 33.843 2.409 0.862 0.904 1.000 0.833 CB 1.551 13 residues pruned to eliminate duplicates Z: 66 48.776 2.230 0.943 0.536 0.877 0.554 CB 1.537 16 residues pruned to eliminate duplicates Z: 13 21.837 2.019 0.723 0.836 0.917 0.833 CB 1.479 13 residues pruned to eliminate duplicates Z: 17 30.172 2.207 0.712 0.874 0.875 0.750 CA 1.660 17 residues pruned to eliminate duplicates Z: 41 21.165 2.156 0.563 0.368 0.800 0.500 CB 1.431 42 residues pruned to eliminate duplicates Z: 13 43.206 2.325 1.609 0.905 0.833 0.583 CA 1.756 13 residues pruned to eliminate duplicates Z: 12 18.577 2.164 0.774 0.624 0.818 0.636 CA 1.586 12 residues pruned to eliminate duplicates Z: 15 34.854 2.366 1.063 0.866 0.929 0.786 CA 1.505 15 residues pruned to eliminate duplicates Z: 12 35.946 2.386 0.989 0.917 0.909 0.727 CB 1.774 12 residues pruned to eliminate duplicates Z: 17 32.179 2.329 1.030 0.891 0.875 0.812 CB 1.398 17 residues pruned to eliminate duplicates Z: 10 7.014 2.125 0.774 0.221 0.667 0.333 CB 1.291 10 residues pruned to eliminate duplicates Z: 18 22.908 2.227 0.748 0.364 0.941 0.353 CB 1.755 Z: 17 49.669 2.466 1.041 0.881 0.938 0.812 CB 1.906 17 residues pruned to eliminate duplicates Z: 16 22.822 2.212 0.831 0.576 0.867 0.400 CB 1.560 Z: 37 36.208 2.253 0.997 0.418 0.861 0.556 CB 1.696 21 residues pruned to eliminate duplicates Z: 13 22.349 2.007 0.632 0.860 0.917 0.750 CB 1.579 Z: 17 42.971 2.239 1.072 0.881 1.000 0.750 CA 1.676 17 residues pruned to eliminate duplicates Z: 17 9.382 2.097 0.930 0.322 0.812 0.438 CB 0.868 17 residues pruned to eliminate duplicates Z: 12 47.855 2.395 1.600 0.943 1.000 0.545 CB 1.606 11 residues pruned to eliminate duplicates Z: 16 25.997 2.269 0.771 0.539 0.933 0.667 CB 1.723 26 residues pruned to eliminate duplicates Z: 25 11.689 1.989 0.466 0.296 0.792 0.417 CB 1.299 25 residues pruned to eliminate duplicates Z: 16 13.464 2.353 0.656 0.371 0.800 0.467 CB 1.280 Z: 13 20.658 1.916 0.646 0.886 1.000 0.917 CA 1.364 13 residues pruned to eliminate duplicates Z: 16 36.432 2.316 0.848 0.883 0.933 0.800 CA 1.702 16 residues pruned to eliminate duplicates Z: 90 79.962 2.326 1.243 0.553 0.933 0.618 CB 1.654 72 residues pruned to eliminate duplicates Z: 61 41.215 2.193 0.649 0.518 0.933 0.617 CB 1.549 46 residues pruned to eliminate duplicates Z: 12 36.493 2.134 1.240 0.863 1.000 1.000 CA 1.689 12 residues pruned to eliminate duplicates Z: 16 35.022 2.226 1.109 0.818 0.933 0.400 CA 1.566 16 residues pruned to eliminate duplicates Z: 9 23.010 2.181 0.751 0.905 1.000 0.875 CA 1.516 Z: 10 19.814 2.181 1.135 0.565 0.778 0.667 CA 1.712 10 residues pruned to eliminate duplicates Z: 64 53.991 2.282 1.045 0.500 0.889 0.571 CB 1.640 55 residues pruned to eliminate duplicates Z: 40 32.005 2.246 0.867 0.457 0.897 0.538 CB 1.423 36 residues pruned to eliminate duplicates Z: 41 46.900 2.384 1.167 0.540 0.900 0.425 CB 1.533 28 residues pruned to eliminate duplicates Z: 15 29.819 2.335 0.667 0.837 0.929 0.714 CB 1.649 15 residues pruned to eliminate duplicates Z: 15 27.983 2.407 0.604 0.838 0.857 0.714 CA 1.690 15 residues pruned to eliminate duplicates Z: 23 25.650 2.150 0.794 0.541 0.864 0.682 CB 1.577 Z: 11 33.152 2.435 0.663 0.926 1.000 1.000 CB 1.815 11 residues pruned to eliminate duplicates Z: 12 55.337 2.486 1.483 0.931 1.000 0.818 CA 1.888 12 residues pruned to eliminate duplicates Z: 13 27.333 2.278 0.842 0.823 0.917 0.750 CA 1.550 13 residues pruned to eliminate duplicates Z: 13 43.614 2.301 1.393 0.890 0.917 0.750 CA 1.795 13 residues pruned to eliminate duplicates Z: 13 50.008 2.364 1.428 0.939 1.000 0.583 CB 1.747 13 residues pruned to eliminate duplicates Z: 72 49.114 2.304 0.950 0.450 0.817 0.408 CB 1.672 72 residues pruned to eliminate duplicates Z: 21 14.238 1.981 0.767 0.376 0.800 0.400 CB 1.297 21 residues pruned to eliminate duplicates Z: 13 24.478 2.155 0.880 0.827 0.917 0.750 CB 1.434 14 residues pruned to eliminate duplicates Z: 13 17.043 1.847 0.519 0.840 0.917 0.750 CA 1.427 13 residues pruned to eliminate duplicates Z: 10 17.252 2.107 1.088 0.704 0.667 0.444 CA 1.628 10 residues pruned to eliminate duplicates Z: 23 30.575 2.290 0.722 0.650 0.909 0.727 CB 1.582 23 residues pruned to eliminate duplicates Z: 11 12.439 2.010 0.768 0.431 0.900 0.700 CB 1.322 Z: 9 10.342 2.160 0.747 0.558 0.625 0.500 CA 1.465 9 residues pruned to eliminate duplicates Z: 13 14.774 1.970 0.962 0.615 0.750 0.333 CA 1.320 13 residues pruned to eliminate duplicates Z: 20 19.959 2.022 0.951 0.439 0.842 0.632 CB 1.468 18 residues pruned to eliminate duplicates Z: 28 18.405 2.097 0.564 0.414 0.852 0.667 CB 1.386 14 residues pruned to eliminate duplicates Z: 17 38.556 2.313 1.119 0.878 1.000 0.688 CB 1.427 17 residues pruned to eliminate duplicates Z: 13 24.784 1.958 1.012 0.848 1.000 0.667 CB 1.347 Z: 74 48.864 2.268 0.980 0.486 0.863 0.548 CB 1.497 63 residues pruned to eliminate duplicates Z: 8 7.659 1.785 0.833 0.618 0.714 0.714 CB 1.108 Z: 11 20.563 2.374 0.792 0.718 0.800 0.400 CA 1.569 7 residues pruned to eliminate duplicates Z: 41 29.586 2.230 0.646 0.436 0.900 0.575 CB 1.513 48 residues pruned to eliminate duplicates Z: 13 29.163 2.160 0.916 0.847 1.000 0.917 CA 1.510 26 residues pruned to eliminate duplicates Z: 17 32.216 2.297 0.977 0.817 0.875 0.625 CB 1.539 17 residues pruned to eliminate duplicates Z: 14 26.922 2.046 0.921 0.855 0.923 0.769 CB 1.519 14 residues pruned to eliminate duplicates Z: 12 29.041 2.318 0.534 0.881 1.000 0.727 CB 1.783 12 residues pruned to eliminate duplicates Z: 78 49.669 2.372 0.892 0.440 0.818 0.532 CB 1.640 48 residues pruned to eliminate duplicates Z: 16 15.309 1.971 0.745 0.455 0.933 0.467 CB 1.290 5 residues pruned to eliminate duplicates Z: 16 29.350 2.251 0.979 0.906 0.867 0.733 CA 1.396 16 residues pruned to eliminate duplicates Z: 17 35.183 2.143 1.088 0.889 1.000 0.500 CA 1.415 17 residues pruned to eliminate duplicates Z: 13 19.940 2.034 0.779 0.627 0.833 0.500 CA 1.694 13 residues pruned to eliminate duplicates Z: 104 66.684 2.265 0.966 0.486 0.893 0.505 CB 1.675 104 residues pruned to eliminate duplicates Z: 12 25.319 2.002 0.946 0.841 1.000 0.909 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 33.739 2.178 0.995 0.922 1.000 0.909 CA 1.647 12 residues pruned to eliminate duplicates Z: 13 28.169 1.926 0.834 0.902 1.000 1.000 CA 1.641 13 residues pruned to eliminate duplicates Z: 15 32.071 2.313 0.734 0.894 1.000 0.786 CB 1.533 15 residues pruned to eliminate duplicates Z: 17 41.417 2.297 1.056 0.878 1.000 0.875 CA 1.591 17 residues pruned to eliminate duplicates Z: 21 29.531 2.330 0.803 0.463 0.900 0.500 CB 1.814 21 residues pruned to eliminate duplicates Z: 39 32.637 2.093 0.902 0.521 0.921 0.658 CB 1.414 39 residues pruned to eliminate duplicates Z: 12 26.115 2.211 0.854 0.882 0.909 0.636 CB 1.529 12 residues pruned to eliminate duplicates Z: 19 15.140 2.141 0.698 0.396 0.889 0.611 CB 1.233 19 residues pruned to eliminate duplicates Z: 12 41.770 2.394 1.233 0.907 1.000 0.727 CA 1.675 12 residues pruned to eliminate duplicates Z: 12 30.256 2.053 0.979 0.874 1.000 0.636 CB 1.633 12 residues pruned to eliminate duplicates Z: 15 37.127 2.306 1.026 0.889 1.000 0.714 CA 1.529 15 residues pruned to eliminate duplicates Z: 17 13.281 2.251 0.491 0.333 0.875 0.562 CB 1.357 17 residues pruned to eliminate duplicates Z: 6 18.225 2.164 1.152 0.797 1.000 0.800 CA 1.349 6 residues pruned to eliminate duplicates Z: 21 11.565 1.845 0.749 0.327 0.850 0.500 CB 1.141 Z: 6 8.150 1.803 0.848 0.834 0.800 0.800 CB 1.025 Z: 13 32.517 2.384 1.046 0.820 0.917 0.667 CA 1.591 14 residues pruned to eliminate duplicates Z: 6 13.541 2.063 1.095 0.853 0.800 0.400 CA 1.294 6 residues pruned to eliminate duplicates Z: 6 3.676 1.618 0.299 0.635 0.600 0.400 N 1.149 6 residues pruned to eliminate duplicates Z: 96 66.390 2.275 1.089 0.518 0.874 0.558 CB 1.611 96 residues pruned to eliminate duplicates Z: 21 47.617 2.373 1.113 0.701 1.000 0.700 CA 1.768 21 residues pruned to eliminate duplicates Z: 16 30.492 2.110 0.948 0.871 0.933 0.867 CA 1.497 16 residues pruned to eliminate duplicates Z: 25 31.882 2.271 1.045 0.449 0.917 0.625 CB 1.611 25 residues pruned to eliminate duplicates Z: 15 54.614 2.628 1.072 0.855 1.000 0.571 CB 1.979 15 residues pruned to eliminate duplicates Z: 10 28.526 2.507 1.213 0.745 0.778 0.222 CB 1.769 10 residues pruned to eliminate duplicates Z: 26 26.306 2.204 0.800 0.476 0.880 0.520 CB 1.543 21 residues pruned to eliminate duplicates Z: 12 41.174 2.491 0.963 0.927 1.000 1.000 CA 1.779 12 residues pruned to eliminate duplicates Z: 16 34.911 2.233 0.874 0.894 1.000 0.733 CB 1.545 16 residues pruned to eliminate duplicates Z: 20 20.420 2.202 0.661 0.400 0.895 0.579 CB 1.591 21 residues pruned to eliminate duplicates Z: 14 27.950 1.972 1.341 0.810 0.846 0.846 CB 1.516 14 residues pruned to eliminate duplicates Z: 18 19.463 2.190 0.554 0.384 1.000 0.471 CB 1.569 18 residues pruned to eliminate duplicates Z: 13 35.509 2.326 1.343 0.886 0.833 0.583 CA 1.629 13 residues pruned to eliminate duplicates Z: 26 20.372 2.093 0.721 0.433 0.880 0.440 CB 1.378 26 residues pruned to eliminate duplicates Z: 23 16.321 2.092 0.814 0.347 0.773 0.500 CB 1.401 23 residues pruned to eliminate duplicates Z: 11 32.032 2.268 0.872 0.909 1.000 0.800 CA 1.694 11 residues pruned to eliminate duplicates Z: 10 20.922 2.095 0.896 0.906 0.889 0.667 CB 1.405 10 residues pruned to eliminate duplicates Z: 18 38.165 2.205 1.255 0.822 1.000 0.647 CA 1.408 18 residues pruned to eliminate duplicates Z: 12 29.070 2.128 1.038 0.889 1.000 0.727 CB 1.455 12 residues pruned to eliminate duplicates Z: 35 31.320 2.238 0.802 0.429 0.853 0.588 CB 1.681 37 residues pruned to eliminate duplicates Z: 23 24.322 2.133 0.807 0.530 0.818 0.455 CB 1.597 23 residues pruned to eliminate duplicates Z: 15 40.064 2.314 1.071 0.928 1.000 0.786 CA 1.564 15 residues pruned to eliminate duplicates Z: 91 73.129 2.323 1.089 0.565 0.922 0.600 CB 1.618 90 residues pruned to eliminate duplicates Z: 15 34.309 2.331 0.804 0.902 1.000 0.857 CA 1.556 15 residues pruned to eliminate duplicates Z: 6 7.683 1.958 0.424 0.764 0.800 0.400 CA 1.219 6 residues pruned to eliminate duplicates Z: 13 50.913 2.355 1.563 0.921 0.917 0.667 CB 1.868 13 residues pruned to eliminate duplicates Z: 18 14.813 2.005 0.634 0.340 0.824 0.706 CA 1.586 18 residues pruned to eliminate duplicates Z: 24 31.465 2.314 1.013 0.434 0.870 0.565 CB 1.735 24 residues pruned to eliminate duplicates Z: 24 17.978 2.185 0.750 0.356 0.826 0.435 CB 1.386 24 residues pruned to eliminate duplicates Z: 15 39.263 2.363 0.956 0.894 0.929 0.714 CA 1.754 15 residues pruned to eliminate duplicates Z: 17 31.661 2.347 0.747 0.911 0.875 0.812 CB 1.563 23 residues pruned to eliminate duplicates Z: 8 9.173 2.193 0.034 0.596 0.857 0.571 CB 1.626 Z: 8 7.018 1.846 0.999 0.697 0.571 0.429 CB 1.051 8 residues pruned to eliminate duplicates Z: 21 15.080 2.049 0.758 0.353 0.800 0.550 CB 1.372 19 residues pruned to eliminate duplicates Z: 12 27.021 2.057 0.747 0.888 1.000 0.909 CB 1.633 12 residues pruned to eliminate duplicates Z: 14 27.716 2.213 0.731 0.926 1.000 0.846 CA 1.408 14 residues pruned to eliminate duplicates Z: 17 38.159 2.204 0.937 0.852 1.000 0.750 CA 1.653 17 residues pruned to eliminate duplicates Z: 12 22.769 2.015 0.644 0.897 1.000 1.000 CB 1.484 12 residues pruned to eliminate duplicates Z: 31 24.517 2.175 0.804 0.429 0.833 0.500 CB 1.474 31 residues pruned to eliminate duplicates Z: 31 28.189 2.233 0.838 0.428 0.867 0.533 CB 1.560 31 residues pruned to eliminate duplicates Z: 12 24.529 2.327 0.366 0.936 1.000 1.000 CB 1.620 12 residues pruned to eliminate duplicates Z: 15 36.861 2.332 0.764 0.892 1.000 0.857 CA 1.721 15 residues pruned to eliminate duplicates Z: 22 25.901 2.172 1.014 0.443 0.905 0.476 CB 1.514 22 residues pruned to eliminate duplicates Z: 13 13.753 1.994 0.552 0.493 0.917 0.667 CB 1.410 14 residues pruned to eliminate duplicates Z: 17 39.454 2.260 1.002 0.871 0.938 0.812 CA 1.697 17 residues pruned to eliminate duplicates Z: 44 43.812 2.186 0.830 0.601 0.907 0.512 CA 1.673 35 residues pruned to eliminate duplicates Z: 16 40.519 2.328 0.978 0.872 0.933 0.800 CB 1.774 16 residues pruned to eliminate duplicates Z: 24 22.982 2.102 0.834 0.523 0.870 0.609 CB 1.397 24 residues pruned to eliminate duplicates Z: 16 35.659 2.394 0.895 0.868 0.933 0.533 CB 1.590 16 residues pruned to eliminate duplicates Z: 13 35.048 2.171 0.927 0.923 1.000 0.917 CB 1.699 13 residues pruned to eliminate duplicates Z: 28 41.309 2.489 1.184 0.528 0.889 0.519 CB 1.600 28 residues pruned to eliminate duplicates Z: 24 22.522 2.117 0.870 0.464 0.957 0.435 CB 1.286 24 residues pruned to eliminate duplicates Z: 17 22.000 2.258 0.832 0.461 0.812 0.688 CB 1.702 15 residues pruned to eliminate duplicates Z: 8 20.258 2.251 0.587 0.877 0.857 0.571 CA 1.815 8 residues pruned to eliminate duplicates Z: 72 55.091 2.307 0.875 0.518 0.859 0.634 CB 1.728 72 residues pruned to eliminate duplicates Z: 12 58.430 2.483 1.625 0.932 1.000 1.000 CA 1.888 12 residues pruned to eliminate duplicates Z: 28 29.200 2.151 1.016 0.534 0.815 0.667 CB 1.539 28 residues pruned to eliminate duplicates Z: 9 14.183 1.900 0.776 0.804 0.750 0.625 CA 1.520 9 residues pruned to eliminate duplicates Z: 37 22.375 2.109 0.593 0.422 0.861 0.444 CB 1.398 37 residues pruned to eliminate duplicates Z: 14 25.879 2.232 0.815 0.792 0.923 0.769 CA 1.485 14 residues pruned to eliminate duplicates Z: 15 10.201 1.938 0.210 0.440 0.786 0.429 CB 1.573 15 residues pruned to eliminate duplicates Z: 10 20.757 2.246 0.954 0.690 1.000 0.889 CB 1.325 Z: 17 35.908 2.252 0.969 0.862 0.938 0.375 CA 1.586 17 residues pruned to eliminate duplicates Z: 15 35.310 2.259 0.981 0.837 1.000 0.857 CA 1.577 15 residues pruned to eliminate duplicates Z: 15 35.484 2.206 0.965 0.859 1.000 0.786 CA 1.610 15 residues pruned to eliminate duplicates Z: 11 53.371 2.511 1.562 0.915 1.000 0.700 CA 1.853 12 residues pruned to eliminate duplicates Z: 13 14.105 1.991 0.671 0.544 0.917 0.833 CB 1.279 13 residues pruned to eliminate duplicates Z: 15 10.807 2.175 0.413 0.301 1.000 0.500 CB 1.174 15 residues pruned to eliminate duplicates Z: 49 59.406 2.492 1.119 0.514 0.875 0.500 CB 1.830 49 residues pruned to eliminate duplicates Z: 8 8.409 2.021 0.234 0.456 0.857 0.714 CB 1.556 9 residues pruned to eliminate duplicates Z: 15 43.875 2.398 0.909 0.894 1.000 0.714 CB 1.838 15 residues pruned to eliminate duplicates Z: 6 6.154 1.729 0.088 0.785 1.000 1.000 CA 1.138 6 residues pruned to eliminate duplicates Z: 26 24.995 2.223 0.567 0.508 0.880 0.520 CB 1.618 26 residues pruned to eliminate duplicates Z: 13 36.444 2.422 1.332 0.835 0.833 0.667 CB 1.675 13 residues pruned to eliminate duplicates Z: 26 26.295 2.226 1.024 0.434 0.840 0.600 CB 1.487 26 residues pruned to eliminate duplicates Z: 14 34.106 2.374 0.790 0.903 1.000 0.769 CA 1.586 14 residues pruned to eliminate duplicates Z: 68 65.808 2.355 1.117 0.559 0.925 0.582 CB 1.646 68 residues pruned to eliminate duplicates Z: 24 24.815 2.197 0.943 0.433 0.783 0.565 CB 1.660 24 residues pruned to eliminate duplicates Z: 8 12.299 2.104 0.735 0.483 1.000 0.714 CB 1.296 8 residues pruned to eliminate duplicates Z: 27 33.502 2.347 0.853 0.594 0.885 0.538 CB 1.562 27 residues pruned to eliminate duplicates Z: 12 15.635 1.870 0.546 0.857 1.000 0.818 CA 1.201 12 residues pruned to eliminate duplicates Z: 30 29.669 2.228 0.883 0.469 0.897 0.517 CB 1.512 30 residues pruned to eliminate duplicates Z: 17 41.093 2.274 1.065 0.839 1.000 0.688 CA 1.634 17 residues pruned to eliminate duplicates Z: 32 40.304 2.296 1.079 0.548 0.871 0.548 CB 1.662 32 residues pruned to eliminate duplicates Z: 13 27.346 2.023 0.942 0.854 1.000 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 29 40.544 2.388 1.053 0.534 0.929 0.571 CB 1.627 33 residues pruned to eliminate duplicates Z: 14 33.130 2.341 1.057 0.794 1.000 0.846 CB 1.475 13 residues pruned to eliminate duplicates Z: 13 44.255 2.304 1.362 0.908 1.000 0.417 CA 1.668 12 residues pruned to eliminate duplicates Z: 9 18.755 1.940 1.010 0.803 0.875 0.625 CA 1.491 9 residues pruned to eliminate duplicates Z: 20 15.920 2.020 0.581 0.371 0.947 0.632 CB 1.387 20 residues pruned to eliminate duplicates Z: 14 24.444 1.963 0.702 0.855 1.000 0.846 CB 1.498 14 residues pruned to eliminate duplicates Z: 27 32.595 2.272 1.050 0.459 0.885 0.577 CB 1.618 27 residues pruned to eliminate duplicates Z: 17 39.377 2.279 1.059 0.894 0.938 0.812 CA 1.606 17 residues pruned to eliminate duplicates Z: 15 30.789 2.319 0.779 0.882 1.000 0.714 CA 1.444 15 residues pruned to eliminate duplicates Z: 9 22.598 2.073 1.374 0.709 0.875 0.250 N 1.535 9 residues pruned to eliminate duplicates Z: 8 23.598 2.286 0.821 0.847 0.857 0.429 CB 1.855 8 residues pruned to eliminate duplicates Z: 24 11.424 1.948 0.451 0.380 0.826 0.478 CB 1.160 23 residues pruned to eliminate duplicates Z: 17 41.216 2.255 0.987 0.886 1.000 0.812 CA 1.659 17 residues pruned to eliminate duplicates Z: 15 31.849 2.234 1.027 0.874 0.929 0.643 CA 1.473 15 residues pruned to eliminate duplicates Z: 12 23.585 2.017 0.914 0.854 0.909 0.818 CB 1.495 12 residues pruned to eliminate duplicates Z: 24 32.766 2.137 1.058 0.583 0.957 0.522 CB 1.500 5 residues pruned to eliminate duplicates Z: 16 24.034 2.249 0.867 0.430 0.933 0.400 CB 1.702 15 residues pruned to eliminate duplicates Z: 16 35.441 2.288 0.942 0.893 0.933 0.733 CB 1.584 16 residues pruned to eliminate duplicates Z: 12 9.846 2.061 0.705 0.364 0.727 0.364 CB 1.345 12 residues pruned to eliminate duplicates Z: 13 34.535 2.062 1.229 0.913 1.000 0.833 CB 1.535 13 residues pruned to eliminate duplicates Z: 24 25.870 2.110 1.073 0.425 0.826 0.522 CA 1.615 24 residues pruned to eliminate duplicates Z: 18 13.232 2.099 0.564 0.410 0.765 0.529 CB 1.405 18 residues pruned to eliminate duplicates Z: 6 4.481 1.672 1.129 0.369 0.600 0.400 CA 1.080 Z: 14 28.067 2.263 0.744 0.878 1.000 0.769 CA 1.431 14 residues pruned to eliminate duplicates Z: 12 25.150 2.027 0.847 0.839 1.000 0.818 CA 1.513 12 residues pruned to eliminate duplicates Z: 9 6.053 1.873 0.501 0.300 0.750 0.375 CA 1.268 9 residues pruned to eliminate duplicates Z: 11 27.281 2.157 0.983 0.874 1.000 0.700 CB 1.468 11 residues pruned to eliminate duplicates Z: 13 16.674 1.848 0.608 0.824 0.917 0.667 CA 1.335 13 residues pruned to eliminate duplicates Z: 19 16.234 2.205 0.492 0.417 0.944 0.556 CB 1.344 19 residues pruned to eliminate duplicates Z: 74 44.581 2.270 0.818 0.421 0.890 0.548 CB 1.541 74 residues pruned to eliminate duplicates Z: 9 11.250 1.884 0.293 0.802 0.875 0.375 CB 1.433 9 residues pruned to eliminate duplicates Z: 27 28.265 2.308 0.688 0.515 0.808 0.423 CB 1.735 27 residues pruned to eliminate duplicates Z: 40 30.988 2.027 1.187 0.394 0.795 0.487 CB 1.576 40 residues pruned to eliminate duplicates Z: 16 17.956 2.022 1.190 0.441 0.867 0.467 CB 1.283 7 residues pruned to eliminate duplicates Z: 17 30.136 2.219 0.663 0.848 0.938 0.750 CA 1.615 17 residues pruned to eliminate duplicates Z: 13 45.646 2.391 1.367 0.926 0.917 0.750 CB 1.781 13 residues pruned to eliminate duplicates Z: 21 20.828 2.137 1.011 0.468 0.800 0.450 CB 1.400 21 residues pruned to eliminate duplicates Z: 27 22.914 2.056 0.671 0.488 0.923 0.538 CB 1.434 33 residues pruned to eliminate duplicates Z: 68 56.725 2.243 1.046 0.500 0.910 0.507 CB 1.658 68 residues pruned to eliminate duplicates Z: 43 29.244 2.220 0.852 0.424 0.762 0.452 CB 1.558 43 residues pruned to eliminate duplicates Z: 10 12.199 1.729 0.562 0.807 0.889 0.889 CA 1.295 10 residues pruned to eliminate duplicates Z: 17 53.895 2.490 1.302 0.874 0.875 0.562 CB 1.955 17 residues pruned to eliminate duplicates Z: 12 11.015 1.875 0.567 0.393 0.818 0.545 CB 1.546 12 residues pruned to eliminate duplicates Z: 8 6.561 1.948 0.783 0.386 0.857 0.571 CB 0.940 10 residues pruned to eliminate duplicates Z: 29 26.966 2.092 0.905 0.447 0.929 0.500 CB 1.454 29 residues pruned to eliminate duplicates Z: 12 27.593 2.178 0.581 0.909 1.000 0.909 CA 1.715 12 residues pruned to eliminate duplicates Z: 9 16.959 2.145 0.837 0.366 1.000 0.500 CA 1.758 9 residues pruned to eliminate duplicates Z: 13 25.563 2.254 0.758 0.881 0.833 0.750 CA 1.619 13 residues pruned to eliminate duplicates Z: 12 24.502 2.016 0.899 0.861 1.000 0.818 CB 1.417 12 residues pruned to eliminate duplicates Z: 16 28.169 2.223 1.039 0.562 0.867 0.667 CB 1.743 16 residues pruned to eliminate duplicates Z: 10 4.390 1.848 0.211 0.457 0.778 0.333 CB 0.878 Z: 13 25.505 2.106 0.883 0.873 0.917 0.750 CB 1.475 13 residues pruned to eliminate duplicates Z: 14 22.524 2.387 0.999 0.673 0.846 0.462 CB 1.319 14 residues pruned to eliminate duplicates Z: 14 25.305 2.003 0.898 0.892 0.923 0.769 CB 1.437 14 residues pruned to eliminate duplicates Z: 37 47.339 2.277 1.160 0.610 0.889 0.583 CB 1.626 37 residues pruned to eliminate duplicates Z: 9 7.491 2.072 0.318 0.625 0.625 0.500 CB 1.378 Z: 14 26.009 2.287 1.170 0.527 0.923 0.692 CB 1.533 14 residues pruned to eliminate duplicates Z: 7 7.709 1.858 0.411 0.456 0.833 0.667 N 1.507 7 residues pruned to eliminate duplicates Z: 6 12.307 2.100 0.889 0.650 1.000 0.800 N 1.206 Z: 9 13.595 1.799 0.742 0.780 0.875 0.625 CA 1.369 9 residues pruned to eliminate duplicates Z: 15 26.351 2.242 0.592 0.876 1.000 0.714 CA 1.434 15 residues pruned to eliminate duplicates Z: 11 38.723 2.259 1.310 0.916 1.000 0.900 CB 1.656 11 residues pruned to eliminate duplicates Z: 35 49.126 2.430 1.163 0.625 0.941 0.676 CB 1.514 35 residues pruned to eliminate duplicates Z: 41 45.581 2.357 0.898 0.548 0.925 0.550 CB 1.662 41 residues pruned to eliminate duplicates Z: 12 28.885 2.429 0.921 0.526 1.000 0.727 CB 1.819 12 residues pruned to eliminate duplicates Z: 39 52.122 2.477 1.061 0.515 0.947 0.605 CB 1.723 39 residues pruned to eliminate duplicates Z: 6 12.568 2.199 0.930 0.463 0.800 0.400 CB 1.719 6 residues pruned to eliminate duplicates Z: 10 15.677 1.770 0.566 0.812 1.000 0.889 CB 1.437 19 residues pruned to eliminate duplicates Z: 29 34.389 2.399 1.106 0.570 0.893 0.464 CB 1.346 29 residues pruned to eliminate duplicates Z: 6 10.023 1.908 1.043 0.601 0.800 0.800 O 1.305 Z: 7 11.354 2.050 0.166 0.856 1.000 0.833 CB 1.430 7 residues pruned to eliminate duplicates Z: 12 12.491 1.913 0.841 0.384 0.818 0.455 CB 1.479 12 residues pruned to eliminate duplicates Z: 79 61.744 2.288 1.098 0.520 0.910 0.590 CB 1.569 79 residues pruned to eliminate duplicates Z: 13 40.692 2.237 1.729 0.891 0.917 0.833 CA 1.509 13 residues pruned to eliminate duplicates Z: 60 40.158 2.267 0.793 0.434 0.831 0.508 CB 1.658 60 residues pruned to eliminate duplicates Z: 6 8.277 2.123 0.962 0.451 0.600 0.400 CA 1.558 6 residues pruned to eliminate duplicates Z: 13 33.393 2.315 0.637 0.933 1.000 0.917 CB 1.775 13 residues pruned to eliminate duplicates Z: 15 16.680 2.280 0.507 0.437 0.929 0.429 CB 1.492 14 residues pruned to eliminate duplicates Z: 7 10.688 2.173 0.783 0.337 0.833 0.333 CB 1.616 7 residues pruned to eliminate duplicates Z: 11 23.551 2.215 0.519 0.891 1.000 0.800 CA 1.592 11 residues pruned to eliminate duplicates Z: 10 7.632 1.896 0.233 0.497 0.778 0.556 CB 1.403 10 residues pruned to eliminate duplicates Z: 13 37.951 2.434 0.934 0.929 1.000 1.000 CB 1.628 13 residues pruned to eliminate duplicates Z: 36 30.295 2.263 0.786 0.399 0.886 0.571 CB 1.592 36 residues pruned to eliminate duplicates Z: 28 26.679 2.255 0.984 0.405 0.815 0.444 CB 1.556 28 residues pruned to eliminate duplicates Z: 12 37.767 2.394 1.324 0.863 0.909 0.545 CB 1.652 12 residues pruned to eliminate duplicates Z: 7 8.391 1.649 0.619 0.705 1.000 0.667 CA 1.065 6 residues pruned to eliminate duplicates Z: 7 9.469 2.303 0.325 0.476 0.833 0.667 CB 1.557 7 residues pruned to eliminate duplicates Z: 11 13.416 2.313 0.504 0.520 0.800 0.500 CB 1.494 11 residues pruned to eliminate duplicates Z: 25 26.758 2.183 1.017 0.498 0.875 0.458 CB 1.421 25 residues pruned to eliminate duplicates Z: 14 33.879 2.375 0.967 0.894 0.923 0.615 CA 1.562 14 residues pruned to eliminate duplicates Z: 25 18.689 2.040 0.692 0.485 0.875 0.542 CB 1.282 25 residues pruned to eliminate duplicates Z: 16 12.448 1.876 0.495 0.406 0.800 0.533 CB 1.581 7 residues pruned to eliminate duplicates Z: 9 8.034 2.005 0.383 0.422 0.875 0.500 CB 1.269 9 residues pruned to eliminate duplicates Z: 10 11.608 1.747 0.440 0.815 0.889 0.889 CA 1.316 10 residues pruned to eliminate duplicates Z: 15 34.743 2.317 0.991 0.896 1.000 0.643 CA 1.443 15 residues pruned to eliminate duplicates Z: 12 9.667 2.105 0.362 0.242 0.909 0.455 CB 1.508 12 residues pruned to eliminate duplicates Z: 16 33.197 2.269 1.198 0.778 0.933 0.600 CA 1.441 16 residues pruned to eliminate duplicates Z: 9 6.500 1.774 0.350 0.546 0.625 0.500 N 1.468 9 residues pruned to eliminate duplicates Z: 6 7.301 1.866 0.601 0.543 0.800 0.400 CB 1.311 Z: 22 22.751 2.175 0.831 0.392 0.905 0.619 CB 1.545 22 residues pruned to eliminate duplicates Z: 8 7.828 1.928 0.886 0.354 0.857 0.286 CB 1.111 Z: 12 22.969 2.230 1.119 0.762 0.818 0.545 CB 1.419 12 residues pruned to eliminate duplicates Z: 22 30.134 2.221 1.177 0.547 0.857 0.667 CB 1.515 22 residues pruned to eliminate duplicates Z: 15 41.608 2.429 0.988 0.868 0.929 0.500 CB 1.812 15 residues pruned to eliminate duplicates Z: 43 47.070 2.427 1.078 0.484 0.857 0.571 CB 1.707 43 residues pruned to eliminate duplicates Z: 9 8.004 1.670 0.840 0.320 0.875 0.625 N 1.283 Z: 44 49.983 2.412 1.032 0.563 0.953 0.605 CB 1.535 43 residues pruned to eliminate duplicates Z: 13 26.006 2.233 0.689 0.884 0.917 0.750 CA 1.569 13 residues pruned to eliminate duplicates Z: 9 6.491 1.919 0.789 0.678 0.875 0.625 CB 0.649 Z: 23 28.554 2.228 0.972 0.414 0.909 0.636 CB 1.668 23 residues pruned to eliminate duplicates Z: 14 19.192 1.856 0.714 0.882 0.923 0.769 CA 1.311 14 residues pruned to eliminate duplicates Z: 14 13.945 2.181 0.506 0.335 0.846 0.385 CB 1.666 14 residues pruned to eliminate duplicates Z: 18 21.673 2.016 0.868 0.531 0.941 0.353 CB 1.439 18 residues pruned to eliminate duplicates Z: 44 47.291 2.379 1.013 0.505 0.860 0.512 CB 1.742 44 residues pruned to eliminate duplicates Z: 12 13.618 2.038 0.640 0.397 0.909 0.727 CA 1.507 11 residues pruned to eliminate duplicates Z: 22 18.330 2.080 0.952 0.356 0.762 0.476 CB 1.511 22 residues pruned to eliminate duplicates Z: 48 42.831 2.284 1.039 0.523 0.894 0.532 CB 1.467 47 residues pruned to eliminate duplicates Z: 15 17.841 2.278 0.355 0.530 1.000 0.786 CB 1.499 15 residues pruned to eliminate duplicates Z: 64 53.745 2.282 1.046 0.539 0.905 0.508 CB 1.542 62 residues pruned to eliminate duplicates Z: 17 16.023 2.160 0.376 0.534 0.812 0.438 CB 1.604 9 residues pruned to eliminate duplicates Z: 12 16.232 1.906 0.667 0.878 1.000 0.818 CA 1.118 12 residues pruned to eliminate duplicates Z: 20 43.005 2.483 1.070 0.625 0.947 0.789 CB 1.801 20 residues pruned to eliminate duplicates Z: 7 14.599 2.011 1.016 0.720 1.000 1.000 CB 1.205 Z: 43 43.470 2.316 1.055 0.515 0.905 0.548 CB 1.534 43 residues pruned to eliminate duplicates Z: 16 30.123 2.163 0.969 0.830 0.933 0.733 CA 1.472 16 residues pruned to eliminate duplicates Z: 15 20.165 1.955 0.750 0.897 0.929 0.571 CB 1.214 15 residues pruned to eliminate duplicates Z: 44 30.600 2.178 0.948 0.435 0.814 0.512 CB 1.445 44 residues pruned to eliminate duplicates Z: 22 21.002 2.098 1.112 0.408 0.857 0.429 CB 1.328 22 residues pruned to eliminate duplicates Z: 60 41.315 2.329 0.788 0.471 0.847 0.593 CB 1.569 60 residues pruned to eliminate duplicates Z: 23 34.680 2.181 0.897 0.662 1.000 0.636 CA 1.539 19 residues pruned to eliminate duplicates Z: 14 7.652 1.852 0.502 0.232 0.769 0.308 CB 1.355 Z: 16 10.711 1.832 0.759 0.366 0.733 0.400 CB 1.353 16 residues pruned to eliminate duplicates Z: 16 29.558 2.074 0.757 0.890 1.000 0.867 CB 1.507 16 residues pruned to eliminate duplicates Z: 6 4.953 1.680 0.236 0.766 1.000 0.800 CB 0.842 6 residues pruned to eliminate duplicates Z: 10 14.380 1.803 1.140 0.551 0.889 0.667 CA 1.329 9 residues pruned to eliminate duplicates Z: 53 47.938 2.373 1.022 0.494 0.865 0.481 CB 1.611 52 residues pruned to eliminate duplicates Z: 7 9.012 2.031 1.070 0.565 0.667 0.333 CA 1.232 7 residues pruned to eliminate duplicates Z: 7 12.544 2.425 0.294 0.445 1.000 0.667 CA 1.728 7 residues pruned to eliminate duplicates 6 1.832 1.657 0.074 0.299 0.600 0.400 CA 0.960 ? Z: 23 26.811 2.112 0.627 0.722 0.909 0.682 CA 1.497 23 residues pruned to eliminate duplicates Z: 9 7.799 1.890 0.160 0.815 0.625 0.375 CA 1.530 9 residues pruned to eliminate duplicates Z: 57 46.121 2.242 0.852 0.523 0.911 0.464 CB 1.592 57 residues pruned to eliminate duplicates Z: 9 4.317 1.643 0.378 0.394 0.750 0.375 CB 1.005 Z: 7 11.952 1.898 0.862 0.661 1.000 1.000 CB 1.190 Z: 17 39.693 2.286 1.149 0.882 0.938 0.688 CA 1.558 17 residues pruned to eliminate duplicates Z: 38 30.609 2.235 0.961 0.442 0.757 0.351 CB 1.611 38 residues pruned to eliminate duplicates Z: 13 12.723 2.200 0.427 0.465 0.750 0.583 CB 1.616 13 residues pruned to eliminate duplicates Z: 102 66.622 2.292 0.865 0.531 0.891 0.584 CB 1.688 99 residues pruned to eliminate duplicates Z: 7 13.237 1.923 0.653 0.859 0.833 0.500 O 1.502 7 residues pruned to eliminate duplicates Z: 13 40.168 2.168 1.329 0.897 1.000 0.833 CB 1.643 13 residues pruned to eliminate duplicates Z: 62 44.045 2.288 0.906 0.435 0.869 0.557 CB 1.592 62 residues pruned to eliminate duplicates Z: 29 31.488 2.075 0.755 0.575 0.964 0.714 CA 1.577 29 residues pruned to eliminate duplicates Z: 67 71.314 2.409 1.098 0.557 0.955 0.606 CB 1.721 67 residues pruned to eliminate duplicates Z: 10 5.008 1.694 0.060 0.390 1.000 0.556 CB 1.045 Z: 42 29.659 2.175 0.826 0.457 0.780 0.415 CB 1.562 42 residues pruned to eliminate duplicates Z: 23 37.755 2.197 1.009 0.688 0.955 0.636 CA 1.608 23 residues pruned to eliminate duplicates Z: 8 10.328 1.869 0.466 0.631 1.000 0.571 CB 1.259 Z: 16 27.586 2.070 0.891 0.832 0.933 0.600 CB 1.465 16 residues pruned to eliminate duplicates Z: 13 8.512 1.872 0.115 0.433 0.917 0.500 CB 1.376 13 residues pruned to eliminate duplicates Z: 49 40.231 2.360 0.821 0.487 0.854 0.562 CB 1.603 49 residues pruned to eliminate duplicates Z: 6 4.762 1.660 1.168 0.541 0.600 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 22 32.586 2.250 0.602 0.769 0.952 0.714 CA 1.632 22 residues pruned to eliminate duplicates Z: 8 12.945 2.014 0.308 0.859 0.857 0.857 CB 1.594 8 residues pruned to eliminate duplicates Z: 21 39.399 2.346 0.902 0.742 0.900 0.750 CB 1.767 21 residues pruned to eliminate duplicates Z: 16 31.378 2.095 0.746 0.853 1.000 0.733 CA 1.636 16 residues pruned to eliminate duplicates Z: 30 38.937 2.454 1.054 0.525 0.897 0.621 CB 1.561 30 residues pruned to eliminate duplicates Z: 7 9.877 1.893 0.538 0.661 0.833 0.833 O 1.431 Z: 15 35.214 2.377 0.657 0.860 1.000 0.786 CA 1.757 15 residues pruned to eliminate duplicates Z: 24 26.659 2.158 0.816 0.506 0.913 0.652 CB 1.544 24 residues pruned to eliminate duplicates Z: 16 30.003 2.226 0.883 0.832 0.933 0.800 CA 1.487 16 residues pruned to eliminate duplicates Z: 45 26.316 2.125 0.674 0.514 0.795 0.477 CB 1.383 45 residues pruned to eliminate duplicates Z: 13 14.373 2.052 0.830 0.430 0.833 0.500 CB 1.425 13 residues pruned to eliminate duplicates Z: 26 20.899 2.063 0.969 0.446 0.840 0.520 CB 1.295 26 residues pruned to eliminate duplicates Z: 11 10.264 2.058 0.460 0.548 0.900 0.800 CB 1.146 Z: 8 14.870 2.019 0.645 0.627 1.000 0.571 CB 1.501 8 residues pruned to eliminate duplicates Z: 20 16.904 1.876 1.025 0.374 0.789 0.526 CB 1.479 20 residues pruned to eliminate duplicates Z: 11 7.691 1.959 0.467 0.398 0.800 0.700 CB 1.178 Z: 6 5.437 1.770 1.262 0.282 0.600 0.600 CB 1.294 6 residues pruned to eliminate duplicates Z: 23 17.255 1.945 0.815 0.384 0.864 0.545 CB 1.364 23 residues pruned to eliminate duplicates Z: 45 44.875 2.370 0.871 0.490 0.886 0.614 CB 1.739 45 residues pruned to eliminate duplicates Z: 16 33.982 2.296 1.181 0.875 0.867 0.667 CB 1.471 16 residues pruned to eliminate duplicates Z: 28 25.998 2.052 0.924 0.501 0.926 0.333 CA 1.367 28 residues pruned to eliminate duplicates Z: 15 39.461 2.350 1.048 0.900 1.000 0.714 CA 1.565 15 residues pruned to eliminate duplicates Z: 13 30.506 2.273 0.752 0.899 1.000 0.917 CB 1.581 13 residues pruned to eliminate duplicates Z: 13 22.889 1.979 0.592 0.918 1.000 0.917 CA 1.479 13 residues pruned to eliminate duplicates Z: 11 2.605 1.841 -0.044 0.283 0.800 0.400 CB 0.747 11 residues pruned to eliminate duplicates Z: 16 21.354 2.332 0.182 0.849 0.867 0.800 CA 1.711 16 residues pruned to eliminate duplicates Z: 8 13.899 2.189 0.492 0.744 0.857 0.571 CB 1.508 8 residues pruned to eliminate duplicates Z: 17 26.615 2.277 0.365 0.833 0.938 0.812 CA 1.713 17 residues pruned to eliminate duplicates Z: 64 60.306 2.302 1.056 0.510 0.937 0.540 CB 1.697 75 residues pruned to eliminate duplicates Z: 21 17.135 2.016 0.593 0.365 0.900 0.500 CB 1.533 21 residues pruned to eliminate duplicates Z: 93 63.658 2.257 1.090 0.513 0.880 0.620 CB 1.578 93 residues pruned to eliminate duplicates Z: 32 37.799 2.224 0.995 0.626 0.839 0.419 CB 1.621 34 residues pruned to eliminate duplicates Z: 17 23.282 2.400 0.577 0.436 1.000 0.750 CB 1.643 17 residues pruned to eliminate duplicates Z: 28 42.451 2.382 1.000 0.541 0.926 0.630 CB 1.779 28 residues pruned to eliminate duplicates Z: 59 53.175 2.287 1.063 0.499 0.914 0.534 CB 1.620 59 residues pruned to eliminate duplicates Z: 12 26.290 2.111 0.743 0.879 1.000 0.818 CB 1.562 12 residues pruned to eliminate duplicates Z: 19 33.355 1.934 1.016 0.864 1.000 0.667 CB 1.478 19 residues pruned to eliminate duplicates Z: 17 31.199 2.040 1.066 0.859 0.938 0.625 CB 1.452 17 residues pruned to eliminate duplicates Z: 26 28.976 2.137 0.807 0.619 0.920 0.840 CB 1.458 26 residues pruned to eliminate duplicates Z: 25 38.018 2.232 0.940 0.628 0.958 0.792 CB 1.658 25 residues pruned to eliminate duplicates Z: 8 7.237 1.627 0.656 0.726 0.857 0.571 CB 0.966 8 residues pruned to eliminate duplicates Z: 24 21.865 2.144 0.632 0.463 0.957 0.652 CB 1.415 24 residues pruned to eliminate duplicates Z: 85 74.206 2.331 1.173 0.569 0.917 0.560 CB 1.632 85 residues pruned to eliminate duplicates Z: 8 12.626 1.963 0.216 0.863 1.000 0.857 O 1.467 Z: 12 22.488 2.010 0.721 0.928 1.000 0.909 CA 1.373 12 residues pruned to eliminate duplicates Z: 8 20.783 2.006 0.739 0.901 1.000 0.714 CB 1.607 16 residues pruned to eliminate duplicates Z: 6 4.604 1.767 0.710 0.621 0.600 0.600 CA 1.013 6 residues pruned to eliminate duplicates Z: 6 2.586 1.580 0.652 0.300 0.600 0.600 CB 0.923 Z: 15 23.359 2.338 0.633 0.514 1.000 0.714 CB 1.613 15 residues pruned to eliminate duplicates Z: 12 28.335 2.307 0.736 0.854 1.000 0.545 CB 1.576 12 residues pruned to eliminate duplicates Z: 23 18.201 1.900 0.632 0.520 0.955 0.409 CB 1.285 23 residues pruned to eliminate duplicates Z: 87 77.898 2.321 1.151 0.584 0.953 0.628 CB 1.628 87 residues pruned to eliminate duplicates Z: 8 20.466 1.923 1.169 0.867 0.857 0.571 CA 1.582 9 residues pruned to eliminate duplicates Z: 8 9.009 1.878 0.693 0.552 0.857 0.714 CB 1.188 Z: 18 27.909 2.167 0.621 0.872 1.000 0.765 CA 1.404 18 residues pruned to eliminate duplicates Z: 6 5.470 1.746 0.569 0.298 0.800 0.400 CA 1.398 Z: 20 24.217 2.099 0.855 0.455 0.895 0.579 CB 1.670 20 residues pruned to eliminate duplicates Z: 10 11.650 2.122 0.357 0.561 0.778 0.444 CB 1.635 10 residues pruned to eliminate duplicates Z: 14 26.996 2.308 0.568 0.897 1.000 0.846 CA 1.481 14 residues pruned to eliminate duplicates Z: 14 35.264 2.418 0.881 0.868 0.923 0.846 CB 1.703 14 residues pruned to eliminate duplicates Z: 7 3.138 1.625 0.117 0.245 0.833 0.833 CB 1.137 Z: 15 31.669 2.253 0.698 0.894 1.000 0.786 CA 1.586 15 residues pruned to eliminate duplicates Z: 7 4.319 1.638 0.824 0.244 1.000 0.500 CB 0.793 Z: 7 6.087 1.534 0.177 0.771 1.000 0.833 CA 1.082 7 residues pruned to eliminate duplicates Z: 30 28.139 2.247 0.871 0.565 0.828 0.517 CB 1.411 30 residues pruned to eliminate duplicates Z: 32 41.412 2.323 1.081 0.547 0.871 0.613 CA 1.687 32 residues pruned to eliminate duplicates Z: 18 11.838 1.934 0.684 0.444 0.824 0.706 CB 1.134 18 residues pruned to eliminate duplicates Z: 12 16.546 1.981 0.356 0.910 1.000 0.909 CA 1.317 12 residues pruned to eliminate duplicates Z: 16 38.670 2.295 1.056 0.848 0.933 0.467 CA 1.682 16 residues pruned to eliminate duplicates Z: 29 26.976 2.116 0.872 0.465 0.893 0.607 CB 1.493 29 residues pruned to eliminate duplicates Z: 8 8.849 1.693 0.795 0.762 0.714 0.571 CB 1.221 8 residues pruned to eliminate duplicates Z: 13 14.546 2.062 0.855 0.464 0.917 0.667 CB 1.242 13 residues pruned to eliminate duplicates Z: 68 51.727 2.309 0.837 0.470 0.896 0.463 CB 1.714 68 residues pruned to eliminate duplicates Z: 12 21.721 1.897 0.652 0.904 1.000 0.909 CA 1.488 12 residues pruned to eliminate duplicates Z: 36 25.644 2.068 0.793 0.393 0.857 0.429 CA 1.528 36 residues pruned to eliminate duplicates Z: 45 43.067 2.237 0.950 0.480 0.932 0.386 CB 1.630 45 residues pruned to eliminate duplicates Z: 12 27.938 2.126 0.870 0.916 1.000 0.909 CA 1.496 12 residues pruned to eliminate duplicates Z: 8 2.570 1.857 0.545 0.207 0.429 0.286 CB 1.118 8 residues pruned to eliminate duplicates Z: 43 44.062 2.262 1.078 0.491 0.905 0.595 CB 1.613 43 residues pruned to eliminate duplicates Z: 13 7.702 1.637 0.715 0.342 0.833 0.250 CB 1.129 13 residues pruned to eliminate duplicates Z: 26 53.525 2.483 1.232 0.657 0.920 0.480 CA 1.815 26 residues pruned to eliminate duplicates Z: 18 8.421 1.822 0.961 0.328 0.588 0.353 CB 1.173 18 residues pruned to eliminate duplicates Z: 8 6.573 1.994 0.674 0.167 0.857 0.571 CB 1.301 Z: 11 16.341 1.966 0.552 0.872 1.000 0.900 CA 1.235 11 residues pruned to eliminate duplicates Z: 35 35.157 2.236 1.012 0.431 0.912 0.618 CB 1.579 35 residues pruned to eliminate duplicates Z: 11 15.138 2.016 0.633 0.812 0.900 0.700 CA 1.232 11 residues pruned to eliminate duplicates Z: 11 14.237 1.945 1.126 0.832 0.800 0.600 CA 1.022 11 residues pruned to eliminate duplicates Z: 15 32.908 2.319 0.940 0.899 0.929 0.857 CA 1.504 15 residues pruned to eliminate duplicates Z: 8 12.933 1.720 1.186 0.772 1.000 0.714 CA 1.023 8 residues pruned to eliminate duplicates Z: 7 7.975 1.870 0.206 0.638 1.000 0.833 CA 1.269 8 residues pruned to eliminate duplicates Z: 15 31.233 2.281 0.892 0.858 0.929 0.786 CB 1.534 15 residues pruned to eliminate duplicates Z: 8 16.205 2.001 0.639 0.864 0.857 0.571 CB 1.597 8 residues pruned to eliminate duplicates Z: 17 12.682 2.108 0.514 0.332 0.875 0.375 CB 1.365 17 residues pruned to eliminate duplicates Z: 11 12.172 2.023 0.679 0.473 0.900 0.600 CB 1.295 11 residues pruned to eliminate duplicates Z: 9 7.604 1.842 0.008 0.563 1.000 0.750 CB 1.361 Z: 8 20.547 2.258 1.261 0.842 0.714 0.571 CA 1.586 8 residues pruned to eliminate duplicates Z: 35 39.191 2.326 0.929 0.496 0.941 0.618 CB 1.598 35 residues pruned to eliminate duplicates Z: 15 9.697 1.862 0.390 0.423 0.714 0.714 CB 1.518 8 residues pruned to eliminate duplicates Z: 24 16.756 2.169 0.501 0.379 0.826 0.391 CB 1.478 24 residues pruned to eliminate duplicates Z: 72 55.999 2.293 0.991 0.523 0.859 0.465 CB 1.656 74 residues pruned to eliminate duplicates Z: 12 10.838 1.993 0.513 0.579 0.636 0.455 CA 1.579 12 residues pruned to eliminate duplicates Z: 7 4.836 2.119 -0.087 0.658 1.000 0.667 CB 0.881 Z: 11 6.702 1.727 -0.082 0.464 1.000 0.600 CB 1.387 Z: 8 6.730 1.866 0.513 0.341 0.857 0.429 CB 1.249 8 residues pruned to eliminate duplicates Z: 13 19.633 1.877 1.035 0.823 0.833 0.583 CA 1.345 13 residues pruned to eliminate duplicates Z: 28 27.724 2.268 0.671 0.476 0.889 0.519 CB 1.623 28 residues pruned to eliminate duplicates Z: 9 18.555 1.822 0.733 0.868 1.000 0.500 CB 1.518 9 residues pruned to eliminate duplicates Z: 19 13.058 2.068 0.460 0.288 0.889 0.500 CB 1.456 19 residues pruned to eliminate duplicates Z: 71 64.361 2.211 1.211 0.537 0.929 0.571 CB 1.634 71 residues pruned to eliminate duplicates Z: 8 7.012 1.765 0.261 0.503 0.857 0.286 CB 1.385 8 residues pruned to eliminate duplicates Z: 23 28.199 2.168 1.047 0.514 0.955 0.636 CB 1.400 23 residues pruned to eliminate duplicates Z: 9 8.735 2.149 0.925 0.293 0.750 0.625 CA 1.256 9 residues pruned to eliminate duplicates Z: 13 41.310 2.332 1.315 0.921 1.000 0.750 CA 1.555 13 residues pruned to eliminate duplicates 6 1.353 1.474 -0.291 0.441 0.600 0.600 C 1.025 ? Z: 7 3.729 1.510 0.739 0.249 0.667 0.500 CB 1.160 Z: 6 8.117 1.817 0.663 0.685 1.000 0.800 CB 1.014 Z: 16 54.595 2.493 1.385 0.859 1.000 0.800 CB 1.744 16 residues pruned to eliminate duplicates Z: 6 6.637 2.025 0.164 0.297 1.000 0.600 CA 1.579 Z: 30 31.532 2.269 0.752 0.480 0.862 0.483 CB 1.745 30 residues pruned to eliminate duplicates Z: 21 11.836 1.997 0.471 0.361 0.800 0.350 CB 1.308 21 residues pruned to eliminate duplicates Z: 15 20.026 2.200 0.750 0.436 0.929 0.571 CB 1.601 15 residues pruned to eliminate duplicates Z: 67 43.912 2.282 0.716 0.541 0.864 0.530 CB 1.536 67 residues pruned to eliminate duplicates Z: 32 26.576 2.109 0.749 0.420 0.839 0.484 CB 1.678 32 residues pruned to eliminate duplicates Z: 11 30.456 2.335 0.700 0.923 1.000 1.000 CB 1.705 11 residues pruned to eliminate duplicates Z: 25 23.819 2.177 0.719 0.478 0.917 0.458 CB 1.449 25 residues pruned to eliminate duplicates Z: 9 12.659 2.003 0.377 0.511 1.000 0.625 CB 1.605 9 residues pruned to eliminate duplicates Z: 29 24.217 2.097 0.957 0.450 0.786 0.536 CB 1.494 29 residues pruned to eliminate duplicates Z: 12 22.328 1.888 1.091 0.892 1.000 0.818 CA 1.224 12 residues pruned to eliminate duplicates Z: 13 11.486 1.951 0.603 0.554 0.833 0.750 CB 1.207 Z: 7 6.349 2.101 0.932 0.330 0.667 0.500 CB 1.153 7 residues pruned to eliminate duplicates Z: 7 6.442 1.526 0.334 0.846 0.833 0.833 N 1.152 7 residues pruned to eliminate duplicates Z: 14 17.887 2.042 0.670 0.630 0.846 0.769 CB 1.522 Z: 31 30.457 2.072 1.050 0.518 0.833 0.600 CB 1.543 31 residues pruned to eliminate duplicates Z: 8 2.944 1.578 -0.112 0.501 0.857 0.429 CB 0.925 Z: 13 38.402 2.492 0.788 0.889 1.000 0.833 CB 1.791 13 residues pruned to eliminate duplicates Z: 12 15.895 1.930 0.694 0.819 0.909 0.364 CB 1.223 12 residues pruned to eliminate duplicates Z: 16 13.107 1.910 0.789 0.413 0.867 0.467 CB 1.252 16 residues pruned to eliminate duplicates Z: 25 23.537 2.217 0.645 0.409 0.833 0.500 CB 1.739 25 residues pruned to eliminate duplicates Z: 15 34.689 2.133 1.213 0.820 0.929 0.571 CB 1.602 15 residues pruned to eliminate duplicates Z: 39 45.818 2.342 0.881 0.591 0.921 0.526 CB 1.679 39 residues pruned to eliminate duplicates Z: 28 24.811 2.169 0.872 0.490 0.852 0.519 CB 1.395 28 residues pruned to eliminate duplicates Z: 10 5.323 1.896 0.272 0.307 0.889 0.667 CB 1.027 10 residues pruned to eliminate duplicates 6 1.648 1.475 0.302 0.329 0.400 0.400 CB 1.157 ? Z: 14 4.660 1.898 0.209 0.159 0.615 0.385 CA 1.387 14 residues pruned to eliminate duplicates Z: 18 13.070 2.241 0.367 0.438 0.882 0.529 CB 1.250 18 residues pruned to eliminate duplicates Z: 47 55.817 2.286 1.075 0.605 0.935 0.674 CB 1.679 56 residues pruned to eliminate duplicates Z: 23 37.478 2.175 0.984 0.696 0.955 0.727 CA 1.622 23 residues pruned to eliminate duplicates 6 1.992 1.491 -0.172 0.572 1.000 0.600 CB 0.673 ? Z: 6 3.771 1.579 0.789 0.329 0.600 0.400 N 1.200 Z: 8 17.727 2.005 0.745 0.884 0.857 0.571 CB 1.614 8 residues pruned to eliminate duplicates Z: 6 3.349 1.575 0.431 0.788 0.600 0.400 CB 0.860 Z: 53 69.320 2.417 1.197 0.555 0.962 0.500 CB 1.784 53 residues pruned to eliminate duplicates Z: 18 16.071 2.237 0.694 0.340 0.882 0.471 CB 1.388 18 residues pruned to eliminate duplicates Z: 17 39.560 2.221 1.053 0.884 1.000 0.625 CB 1.566 17 residues pruned to eliminate duplicates Z: 24 24.057 2.173 0.710 0.509 0.826 0.609 CB 1.619 24 residues pruned to eliminate duplicates Z: 7 8.157 1.813 0.467 0.752 0.833 0.500 CB 1.200 7 residues pruned to eliminate duplicates Z: 30 20.174 1.963 0.706 0.472 0.828 0.517 CB 1.391 30 residues pruned to eliminate duplicates Z: 13 19.064 1.880 0.706 0.889 1.000 0.917 CA 1.235 13 residues pruned to eliminate duplicates Z: 11 30.111 2.239 1.487 0.761 0.900 0.600 CA 1.507 11 residues pruned to eliminate duplicates Z: 69 62.270 2.296 1.027 0.547 0.926 0.471 CB 1.673 69 residues pruned to eliminate duplicates Z: 17 42.372 2.220 0.981 0.895 1.000 0.625 CB 1.727 17 residues pruned to eliminate duplicates Z: 8 8.882 2.028 0.412 0.639 1.000 0.857 CB 1.030 8 residues pruned to eliminate duplicates Z: 17 35.020 2.013 1.035 0.895 1.000 0.438 CB 1.531 17 residues pruned to eliminate duplicates Z: 11 15.417 2.290 0.366 0.349 1.000 0.500 CB 1.837 11 residues pruned to eliminate duplicates Z: 15 10.300 1.962 0.525 0.400 0.714 0.286 CB 1.430 15 residues pruned to eliminate duplicates Z: 7 3.136 1.803 0.474 0.269 0.500 0.333 CB 1.252 8 residues pruned to eliminate duplicates Z: 9 3.909 1.756 0.391 0.147 0.875 0.250 CB 1.000 Z: 10 13.405 1.909 1.059 0.591 0.778 0.556 CB 1.339 Z: 15 11.034 1.848 0.674 0.403 0.786 0.286 N 1.343 15 residues pruned to eliminate duplicates Z: 29 42.458 2.451 1.094 0.550 0.929 0.607 CB 1.603 30 residues pruned to eliminate duplicates Z: 20 16.947 2.184 0.856 0.558 0.684 0.632 CB 1.325 20 residues pruned to eliminate duplicates Z: 6 3.238 1.679 0.174 0.294 1.000 0.800 CB 0.924 Z: 18 14.399 1.904 0.870 0.334 0.882 0.529 CB 1.333 18 residues pruned to eliminate duplicates Z: 6 7.413 1.646 1.292 0.292 0.800 0.600 O 1.388 6 residues pruned to eliminate duplicates Z: 6 3.953 2.018 0.068 0.376 1.000 0.600 CB 0.936 6 residues pruned to eliminate duplicates Z: 39 36.900 2.297 1.068 0.507 0.868 0.553 CB 1.441 39 residues pruned to eliminate duplicates Z: 6 9.810 1.966 0.870 0.839 0.600 0.400 O 1.485 6 residues pruned to eliminate duplicates Z: 6 2.637 1.729 -0.229 0.641 0.800 0.600 CB 0.969 Z: 6 10.777 1.641 0.604 0.731 1.000 0.400 N 1.488 Z: 7 8.647 1.828 0.699 0.753 0.667 0.500 CA 1.361 Z: 11 14.204 1.916 0.842 0.678 0.700 0.600 CB 1.543 11 residues pruned to eliminate duplicates Z: 6 3.065 1.547 0.088 0.453 0.800 0.600 N 1.069 Z: 13 37.040 2.352 1.097 0.906 0.917 0.833 CB 1.683 15 residues pruned to eliminate duplicates Z: 17 27.661 1.996 0.890 0.851 0.875 0.750 CA 1.552 17 residues pruned to eliminate duplicates Z: 10 13.522 2.003 0.817 0.433 0.889 0.444 CB 1.494 10 residues pruned to eliminate duplicates Z: 60 52.881 2.275 1.096 0.478 0.881 0.475 CB 1.674 60 residues pruned to eliminate duplicates Z: 24 16.418 2.123 0.469 0.495 0.957 0.565 CB 1.153 32 residues pruned to eliminate duplicates Z: 10 7.678 1.798 0.557 0.317 0.889 0.444 CB 1.260 10 residues pruned to eliminate duplicates Z: 25 38.402 2.161 1.037 0.680 1.000 0.917 CB 1.509 25 residues pruned to eliminate duplicates Z: 9 10.925 1.736 0.768 0.774 0.750 0.250 CB 1.318 9 residues pruned to eliminate duplicates Z: 23 21.578 2.192 0.936 0.451 0.818 0.500 CB 1.393 23 residues pruned to eliminate duplicates Z: 10 10.310 1.983 0.738 0.460 0.889 0.667 CB 1.169 Z: 17 11.968 2.277 0.373 0.442 0.875 0.562 CB 1.161 17 residues pruned to eliminate duplicates Z: 24 22.655 2.239 0.813 0.408 0.783 0.478 CB 1.637 24 residues pruned to eliminate duplicates Z: 6 2.876 1.897 0.001 0.404 1.000 0.600 CB 0.749 Z: 7 9.607 1.892 0.702 0.678 0.833 0.667 CB 1.241 7 residues pruned to eliminate duplicates Z: 38 38.632 2.258 0.964 0.489 0.919 0.459 CB 1.575 38 residues pruned to eliminate duplicates Z: 17 28.144 2.187 0.874 0.911 0.875 0.688 CB 1.391 17 residues pruned to eliminate duplicates Z: 10 38.339 2.215 1.310 0.917 1.000 0.778 CB 1.763 10 residues pruned to eliminate duplicates Z: 7 3.042 1.508 0.182 0.390 0.667 0.500 CB 1.174 Z: 6 2.815 1.573 0.440 0.295 0.600 0.600 CB 1.166 Z: 28 22.729 2.161 0.622 0.367 0.815 0.481 CA 1.766 28 residues pruned to eliminate duplicates Z: 23 39.803 2.191 0.967 0.734 1.000 0.636 CA 1.595 23 residues pruned to eliminate duplicates Z: 6 3.042 1.806 0.546 0.320 0.600 0.400 CB 0.991 6 residues pruned to eliminate duplicates Z: 14 42.655 2.368 1.145 0.921 1.000 0.615 CA 1.640 14 residues pruned to eliminate duplicates Z: 49 35.791 2.228 0.823 0.447 0.854 0.583 CB 1.573 49 residues pruned to eliminate duplicates Z: 9 4.363 1.747 0.455 0.455 0.750 0.500 CB 0.847 Z: 7 5.831 1.758 0.960 0.386 1.000 0.333 CB 0.780 9 residues pruned to eliminate duplicates Z: 13 28.178 2.123 0.916 0.858 1.000 0.833 CA 1.473 13 residues pruned to eliminate duplicates Z: 6 4.941 1.716 0.227 0.479 1.000 0.600 CA 1.071 6 residues pruned to eliminate duplicates Z: 9 15.339 1.829 0.841 0.841 0.875 0.750 CB 1.373 9 residues pruned to eliminate duplicates Z: 16 34.539 2.182 1.070 0.935 0.933 0.933 CA 1.474 16 residues pruned to eliminate duplicates Z: 11 6.971 1.884 0.407 0.277 0.800 0.300 CB 1.339 11 residues pruned to eliminate duplicates Z: 13 37.879 2.154 1.118 0.906 1.000 0.750 CB 1.705 13 residues pruned to eliminate duplicates Z: 8 3.926 1.864 0.377 0.280 0.857 0.429 CB 0.865 Z: 6 13.338 1.864 1.046 0.507 1.000 1.000 CA 1.554 6 residues pruned to eliminate duplicates Z: 6 5.604 1.617 0.552 0.480 0.800 0.600 CB 1.274 6 residues pruned to eliminate duplicates Z: 39 45.356 2.178 1.087 0.535 1.000 0.605 CB 1.564 39 residues pruned to eliminate duplicates Z: 7 2.403 1.592 0.376 0.350 0.667 0.500 CB 0.790 Z: 12 16.136 2.097 0.668 0.502 0.818 0.545 CB 1.697 12 residues pruned to eliminate duplicates Z: 76 42.090 2.247 0.660 0.406 0.920 0.520 CB 1.562 76 residues pruned to eliminate duplicates Z: 12 6.705 1.675 0.593 0.478 0.727 0.364 CB 1.065 12 residues pruned to eliminate duplicates Z: 39 28.032 2.172 0.817 0.453 0.868 0.447 CB 1.392 39 residues pruned to eliminate duplicates Z: 6 13.789 2.028 0.987 0.840 1.000 0.600 CA 1.142 6 residues pruned to eliminate duplicates Z: 34 37.469 2.103 0.995 0.554 0.970 0.667 CB 1.520 34 residues pruned to eliminate duplicates Z: 37 43.870 2.376 1.015 0.478 0.889 0.556 CB 1.756 37 residues pruned to eliminate duplicates Z: 95 65.687 2.300 1.059 0.514 0.894 0.521 CB 1.578 95 residues pruned to eliminate duplicates Z: 41 38.663 2.345 0.939 0.508 0.850 0.500 CB 1.569 41 residues pruned to eliminate duplicates Z: 11 11.861 2.019 0.732 0.472 0.900 0.700 CB 1.227 11 residues pruned to eliminate duplicates Z: 9 14.469 1.766 0.557 0.845 1.000 0.750 CB 1.383 9 residues pruned to eliminate duplicates Z: 6 7.396 1.805 0.811 0.409 0.800 0.200 CA 1.392 6 residues pruned to eliminate duplicates Z: 27 31.117 2.252 0.763 0.493 0.962 0.538 CB 1.610 27 residues pruned to eliminate duplicates Z: 16 23.984 2.255 0.928 0.499 0.867 0.600 CA 1.646 16 residues pruned to eliminate duplicates Z: 14 28.689 2.277 0.755 0.896 1.000 0.846 CA 1.426 14 residues pruned to eliminate duplicates Z: 9 9.873 1.932 0.296 0.838 0.750 0.500 CB 1.389 9 residues pruned to eliminate duplicates 6 0.997 1.696 -0.172 0.475 0.600 0.600 CB 0.542 ? Z: 39 31.643 2.151 0.838 0.460 0.842 0.500 CB 1.606 39 residues pruned to eliminate duplicates Z: 6 3.446 1.341 0.750 0.492 0.800 0.600 CB 0.827 Z: 16 6.958 1.653 0.811 0.354 0.733 0.467 CB 0.959 10 residues pruned to eliminate duplicates Z: 6 3.152 1.891 0.329 0.319 0.600 0.600 N 1.141 Z: 7 4.247 1.726 0.636 0.273 0.667 0.333 CB 1.192 7 residues pruned to eliminate duplicates Z: 9 11.631 1.905 0.447 0.788 0.875 0.375 CB 1.324 9 residues pruned to eliminate duplicates Z: 15 6.447 1.876 0.454 0.228 0.714 0.357 CB 1.216 15 residues pruned to eliminate duplicates Z: 18 22.761 2.307 0.692 0.395 0.882 0.647 CB 1.790 18 residues pruned to eliminate duplicates Z: 12 9.489 1.923 0.888 0.262 0.727 0.364 CB 1.423 12 residues pruned to eliminate duplicates Z: 8 4.702 1.721 0.023 0.440 0.857 0.571 N 1.252 Z: 29 23.560 2.183 0.704 0.447 0.857 0.607 CB 1.474 29 residues pruned to eliminate duplicates Z: 8 5.306 1.789 0.203 0.645 0.714 0.143 CB 1.140 8 residues pruned to eliminate duplicates Z: 19 10.002 1.761 0.687 0.294 0.889 0.500 CB 1.124 19 residues pruned to eliminate duplicates Z: 6 7.725 1.959 0.938 0.495 0.600 0.600 O 1.523 Z: 6 4.560 1.915 -0.083 0.843 1.000 1.000 CB 0.865 Z: 18 29.675 2.198 0.983 0.547 0.941 0.765 CA 1.675 18 residues pruned to eliminate duplicates Z: 49 55.563 2.379 1.181 0.525 0.917 0.604 CB 1.646 49 residues pruned to eliminate duplicates 6 1.904 1.966 -0.321 0.531 1.000 0.400 CB 0.618 ? Z: 16 26.012 2.117 0.884 0.541 1.000 0.467 CB 1.617 16 residues pruned to eliminate duplicates Z: 11 32.038 2.011 1.243 0.898 1.000 0.500 CA 1.606 13 residues pruned to eliminate duplicates Z: 10 15.025 2.106 0.926 0.387 0.778 0.556 CB 1.789 10 residues pruned to eliminate duplicates Z: 18 16.351 2.018 0.784 0.537 0.824 0.706 CB 1.290 14 residues pruned to eliminate duplicates Z: 18 21.178 2.230 0.640 0.579 0.824 0.647 CB 1.581 18 residues pruned to eliminate duplicates Z: 7 3.419 1.869 0.664 0.305 0.833 0.500 CB 0.669 7 residues pruned to eliminate duplicates Z: 18 13.668 2.086 0.502 0.323 0.824 0.529 CB 1.560 18 residues pruned to eliminate duplicates Z: 7 4.995 1.392 0.517 0.673 1.000 0.333 CA 0.823 7 residues pruned to eliminate duplicates Z: 9 3.857 1.886 0.483 0.069 0.625 0.250 N 1.372 9 residues pruned to eliminate duplicates Z: 38 42.342 2.265 0.986 0.559 0.865 0.622 CB 1.690 38 residues pruned to eliminate duplicates Z: 7 11.880 1.658 0.625 0.844 1.000 0.833 CA 1.340 7 residues pruned to eliminate duplicates 7 1.780 1.816 0.093 0.389 0.667 0.667 CB 0.618 ? Z: 6 4.440 1.453 0.089 0.689 1.000 0.600 N 1.055 6 residues pruned to eliminate duplicates Z: 12 6.821 2.059 0.712 0.259 0.727 0.273 CA 1.057 12 residues pruned to eliminate duplicates Z: 29 28.956 2.123 0.860 0.554 0.857 0.607 CB 1.535 29 residues pruned to eliminate duplicates Z: 11 24.757 2.422 0.755 0.833 0.800 0.700 CA 1.727 11 residues pruned to eliminate duplicates Z: 64 36.239 2.152 0.978 0.413 0.825 0.524 CB 1.424 64 residues pruned to eliminate duplicates Z: 15 12.510 1.857 0.632 0.321 0.857 0.643 CB 1.568 15 residues pruned to eliminate duplicates Z: 32 40.908 2.149 1.089 0.638 0.935 0.677 CB 1.537 32 residues pruned to eliminate duplicates Z: 6 2.439 1.599 0.281 0.482 0.600 0.600 CB 0.904 Z: 6 3.733 1.871 0.742 0.645 0.800 0.800 CB 0.559 Z: 37 28.795 2.175 0.853 0.407 0.778 0.472 CB 1.688 37 residues pruned to eliminate duplicates Z: 7 5.667 1.833 0.888 0.285 0.667 0.500 CB 1.277 Z: 13 38.625 2.189 1.068 0.892 1.000 0.750 CA 1.769 13 residues pruned to eliminate duplicates Z: 9 11.093 2.177 0.498 0.745 0.750 0.625 CB 1.288 Z: 25 31.243 2.255 0.855 0.464 0.917 0.583 CB 1.726 25 residues pruned to eliminate duplicates Z: 17 13.049 2.003 0.651 0.384 0.875 0.500 CB 1.275 17 residues pruned to eliminate duplicates Z: 11 5.930 1.672 0.479 0.253 0.800 0.600 CB 1.258 Z: 8 8.966 1.943 0.552 0.857 0.571 0.571 CB 1.449 8 residues pruned to eliminate duplicates Z: 7 4.242 1.731 0.332 0.350 1.000 0.667 CB 0.884 Z: 10 12.091 1.806 1.053 0.441 0.889 0.556 CB 1.299 10 residues pruned to eliminate duplicates Z: 12 22.961 1.815 1.359 0.855 1.000 0.727 CA 1.193 12 residues pruned to eliminate duplicates Z: 19 7.183 1.819 0.640 0.371 0.667 0.222 CB 0.977 19 residues pruned to eliminate duplicates Z: 7 3.169 1.452 0.358 0.441 0.667 0.500 O 1.046 Z: 50 32.310 2.179 0.738 0.372 0.837 0.531 CB 1.670 50 residues pruned to eliminate duplicates Z: 12 13.598 2.032 0.728 0.502 0.909 0.636 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 37.381 2.447 1.212 0.868 0.917 0.583 CB 1.590 13 residues pruned to eliminate duplicates Z: 6 2.185 1.695 0.323 0.121 1.000 0.800 CB 0.702 Z: 17 16.434 2.222 0.710 0.315 0.812 0.688 CB 1.632 17 residues pruned to eliminate duplicates Z: 64 45.732 2.232 0.857 0.497 0.905 0.508 CB 1.541 64 residues pruned to eliminate duplicates Z: 23 9.253 1.845 0.443 0.372 0.864 0.273 CB 0.983 23 residues pruned to eliminate duplicates Z: 6 8.617 1.594 0.348 0.767 1.000 0.600 N 1.415 6 residues pruned to eliminate duplicates Z: 12 5.230 1.666 0.455 0.363 0.818 0.455 CB 0.922 12 residues pruned to eliminate duplicates Z: 15 24.518 2.204 0.594 0.805 0.929 0.857 CB 1.539 13 residues pruned to eliminate duplicates Z: 7 5.114 1.800 -0.017 0.403 1.000 0.833 CB 1.307 Z: 35 30.962 2.302 1.030 0.484 0.853 0.412 CB 1.354 35 residues pruned to eliminate duplicates Z: 24 24.331 2.198 0.821 0.431 0.913 0.478 CB 1.492 24 residues pruned to eliminate duplicates Z: 7 7.873 1.747 0.613 0.621 0.833 0.833 CB 1.221 Z: 38 34.347 2.052 1.024 0.506 0.919 0.541 CB 1.471 38 residues pruned to eliminate duplicates Z: 14 8.062 1.778 0.514 0.418 0.769 0.538 CB 1.176 6 residues pruned to eliminate duplicates Z: 15 7.850 1.782 0.817 0.197 0.643 0.286 CB 1.446 15 residues pruned to eliminate duplicates Z: 6 8.873 1.830 0.456 0.803 1.000 0.400 CA 1.143 6 residues pruned to eliminate duplicates Z: 16 37.368 2.238 1.096 0.908 0.933 0.800 CA 1.565 16 residues pruned to eliminate duplicates Z: 10 3.630 1.680 0.299 0.276 0.556 0.444 CB 1.285 7 residues pruned to eliminate duplicates Z: 42 41.621 2.314 0.943 0.442 0.927 0.390 CB 1.655 42 residues pruned to eliminate duplicates Z: 8 5.159 1.682 0.575 0.415 0.857 0.429 CB 0.939 8 residues pruned to eliminate duplicates Z: 15 7.388 1.750 0.475 0.370 0.857 0.571 CB 1.026 Z: 8 7.949 1.892 0.475 0.517 0.857 0.571 CB 1.235 9 residues pruned to eliminate duplicates Z: 9 11.290 1.978 0.967 0.499 0.750 0.625 CB 1.370 Z: 11 39.433 2.454 1.166 0.906 1.000 0.900 CB 1.669 11 residues pruned to eliminate duplicates Z: 7 6.844 1.772 0.686 0.416 0.833 0.667 CB 1.225 Z: 8 6.497 1.866 0.687 0.349 0.857 0.714 CB 1.072 8 residues pruned to eliminate duplicates Z: 24 39.127 2.370 0.861 0.608 0.957 0.696 CA 1.746 24 residues pruned to eliminate duplicates Z: 15 29.799 2.236 0.944 0.822 0.929 0.786 CB 1.492 15 residues pruned to eliminate duplicates Z: 9 5.108 1.942 0.428 0.308 0.750 0.375 CB 1.075 7 residues pruned to eliminate duplicates Z: 8 3.287 1.587 0.747 0.202 0.571 0.143 CB 1.116 Z: 9 10.947 1.822 0.489 0.787 0.875 0.625 CB 1.267 9 residues pruned to eliminate duplicates Z: 8 13.012 1.806 1.118 0.705 0.857 0.571 CB 1.245 8 residues pruned to eliminate duplicates Z: 13 7.416 1.826 0.642 0.247 0.750 0.333 CB 1.274 13 residues pruned to eliminate duplicates Z: 12 41.942 2.453 1.219 0.910 1.000 0.727 CB 1.648 12 residues pruned to eliminate duplicates Z: 16 27.519 2.030 0.813 0.853 1.000 0.733 CB 1.426 16 residues pruned to eliminate duplicates Z: 27 18.502 2.010 0.924 0.325 0.769 0.308 CB 1.479 34 residues pruned to eliminate duplicates Z: 6 12.548 1.919 0.900 0.720 1.000 0.800 CB 1.262 7 residues pruned to eliminate duplicates Z: 16 6.531 1.700 0.472 0.256 0.867 0.533 CB 1.030 16 residues pruned to eliminate duplicates 6 1.384 1.631 0.776 0.297 0.400 0.400 CB 0.671 ? Z: 60 48.574 2.256 0.871 0.513 0.966 0.407 CB 1.530 60 residues pruned to eliminate duplicates Z: 15 28.131 2.107 0.880 0.915 0.929 0.429 CB 1.444 15 residues pruned to eliminate duplicates Z: 35 37.507 2.294 0.972 0.506 0.853 0.618 CB 1.658 35 residues pruned to eliminate duplicates Z: 25 28.303 2.276 0.850 0.472 0.833 0.500 CB 1.694 25 residues pruned to eliminate duplicates Z: 11 24.802 2.121 0.862 0.891 1.000 0.700 CB 1.428 11 residues pruned to eliminate duplicates Z: 6 4.849 1.573 0.452 0.634 0.800 0.600 CB 1.047 Z: 6 6.712 2.206 0.134 0.579 1.000 0.600 CB 1.112 6 residues pruned to eliminate duplicates Z: 10 7.115 1.465 0.803 0.476 0.778 0.667 O 1.182 Z: 17 11.372 1.931 0.753 0.363 0.688 0.500 CB 1.415 17 residues pruned to eliminate duplicates Z: 36 27.483 2.107 0.703 0.479 0.914 0.486 CB 1.446 41 residues pruned to eliminate duplicates Z: 9 17.438 2.005 1.021 0.677 0.875 0.750 CA 1.478 9 residues pruned to eliminate duplicates Z: 11 8.912 1.805 0.355 0.592 0.900 0.700 CB 1.172 9 residues pruned to eliminate duplicates Z: 9 7.079 1.634 0.828 0.319 0.875 0.250 N 1.169 11 residues pruned to eliminate duplicates Z: 12 5.072 1.745 0.297 0.204 0.727 0.545 CB 1.320 12 residues pruned to eliminate duplicates Z: 13 10.445 1.922 0.698 0.334 0.750 0.250 CB 1.476 7 residues pruned to eliminate duplicates Z: 9 2.767 1.298 0.611 0.604 0.750 0.625 C 0.565 Z: 6 8.218 1.740 0.689 0.499 1.000 0.600 CB 1.252 Z: 7 7.496 2.221 -0.005 0.472 1.000 0.667 CB 1.424 7 residues pruned to eliminate duplicates Z: 33 41.850 2.317 1.157 0.573 0.938 0.469 CB 1.472 33 residues pruned to eliminate duplicates Z: 24 24.399 2.385 0.842 0.409 0.826 0.435 CB 1.542 24 residues pruned to eliminate duplicates Z: 10 3.463 1.793 0.148 0.241 0.667 0.222 CB 1.135 Z: 6 4.172 1.421 0.590 0.390 0.800 0.400 CB 1.160 Z: 9 8.976 2.078 0.806 0.421 0.750 0.500 CB 1.224 9 residues pruned to eliminate duplicates Z: 12 12.601 2.107 0.449 0.366 0.909 0.545 CB 1.581 12 residues pruned to eliminate duplicates Z: 29 27.528 2.061 0.911 0.625 0.786 0.607 CB 1.493 29 residues pruned to eliminate duplicates Z: 23 29.976 2.339 1.181 0.567 0.864 0.636 CB 1.359 23 residues pruned to eliminate duplicates Z: 28 20.130 2.162 0.728 0.471 0.778 0.481 CB 1.374 28 residues pruned to eliminate duplicates 6 0.846 1.331 0.481 0.444 0.600 0.400 N 0.339 ? Z: 13 6.398 1.789 0.462 0.228 0.833 0.250 CB 1.164 Z: 10 25.853 2.068 1.103 0.893 1.000 0.778 CB 1.422 10 residues pruned to eliminate duplicates Z: 28 18.347 1.961 1.035 0.317 0.778 0.481 CB 1.393 28 residues pruned to eliminate duplicates Z: 50 42.892 2.285 0.947 0.468 0.898 0.531 CB 1.584 50 residues pruned to eliminate duplicates Z: 69 62.882 2.260 1.076 0.545 0.941 0.603 CB 1.653 69 residues pruned to eliminate duplicates 6 1.890 1.420 0.613 0.299 0.600 0.400 N 0.769 ? Z: 7 20.883 2.265 1.411 0.853 0.833 0.667 CA 1.385 7 residues pruned to eliminate duplicates Z: 11 15.467 1.849 0.699 0.880 1.000 0.900 CA 1.129 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 37.617 2.312 0.935 0.917 1.000 0.786 CA 1.586 15 residues pruned to eliminate duplicates Z: 24 35.148 2.139 0.976 0.673 0.957 0.652 CA 1.546 24 residues pruned to eliminate duplicates Z: 50 40.282 2.154 0.892 0.530 0.878 0.571 CB 1.562 50 residues pruned to eliminate duplicates Z: 23 34.403 2.203 0.768 0.657 1.000 0.682 CA 1.627 23 residues pruned to eliminate duplicates Z: 25 38.770 2.122 1.068 0.668 0.917 0.625 CB 1.685 25 residues pruned to eliminate duplicates Z: 22 39.683 2.271 0.974 0.677 0.952 0.667 CA 1.724 22 residues pruned to eliminate duplicates Z: 23 40.526 2.207 1.028 0.657 0.955 0.636 CA 1.748 23 residues pruned to eliminate duplicates Z: 20 35.716 2.192 1.066 0.683 0.947 0.579 CB 1.614 20 residues pruned to eliminate duplicates Z: 23 37.993 2.208 0.961 0.685 0.955 0.682 CA 1.654 23 residues pruned to eliminate duplicates Z: 23 36.060 2.220 0.892 0.650 0.955 0.591 CA 1.667 23 residues pruned to eliminate duplicates Z: 24 34.885 2.107 0.872 0.667 0.957 0.609 CB 1.652 24 residues pruned to eliminate duplicates Z: 23 41.274 2.202 1.112 0.654 1.000 0.636 CA 1.639 23 residues pruned to eliminate duplicates Z: 23 40.403 2.213 0.971 0.664 1.000 0.727 CA 1.696 23 residues pruned to eliminate duplicates Z: 24 35.617 2.157 1.066 0.610 0.957 0.739 CB 1.570 24 residues pruned to eliminate duplicates Z: 41 36.385 2.126 0.822 0.554 0.925 0.600 CB 1.524 41 residues pruned to eliminate duplicates Z: 29 32.913 2.100 0.917 0.550 0.893 0.643 CB 1.647 29 residues pruned to eliminate duplicates Z: 24 35.828 2.231 0.956 0.640 0.913 0.696 CA 1.645 24 residues pruned to eliminate duplicates Z: 24 38.181 2.126 1.136 0.690 0.957 0.609 CA 1.541 24 residues pruned to eliminate duplicates Z: 24 40.465 2.197 0.985 0.679 1.000 0.739 CA 1.641 24 residues pruned to eliminate duplicates Z: 38 47.614 2.159 1.180 0.622 0.946 0.568 CB 1.567 38 residues pruned to eliminate duplicates Z: 25 30.520 2.089 0.786 0.647 0.958 0.667 CB 1.519 25 residues pruned to eliminate duplicates Z: 10 4.328 1.730 0.488 0.262 0.667 0.444 N 1.103 10 residues pruned to eliminate duplicates Z: 36 28.535 2.099 1.055 0.442 0.857 0.571 CB 1.384 36 residues pruned to eliminate duplicates Z: 13 9.579 1.740 0.953 0.406 0.750 0.500 O 1.198 13 residues pruned to eliminate duplicates Z: 17 12.919 1.937 0.908 0.255 0.812 0.438 CB 1.424 17 residues pruned to eliminate duplicates Z: 15 14.808 2.011 0.938 0.365 0.857 0.571 CB 1.370 15 residues pruned to eliminate duplicates Z: 38 26.900 2.098 0.953 0.471 0.865 0.514 CB 1.285 38 residues pruned to eliminate duplicates Z: 12 16.165 2.248 0.468 0.409 1.000 0.636 CB 1.624 12 residues pruned to eliminate duplicates Z: 6 4.929 1.671 0.456 0.479 1.000 0.400 CA 0.925 6 residues pruned to eliminate duplicates Z: 20 14.674 2.169 0.477 0.461 0.895 0.579 CB 1.222 20 residues pruned to eliminate duplicates Z: 6 6.092 1.896 0.445 0.449 0.800 0.600 CB 1.310 6 residues pruned to eliminate duplicates Z: 40 28.444 2.257 0.750 0.432 0.846 0.590 CB 1.462 40 residues pruned to eliminate duplicates Z: 78 38.218 2.202 0.797 0.335 0.896 0.506 CB 1.472 78 residues pruned to eliminate duplicates Z: 40 39.953 2.273 0.971 0.479 0.897 0.513 CB 1.625 40 residues pruned to eliminate duplicates Z: 38 32.277 2.324 0.849 0.466 0.838 0.622 CB 1.527 38 residues pruned to eliminate duplicates Z: 38 35.918 2.351 0.820 0.471 0.892 0.595 CB 1.593 39 residues pruned to eliminate duplicates Z: 7 7.985 1.683 0.987 0.455 0.833 0.333 CB 1.225 Z: 6 10.525 2.043 1.273 0.524 0.800 0.000 CB 1.237 6 residues pruned to eliminate duplicates Z: 27 33.576 2.196 1.024 0.470 0.923 0.500 CB 1.654 27 residues pruned to eliminate duplicates Z: 23 29.676 2.215 1.085 0.443 0.909 0.500 CB 1.598 23 residues pruned to eliminate duplicates Z: 43 36.166 2.201 0.964 0.379 0.905 0.595 CA 1.624 43 residues pruned to eliminate duplicates Z: 22 27.767 2.131 0.954 0.507 0.905 0.524 CA 1.598 22 residues pruned to eliminate duplicates Z: 32 20.648 2.053 0.857 0.337 0.806 0.419 CB 1.441 39 residues pruned to eliminate duplicates Z: 39 29.007 2.198 0.844 0.319 0.868 0.526 CB 1.633 39 residues pruned to eliminate duplicates Z: 93 53.738 2.257 0.907 0.471 0.859 0.478 CB 1.562 93 residues pruned to eliminate duplicates Z: 26 25.916 2.146 0.991 0.420 0.880 0.520 CB 1.499 26 residues pruned to eliminate duplicates Z: 26 26.314 2.219 0.897 0.407 0.880 0.560 CB 1.566 26 residues pruned to eliminate duplicates Z: 13 9.280 1.879 0.707 0.234 0.917 0.417 CB 1.241 13 residues pruned to eliminate duplicates Z: 23 34.691 2.304 1.018 0.506 0.909 0.636 CB 1.740 23 residues pruned to eliminate duplicates Z: 24 28.526 2.267 1.070 0.446 0.870 0.522 CB 1.540 24 residues pruned to eliminate duplicates Z: 13 10.782 1.933 0.617 0.324 0.917 0.667 CB 1.318 13 residues pruned to eliminate duplicates Z: 46 22.536 2.012 0.703 0.363 0.778 0.356 CB 1.462 46 residues pruned to eliminate duplicates Z: 23 26.425 2.196 0.908 0.461 0.864 0.636 CB 1.620 23 residues pruned to eliminate duplicates Z: 25 26.912 2.168 0.919 0.403 0.875 0.542 CA 1.671 25 residues pruned to eliminate duplicates Z: 27 30.560 2.217 0.971 0.460 0.885 0.654 CA 1.614 27 residues pruned to eliminate duplicates Z: 23 29.051 2.248 0.893 0.498 0.864 0.636 CB 1.688 23 residues pruned to eliminate duplicates Z: 25 29.234 2.252 0.956 0.460 0.917 0.542 CB 1.539 25 residues pruned to eliminate duplicates Z: 41 38.434 2.249 0.929 0.449 0.850 0.525 CB 1.736 41 residues pruned to eliminate duplicates Z: 38 24.382 2.259 0.696 0.323 0.784 0.351 CB 1.622 38 residues pruned to eliminate duplicates Z: 86 62.847 2.344 0.895 0.523 0.882 0.541 CB 1.701 86 residues pruned to eliminate duplicates Z: 87 69.877 2.310 1.024 0.511 0.919 0.558 CB 1.735 87 residues pruned to eliminate duplicates Z: 92 73.014 2.333 1.067 0.537 0.923 0.593 CB 1.658 92 residues pruned to eliminate duplicates Z: 38 34.906 2.198 1.059 0.367 0.892 0.459 CB 1.639 38 residues pruned to eliminate duplicates Z: 76 46.554 2.177 0.898 0.450 0.880 0.520 CB 1.556 76 residues pruned to eliminate duplicates Z: 21 18.924 2.291 0.968 0.336 0.800 0.450 CB 1.403 21 residues pruned to eliminate duplicates Z: 67 58.053 2.361 0.935 0.504 0.939 0.591 CB 1.658 67 residues pruned to eliminate duplicates Z: 61 59.546 2.299 1.063 0.531 0.967 0.517 CB 1.627 61 residues pruned to eliminate duplicates Z: 85 69.412 2.316 0.962 0.558 0.940 0.560 CB 1.676 85 residues pruned to eliminate duplicates Z: 68 67.506 2.380 1.191 0.519 0.910 0.537 CB 1.705 68 residues pruned to eliminate duplicates Z: 62 55.204 2.314 1.129 0.510 0.869 0.475 CB 1.635 62 residues pruned to eliminate duplicates Z: 108 73.440 2.296 1.079 0.499 0.925 0.542 CB 1.609 140 residues pruned to eliminate duplicates Z: 15 29.450 2.376 1.214 0.646 0.929 0.429 CA 1.405 15 residues pruned to eliminate duplicates Z: 75 57.532 2.255 1.043 0.511 0.905 0.486 CB 1.586 75 residues pruned to eliminate duplicates Z: 69 57.627 2.279 1.143 0.488 0.897 0.544 CB 1.614 69 residues pruned to eliminate duplicates Z: 96 76.138 2.277 1.155 0.550 0.926 0.568 CB 1.636 96 residues pruned to eliminate duplicates Z: 66 52.819 2.299 0.866 0.544 0.877 0.523 CB 1.668 66 residues pruned to eliminate duplicates Z: 92 70.483 2.281 1.078 0.538 0.923 0.516 CB 1.627 92 residues pruned to eliminate duplicates Z: 83 64.756 2.318 0.974 0.574 0.902 0.598 CB 1.613 83 residues pruned to eliminate duplicates Z: 29 35.202 2.257 0.972 0.506 0.893 0.607 CB 1.665 29 residues pruned to eliminate duplicates Z: 107 83.830 2.333 1.104 0.570 0.943 0.613 CB 1.643 108 residues pruned to eliminate duplicates Z: 9 23.619 2.283 0.898 0.633 1.000 0.750 CA 1.702 9 residues pruned to eliminate duplicates Z: 91 70.269 2.312 1.106 0.542 0.922 0.611 CB 1.583 91 residues pruned to eliminate duplicates Z: 60 40.287 2.338 0.867 0.474 0.763 0.475 CB 1.619 60 residues pruned to eliminate duplicates Z: 91 80.469 2.331 1.230 0.570 0.911 0.633 CB 1.673 91 residues pruned to eliminate duplicates Z: 91 72.099 2.286 1.063 0.555 0.933 0.589 CB 1.638 91 residues pruned to eliminate duplicates Z: 86 70.617 2.290 1.176 0.517 0.929 0.541 CB 1.627 86 residues pruned to eliminate duplicates Z: 122 75.526 2.252 1.057 0.529 0.901 0.570 CB 1.599 142 residues pruned to eliminate duplicates Z: 7 13.854 2.010 0.632 0.552 1.000 0.667 CA 1.640 7 residues pruned to eliminate duplicates Z: 90 74.236 2.340 1.171 0.549 0.921 0.596 CB 1.603 90 residues pruned to eliminate duplicates Z: 45 46.876 2.269 1.118 0.484 0.886 0.545 CB 1.686 45 residues pruned to eliminate duplicates Z: 52 59.479 2.374 1.048 0.611 0.902 0.647 CB 1.709 52 residues pruned to eliminate duplicates Z: 43 55.427 2.346 1.039 0.619 0.952 0.762 CB 1.677 43 residues pruned to eliminate duplicates Z: 51 67.985 2.384 1.138 0.628 0.960 0.640 CB 1.741 51 residues pruned to eliminate duplicates Z: 29 34.828 2.339 0.979 0.547 0.857 0.643 CB 1.584 29 residues pruned to eliminate duplicates Z: 25 41.008 2.311 1.102 0.613 0.917 0.667 CB 1.689 25 residues pruned to eliminate duplicates Z: 84 75.591 2.320 1.130 0.576 0.940 0.566 CB 1.660 84 residues pruned to eliminate duplicates Z: 23 50.797 2.430 1.226 0.679 0.955 0.636 CB 1.779 23 residues pruned to eliminate duplicates Z: 51 63.742 2.363 1.216 0.591 0.900 0.600 CB 1.753 51 residues pruned to eliminate duplicates Z: 25 42.008 2.327 1.019 0.682 0.917 0.667 CB 1.684 25 residues pruned to eliminate duplicates Z: 94 72.400 2.291 1.080 0.539 0.914 0.559 CB 1.658 94 residues pruned to eliminate duplicates Z: 93 77.344 2.320 1.096 0.560 0.957 0.576 CB 1.635 93 residues pruned to eliminate duplicates Z: 24 49.278 2.374 1.283 0.656 0.957 0.696 CB 1.716 24 residues pruned to eliminate duplicates Z: 69 66.895 2.395 1.182 0.550 0.912 0.647 CB 1.621 69 residues pruned to eliminate duplicates Z: 24 41.935 2.356 1.059 0.659 0.913 0.783 CB 1.704 24 residues pruned to eliminate duplicates Z: 55 53.387 2.298 1.088 0.560 0.889 0.611 CB 1.608 55 residues pruned to eliminate duplicates Z: 77 54.097 2.263 1.019 0.498 0.868 0.566 CB 1.566 77 residues pruned to eliminate duplicates Z: 24 44.996 2.357 1.221 0.648 0.913 0.652 CB 1.711 24 residues pruned to eliminate duplicates Z: 84 71.482 2.298 1.161 0.573 0.928 0.542 CB 1.587 84 residues pruned to eliminate duplicates Z: 72 64.756 2.293 1.187 0.525 0.915 0.606 CB 1.633 72 residues pruned to eliminate duplicates Z: 94 73.956 2.277 1.109 0.562 0.946 0.505 CB 1.588 94 residues pruned to eliminate duplicates Z: 84 64.791 2.309 1.121 0.514 0.867 0.554 CB 1.651 84 residues pruned to eliminate duplicates Z: 106 80.577 2.314 1.101 0.551 0.952 0.590 CB 1.615 106 residues pruned to eliminate duplicates Z: 91 80.308 2.332 1.161 0.576 0.933 0.600 CB 1.673 91 residues pruned to eliminate duplicates Z: 24 35.643 2.281 0.979 0.606 0.913 0.522 CB 1.630 24 residues pruned to eliminate duplicates Z: 40 44.335 2.433 0.954 0.511 0.897 0.692 CB 1.647 40 residues pruned to eliminate duplicates Z: 42 52.585 2.476 1.066 0.534 0.927 0.634 CB 1.675 42 residues pruned to eliminate duplicates Z: 30 39.701 2.314 1.069 0.605 0.862 0.586 CB 1.617 30 residues pruned to eliminate duplicates Z: 45 48.302 2.377 1.016 0.524 0.955 0.591 CB 1.555 45 residues pruned to eliminate duplicates Z: 27 31.934 2.377 0.795 0.479 0.923 0.538 CB 1.625 27 residues pruned to eliminate duplicates Z: 44 37.118 2.352 0.822 0.446 0.837 0.465 CB 1.668 44 residues pruned to eliminate duplicates Z: 53 45.400 2.410 0.950 0.489 0.885 0.538 CB 1.532 53 residues pruned to eliminate duplicates Z: 43 51.368 2.414 1.106 0.550 0.952 0.690 CB 1.558 43 residues pruned to eliminate duplicates Z: 12 55.692 2.409 1.761 0.937 1.000 0.545 CB 1.756 12 residues pruned to eliminate duplicates Z: 28 40.610 2.503 1.023 0.494 0.926 0.481 CB 1.676 28 residues pruned to eliminate duplicates Z: 29 33.428 2.406 0.967 0.487 0.857 0.536 CB 1.578 29 residues pruned to eliminate duplicates Z: 19 15.398 2.284 0.513 0.350 0.944 0.333 CB 1.309 19 residues pruned to eliminate duplicates Z: 28 39.970 2.497 1.114 0.521 0.889 0.556 CB 1.607 28 residues pruned to eliminate duplicates Z: 42 47.870 2.445 1.062 0.545 0.902 0.634 CB 1.573 42 residues pruned to eliminate duplicates Z: 30 38.760 2.459 1.064 0.549 0.862 0.483 CB 1.568 30 residues pruned to eliminate duplicates Z: 30 44.275 2.450 1.175 0.551 0.931 0.586 CB 1.577 29 residues pruned to eliminate duplicates Z: 6 7.027 2.089 0.647 0.253 0.800 0.400 CB 1.516 6 residues pruned to eliminate duplicates Z: 28 45.721 2.536 1.124 0.538 0.926 0.667 CB 1.699 28 residues pruned to eliminate duplicates Z: 19 23.382 2.425 0.829 0.368 0.889 0.389 CB 1.610 20 residues pruned to eliminate duplicates Z: 6 3.731 1.731 0.217 0.279 1.000 0.800 CA 1.017 Z: 7 5.551 1.622 0.318 0.462 1.000 1.000 CB 1.102 6 residues pruned to eliminate duplicates Z: 6 3.320 1.262 0.501 0.425 1.000 0.600 CB 0.847 12 residues pruned to eliminate duplicates Z: 6 3.862 1.570 0.919 0.297 0.800 0.600 CA 0.899 7 residues pruned to eliminate duplicates Z: 13 24.557 2.036 0.906 0.824 1.000 0.833 CB 1.380 13 residues pruned to eliminate duplicates Z: 45 41.427 2.353 0.820 0.513 0.886 0.545 CB 1.624 45 residues pruned to eliminate duplicates Z: 15 25.076 2.253 0.959 0.570 0.929 0.429 CB 1.527 15 residues pruned to eliminate duplicates Z: 45 40.413 2.367 0.700 0.520 0.932 0.682 CB 1.594 45 residues pruned to eliminate duplicates Z: 15 28.626 2.238 0.960 0.569 0.929 0.571 CA 1.757 15 residues pruned to eliminate duplicates Z: 12 34.714 2.406 1.060 0.710 0.909 0.727 CA 1.920 12 residues pruned to eliminate duplicates Z: 14 27.792 2.167 1.038 0.621 0.923 0.692 CA 1.686 14 residues pruned to eliminate duplicates Z: 14 8.308 1.813 0.502 0.219 0.846 0.308 CB 1.391 14 residues pruned to eliminate duplicates Z: 13 27.199 2.282 1.081 0.728 0.833 0.833 CA 1.616 13 residues pruned to eliminate duplicates Z: 13 19.538 1.857 1.182 0.490 0.917 0.583 CA 1.534 11 residues pruned to eliminate duplicates Z: 7 7.802 1.638 0.826 0.478 0.833 0.833 CA 1.307 7 residues pruned to eliminate duplicates Z: 8 26.182 2.215 1.537 0.641 0.857 0.714 CA 1.800 12 residues pruned to eliminate duplicates Z: 6 6.159 1.649 0.913 0.353 0.800 0.800 N 1.280 6 residues pruned to eliminate duplicates Z: 19 17.522 2.123 0.814 0.462 0.722 0.667 CB 1.544 19 residues pruned to eliminate duplicates Z: 70 55.521 2.320 0.957 0.493 0.870 0.391 CB 1.705 70 residues pruned to eliminate duplicates Z: 25 24.801 2.112 0.697 0.499 0.917 0.500 CB 1.542 25 residues pruned to eliminate duplicates Z: 19 17.072 1.994 0.758 0.548 0.722 0.556 CB 1.517 19 residues pruned to eliminate duplicates Z: 39 30.503 2.167 0.818 0.479 0.789 0.474 CB 1.626 39 residues pruned to eliminate duplicates Z: 15 15.119 2.018 0.647 0.420 0.786 0.357 CA 1.682 15 residues pruned to eliminate duplicates Z: 12 14.778 1.971 0.570 0.591 0.909 0.364 CA 1.452 12 residues pruned to eliminate duplicates Z: 48 40.726 2.161 0.798 0.569 0.872 0.532 CB 1.639 48 residues pruned to eliminate duplicates Z: 26 19.694 2.071 0.539 0.476 0.800 0.360 CB 1.583 26 residues pruned to eliminate duplicates Z: 27 20.529 2.055 0.525 0.491 0.885 0.538 CB 1.465 27 residues pruned to eliminate duplicates Z: 9 11.231 2.131 0.526 0.383 0.875 0.625 CB 1.581 9 residues pruned to eliminate duplicates Z: 10 5.713 2.158 0.100 0.299 0.778 0.444 CB 1.292 10 residues pruned to eliminate duplicates Z: 29 18.429 2.047 0.404 0.483 0.893 0.571 CB 1.380 29 residues pruned to eliminate duplicates Z: 9 8.035 2.053 0.553 0.379 0.750 0.625 CB 1.352 9 residues pruned to eliminate duplicates Z: 18 12.041 1.958 0.700 0.428 0.824 0.471 CB 1.148 17 residues pruned to eliminate duplicates Z: 6 3.612 1.404 1.000 0.394 1.000 0.800 CB 0.644 6 residues pruned to eliminate duplicates Z: 17 7.976 1.858 0.492 0.402 0.812 0.688 CB 0.982 17 residues pruned to eliminate duplicates Z: 24 11.434 1.958 0.487 0.312 0.826 0.565 CB 1.221 24 residues pruned to eliminate duplicates Z: 13 13.651 2.026 0.876 0.412 0.833 0.583 CB 1.365 14 residues pruned to eliminate duplicates Z: 6 5.127 1.506 0.230 0.607 1.000 0.600 CB 1.118 6 residues pruned to eliminate duplicates Z: 15 8.969 1.964 0.479 0.362 0.857 0.429 CB 1.117 13 residues pruned to eliminate duplicates Z: 13 7.380 1.547 0.371 0.527 0.917 0.333 CB 1.067 13 residues pruned to eliminate duplicates Z: 16 10.652 1.953 0.665 0.321 0.800 0.333 CB 1.287 16 residues pruned to eliminate duplicates Z: 16 10.630 2.016 0.586 0.346 0.800 0.467 CB 1.269 16 residues pruned to eliminate duplicates Z: 18 14.580 1.927 0.701 0.438 0.941 0.647 CB 1.222 18 residues pruned to eliminate duplicates Z: 14 8.198 1.875 0.508 0.399 0.923 0.538 CB 0.969 14 residues pruned to eliminate duplicates Z: 7 12.796 1.980 0.727 0.538 1.000 0.667 CB 1.471 7 residues pruned to eliminate duplicates Z: 17 9.459 1.890 0.544 0.375 0.875 0.500 CB 1.058 17 residues pruned to eliminate duplicates Z: 52 25.608 1.958 0.644 0.449 0.882 0.412 CB 1.330 52 residues pruned to eliminate duplicates Z: 35 28.973 2.212 0.985 0.351 0.853 0.412 CB 1.559 35 residues pruned to eliminate duplicates Z: 24 24.939 2.148 1.046 0.413 0.826 0.522 CB 1.569 24 residues pruned to eliminate duplicates Z: 20 30.607 2.272 1.083 0.500 0.842 0.579 CA 1.762 20 residues pruned to eliminate duplicates Z: 27 20.936 2.096 1.101 0.368 0.731 0.500 CB 1.470 27 residues pruned to eliminate duplicates Z: 23 23.774 2.170 1.163 0.356 0.818 0.409 CB 1.542 23 residues pruned to eliminate duplicates Z: 28 21.219 2.122 0.909 0.383 0.778 0.556 CB 1.468 28 residues pruned to eliminate duplicates Z: 22 21.723 2.063 1.159 0.354 0.762 0.524 CB 1.637 22 residues pruned to eliminate duplicates Z: 15 19.245 2.246 1.085 0.373 0.857 0.429 CB 1.469 15 residues pruned to eliminate duplicates Z: 26 25.412 2.149 0.952 0.377 0.840 0.480 CB 1.643 26 residues pruned to eliminate duplicates Z: 12 15.583 2.057 0.960 0.359 0.909 0.455 CB 1.492 12 residues pruned to eliminate duplicates Z: 12 16.838 2.271 0.883 0.289 0.909 0.273 CB 1.655 12 residues pruned to eliminate duplicates Z: 33 30.565 2.259 0.693 0.508 0.906 0.469 CB 1.548 33 residues pruned to eliminate duplicates Z: 50 45.183 2.350 0.886 0.506 0.878 0.551 CB 1.649 50 residues pruned to eliminate duplicates Z: 62 50.091 2.365 0.975 0.492 0.885 0.508 CB 1.563 62 residues pruned to eliminate duplicates Z: 28 21.773 2.146 0.836 0.527 0.741 0.481 CB 1.398 28 residues pruned to eliminate duplicates Z: 39 40.209 2.395 0.834 0.546 0.921 0.658 CB 1.541 39 residues pruned to eliminate duplicates Z: 45 45.564 2.302 0.946 0.531 0.932 0.545 CB 1.597 45 residues pruned to eliminate duplicates Z: 42 33.501 2.250 0.839 0.525 0.854 0.561 CB 1.446 42 residues pruned to eliminate duplicates Z: 25 22.084 2.252 0.623 0.530 0.792 0.625 CB 1.513 25 residues pruned to eliminate duplicates Z: 59 39.627 2.301 0.768 0.471 0.828 0.500 CB 1.591 59 residues pruned to eliminate duplicates Z: 24 29.236 2.325 0.744 0.566 0.870 0.565 CB 1.621 24 residues pruned to eliminate duplicates Z: 25 26.617 2.261 0.769 0.634 0.833 0.583 CB 1.438 25 residues pruned to eliminate duplicates Z: 61 49.020 2.272 0.918 0.519 0.883 0.567 CB 1.613 61 residues pruned to eliminate duplicates Z: 47 47.933 2.317 1.031 0.523 0.913 0.457 CB 1.608 47 residues pruned to eliminate duplicates Z: 17 32.937 2.356 0.830 0.767 0.938 0.812 CB 1.607 17 residues pruned to eliminate duplicates Z: 60 41.264 2.220 0.782 0.462 0.847 0.542 CB 1.665 60 residues pruned to eliminate duplicates Z: 23 26.329 2.251 0.937 0.610 0.773 0.500 CB 1.502 23 residues pruned to eliminate duplicates Z: 47 36.384 2.303 0.852 0.429 0.826 0.587 CB 1.640 47 residues pruned to eliminate duplicates Z: 42 43.470 2.374 0.894 0.497 0.878 0.561 CB 1.725 42 residues pruned to eliminate duplicates Z: 70 53.353 2.356 0.918 0.487 0.870 0.507 CB 1.657 70 residues pruned to eliminate duplicates Z: 29 33.622 2.308 0.925 0.513 0.893 0.571 CB 1.581 29 residues pruned to eliminate duplicates Z: 52 45.152 2.263 0.942 0.493 0.941 0.549 CB 1.539 52 residues pruned to eliminate duplicates Z: 46 40.867 2.355 0.830 0.454 0.889 0.578 CB 1.668 46 residues pruned to eliminate duplicates Z: 37 34.708 2.436 0.862 0.405 0.861 0.611 CB 1.635 37 residues pruned to eliminate duplicates Z: 46 44.257 2.355 0.811 0.494 0.956 0.556 CB 1.629 46 residues pruned to eliminate duplicates Z: 38 38.069 2.389 0.917 0.477 0.838 0.405 CB 1.670 38 residues pruned to eliminate duplicates Z: 43 41.848 2.314 1.033 0.526 0.857 0.524 CB 1.561 43 residues pruned to eliminate duplicates Z: 43 50.162 2.445 1.014 0.537 0.929 0.500 CB 1.633 43 residues pruned to eliminate duplicates Z: 67 50.514 2.313 0.876 0.501 0.894 0.485 CB 1.602 67 residues pruned to eliminate duplicates Z: 52 50.553 2.397 1.007 0.493 0.902 0.588 CB 1.642 52 residues pruned to eliminate duplicates Z: 46 47.479 2.317 0.994 0.527 0.911 0.533 CB 1.638 46 residues pruned to eliminate duplicates Z: 45 45.688 2.356 0.957 0.508 0.909 0.614 CB 1.630 45 residues pruned to eliminate duplicates Z: 61 54.568 2.318 0.967 0.532 0.900 0.600 CB 1.663 73 residues pruned to eliminate duplicates Z: 13 28.985 2.459 0.996 0.605 0.833 0.333 CA 1.850 13 residues pruned to eliminate duplicates Z: 67 44.015 2.280 0.937 0.465 0.833 0.379 CB 1.525 67 residues pruned to eliminate duplicates Z: 53 39.944 2.322 0.952 0.408 0.846 0.462 CB 1.591 53 residues pruned to eliminate duplicates Z: 55 41.425 2.280 0.963 0.507 0.796 0.481 CB 1.571 55 residues pruned to eliminate duplicates Z: 59 47.346 2.358 0.972 0.469 0.862 0.586 CB 1.600 59 residues pruned to eliminate duplicates Z: 45 43.221 2.376 0.981 0.474 0.841 0.545 CB 1.690 45 residues pruned to eliminate duplicates Z: 66 46.441 2.304 0.908 0.496 0.892 0.585 CB 1.474 66 residues pruned to eliminate duplicates Z: 52 48.181 2.324 0.906 0.517 0.902 0.549 CB 1.660 52 residues pruned to eliminate duplicates Z: 68 59.797 2.275 1.055 0.530 0.910 0.522 CB 1.666 66 residues pruned to eliminate duplicates Z: 7 14.331 2.282 1.097 0.852 0.667 0.167 CA 1.356 7 residues pruned to eliminate duplicates Z: 51 35.616 2.304 0.940 0.387 0.760 0.400 CB 1.672 51 residues pruned to eliminate duplicates Z: 84 58.109 2.244 0.952 0.495 0.928 0.554 CB 1.577 84 residues pruned to eliminate duplicates Z: 7 5.591 1.771 0.421 0.414 1.000 0.667 CB 0.992 7 residues pruned to eliminate duplicates Z: 25 29.076 2.154 0.870 0.561 0.875 0.542 CA 1.587 25 residues pruned to eliminate duplicates Z: 45 37.503 2.198 1.032 0.457 0.795 0.432 CB 1.662 45 residues pruned to eliminate duplicates Z: 41 45.080 2.279 1.094 0.476 0.925 0.475 CB 1.655 41 residues pruned to eliminate duplicates Z: 61 40.166 2.194 0.901 0.451 0.867 0.483 CB 1.508 61 residues pruned to eliminate duplicates Z: 51 56.154 2.427 0.957 0.524 0.900 0.500 CB 1.814 51 residues pruned to eliminate duplicates Z: 63 54.488 2.281 1.025 0.556 0.887 0.581 CB 1.599 63 residues pruned to eliminate duplicates Z: 47 33.477 2.131 0.885 0.443 0.870 0.478 CB 1.499 55 residues pruned to eliminate duplicates Z: 6 2.231 1.584 0.759 0.649 0.600 0.400 N 0.519 6 residues pruned to eliminate duplicates Z: 11 14.207 2.108 0.420 0.476 1.000 0.800 CB 1.538 17 residues pruned to eliminate duplicates Z: 6 5.503 1.596 1.030 0.296 0.800 0.400 CA 1.193 6 residues pruned to eliminate duplicates Z: 20 17.260 2.230 0.782 0.435 0.737 0.526 CB 1.445 20 residues pruned to eliminate duplicates Z: 17 21.846 2.235 0.842 0.346 0.938 0.562 CB 1.672 17 residues pruned to eliminate duplicates Z: 20 20.198 2.226 0.852 0.398 0.789 0.526 CB 1.586 20 residues pruned to eliminate duplicates Z: 18 17.229 2.143 0.735 0.411 0.882 0.471 CB 1.399 18 residues pruned to eliminate duplicates Z: 17 17.961 2.279 0.881 0.460 0.750 0.375 CB 1.455 17 residues pruned to eliminate duplicates Z: 15 15.517 2.277 0.679 0.422 0.786 0.571 CB 1.497 15 residues pruned to eliminate duplicates Z: 16 16.854 2.290 0.544 0.465 0.800 0.533 CB 1.596 16 residues pruned to eliminate duplicates Z: 18 18.170 2.245 0.747 0.428 0.824 0.588 CB 1.470 12 residues pruned to eliminate duplicates Z: 6 5.648 1.610 1.177 0.266 0.800 0.400 CA 1.176 5 residues pruned to eliminate duplicates Z: 7 8.446 1.806 1.234 0.376 0.833 0.667 CA 1.171 7 residues pruned to eliminate duplicates Z: 6 11.578 1.780 1.678 0.450 1.000 0.400 N 1.143 Z: 10 21.228 1.861 1.095 0.719 1.000 0.667 CB 1.488 10 residues pruned to eliminate duplicates Z: 26 34.441 2.282 0.816 0.605 0.920 0.720 CB 1.635 26 residues pruned to eliminate duplicates Z: 42 29.762 2.266 0.678 0.435 0.829 0.512 CB 1.577 42 residues pruned to eliminate duplicates Z: 39 37.699 2.332 0.797 0.522 0.921 0.684 CB 1.550 39 residues pruned to eliminate duplicates Z: 10 21.673 2.206 0.653 0.883 1.000 0.889 CA 1.432 10 residues pruned to eliminate duplicates Z: 42 38.046 2.350 0.697 0.545 0.878 0.707 CB 1.624 42 residues pruned to eliminate duplicates Z: 12 15.104 1.938 0.632 0.832 0.909 0.727 CA 1.189 12 residues pruned to eliminate duplicates Z: 32 35.906 2.262 1.045 0.540 0.871 0.484 CB 1.539 31 residues pruned to eliminate duplicates Z: 11 22.665 2.191 0.930 0.815 0.900 0.700 CA 1.432 11 residues pruned to eliminate duplicates Z: 13 24.740 2.285 0.797 0.685 0.917 0.583 CA 1.601 13 residues pruned to eliminate duplicates Z: 31 31.596 2.229 0.905 0.592 0.867 0.700 CB 1.435 31 residues pruned to eliminate duplicates Z: 42 37.260 2.360 0.707 0.516 0.878 0.707 CB 1.620 42 residues pruned to eliminate duplicates Z: 12 37.354 2.542 1.041 0.741 1.000 1.000 CA 1.749 12 residues pruned to eliminate duplicates Z: 31 37.818 2.380 0.785 0.520 0.967 0.633 CB 1.649 31 residues pruned to eliminate duplicates Z: 42 41.470 2.304 0.961 0.548 0.854 0.634 CB 1.603 42 residues pruned to eliminate duplicates Z: 41 29.675 2.177 0.734 0.408 0.925 0.500 CB 1.480 41 residues pruned to eliminate duplicates Z: 17 24.639 2.261 1.170 0.537 0.812 0.625 CB 1.490 17 residues pruned to eliminate duplicates Z: 46 30.867 2.259 0.929 0.467 0.822 0.467 CB 1.328 46 residues pruned to eliminate duplicates Z: 44 47.031 2.318 1.119 0.548 0.907 0.605 CB 1.537 44 residues pruned to eliminate duplicates Z: 25 48.182 2.386 1.225 0.688 0.958 0.667 CB 1.627 25 residues pruned to eliminate duplicates Z: 29 37.236 2.391 1.071 0.492 0.893 0.571 CB 1.605 29 residues pruned to eliminate duplicates Z: 33 36.410 2.317 1.078 0.491 0.875 0.594 CB 1.541 33 residues pruned to eliminate duplicates Z: 43 46.540 2.329 1.073 0.539 0.929 0.571 CB 1.542 43 residues pruned to eliminate duplicates Z: 30 32.768 2.354 0.898 0.522 0.862 0.690 CB 1.545 30 residues pruned to eliminate duplicates Z: 34 35.352 2.283 1.009 0.472 0.939 0.667 CB 1.470 34 residues pruned to eliminate duplicates Z: 28 40.003 2.415 0.861 0.559 0.963 0.704 CB 1.680 28 residues pruned to eliminate duplicates Z: 54 38.846 2.319 0.860 0.451 0.887 0.434 CB 1.467 60 residues pruned to eliminate duplicates Z: 46 38.541 2.220 1.016 0.465 0.867 0.489 CB 1.535 46 residues pruned to eliminate duplicates Z: 25 24.368 2.266 0.805 0.424 0.875 0.417 CB 1.505 25 residues pruned to eliminate duplicates Z: 7 6.589 2.120 0.015 0.353 1.000 0.167 CA 1.466 7 residues pruned to eliminate duplicates Z: 27 31.560 2.282 0.853 0.464 0.923 0.462 CB 1.645 27 residues pruned to eliminate duplicates Z: 28 37.466 2.439 0.879 0.525 0.889 0.667 CB 1.726 28 residues pruned to eliminate duplicates Z: 31 38.139 2.363 1.000 0.535 0.933 0.633 CB 1.525 31 residues pruned to eliminate duplicates Z: 39 40.932 2.266 0.849 0.486 0.947 0.500 CB 1.696 39 residues pruned to eliminate duplicates Z: 28 27.460 2.256 0.874 0.466 0.852 0.444 CB 1.519 28 residues pruned to eliminate duplicates Z: 8 8.498 1.645 0.583 0.346 1.000 0.857 CA 1.457 8 residues pruned to eliminate duplicates Z: 44 36.877 2.241 0.874 0.456 0.907 0.535 CB 1.545 43 residues pruned to eliminate duplicates Z: 12 12.871 1.852 0.294 0.881 1.000 1.000 CA 1.173 12 residues pruned to eliminate duplicates Z: 12 23.885 2.235 0.498 0.744 1.000 0.818 CB 1.728 12 residues pruned to eliminate duplicates Z: 17 21.747 2.076 0.681 0.500 0.938 0.500 CA 1.662 19 residues pruned to eliminate duplicates Z: 12 24.847 2.048 0.937 0.872 1.000 0.727 CB 1.377 12 residues pruned to eliminate duplicates Z: 13 33.465 2.229 1.069 0.671 1.000 0.500 CB 1.788 16 residues pruned to eliminate duplicates Z: 13 21.374 1.899 0.750 0.843 0.917 0.750 CA 1.508 13 residues pruned to eliminate duplicates Z: 14 26.687 2.161 0.880 0.599 0.923 0.538 CA 1.797 14 residues pruned to eliminate duplicates Z: 11 31.058 2.074 1.067 0.906 1.000 0.600 CA 1.629 14 residues pruned to eliminate duplicates Z: 12 22.908 2.000 1.025 0.833 1.000 0.818 CA 1.280 12 residues pruned to eliminate duplicates Z: 19 14.966 2.119 0.825 0.474 0.611 0.389 CB 1.532 Z: 6 10.072 1.825 0.862 0.462 1.000 0.400 CA 1.377 6 residues pruned to eliminate duplicates Z: 30 26.319 2.142 0.732 0.450 0.931 0.517 CB 1.489 19 residues pruned to eliminate duplicates Z: 6 4.278 1.737 0.442 0.276 1.000 0.600 CA 0.984 6 residues pruned to eliminate duplicates Z: 31 26.853 2.221 0.745 0.440 0.833 0.533 CB 1.615 61 residues pruned to eliminate duplicates Z: 21 28.614 2.303 0.714 0.555 0.850 0.650 CA 1.807 Z: 10 8.458 2.155 0.227 0.417 0.778 0.222 CA 1.495 10 residues pruned to eliminate duplicates Z: 31 24.255 2.215 0.669 0.466 0.767 0.533 CB 1.618 52 residues pruned to eliminate duplicates Z: 24 29.063 2.295 0.678 0.527 0.870 0.609 CB 1.762 Z: 8 9.363 1.970 0.648 0.404 0.857 0.429 CB 1.407 8 residues pruned to eliminate duplicates Z: 25 34.441 2.304 0.757 0.538 0.917 0.583 CB 1.826 49 residues pruned to eliminate duplicates Z: 21 26.575 2.212 0.867 0.510 0.900 0.500 CB 1.583 Z: 8 8.020 1.582 0.591 0.518 1.000 0.571 N 1.184 8 residues pruned to eliminate duplicates Z: 85 47.986 2.328 0.755 0.460 0.869 0.536 CB 1.537 85 residues pruned to eliminate duplicates Z: 10 22.634 2.471 0.841 0.503 0.889 0.556 CB 1.860 10 residues pruned to eliminate duplicates Z: 15 20.122 2.328 0.715 0.427 0.857 0.571 CB 1.694 15 residues pruned to eliminate duplicates Z: 59 42.098 2.371 0.725 0.480 0.862 0.655 CB 1.599 59 residues pruned to eliminate duplicates Z: 33 31.923 2.328 0.779 0.476 0.844 0.469 CB 1.655 54 residues pruned to eliminate duplicates Z: 18 22.211 2.263 0.851 0.445 0.824 0.588 CA 1.653 18 residues pruned to eliminate duplicates Z: 15 22.052 2.255 0.691 0.503 0.929 0.500 CB 1.660 15 residues pruned to eliminate duplicates Z: 17 25.619 2.279 0.822 0.492 0.938 0.500 CA 1.659 17 residues pruned to eliminate duplicates Z: 8 20.281 2.201 0.901 0.505 1.000 0.286 CA 1.823 8 residues pruned to eliminate duplicates Z: 8 3.422 2.104 0.375 0.277 0.714 0.571 CB 0.805 8 residues pruned to eliminate duplicates Z: 17 17.971 2.115 0.897 0.544 0.875 0.625 CB 1.226 17 residues pruned to eliminate duplicates Z: 10 12.178 2.059 0.588 0.588 1.000 0.667 CB 1.142 10 residues pruned to eliminate duplicates Z: 22 18.589 2.038 0.816 0.496 0.905 0.571 CB 1.215 22 residues pruned to eliminate duplicates Z: 10 17.367 2.155 0.828 0.524 1.000 1.000 CB 1.435 10 residues pruned to eliminate duplicates Z: 11 13.954 1.985 0.639 0.540 1.000 0.900 CB 1.304 11 residues pruned to eliminate duplicates Z: 13 37.387 2.247 1.274 0.850 0.917 0.917 CB 1.707 20 residues pruned to eliminate duplicates Z: 13 29.226 2.210 0.851 0.841 1.000 0.750 CB 1.538 13 residues pruned to eliminate duplicates Z: 19 18.738 1.984 0.883 0.626 0.833 0.722 CB 1.260 19 residues pruned to eliminate duplicates Z: 27 32.046 2.179 0.895 0.596 0.885 0.654 CB 1.570 54 residues pruned to eliminate duplicates Z: 12 35.881 2.252 1.037 0.913 1.000 0.909 CA 1.669 Z: 13 37.959 2.137 1.181 0.894 1.000 0.750 CA 1.687 13 residues pruned to eliminate duplicates Z: 13 37.988 2.183 1.034 0.916 1.000 0.917 CB 1.745 13 residues pruned to eliminate duplicates Z: 13 31.792 2.190 1.171 0.835 0.917 0.750 CB 1.577 13 residues pruned to eliminate duplicates Z: 14 36.317 2.061 1.153 0.942 1.000 0.769 CB 1.574 14 residues pruned to eliminate duplicates Z: 13 34.534 2.107 1.112 0.857 1.000 0.750 CB 1.651 13 residues pruned to eliminate duplicates Z: 19 9.191 1.980 0.378 0.212 0.833 0.500 CB 1.339 Z: 6 6.600 1.635 0.671 0.568 0.800 0.800 CB 1.264 6 residues pruned to eliminate duplicates Z: 19 10.553 2.039 0.335 0.272 0.889 0.611 CB 1.332 18 residues pruned to eliminate duplicates Z: 6 4.823 1.775 0.556 0.347 0.800 0.400 CA 1.152 6 residues pruned to eliminate duplicates Z: 20 11.484 1.928 0.479 0.270 0.947 0.474 CB 1.266 20 residues pruned to eliminate duplicates Z: 8 4.933 1.737 0.746 0.268 0.714 0.429 CA 1.121 8 residues pruned to eliminate duplicates Z: 16 18.538 2.148 0.602 0.403 1.000 0.533 CB 1.540 20 residues pruned to eliminate duplicates Z: 7 7.348 1.493 0.892 0.391 1.000 0.833 CA 1.192 5 residues pruned to eliminate duplicates Z: 16 39.631 2.269 1.079 0.904 1.000 0.733 CA 1.545 16 residues pruned to eliminate duplicates Z: 27 33.649 2.304 0.816 0.549 0.885 0.769 CB 1.700 27 residues pruned to eliminate duplicates Z: 24 41.258 2.315 0.852 0.662 0.957 0.783 CB 1.806 24 residues pruned to eliminate duplicates Z: 23 42.386 2.314 0.974 0.697 0.909 0.818 CA 1.819 23 residues pruned to eliminate duplicates Z: 22 46.265 2.394 1.016 0.713 0.952 0.762 CA 1.811 22 residues pruned to eliminate duplicates Z: 26 39.473 2.263 0.910 0.594 1.000 0.640 CB 1.670 26 residues pruned to eliminate duplicates Z: 29 29.956 2.251 0.772 0.555 0.893 0.679 CB 1.507 29 residues pruned to eliminate duplicates Z: 26 29.736 2.162 0.856 0.610 0.920 0.720 CB 1.452 26 residues pruned to eliminate duplicates Z: 24 31.875 2.202 0.985 0.646 0.870 0.652 CB 1.527 24 residues pruned to eliminate duplicates Z: 40 32.956 2.220 0.756 0.521 0.846 0.590 CB 1.567 38 residues pruned to eliminate duplicates 6 1.833 1.477 0.455 0.111 0.600 0.200 CB 1.040 ? Z: 6 7.743 1.832 0.912 0.378 0.800 0.600 N 1.408 6 residues pruned to eliminate duplicates Z: 22 50.712 2.411 1.160 0.711 0.952 0.762 CA 1.842 22 residues pruned to eliminate duplicates Z: 29 35.428 2.234 0.972 0.574 0.929 0.679 CB 1.525 29 residues pruned to eliminate duplicates Z: 28 42.681 2.268 0.932 0.672 0.963 0.778 CB 1.661 28 residues pruned to eliminate duplicates Z: 29 41.858 2.222 1.155 0.596 0.929 0.643 CB 1.624 29 residues pruned to eliminate duplicates Z: 27 12.411 1.992 0.549 0.277 0.731 0.346 CB 1.390 27 residues pruned to eliminate duplicates Z: 24 13.023 1.999 0.689 0.304 0.826 0.522 CB 1.210 24 residues pruned to eliminate duplicates Z: 24 15.309 2.034 0.774 0.290 0.826 0.478 CB 1.356 21 residues pruned to eliminate duplicates Z: 6 6.440 2.041 0.684 0.295 0.800 0.200 CA 1.317 6 residues pruned to eliminate duplicates Z: 38 32.643 2.267 1.018 0.409 0.865 0.541 CB 1.492 41 residues pruned to eliminate duplicates Z: 7 4.666 1.584 0.477 0.436 0.833 0.500 CB 1.043 7 residues pruned to eliminate duplicates Z: 15 17.159 2.294 0.688 0.401 0.857 0.571 CB 1.534 15 residues pruned to eliminate duplicates Z: 35 15.134 2.068 0.513 0.263 0.765 0.471 CB 1.421 28 residues pruned to eliminate duplicates Z: 10 7.094 1.746 0.512 0.348 0.778 0.222 CB 1.359 Z: 7 4.189 1.738 0.718 0.469 0.833 0.167 CB 0.709 7 residues pruned to eliminate duplicates Z: 24 36.282 2.359 1.179 0.417 0.870 0.522 CB 1.846 34 residues pruned to eliminate duplicates Z: 19 30.201 2.338 1.083 0.433 0.833 0.444 CA 1.880 19 residues pruned to eliminate duplicates Z: 20 33.170 2.378 1.135 0.460 0.895 0.526 CB 1.745 20 residues pruned to eliminate duplicates Z: 40 29.281 2.232 0.908 0.348 0.795 0.487 CB 1.633 40 residues pruned to eliminate duplicates Z: 26 35.728 2.355 1.111 0.456 0.880 0.560 CB 1.708 26 residues pruned to eliminate duplicates Z: 39 34.951 2.208 1.039 0.393 0.868 0.605 CB 1.624 39 residues pruned to eliminate duplicates Z: 21 36.376 2.320 1.171 0.446 0.950 0.500 CA 1.796 21 residues pruned to eliminate duplicates Z: 21 29.583 2.319 1.064 0.448 0.850 0.600 CB 1.716 21 residues pruned to eliminate duplicates Z: 40 29.497 2.173 0.892 0.377 0.846 0.462 CB 1.549 40 residues pruned to eliminate duplicates Z: 9 4.333 2.029 0.781 0.127 0.625 0.250 CB 1.081 9 residues pruned to eliminate duplicates Z: 12 6.628 1.989 0.702 0.268 0.727 0.455 CB 1.057 12 residues pruned to eliminate duplicates Z: 14 12.620 2.086 0.525 0.371 0.923 0.462 CA 1.368 14 residues pruned to eliminate duplicates Z: 25 31.526 2.277 1.084 0.407 0.875 0.583 CB 1.708 25 residues pruned to eliminate duplicates Z: 9 3.426 2.073 0.638 0.062 0.625 0.375 CB 1.015 9 residues pruned to eliminate duplicates Z: 30 24.524 2.207 0.936 0.358 0.828 0.517 CB 1.501 30 residues pruned to eliminate duplicates Z: 27 30.099 2.237 1.128 0.422 0.846 0.615 CB 1.590 27 residues pruned to eliminate duplicates Z: 11 6.552 2.051 0.482 0.207 0.700 0.300 CA 1.377 11 residues pruned to eliminate duplicates Z: 85 58.790 2.317 0.933 0.492 0.857 0.476 CB 1.685 85 residues pruned to eliminate duplicates Z: 7 6.113 2.225 0.478 0.245 0.667 0.500 CB 1.529 7 residues pruned to eliminate duplicates Z: 43 48.949 2.415 1.046 0.500 0.881 0.595 CB 1.736 43 residues pruned to eliminate duplicates Z: 91 54.540 2.251 0.931 0.453 0.867 0.522 CB 1.601 91 residues pruned to eliminate duplicates Z: 76 54.971 2.329 1.001 0.432 0.867 0.507 CB 1.687 76 residues pruned to eliminate duplicates Z: 44 48.236 2.393 1.018 0.485 0.907 0.535 CB 1.705 44 residues pruned to eliminate duplicates Z: 70 52.691 2.300 1.004 0.456 0.855 0.609 CB 1.683 70 residues pruned to eliminate duplicates Z: 88 50.007 2.240 0.926 0.433 0.839 0.517 CB 1.587 88 residues pruned to eliminate duplicates Z: 36 32.785 2.164 0.995 0.476 0.800 0.514 CB 1.643 36 residues pruned to eliminate duplicates Z: 66 50.409 2.333 0.951 0.457 0.815 0.554 CB 1.760 66 residues pruned to eliminate duplicates Z: 78 57.392 2.324 0.968 0.422 0.909 0.494 CB 1.706 78 residues pruned to eliminate duplicates Z: 62 40.485 2.257 0.920 0.406 0.836 0.492 CB 1.578 62 residues pruned to eliminate duplicates Z: 73 42.577 2.197 0.867 0.429 0.819 0.514 CB 1.607 84 residues pruned to eliminate duplicates Z: 63 55.174 2.379 0.973 0.512 0.871 0.597 CB 1.693 63 residues pruned to eliminate duplicates Z: 68 47.484 2.320 0.922 0.445 0.836 0.463 CB 1.647 68 residues pruned to eliminate duplicates Z: 55 42.053 2.273 0.875 0.444 0.833 0.444 CB 1.707 55 residues pruned to eliminate duplicates Z: 54 43.590 2.310 1.023 0.460 0.811 0.509 CB 1.644 54 residues pruned to eliminate duplicates Z: 44 46.402 2.361 1.121 0.446 0.860 0.442 CB 1.736 44 residues pruned to eliminate duplicates Z: 39 45.921 2.380 0.926 0.540 0.921 0.421 CB 1.697 39 residues pruned to eliminate duplicates Z: 61 56.349 2.387 1.021 0.519 0.850 0.550 CB 1.741 61 residues pruned to eliminate duplicates Z: 67 57.611 2.349 1.003 0.492 0.894 0.470 CB 1.699 67 residues pruned to eliminate duplicates Z: 49 45.380 2.339 1.112 0.455 0.854 0.438 CB 1.625 49 residues pruned to eliminate duplicates Z: 71 33.043 2.175 0.720 0.375 0.829 0.471 CB 1.456 71 residues pruned to eliminate duplicates Z: 44 48.579 2.400 1.019 0.463 0.907 0.465 CB 1.750 44 residues pruned to eliminate duplicates Z: 61 64.076 2.383 1.217 0.484 0.917 0.517 CB 1.737 61 residues pruned to eliminate duplicates Z: 66 46.347 2.239 0.940 0.483 0.831 0.462 CB 1.621 66 residues pruned to eliminate duplicates Z: 40 46.193 2.371 1.160 0.546 0.846 0.462 CB 1.632 40 residues pruned to eliminate duplicates Z: 45 46.490 2.362 1.038 0.473 0.886 0.500 CB 1.688 45 residues pruned to eliminate duplicates Z: 45 44.972 2.362 1.162 0.485 0.864 0.409 CB 1.560 45 residues pruned to eliminate duplicates Z: 24 14.839 2.071 0.698 0.275 0.783 0.348 CB 1.450 24 residues pruned to eliminate duplicates Z: 62 56.839 2.363 1.110 0.515 0.869 0.508 CB 1.656 62 residues pruned to eliminate duplicates Z: 23 33.088 2.266 1.031 0.420 0.955 0.500 CB 1.746 23 residues pruned to eliminate duplicates Z: 64 54.670 2.303 1.058 0.512 0.841 0.524 CA 1.708 64 residues pruned to eliminate duplicates Z: 63 57.914 2.392 1.110 0.482 0.855 0.565 CB 1.735 63 residues pruned to eliminate duplicates Z: 38 52.781 2.348 1.143 0.566 0.946 0.595 CB 1.711 38 residues pruned to eliminate duplicates Z: 49 54.102 2.372 1.195 0.499 0.875 0.458 CB 1.716 49 residues pruned to eliminate duplicates Z: 48 50.843 2.329 1.085 0.477 0.915 0.511 CB 1.708 48 residues pruned to eliminate duplicates Z: 60 40.942 2.251 0.895 0.400 0.864 0.458 CB 1.605 60 residues pruned to eliminate duplicates Z: 65 48.528 2.352 0.935 0.422 0.859 0.453 CB 1.682 65 residues pruned to eliminate duplicates Z: 62 51.258 2.318 0.983 0.457 0.902 0.459 CB 1.654 62 residues pruned to eliminate duplicates Z: 11 14.887 2.001 0.917 0.313 1.000 0.500 CA 1.510 11 residues pruned to eliminate duplicates Z: 28 22.283 1.923 0.765 0.490 0.926 0.556 CB 1.379 28 residues pruned to eliminate duplicates Z: 57 56.333 2.331 1.091 0.535 0.911 0.536 CB 1.639 57 residues pruned to eliminate duplicates Z: 66 51.259 2.251 0.893 0.496 0.938 0.508 CB 1.596 66 residues pruned to eliminate duplicates Z: 63 49.472 2.299 0.966 0.512 0.839 0.500 CB 1.638 63 residues pruned to eliminate duplicates Z: 62 50.125 2.284 0.972 0.475 0.918 0.508 CB 1.592 62 residues pruned to eliminate duplicates Z: 68 58.611 2.344 1.067 0.489 0.881 0.597 CB 1.698 68 residues pruned to eliminate duplicates Z: 25 24.091 2.015 0.611 0.541 0.958 0.542 CB 1.519 25 residues pruned to eliminate duplicates Z: 63 56.922 2.316 1.063 0.508 0.919 0.435 CB 1.632 63 residues pruned to eliminate duplicates Z: 83 61.014 2.305 1.032 0.475 0.890 0.537 CB 1.657 83 residues pruned to eliminate duplicates Z: 64 59.435 2.285 1.102 0.524 0.921 0.524 CB 1.653 64 residues pruned to eliminate duplicates Z: 15 23.929 2.016 0.884 0.571 1.000 0.571 CB 1.572 15 residues pruned to eliminate duplicates Z: 90 61.706 2.249 0.955 0.513 0.910 0.596 CB 1.613 63 residues pruned to eliminate duplicates Z: 10 13.334 1.775 0.552 0.814 0.889 0.667 CB 1.382 10 residues pruned to eliminate duplicates Z: 66 52.489 2.169 1.037 0.523 0.908 0.585 CB 1.587 66 residues pruned to eliminate duplicates Z: 91 66.820 2.271 1.089 0.494 0.900 0.556 CB 1.660 91 residues pruned to eliminate duplicates Z: 6 3.950 2.015 0.828 0.454 0.600 0.400 CA 0.837 6 residues pruned to eliminate duplicates Z: 24 30.900 2.301 0.884 0.525 0.913 0.478 CB 1.588 24 residues pruned to eliminate duplicates Z: 27 28.151 2.182 0.804 0.497 0.885 0.577 CB 1.591 27 residues pruned to eliminate duplicates Z: 25 29.125 2.286 0.906 0.491 0.917 0.583 CB 1.502 25 residues pruned to eliminate duplicates Z: 27 22.839 2.238 0.863 0.444 0.769 0.462 CB 1.479 27 residues pruned to eliminate duplicates Z: 23 27.490 2.287 0.962 0.462 0.909 0.545 CB 1.494 23 residues pruned to eliminate duplicates Z: 26 27.091 2.277 0.924 0.452 0.920 0.600 CB 1.413 26 residues pruned to eliminate duplicates Z: 24 29.346 2.264 0.993 0.547 0.826 0.565 CB 1.568 24 residues pruned to eliminate duplicates Z: 28 28.751 2.163 0.883 0.514 0.852 0.481 CB 1.573 28 residues pruned to eliminate duplicates Z: 46 35.317 2.143 0.962 0.437 0.889 0.556 CB 1.503 46 residues pruned to eliminate duplicates Z: 26 28.277 2.256 0.948 0.457 0.840 0.520 CB 1.601 26 residues pruned to eliminate duplicates Z: 25 26.123 2.271 0.866 0.464 0.875 0.500 CB 1.492 25 residues pruned to eliminate duplicates Z: 25 27.145 2.278 1.045 0.450 0.917 0.500 CB 1.366 25 residues pruned to eliminate duplicates Z: 29 26.814 2.224 0.893 0.452 0.893 0.571 CB 1.416 29 residues pruned to eliminate duplicates Z: 41 28.468 2.114 0.877 0.445 0.850 0.325 CB 1.412 41 residues pruned to eliminate duplicates Z: 46 23.686 2.071 0.895 0.389 0.756 0.467 CB 1.339 46 residues pruned to eliminate duplicates Z: 46 26.723 2.159 0.905 0.391 0.778 0.444 CB 1.397 46 residues pruned to eliminate duplicates Z: 30 24.212 2.103 0.925 0.410 0.862 0.414 CB 1.415 30 residues pruned to eliminate duplicates Z: 26 20.296 2.214 0.960 0.438 0.800 0.600 CB 1.247 26 residues pruned to eliminate duplicates Z: 22 27.470 2.271 1.064 0.440 0.905 0.524 CB 1.504 22 residues pruned to eliminate duplicates Z: 25 21.243 2.219 0.772 0.352 0.875 0.458 CB 1.479 25 residues pruned to eliminate duplicates Z: 35 25.253 2.219 0.969 0.303 0.853 0.382 CB 1.448 35 residues pruned to eliminate duplicates Z: 7 5.670 1.767 0.533 0.182 1.000 0.167 CA 1.254 7 residues pruned to eliminate duplicates Z: 24 25.219 2.257 1.006 0.399 0.913 0.565 CB 1.416 24 residues pruned to eliminate duplicates Z: 27 24.416 2.193 0.920 0.423 0.808 0.538 CB 1.525 27 residues pruned to eliminate duplicates Z: 34 22.700 2.174 0.737 0.450 0.788 0.545 CB 1.398 34 residues pruned to eliminate duplicates Z: 27 23.694 2.276 1.009 0.423 0.769 0.577 CB 1.430 27 residues pruned to eliminate duplicates Z: 85 61.083 2.363 0.841 0.511 0.881 0.619 CB 1.720 85 residues pruned to eliminate duplicates Z: 56 52.022 2.409 0.810 0.511 0.909 0.564 CB 1.752 56 residues pruned to eliminate duplicates Z: 54 55.672 2.482 0.864 0.566 0.849 0.528 CB 1.826 54 residues pruned to eliminate duplicates Z: 65 58.481 2.352 0.971 0.539 0.891 0.547 CB 1.705 65 residues pruned to eliminate duplicates Z: 65 53.528 2.395 0.913 0.540 0.859 0.531 CB 1.634 65 residues pruned to eliminate duplicates Z: 57 49.541 2.427 0.909 0.549 0.786 0.464 CB 1.733 57 residues pruned to eliminate duplicates Z: 65 57.806 2.407 1.017 0.516 0.891 0.578 CB 1.646 65 residues pruned to eliminate duplicates Z: 40 48.663 2.483 1.096 0.499 0.872 0.513 CB 1.719 40 residues pruned to eliminate duplicates Z: 40 53.994 2.502 1.146 0.532 0.923 0.513 CB 1.690 40 residues pruned to eliminate duplicates Z: 37 61.063 2.520 1.110 0.579 0.972 0.611 CB 1.824 37 residues pruned to eliminate duplicates Z: 40 57.064 2.546 1.063 0.526 0.923 0.590 CB 1.836 40 residues pruned to eliminate duplicates Z: 54 54.146 2.426 0.958 0.538 0.849 0.528 CB 1.777 54 residues pruned to eliminate duplicates Z: 38 54.603 2.488 0.900 0.562 0.973 0.514 CB 1.838 38 residues pruned to eliminate duplicates Z: 57 57.478 2.425 0.938 0.517 0.929 0.411 CB 1.729 57 residues pruned to eliminate duplicates Z: 58 61.282 2.435 1.039 0.556 0.895 0.474 CB 1.731 58 residues pruned to eliminate duplicates Z: 82 53.746 2.364 0.895 0.463 0.864 0.469 CB 1.601 82 residues pruned to eliminate duplicates Z: 63 60.126 2.429 1.093 0.527 0.823 0.452 CB 1.778 63 residues pruned to eliminate duplicates Z: 42 54.595 2.524 1.021 0.590 0.854 0.488 CB 1.796 42 residues pruned to eliminate duplicates Z: 61 62.896 2.445 1.019 0.499 0.900 0.550 CB 1.830 61 residues pruned to eliminate duplicates Z: 44 50.042 2.354 1.093 0.466 0.884 0.465 CA 1.815 44 residues pruned to eliminate duplicates Z: 79 52.417 2.336 0.936 0.462 0.872 0.538 CB 1.565 79 residues pruned to eliminate duplicates Z: 78 56.445 2.342 1.063 0.467 0.922 0.597 CB 1.493 78 residues pruned to eliminate duplicates Z: 48 60.021 2.503 1.107 0.562 0.872 0.447 CB 1.792 48 residues pruned to eliminate duplicates Z: 43 45.304 2.464 1.104 0.561 0.786 0.476 CB 1.617 43 residues pruned to eliminate duplicates Z: 43 32.933 2.261 0.810 0.434 0.833 0.548 CB 1.595 43 residues pruned to eliminate duplicates Z: 88 58.541 2.302 0.956 0.498 0.885 0.494 CB 1.579 88 residues pruned to eliminate duplicates Z: 80 48.758 2.317 0.849 0.445 0.848 0.418 CB 1.597 80 residues pruned to eliminate duplicates Z: 57 52.009 2.441 0.912 0.511 0.839 0.429 CB 1.754 57 residues pruned to eliminate duplicates Z: 96 66.636 2.341 1.013 0.490 0.884 0.558 CB 1.657 96 residues pruned to eliminate duplicates Z: 39 48.814 2.424 1.175 0.516 0.895 0.474 CB 1.653 39 residues pruned to eliminate duplicates Z: 49 58.480 2.468 1.038 0.502 0.875 0.438 CB 1.914 49 residues pruned to eliminate duplicates Z: 49 43.797 2.413 0.948 0.450 0.854 0.333 CB 1.658 49 residues pruned to eliminate duplicates Z: 63 57.903 2.410 1.056 0.506 0.871 0.516 CB 1.694 63 residues pruned to eliminate duplicates Z: 68 54.891 2.324 1.014 0.490 0.881 0.448 CB 1.643 68 residues pruned to eliminate duplicates Z: 57 48.963 2.320 0.964 0.457 0.875 0.446 CB 1.715 57 residues pruned to eliminate duplicates Z: 58 54.964 2.426 0.978 0.523 0.895 0.474 CB 1.657 58 residues pruned to eliminate duplicates Z: 52 59.436 2.474 1.104 0.510 0.941 0.431 CB 1.683 52 residues pruned to eliminate duplicates Z: 48 63.175 2.452 1.164 0.535 0.936 0.532 CB 1.792 48 residues pruned to eliminate duplicates Z: 65 55.186 2.380 0.956 0.501 0.891 0.438 CB 1.662 65 residues pruned to eliminate duplicates Z: 67 57.117 2.328 0.933 0.517 0.894 0.545 CB 1.718 67 residues pruned to eliminate duplicates Z: 87 67.195 2.277 0.996 0.542 0.907 0.500 CB 1.687 87 residues pruned to eliminate duplicates Z: 42 42.263 2.291 0.999 0.490 0.902 0.561 CB 1.613 42 residues pruned to eliminate duplicates Z: 82 70.397 2.386 1.065 0.534 0.914 0.568 CB 1.681 82 residues pruned to eliminate duplicates Z: 65 58.721 2.331 0.982 0.553 0.906 0.531 CB 1.665 65 residues pruned to eliminate duplicates Z: 56 47.523 2.372 0.900 0.509 0.855 0.418 CB 1.649 56 residues pruned to eliminate duplicates Z: 62 50.697 2.375 0.924 0.471 0.885 0.361 CB 1.652 62 residues pruned to eliminate duplicates Z: 54 52.382 2.385 0.892 0.520 0.887 0.547 CB 1.763 54 residues pruned to eliminate duplicates Z: 23 30.328 2.332 0.792 0.579 0.818 0.455 CA 1.754 23 residues pruned to eliminate duplicates Z: 62 52.689 2.424 0.937 0.446 0.885 0.541 CB 1.715 62 residues pruned to eliminate duplicates Z: 54 52.488 2.457 1.061 0.497 0.868 0.509 CB 1.644 54 residues pruned to eliminate duplicates Z: 46 49.603 2.180 1.025 0.563 0.956 0.600 CB 1.649 46 residues pruned to eliminate duplicates Z: 58 63.508 2.424 1.019 0.562 0.930 0.509 CB 1.740 58 residues pruned to eliminate duplicates Z: 81 66.527 2.333 0.930 0.546 0.900 0.562 CA 1.755 81 residues pruned to eliminate duplicates Z: 68 52.050 2.287 0.974 0.500 0.851 0.567 CB 1.656 68 residues pruned to eliminate duplicates Z: 63 64.331 2.412 1.190 0.528 0.903 0.565 CB 1.666 63 residues pruned to eliminate duplicates Z: 71 54.598 2.288 0.920 0.497 0.914 0.557 CB 1.630 71 residues pruned to eliminate duplicates Z: 20 27.483 2.312 0.955 0.338 0.947 0.368 CB 1.757 20 residues pruned to eliminate duplicates Z: 89 57.036 2.245 0.956 0.483 0.864 0.466 CB 1.632 89 residues pruned to eliminate duplicates Z: 64 50.202 2.268 0.988 0.499 0.857 0.460 CB 1.637 64 residues pruned to eliminate duplicates Z: 16 22.678 2.141 0.753 0.534 0.867 0.333 CB 1.740 16 residues pruned to eliminate duplicates Z: 28 37.632 2.163 0.992 0.632 0.963 0.667 CB 1.542 28 residues pruned to eliminate duplicates Z: 28 32.908 2.132 0.937 0.649 0.926 0.704 CB 1.442 28 residues pruned to eliminate duplicates Z: 42 27.523 2.214 0.577 0.498 0.854 0.561 CB 1.445 42 residues pruned to eliminate duplicates Z: 31 30.527 2.145 0.724 0.607 0.933 0.667 CB 1.458 31 residues pruned to eliminate duplicates Z: 44 40.634 2.300 0.831 0.523 0.907 0.581 CB 1.586 44 residues pruned to eliminate duplicates Z: 49 36.374 2.125 0.789 0.498 0.917 0.708 CB 1.510 49 residues pruned to eliminate duplicates Z: 21 16.626 1.951 0.684 0.401 0.900 0.600 CA 1.395 22 residues pruned to eliminate duplicates Z: 12 29.183 2.071 0.935 0.876 1.000 0.727 CA 1.596 12 residues pruned to eliminate duplicates Z: 24 29.574 2.175 0.802 0.631 0.870 0.652 CB 1.599 24 residues pruned to eliminate duplicates Z: 14 26.423 2.343 0.515 0.893 1.000 0.769 CA 1.482 14 residues pruned to eliminate duplicates Z: 24 29.209 2.143 0.755 0.645 0.913 0.652 CB 1.549 24 residues pruned to eliminate duplicates Z: 25 26.144 2.125 0.586 0.635 0.917 0.833 CB 1.522 25 residues pruned to eliminate duplicates Z: 23 33.758 2.278 0.933 0.644 0.909 0.682 CB 1.572 23 residues pruned to eliminate duplicates Z: 23 24.233 2.246 0.684 0.572 0.864 0.591 CB 1.476 23 residues pruned to eliminate duplicates Z: 25 25.220 2.127 0.732 0.635 0.875 0.708 CB 1.407 25 residues pruned to eliminate duplicates Z: 28 28.092 2.084 0.817 0.532 0.889 0.630 CA 1.556 28 residues pruned to eliminate duplicates Z: 23 31.201 2.226 0.789 0.648 0.909 0.682 CB 1.601 23 residues pruned to eliminate duplicates Z: 26 29.830 2.083 0.742 0.632 0.920 0.680 CA 1.579 26 residues pruned to eliminate duplicates Z: 24 32.114 2.224 0.738 0.653 0.913 0.652 CB 1.645 24 residues pruned to eliminate duplicates Z: 70 40.905 2.072 0.696 0.556 0.928 0.536 CB 1.430 52 residues pruned to eliminate duplicates Z: 15 30.902 2.320 0.762 0.864 1.000 0.929 CA 1.481 15 residues pruned to eliminate duplicates Z: 30 24.682 2.091 0.583 0.566 0.862 0.621 CB 1.506 30 residues pruned to eliminate duplicates Z: 51 31.864 2.150 0.705 0.481 0.840 0.500 CB 1.493 38 residues pruned to eliminate duplicates Z: 6 6.290 1.584 0.919 0.385 0.800 0.400 CA 1.307 Z: 6 2.580 1.358 0.901 0.320 0.600 0.400 CA 0.908 6 residues pruned to eliminate duplicates Z: 110 65.132 2.233 0.951 0.516 0.881 0.514 CB 1.600 116 residues pruned to eliminate duplicates Z: 29 27.113 2.145 0.810 0.549 0.786 0.607 CB 1.601 29 residues pruned to eliminate duplicates Z: 30 25.207 2.112 0.557 0.588 0.897 0.724 CB 1.459 30 residues pruned to eliminate duplicates Z: 41 36.544 2.188 0.741 0.585 0.900 0.575 CB 1.553 41 residues pruned to eliminate duplicates Z: 60 38.656 2.172 0.763 0.524 0.898 0.593 CB 1.429 60 residues pruned to eliminate duplicates Z: 7 4.969 1.886 0.812 0.324 0.500 0.333 O 1.440 Z: 6 10.080 1.795 1.275 0.267 1.000 0.600 CA 1.440 Z: 8 3.989 1.371 0.895 0.241 0.714 0.429 O 1.096 8 residues pruned to eliminate duplicates Z: 27 22.832 2.119 0.659 0.506 0.808 0.385 CB 1.567 40 residues pruned to eliminate duplicates Z: 17 17.174 2.138 0.730 0.414 0.812 0.438 CB 1.563 17 residues pruned to eliminate duplicates Z: 51 30.054 2.157 0.692 0.465 0.780 0.500 CB 1.548 51 residues pruned to eliminate duplicates Z: 40 41.588 2.234 0.822 0.610 0.897 0.564 CB 1.643 40 residues pruned to eliminate duplicates Z: 33 23.344 2.141 0.542 0.393 0.938 0.312 CB 1.493 33 residues pruned to eliminate duplicates Z: 27 23.778 2.166 0.596 0.427 0.885 0.423 CB 1.646 29 residues pruned to eliminate duplicates Z: 7 5.436 1.819 0.272 0.402 0.833 0.500 CB 1.276 7 residues pruned to eliminate duplicates Z: 31 19.037 2.224 0.499 0.320 0.900 0.533 CB 1.412 31 residues pruned to eliminate duplicates Z: 24 20.386 2.090 0.655 0.411 0.870 0.565 CA 1.551 24 residues pruned to eliminate duplicates Z: 13 13.779 2.219 0.587 0.389 0.750 0.583 CB 1.694 13 residues pruned to eliminate duplicates Z: 38 26.975 2.170 0.712 0.460 0.838 0.459 CB 1.483 48 residues pruned to eliminate duplicates Z: 21 15.296 2.124 0.695 0.401 0.800 0.550 CB 1.318 21 residues pruned to eliminate duplicates Z: 13 15.669 2.167 0.861 0.380 0.833 0.417 CB 1.530 13 residues pruned to eliminate duplicates Z: 13 18.826 2.284 0.767 0.453 0.917 0.583 CB 1.542 13 residues pruned to eliminate duplicates Z: 20 18.868 2.093 0.849 0.325 0.895 0.526 CB 1.515 20 residues pruned to eliminate duplicates Z: 21 19.616 2.156 0.807 0.403 0.850 0.400 CB 1.468 21 residues pruned to eliminate duplicates Z: 29 34.199 2.367 0.754 0.555 0.929 0.643 CB 1.589 29 residues pruned to eliminate duplicates Z: 54 37.628 2.246 0.804 0.454 0.887 0.585 CB 1.508 59 residues pruned to eliminate duplicates Z: 13 41.590 2.319 1.464 0.890 0.917 0.583 CA 1.649 13 residues pruned to eliminate duplicates Z: 29 39.983 2.399 0.867 0.566 0.964 0.607 CB 1.642 29 residues pruned to eliminate duplicates Z: 31 30.885 2.313 0.897 0.541 0.900 0.633 CB 1.372 31 residues pruned to eliminate duplicates Z: 30 33.118 2.338 0.946 0.521 0.931 0.483 CB 1.421 30 residues pruned to eliminate duplicates Z: 27 33.217 2.312 0.885 0.512 0.923 0.692 CB 1.600 27 residues pruned to eliminate duplicates Z: 29 35.086 2.350 0.895 0.569 0.929 0.607 CB 1.500 29 residues pruned to eliminate duplicates Z: 45 38.682 2.288 0.887 0.518 0.864 0.477 CB 1.537 45 residues pruned to eliminate duplicates Z: 48 39.288 2.245 0.829 0.505 0.915 0.511 CB 1.517 48 residues pruned to eliminate duplicates Z: 31 35.623 2.317 0.971 0.574 0.967 0.400 CB 1.372 31 residues pruned to eliminate duplicates Z: 44 44.916 2.283 0.998 0.556 0.930 0.558 CB 1.528 44 residues pruned to eliminate duplicates Z: 9 8.966 1.634 0.985 0.376 1.000 0.625 CA 1.116 9 residues pruned to eliminate duplicates Z: 30 38.339 2.327 0.881 0.581 0.931 0.310 CB 1.616 30 residues pruned to eliminate duplicates Z: 30 33.919 2.267 0.901 0.530 0.897 0.241 CB 1.581 30 residues pruned to eliminate duplicates Z: 30 36.351 2.364 1.024 0.528 0.897 0.448 CB 1.530 30 residues pruned to eliminate duplicates Z: 30 22.020 2.197 0.677 0.396 0.793 0.483 CB 1.562 30 residues pruned to eliminate duplicates Z: 8 3.934 1.742 0.387 0.319 0.857 0.286 CB 0.877 8 residues pruned to eliminate duplicates Z: 18 15.426 2.197 0.611 0.340 0.824 0.353 CB 1.528 18 residues pruned to eliminate duplicates Z: 6 2.705 1.919 0.025 0.185 0.800 0.600 CA 1.122 6 residues pruned to eliminate duplicates Z: 27 27.471 2.297 0.598 0.488 0.808 0.538 CA 1.838 27 residues pruned to eliminate duplicates Z: 17 14.960 2.262 0.399 0.348 0.875 0.312 CB 1.592 17 residues pruned to eliminate duplicates Z: 12 9.552 2.261 0.070 0.325 0.909 0.636 CB 1.588 12 residues pruned to eliminate duplicates 747 residues left after pruning, divided into chains as follows: A: 10 B: 167 C: 157 D: 18 E: 45 F: 12 G: 131 H: 24 I: 125 J: 6 K: 9 L: 43 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 36.88 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.757, Connect. = 0.733 for dens.mod. cycle 1 = 0.300, Contrast = 0.883, Connect. = 0.765 for dens.mod. cycle 2 = 0.300, Contrast = 1.056, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 1.086, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 1.111, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 1.119, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 1.125, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 1.127, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 1.127, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 1.125, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5309 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1043 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 39.601 2.257 1.112 0.880 0.882 0.471 CA 1.655 B: 16 48.680 2.569 0.932 0.843 1.000 0.733 CA 1.886 18 residues pruned to eliminate duplicates C: 12 39.739 2.438 1.107 0.916 1.000 0.909 CB 1.647 D: 8 15.263 2.044 0.704 0.653 0.857 0.429 CB 1.676 7 residues pruned to eliminate duplicates E: 17 48.839 2.470 0.942 0.870 1.000 0.625 CA 1.859 17 residues pruned to eliminate duplicates F: 19 44.383 2.316 0.950 0.839 1.000 0.722 CA 1.729 19 residues pruned to eliminate duplicates G: 16 47.181 2.532 0.853 0.846 1.000 0.600 CA 1.930 16 residues pruned to eliminate duplicates H: 13 43.855 2.400 1.096 0.878 0.917 0.750 CA 1.992 12 residues pruned to eliminate duplicates I: 17 43.092 2.350 0.978 0.902 1.000 0.812 CA 1.652 J: 12 43.372 2.427 1.287 0.914 1.000 0.818 CB 1.667 11 residues pruned to eliminate duplicates K: 23 20.606 2.040 0.899 0.342 0.818 0.318 CA 1.646 L: 14 40.008 2.168 1.341 0.908 1.000 0.692 CB 1.552 M: 16 47.754 2.454 1.346 0.894 0.933 0.667 CB 1.646 17 residues pruned to eliminate duplicates N: 12 35.907 2.441 0.943 0.905 0.909 0.818 CB 1.787 12 residues pruned to eliminate duplicates O: 10 26.940 2.333 1.232 0.611 0.889 0.667 CA 1.746 11 residues pruned to eliminate duplicates P: 17 40.536 2.368 0.989 0.862 0.938 0.812 CA 1.685 17 residues pruned to eliminate duplicates Q: 12 38.303 2.436 1.208 0.895 0.909 0.545 CB 1.693 12 residues pruned to eliminate duplicates R: 18 41.729 2.299 1.063 0.852 0.882 0.647 CA 1.789 18 residues pruned to eliminate duplicates S: 13 38.116 2.442 0.883 0.858 1.000 0.750 CB 1.762 14 residues pruned to eliminate duplicates T: 16 39.592 2.343 0.857 0.843 1.000 0.867 CA 1.749 U: 17 44.815 2.360 1.194 0.870 0.938 0.750 CA 1.684 17 residues pruned to eliminate duplicates V: 10 27.182 2.441 1.031 0.646 0.889 0.444 CA 1.794 W: 13 37.977 2.250 1.194 0.897 0.917 0.750 CA 1.734 X: 16 44.109 2.469 0.948 0.902 1.000 0.867 CA 1.689 16 residues pruned to eliminate duplicates Y: 8 14.701 2.228 1.415 0.797 0.571 0.429 CA 1.394 8 residues pruned to eliminate duplicates Z: 15 28.254 2.196 1.016 0.882 0.857 0.714 CA 1.440 Z: 18 33.564 2.282 0.671 0.875 0.941 0.765 CA 1.650 18 residues pruned to eliminate duplicates Z: 12 36.797 2.423 1.228 0.911 0.818 0.636 CB 1.781 12 residues pruned to eliminate duplicates Z: 17 27.461 2.223 0.536 0.891 0.812 0.750 CB 1.780 Z: 26 26.826 2.186 0.898 0.500 0.920 0.600 CB 1.406 Z: 17 46.600 2.518 1.133 0.815 0.875 0.375 CA 1.885 17 residues pruned to eliminate duplicates Z: 13 50.819 2.629 0.949 0.898 1.000 0.833 CA 2.049 14 residues pruned to eliminate duplicates Z: 12 42.574 2.424 1.180 0.932 1.000 0.727 CA 1.696 13 residues pruned to eliminate duplicates Z: 15 30.413 2.279 0.861 0.816 0.929 0.571 CA 1.568 15 residues pruned to eliminate duplicates Z: 15 31.201 2.156 0.911 0.896 1.000 0.714 CA 1.450 15 residues pruned to eliminate duplicates Z: 13 37.806 2.333 0.806 0.935 0.917 0.917 CB 1.969 13 residues pruned to eliminate duplicates Z: 7 8.602 1.917 0.635 0.690 0.833 0.500 CA 1.129 Z: 15 16.723 2.314 0.769 0.365 0.786 0.286 CB 1.606 Z: 9 13.130 2.167 0.690 0.611 0.750 0.125 N 1.522 Z: 44 46.232 2.402 0.997 0.516 0.860 0.535 CB 1.681 13 residues pruned to eliminate duplicates Z: 16 43.203 2.368 0.878 0.872 1.000 0.867 CB 1.828 17 residues pruned to eliminate duplicates Z: 16 44.087 2.343 0.931 0.892 1.000 0.800 CA 1.807 16 residues pruned to eliminate duplicates Z: 20 25.604 2.230 0.807 0.466 0.842 0.632 CA 1.793 20 residues pruned to eliminate duplicates Z: 16 42.788 2.617 1.049 0.847 0.800 0.667 CA 1.913 16 residues pruned to eliminate duplicates Z: 23 28.815 2.189 1.170 0.479 0.909 0.682 CB 1.454 26 residues pruned to eliminate duplicates Z: 39 27.806 2.193 0.902 0.394 0.789 0.605 CB 1.532 Z: 15 44.172 2.414 0.933 0.882 1.000 0.786 CA 1.831 15 residues pruned to eliminate duplicates Z: 16 37.519 2.404 1.093 0.823 0.867 0.533 CB 1.679 16 residues pruned to eliminate duplicates Z: 15 32.989 2.239 0.916 0.897 0.929 0.786 CB 1.583 Z: 14 27.970 2.376 0.959 0.607 0.846 0.462 CA 1.780 10 residues pruned to eliminate duplicates Z: 14 32.286 2.243 0.914 0.902 1.000 0.846 CA 1.488 14 residues pruned to eliminate duplicates Z: 15 36.765 2.280 1.102 0.909 0.857 0.786 CA 1.698 15 residues pruned to eliminate duplicates Z: 18 22.747 2.332 0.709 0.386 0.882 0.529 CB 1.770 18 residues pruned to eliminate duplicates Z: 32 30.058 2.285 0.924 0.523 0.774 0.484 CB 1.551 17 residues pruned to eliminate duplicates Z: 13 28.549 2.385 0.879 0.854 0.917 0.750 CA 1.482 13 residues pruned to eliminate duplicates Z: 12 25.098 2.038 0.759 0.870 1.000 0.727 CA 1.542 Z: 11 51.733 2.578 1.458 0.920 1.000 0.700 CB 1.818 11 residues pruned to eliminate duplicates Z: 16 27.826 2.182 0.629 0.870 1.000 0.600 CB 1.476 Z: 11 38.612 2.483 1.017 0.932 1.000 0.800 CA 1.703 12 residues pruned to eliminate duplicates Z: 11 20.179 2.126 0.761 0.871 1.000 0.800 CA 1.243 11 residues pruned to eliminate duplicates Z: 76 47.386 2.282 0.782 0.456 0.853 0.360 CB 1.650 16 residues pruned to eliminate duplicates Z: 15 19.631 2.294 0.844 0.421 0.857 0.714 CB 1.571 15 residues pruned to eliminate duplicates Z: 13 26.386 2.095 0.874 0.884 0.917 0.833 CB 1.529 Z: 15 48.328 2.528 1.095 0.858 1.000 0.929 CB 1.797 15 residues pruned to eliminate duplicates Z: 13 27.792 2.191 0.964 0.830 0.917 0.917 CB 1.530 Z: 10 27.832 2.228 1.038 0.921 1.000 0.889 CA 1.438 10 residues pruned to eliminate duplicates Z: 15 43.710 2.481 1.103 0.899 0.929 0.786 CB 1.723 15 residues pruned to eliminate duplicates Z: 12 47.088 2.449 1.543 0.889 0.909 0.455 CA 1.805 12 residues pruned to eliminate duplicates Z: 11 25.412 2.142 0.708 0.861 1.000 0.800 CB 1.614 11 residues pruned to eliminate duplicates Z: 9 10.898 2.043 0.516 0.492 1.000 0.625 CB 1.254 Z: 16 11.662 2.133 0.478 0.347 0.867 0.600 CB 1.301 Z: 21 24.168 2.200 0.999 0.461 0.900 0.600 CB 1.420 21 residues pruned to eliminate duplicates Z: 18 12.626 2.114 0.571 0.363 0.765 0.412 CB 1.396 18 residues pruned to eliminate duplicates Z: 17 47.855 2.488 0.874 0.889 1.000 0.750 CA 1.848 17 residues pruned to eliminate duplicates Z: 13 29.889 2.085 0.953 0.883 1.000 0.833 CB 1.532 13 residues pruned to eliminate duplicates Z: 14 27.204 2.189 1.082 0.810 0.846 0.692 CB 1.493 14 residues pruned to eliminate duplicates Z: 12 39.614 2.215 1.441 0.828 0.909 0.727 CB 1.830 12 residues pruned to eliminate duplicates Z: 41 33.858 2.195 0.927 0.457 0.850 0.500 CB 1.556 40 residues pruned to eliminate duplicates Z: 13 35.274 2.319 1.097 0.886 0.833 0.833 CA 1.813 12 residues pruned to eliminate duplicates Z: 12 41.887 2.376 1.540 0.888 0.909 0.727 CB 1.659 12 residues pruned to eliminate duplicates Z: 9 20.912 2.098 1.316 0.869 0.750 0.625 CA 1.482 9 residues pruned to eliminate duplicates Z: 7 10.106 2.411 1.179 0.675 0.500 0.167 CB 1.336 7 residues pruned to eliminate duplicates Z: 17 27.964 2.284 0.894 0.772 0.875 0.500 CB 1.452 17 residues pruned to eliminate duplicates Z: 16 42.468 2.452 1.038 0.876 0.933 0.800 CB 1.709 16 residues pruned to eliminate duplicates Z: 9 16.060 2.319 0.733 0.703 0.875 0.500 CB 1.342 9 residues pruned to eliminate duplicates Z: 13 47.954 2.316 1.581 0.918 0.917 0.750 CB 1.783 13 residues pruned to eliminate duplicates Z: 14 26.398 2.058 0.997 0.877 0.923 0.769 CB 1.402 14 residues pruned to eliminate duplicates Z: 10 7.634 2.118 0.871 0.212 0.667 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 19 15.427 2.081 1.025 0.318 0.778 0.389 CB 1.356 Z: 35 23.947 2.102 0.507 0.454 0.882 0.500 CB 1.541 19 residues pruned to eliminate duplicates Z: 14 25.909 2.057 1.034 0.837 0.923 0.769 CB 1.392 14 residues pruned to eliminate duplicates Z: 29 31.191 2.062 1.000 0.471 0.964 0.429 CB 1.526 29 residues pruned to eliminate duplicates Z: 8 27.137 2.393 1.142 0.692 0.857 0.286 CA 1.958 9 residues pruned to eliminate duplicates Z: 14 24.303 2.083 1.108 0.847 0.846 0.846 CB 1.347 14 residues pruned to eliminate duplicates Z: 25 46.179 2.363 1.173 0.673 0.917 0.750 CB 1.707 17 residues pruned to eliminate duplicates Z: 15 45.159 2.491 0.907 0.881 1.000 0.786 CA 1.839 Z: 14 30.601 2.284 0.748 0.915 1.000 0.846 CA 1.502 14 residues pruned to eliminate duplicates Z: 13 37.127 2.326 0.879 0.930 0.917 0.917 CA 1.871 13 residues pruned to eliminate duplicates Z: 11 55.870 2.552 1.523 0.906 1.000 0.800 CB 1.952 11 residues pruned to eliminate duplicates Z: 16 42.771 2.411 0.903 0.877 1.000 0.867 CA 1.748 15 residues pruned to eliminate duplicates Z: 16 24.884 1.942 0.628 0.866 0.933 0.867 CA 1.594 16 residues pruned to eliminate duplicates Z: 14 28.705 2.093 0.645 0.923 1.000 0.923 CA 1.625 14 residues pruned to eliminate duplicates Z: 14 26.874 2.238 0.852 0.841 0.923 0.846 CA 1.453 14 residues pruned to eliminate duplicates Z: 13 34.156 2.253 0.845 0.894 1.000 1.000 CA 1.703 13 residues pruned to eliminate duplicates Z: 37 29.879 2.181 0.849 0.432 0.889 0.444 CB 1.490 39 residues pruned to eliminate duplicates Z: 14 32.305 2.243 0.979 0.932 1.000 0.692 CA 1.410 14 residues pruned to eliminate duplicates Z: 33 23.940 2.053 0.852 0.427 0.781 0.500 CB 1.538 Z: 17 39.941 2.306 0.947 0.835 1.000 0.750 CA 1.665 17 residues pruned to eliminate duplicates Z: 9 12.182 1.887 0.698 0.804 0.750 0.500 CA 1.374 9 residues pruned to eliminate duplicates Z: 21 7.884 1.729 0.747 0.365 0.800 0.400 CB 0.843 Z: 9 19.400 1.902 1.023 0.768 0.875 0.750 CB 1.606 8 residues pruned to eliminate duplicates Z: 16 35.905 2.260 1.001 0.819 0.867 0.600 CB 1.793 16 residues pruned to eliminate duplicates Z: 16 45.400 2.417 1.130 0.868 0.933 0.733 CA 1.783 16 residues pruned to eliminate duplicates Z: 16 31.843 2.123 1.183 0.895 0.933 0.733 CA 1.363 16 residues pruned to eliminate duplicates Z: 17 41.952 2.323 0.987 0.865 0.938 0.812 CA 1.775 16 residues pruned to eliminate duplicates Z: 29 37.608 2.395 1.018 0.571 0.857 0.536 CB 1.602 28 residues pruned to eliminate duplicates Z: 19 24.475 2.275 1.116 0.468 0.889 0.500 CB 1.392 19 residues pruned to eliminate duplicates Z: 15 36.304 2.300 0.987 0.879 1.000 0.643 CB 1.539 15 residues pruned to eliminate duplicates Z: 15 30.460 2.078 1.047 0.923 0.929 0.786 CA 1.449 15 residues pruned to eliminate duplicates Z: 28 32.274 2.294 0.636 0.538 0.926 0.667 CB 1.722 28 residues pruned to eliminate duplicates Z: 12 23.318 2.042 0.631 0.879 1.000 0.909 CB 1.531 12 residues pruned to eliminate duplicates Z: 40 29.757 2.235 0.858 0.409 0.821 0.590 CB 1.539 26 residues pruned to eliminate duplicates Z: 15 28.577 2.364 0.795 0.652 0.929 0.571 CB 1.683 14 residues pruned to eliminate duplicates Z: 15 24.098 2.207 1.059 0.487 0.786 0.643 CA 1.828 15 residues pruned to eliminate duplicates Z: 38 34.868 2.328 0.885 0.435 0.838 0.351 CB 1.668 19 residues pruned to eliminate duplicates Z: 14 29.379 2.074 1.177 0.835 0.923 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 12 28.393 2.119 0.977 0.862 1.000 0.909 CB 1.501 12 residues pruned to eliminate duplicates Z: 17 34.093 2.304 0.875 0.820 0.875 0.750 CB 1.709 17 residues pruned to eliminate duplicates Z: 25 24.148 2.212 1.058 0.407 0.792 0.542 CB 1.507 25 residues pruned to eliminate duplicates Z: 64 60.371 2.333 1.056 0.507 0.952 0.476 CB 1.653 35 residues pruned to eliminate duplicates Z: 39 30.304 2.210 0.827 0.489 0.868 0.579 CB 1.418 33 residues pruned to eliminate duplicates Z: 18 13.514 2.211 0.378 0.416 0.824 0.529 CB 1.426 9 residues pruned to eliminate duplicates Z: 18 39.065 2.343 0.928 0.830 0.941 0.471 CA 1.676 18 residues pruned to eliminate duplicates Z: 15 39.852 2.348 0.835 0.889 1.000 0.929 CA 1.780 15 residues pruned to eliminate duplicates Z: 14 35.186 2.285 1.177 0.830 0.923 0.769 CB 1.598 14 residues pruned to eliminate duplicates Z: 14 14.853 2.169 0.517 0.440 0.923 0.615 CB 1.443 15 residues pruned to eliminate duplicates Z: 23 21.168 2.233 0.673 0.471 0.909 0.545 CB 1.368 Z: 14 45.586 2.192 1.366 0.936 1.000 0.538 CA 1.697 14 residues pruned to eliminate duplicates Z: 11 23.636 2.116 0.944 0.863 0.900 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 70 45.106 2.191 1.038 0.452 0.783 0.464 CB 1.632 65 residues pruned to eliminate duplicates Z: 16 51.358 2.367 1.147 0.888 1.000 0.600 CB 1.880 17 residues pruned to eliminate duplicates Z: 23 18.877 2.224 1.069 0.345 0.682 0.500 CB 1.518 29 residues pruned to eliminate duplicates Z: 17 41.290 2.319 0.965 0.825 1.000 0.688 CA 1.709 17 residues pruned to eliminate duplicates Z: 26 33.127 2.296 1.108 0.476 0.920 0.480 CB 1.524 26 residues pruned to eliminate duplicates Z: 15 28.720 2.324 0.621 0.889 0.929 0.571 CA 1.581 15 residues pruned to eliminate duplicates Z: 13 51.810 2.452 1.216 0.895 1.000 0.583 CB 1.973 13 residues pruned to eliminate duplicates Z: 16 34.632 2.300 0.881 0.844 0.867 0.733 CA 1.775 16 residues pruned to eliminate duplicates Z: 67 58.943 2.369 0.940 0.529 0.924 0.500 CB 1.660 100 residues pruned to eliminate duplicates Z: 49 42.082 2.245 0.958 0.569 0.812 0.583 CB 1.591 37 residues pruned to eliminate duplicates Z: 38 35.658 2.242 1.051 0.462 0.919 0.486 CB 1.442 39 residues pruned to eliminate duplicates Z: 13 40.862 2.304 1.006 0.927 1.000 0.917 CA 1.788 13 residues pruned to eliminate duplicates Z: 14 19.540 2.094 0.720 0.797 0.846 0.692 CB 1.371 13 residues pruned to eliminate duplicates Z: 23 28.050 2.149 0.939 0.461 0.955 0.591 CB 1.565 22 residues pruned to eliminate duplicates Z: 8 11.752 2.189 0.853 0.783 0.571 0.429 CA 1.493 8 residues pruned to eliminate duplicates Z: 67 54.726 2.346 0.932 0.532 0.833 0.621 CB 1.728 46 residues pruned to eliminate duplicates Z: 43 44.807 2.309 0.993 0.552 0.881 0.571 CB 1.621 55 residues pruned to eliminate duplicates Z: 23 29.163 2.198 1.036 0.482 0.909 0.682 CB 1.556 23 residues pruned to eliminate duplicates Z: 75 65.207 2.366 1.084 0.502 0.892 0.554 CB 1.721 75 residues pruned to eliminate duplicates Z: 13 30.737 2.274 0.694 0.881 1.000 0.917 CB 1.668 13 residues pruned to eliminate duplicates Z: 13 22.588 2.204 0.544 0.833 0.917 0.750 CA 1.567 13 residues pruned to eliminate duplicates Z: 23 35.746 2.396 1.106 0.437 0.909 0.500 CB 1.773 23 residues pruned to eliminate duplicates Z: 12 40.057 2.336 1.322 0.901 1.000 0.909 CA 1.589 12 residues pruned to eliminate duplicates Z: 13 29.750 2.039 1.086 0.895 1.000 0.750 CB 1.448 14 residues pruned to eliminate duplicates Z: 14 34.123 2.201 1.098 0.865 0.923 0.769 CA 1.627 14 residues pruned to eliminate duplicates Z: 28 22.344 2.186 0.695 0.463 0.852 0.556 CB 1.415 28 residues pruned to eliminate duplicates Z: 15 16.103 1.799 0.741 0.718 0.857 0.643 CA 1.316 15 residues pruned to eliminate duplicates Z: 6 7.117 2.306 0.341 0.443 0.600 0.400 CA 1.819 6 residues pruned to eliminate duplicates Z: 13 28.462 2.045 1.108 0.915 1.000 0.833 CA 1.347 12 residues pruned to eliminate duplicates Z: 7 8.898 1.506 0.778 0.742 1.000 0.667 CA 1.092 Z: 15 38.516 2.418 0.844 0.842 1.000 0.714 CA 1.720 15 residues pruned to eliminate duplicates Z: 17 41.413 2.276 0.972 0.864 0.938 0.625 CA 1.805 16 residues pruned to eliminate duplicates Z: 6 15.572 2.379 0.477 0.732 1.000 0.600 CB 1.609 6 residues pruned to eliminate duplicates Z: 30 25.129 2.078 0.757 0.455 0.966 0.552 CB 1.386 Z: 20 13.905 2.099 0.550 0.321 0.789 0.526 CB 1.514 20 residues pruned to eliminate duplicates Z: 87 54.848 2.291 0.938 0.461 0.860 0.477 CB 1.612 87 residues pruned to eliminate duplicates Z: 13 31.033 2.289 0.968 0.867 0.833 0.750 CA 1.746 13 residues pruned to eliminate duplicates Z: 12 40.459 2.385 1.612 0.895 0.909 0.545 CB 1.543 12 residues pruned to eliminate duplicates Z: 10 16.292 1.696 0.672 0.852 1.000 0.889 CA 1.417 9 residues pruned to eliminate duplicates Z: 28 25.107 2.112 1.038 0.376 0.852 0.481 CB 1.505 28 residues pruned to eliminate duplicates Z: 14 40.263 2.227 1.209 0.895 1.000 0.231 CB 1.627 14 residues pruned to eliminate duplicates Z: 13 27.496 1.986 0.899 0.820 1.000 0.750 CA 1.595 13 residues pruned to eliminate duplicates Z: 13 23.026 1.853 0.950 0.807 1.000 0.667 CA 1.407 13 residues pruned to eliminate duplicates Z: 23 43.272 2.309 1.080 0.678 1.000 0.773 CB 1.630 Z: 71 66.161 2.345 1.036 0.508 0.929 0.457 CB 1.769 49 residues pruned to eliminate duplicates Z: 16 29.383 2.176 0.785 0.901 1.000 0.800 CA 1.395 16 residues pruned to eliminate duplicates Z: 28 32.279 2.262 1.024 0.414 0.852 0.481 CB 1.744 28 residues pruned to eliminate duplicates Z: 21 22.848 2.152 0.783 0.490 0.900 0.400 CB 1.493 21 residues pruned to eliminate duplicates Z: 11 34.484 2.440 0.622 0.903 1.000 0.800 CA 1.965 11 residues pruned to eliminate duplicates Z: 16 36.195 2.211 1.135 0.914 0.933 0.667 CA 1.500 17 residues pruned to eliminate duplicates Z: 11 16.711 2.115 0.840 0.550 0.800 0.200 CB 1.616 11 residues pruned to eliminate duplicates Z: 9 11.902 2.112 0.517 0.508 0.875 0.625 CB 1.490 9 residues pruned to eliminate duplicates Z: 12 9.449 2.292 0.350 0.422 0.909 0.636 CB 1.098 12 residues pruned to eliminate duplicates Z: 6 16.113 2.132 0.841 0.831 1.000 0.800 CA 1.379 6 residues pruned to eliminate duplicates Z: 15 47.040 2.334 1.209 0.870 1.000 0.643 CB 1.781 15 residues pruned to eliminate duplicates Z: 16 12.562 1.878 0.847 0.372 0.800 0.600 CB 1.340 11 residues pruned to eliminate duplicates Z: 28 26.680 2.227 0.988 0.404 0.815 0.444 CB 1.574 28 residues pruned to eliminate duplicates Z: 12 30.233 2.113 1.100 0.881 1.000 0.909 CA 1.487 13 residues pruned to eliminate duplicates Z: 29 27.038 2.238 0.800 0.433 0.857 0.464 CB 1.586 29 residues pruned to eliminate duplicates Z: 51 60.526 2.360 1.110 0.592 0.900 0.680 CA 1.748 51 residues pruned to eliminate duplicates Z: 47 44.082 2.364 0.940 0.533 0.913 0.630 CB 1.502 43 residues pruned to eliminate duplicates Z: 12 46.619 2.484 1.279 0.923 1.000 0.818 CA 1.745 12 residues pruned to eliminate duplicates Z: 65 61.014 2.398 1.089 0.498 0.875 0.453 CB 1.743 69 residues pruned to eliminate duplicates Z: 43 42.434 2.328 0.975 0.562 0.857 0.500 CB 1.565 43 residues pruned to eliminate duplicates Z: 20 20.155 2.269 0.654 0.320 0.895 0.263 CB 1.679 20 residues pruned to eliminate duplicates Z: 28 18.925 2.074 0.485 0.455 0.815 0.444 CB 1.519 28 residues pruned to eliminate duplicates Z: 14 22.970 2.015 0.947 0.826 0.923 0.615 CB 1.327 Z: 77 52.233 2.335 0.861 0.442 0.882 0.500 CB 1.660 75 residues pruned to eliminate duplicates Z: 14 22.689 1.992 0.982 0.874 0.846 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 7 11.408 1.892 1.104 0.488 0.833 0.833 CA 1.421 Z: 16 39.891 2.324 0.939 0.875 0.933 0.800 CA 1.782 16 residues pruned to eliminate duplicates Z: 41 50.241 2.342 1.115 0.542 0.925 0.650 CB 1.664 41 residues pruned to eliminate duplicates Z: 39 51.927 2.339 1.183 0.578 0.895 0.526 CB 1.711 39 residues pruned to eliminate duplicates Z: 20 29.938 2.311 1.000 0.504 0.947 0.526 CB 1.563 20 residues pruned to eliminate duplicates Z: 12 29.118 2.352 0.990 0.865 0.909 0.909 CA 1.511 12 residues pruned to eliminate duplicates Z: 30 24.314 2.159 0.862 0.434 0.828 0.483 CB 1.453 30 residues pruned to eliminate duplicates Z: 11 25.061 2.060 0.754 0.843 1.000 0.800 CA 1.633 11 residues pruned to eliminate duplicates Z: 7 6.517 2.113 0.616 0.249 0.667 0.333 CA 1.560 Z: 26 37.667 2.308 1.110 0.664 0.880 0.400 CB 1.510 26 residues pruned to eliminate duplicates Z: 12 23.125 1.946 1.104 0.849 1.000 0.636 CA 1.263 12 residues pruned to eliminate duplicates Z: 28 21.952 2.058 0.753 0.451 0.852 0.593 CB 1.446 28 residues pruned to eliminate duplicates Z: 15 26.665 2.225 0.718 0.843 0.929 0.714 CA 1.495 15 residues pruned to eliminate duplicates Z: 15 36.200 2.330 0.963 0.896 1.000 0.714 CB 1.516 15 residues pruned to eliminate duplicates Z: 8 4.256 1.826 0.591 0.314 0.714 0.571 CB 0.953 Z: 63 62.015 2.399 1.038 0.528 0.919 0.484 CB 1.704 62 residues pruned to eliminate duplicates Z: 11 15.686 1.730 0.969 0.844 1.000 0.700 CB 1.083 Z: 11 20.890 2.080 0.726 0.779 1.000 0.700 CB 1.438 11 residues pruned to eliminate duplicates Z: 16 43.976 2.339 1.109 0.897 1.000 0.733 CB 1.647 16 residues pruned to eliminate duplicates Z: 17 27.929 2.064 0.966 0.789 0.812 0.625 CB 1.643 17 residues pruned to eliminate duplicates Z: 16 4.920 1.895 0.320 0.120 0.667 0.133 CB 1.227 16 residues pruned to eliminate duplicates Z: 17 40.107 2.240 0.940 0.835 0.938 0.688 CA 1.843 17 residues pruned to eliminate duplicates Z: 31 40.840 2.362 1.098 0.550 0.900 0.533 CB 1.592 31 residues pruned to eliminate duplicates Z: 13 18.832 2.138 0.486 0.719 0.833 0.417 CA 1.685 13 residues pruned to eliminate duplicates Z: 49 38.338 2.220 0.825 0.536 0.875 0.667 CB 1.506 51 residues pruned to eliminate duplicates Z: 76 50.217 2.388 0.756 0.501 0.840 0.547 CB 1.645 76 residues pruned to eliminate duplicates Z: 14 41.343 2.191 1.446 0.909 0.923 0.692 CB 1.646 14 residues pruned to eliminate duplicates Z: 11 21.950 2.237 1.379 0.625 0.800 0.400 CB 1.449 11 residues pruned to eliminate duplicates Z: 15 43.546 2.311 1.091 0.873 1.000 0.571 CB 1.754 15 residues pruned to eliminate duplicates Z: 13 5.950 1.959 0.312 0.361 0.667 0.417 CB 1.164 Z: 13 28.038 2.193 0.683 0.839 1.000 0.833 CA 1.638 13 residues pruned to eliminate duplicates Z: 11 14.181 2.348 0.173 0.489 0.900 0.500 CB 1.829 13 residues pruned to eliminate duplicates Z: 22 25.262 2.216 0.658 0.526 0.857 0.524 CA 1.706 22 residues pruned to eliminate duplicates Z: 17 16.495 2.090 0.656 0.322 0.875 0.500 CB 1.656 17 residues pruned to eliminate duplicates Z: 17 48.578 2.314 1.196 0.876 1.000 0.500 CB 1.736 17 residues pruned to eliminate duplicates Z: 11 9.892 2.152 0.457 0.475 0.900 0.900 CB 1.137 11 residues pruned to eliminate duplicates Z: 13 26.195 2.322 0.885 0.495 0.917 0.500 CB 1.893 Z: 12 12.080 2.044 0.768 0.394 0.818 0.364 CB 1.378 12 residues pruned to eliminate duplicates Z: 15 26.048 2.425 0.651 0.498 1.000 0.571 CB 1.742 14 residues pruned to eliminate duplicates Z: 20 15.128 2.368 0.531 0.294 0.789 0.474 CB 1.526 18 residues pruned to eliminate duplicates Z: 6 18.597 2.177 0.779 0.835 1.000 0.400 CA 1.609 6 residues pruned to eliminate duplicates Z: 12 34.258 2.417 0.762 0.910 1.000 1.000 CA 1.721 12 residues pruned to eliminate duplicates Z: 29 39.314 2.275 1.124 0.554 0.929 0.679 CB 1.571 29 residues pruned to eliminate duplicates Z: 16 37.990 2.408 0.848 0.885 0.933 0.733 CB 1.704 16 residues pruned to eliminate duplicates Z: 15 43.597 2.335 1.184 0.851 0.929 0.500 CB 1.822 15 residues pruned to eliminate duplicates Z: 31 42.777 2.389 1.079 0.618 0.867 0.500 CB 1.623 31 residues pruned to eliminate duplicates Z: 61 50.178 2.265 1.043 0.527 0.900 0.583 CB 1.515 61 residues pruned to eliminate duplicates Z: 10 17.907 2.264 0.585 0.494 1.000 0.778 CB 1.673 Z: 45 42.877 2.286 1.012 0.559 0.864 0.477 CB 1.536 44 residues pruned to eliminate duplicates Z: 17 43.076 2.355 0.870 0.850 1.000 0.750 CA 1.810 17 residues pruned to eliminate duplicates Z: 12 52.898 2.436 1.426 0.899 1.000 0.636 CB 1.929 12 residues pruned to eliminate duplicates Z: 12 26.983 2.139 0.821 0.855 1.000 0.818 CA 1.541 12 residues pruned to eliminate duplicates Z: 6 9.744 1.890 0.689 0.663 1.000 0.600 CA 1.174 6 residues pruned to eliminate duplicates Z: 32 29.849 2.110 0.856 0.423 0.935 0.355 CB 1.585 46 residues pruned to eliminate duplicates Z: 18 15.940 1.993 0.712 0.348 0.941 0.529 CB 1.419 Z: 17 43.238 2.270 1.070 0.889 1.000 0.812 CA 1.656 17 residues pruned to eliminate duplicates Z: 24 39.775 2.225 1.133 0.650 0.957 0.783 CB 1.588 24 residues pruned to eliminate duplicates Z: 32 23.274 2.143 0.690 0.421 0.903 0.548 CB 1.387 16 residues pruned to eliminate duplicates Z: 38 27.260 2.218 0.717 0.364 0.838 0.486 CB 1.626 38 residues pruned to eliminate duplicates Z: 13 26.732 2.443 0.388 0.925 1.000 0.917 CA 1.598 13 residues pruned to eliminate duplicates Z: 14 15.204 2.110 0.781 0.397 0.846 0.385 CB 1.478 14 residues pruned to eliminate duplicates Z: 17 35.903 2.248 1.055 0.851 0.875 0.562 CA 1.645 17 residues pruned to eliminate duplicates Z: 13 20.504 2.291 0.661 0.594 0.917 0.583 CB 1.550 13 residues pruned to eliminate duplicates Z: 16 32.793 2.320 0.514 0.872 1.000 0.733 CB 1.757 16 residues pruned to eliminate duplicates Z: 8 6.779 2.184 0.270 0.458 0.714 0.286 CB 1.351 8 residues pruned to eliminate duplicates Z: 81 53.398 2.279 0.976 0.463 0.863 0.512 CB 1.597 81 residues pruned to eliminate duplicates Z: 11 32.599 2.200 1.125 0.896 1.000 0.800 CA 1.579 11 residues pruned to eliminate duplicates Z: 14 26.552 2.216 0.790 0.877 0.923 0.538 CA 1.461 14 residues pruned to eliminate duplicates Z: 17 36.789 2.263 0.798 0.881 1.000 0.875 CA 1.637 17 residues pruned to eliminate duplicates Z: 12 32.888 2.401 0.771 0.929 1.000 1.000 CA 1.631 12 residues pruned to eliminate duplicates Z: 6 9.281 1.829 0.568 0.703 0.800 0.400 CA 1.504 6 residues pruned to eliminate duplicates Z: 16 28.929 2.170 0.831 0.853 0.933 0.733 CB 1.489 16 residues pruned to eliminate duplicates Z: 16 39.748 2.251 0.870 0.873 1.000 0.733 CB 1.775 16 residues pruned to eliminate duplicates Z: 11 8.724 1.918 0.461 0.368 0.900 0.600 CA 1.261 10 residues pruned to eliminate duplicates Z: 43 42.710 2.349 0.917 0.549 0.881 0.452 CB 1.583 43 residues pruned to eliminate duplicates Z: 18 30.571 2.164 0.912 0.855 0.882 0.765 CA 1.498 18 residues pruned to eliminate duplicates Z: 22 30.366 2.243 0.848 0.547 0.905 0.524 CA 1.687 23 residues pruned to eliminate duplicates Z: 29 28.973 2.229 0.864 0.496 0.893 0.500 CB 1.482 29 residues pruned to eliminate duplicates Z: 23 33.691 2.282 0.951 0.541 0.864 0.545 CB 1.794 23 residues pruned to eliminate duplicates Z: 13 27.186 2.061 1.042 0.868 0.917 0.750 CB 1.487 13 residues pruned to eliminate duplicates Z: 19 17.189 2.035 0.676 0.495 0.889 0.333 CB 1.343 10 residues pruned to eliminate duplicates Z: 13 13.402 2.080 0.780 0.460 0.833 0.667 CB 1.307 13 residues pruned to eliminate duplicates Z: 7 6.121 1.702 0.301 0.610 0.833 0.667 CB 1.219 Z: 53 52.864 2.357 1.084 0.489 0.904 0.558 CB 1.669 53 residues pruned to eliminate duplicates Z: 14 28.547 2.103 1.178 0.839 1.000 0.769 CB 1.291 14 residues pruned to eliminate duplicates Z: 8 13.336 2.026 0.935 0.748 0.714 0.286 CA 1.443 8 residues pruned to eliminate duplicates Z: 10 26.896 2.300 0.850 0.902 1.000 0.667 CA 1.502 10 residues pruned to eliminate duplicates Z: 17 47.801 2.496 1.066 0.857 0.875 0.562 CA 1.953 17 residues pruned to eliminate duplicates Z: 8 7.306 1.435 1.319 0.553 0.714 0.571 C 1.103 Z: 9 7.425 2.035 0.382 0.480 0.625 0.500 C 1.524 9 residues pruned to eliminate duplicates Z: 43 46.503 2.453 0.988 0.551 0.929 0.476 CB 1.508 46 residues pruned to eliminate duplicates Z: 10 26.297 2.378 1.195 0.800 0.778 0.333 CB 1.660 10 residues pruned to eliminate duplicates Z: 16 19.234 2.202 0.565 0.457 0.933 0.533 CB 1.613 17 residues pruned to eliminate duplicates Z: 11 36.572 2.477 0.979 0.930 1.000 0.900 CA 1.650 11 residues pruned to eliminate duplicates Z: 17 42.353 2.279 1.188 0.877 0.938 0.750 CA 1.644 17 residues pruned to eliminate duplicates Z: 12 25.571 2.067 0.927 0.882 1.000 0.818 CA 1.401 12 residues pruned to eliminate duplicates Z: 16 22.630 2.113 0.496 0.880 0.933 0.800 CB 1.435 16 residues pruned to eliminate duplicates Z: 16 37.180 2.417 0.841 0.847 0.933 0.400 CA 1.715 16 residues pruned to eliminate duplicates Z: 6 16.331 2.115 0.674 0.879 1.000 0.600 CA 1.496 6 residues pruned to eliminate duplicates Z: 11 26.595 2.208 0.589 0.906 1.000 1.000 CA 1.705 11 residues pruned to eliminate duplicates Z: 11 25.387 2.223 0.843 0.913 1.000 0.900 CA 1.387 11 residues pruned to eliminate duplicates Z: 19 16.758 2.333 0.681 0.374 0.833 0.556 CB 1.383 19 residues pruned to eliminate duplicates Z: 18 28.901 2.036 1.051 0.838 0.941 0.647 CA 1.333 18 residues pruned to eliminate duplicates Z: 21 23.577 2.009 1.124 0.485 0.800 0.400 CB 1.568 21 residues pruned to eliminate duplicates Z: 7 17.346 2.329 0.536 0.596 1.000 0.667 CB 1.806 7 residues pruned to eliminate duplicates Z: 14 25.206 1.977 0.797 0.924 1.000 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 21 23.990 2.214 0.773 0.478 0.850 0.500 CB 1.643 21 residues pruned to eliminate duplicates Z: 10 8.807 1.959 0.446 0.442 0.778 0.556 CA 1.414 10 residues pruned to eliminate duplicates Z: 10 4.626 1.935 0.393 0.153 0.667 0.333 CB 1.315 10 residues pruned to eliminate duplicates Z: 48 48.974 2.331 0.992 0.523 0.851 0.532 CB 1.767 49 residues pruned to eliminate duplicates Z: 27 32.758 2.220 0.964 0.560 0.923 0.654 CB 1.507 27 residues pruned to eliminate duplicates Z: 7 3.455 2.025 0.179 0.325 0.667 0.500 CB 1.074 7 residues pruned to eliminate duplicates Z: 57 51.339 2.283 0.926 0.493 0.946 0.464 CB 1.660 57 residues pruned to eliminate duplicates Z: 49 41.210 2.186 0.748 0.550 0.938 0.583 CB 1.581 52 residues pruned to eliminate duplicates Z: 7 5.555 1.630 0.722 0.265 0.833 0.500 CA 1.266 Z: 36 49.488 2.337 1.143 0.494 0.943 0.543 CB 1.782 36 residues pruned to eliminate duplicates Z: 27 27.298 2.148 0.639 0.602 0.846 0.538 CB 1.631 27 residues pruned to eliminate duplicates Z: 30 29.953 2.088 1.050 0.440 0.828 0.483 CB 1.670 20 residues pruned to eliminate duplicates Z: 8 15.727 1.860 1.172 0.871 0.857 0.571 CA 1.252 8 residues pruned to eliminate duplicates Z: 66 54.135 2.299 1.015 0.499 0.892 0.585 CB 1.626 66 residues pruned to eliminate duplicates Z: 70 47.632 2.251 0.937 0.481 0.855 0.420 CB 1.567 70 residues pruned to eliminate duplicates Z: 21 12.997 1.858 0.751 0.336 0.950 0.350 CB 1.125 21 residues pruned to eliminate duplicates Z: 36 34.031 2.234 0.895 0.489 0.886 0.457 CB 1.551 36 residues pruned to eliminate duplicates Z: 79 55.283 2.313 0.964 0.490 0.846 0.474 CB 1.645 79 residues pruned to eliminate duplicates Z: 83 56.703 2.281 0.813 0.500 0.878 0.500 CB 1.725 83 residues pruned to eliminate duplicates Z: 22 39.880 2.224 1.082 0.688 0.952 0.714 CA 1.661 22 residues pruned to eliminate duplicates Z: 17 16.316 2.070 0.644 0.434 0.812 0.375 CB 1.579 17 residues pruned to eliminate duplicates Z: 35 36.213 2.311 0.828 0.506 0.853 0.588 CB 1.714 35 residues pruned to eliminate duplicates Z: 14 10.166 1.943 0.603 0.344 0.769 0.615 CB 1.394 14 residues pruned to eliminate duplicates Z: 12 35.494 2.415 1.119 0.867 1.000 0.909 CB 1.530 12 residues pruned to eliminate duplicates Z: 7 3.646 1.592 0.557 0.401 0.833 0.500 CB 0.799 Z: 6 6.339 1.854 0.566 0.565 0.800 0.400 CB 1.146 Z: 11 19.543 2.387 0.847 0.697 0.700 0.400 CB 1.672 11 residues pruned to eliminate duplicates Z: 13 23.849 1.972 1.098 0.864 0.917 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 32 38.858 2.338 0.951 0.560 0.903 0.516 CB 1.598 32 residues pruned to eliminate duplicates Z: 33 54.662 2.537 1.141 0.538 0.938 0.438 CB 1.829 33 residues pruned to eliminate duplicates Z: 10 9.693 2.065 0.400 0.399 0.889 0.444 CB 1.399 10 residues pruned to eliminate duplicates Z: 11 13.392 1.801 0.336 0.921 0.900 0.900 CA 1.376 12 residues pruned to eliminate duplicates Z: 8 7.890 2.033 0.830 0.577 0.714 0.571 CB 1.042 Z: 15 30.306 2.325 0.678 0.872 0.929 0.786 CA 1.629 16 residues pruned to eliminate duplicates Z: 10 19.224 1.870 0.754 0.812 1.000 0.778 CB 1.489 10 residues pruned to eliminate duplicates Z: 13 26.862 2.120 1.053 0.878 0.833 0.583 CB 1.551 13 residues pruned to eliminate duplicates Z: 64 47.281 2.310 0.804 0.472 0.889 0.381 CB 1.654 64 residues pruned to eliminate duplicates Z: 9 8.429 1.902 0.220 0.720 0.875 0.625 CB 1.204 10 residues pruned to eliminate duplicates Z: 8 9.841 2.253 0.224 0.506 0.714 0.571 CA 1.878 8 residues pruned to eliminate duplicates Z: 7 16.608 2.060 0.893 0.812 1.000 0.667 CB 1.325 7 residues pruned to eliminate duplicates Z: 13 15.424 2.124 0.739 0.419 0.750 0.583 CA 1.749 13 residues pruned to eliminate duplicates Z: 14 14.671 2.141 0.631 0.442 0.923 0.692 CB 1.340 14 residues pruned to eliminate duplicates Z: 14 36.844 2.421 0.648 0.871 1.000 0.769 CB 1.868 14 residues pruned to eliminate duplicates Z: 7 8.908 1.670 0.799 0.532 0.833 0.833 O 1.408 7 residues pruned to eliminate duplicates Z: 13 12.329 2.076 0.535 0.332 0.833 0.583 CA 1.612 13 residues pruned to eliminate duplicates Z: 15 21.237 2.274 0.278 0.892 1.000 0.929 CA 1.402 15 residues pruned to eliminate duplicates Z: 28 15.715 1.991 0.856 0.313 0.778 0.370 CB 1.294 28 residues pruned to eliminate duplicates Z: 15 29.123 2.234 0.954 0.883 0.929 0.786 CA 1.389 15 residues pruned to eliminate duplicates Z: 43 21.300 1.981 0.472 0.499 0.810 0.571 CB 1.394 35 residues pruned to eliminate duplicates Z: 25 28.015 2.085 0.952 0.495 0.917 0.625 CB 1.540 25 residues pruned to eliminate duplicates Z: 6 5.080 1.298 0.864 0.776 1.000 0.600 CB 0.736 Z: 37 35.224 2.252 1.103 0.428 0.861 0.417 CB 1.552 37 residues pruned to eliminate duplicates Z: 12 30.945 2.359 0.620 0.925 1.000 1.000 CA 1.713 12 residues pruned to eliminate duplicates Z: 57 32.489 2.097 0.711 0.466 0.857 0.482 CB 1.461 57 residues pruned to eliminate duplicates Z: 18 13.998 1.979 0.690 0.349 0.765 0.353 CB 1.564 18 residues pruned to eliminate duplicates Z: 15 10.184 1.982 0.665 0.393 0.786 0.500 CB 1.176 17 residues pruned to eliminate duplicates Z: 31 40.694 2.302 0.998 0.571 0.867 0.533 CB 1.741 31 residues pruned to eliminate duplicates Z: 9 10.175 1.702 0.506 0.742 0.875 0.625 CA 1.291 9 residues pruned to eliminate duplicates Z: 15 37.182 2.454 0.733 0.844 0.929 0.857 CA 1.872 15 residues pruned to eliminate duplicates Z: 13 42.298 2.181 1.548 0.918 0.917 0.667 CA 1.690 13 residues pruned to eliminate duplicates Z: 9 7.266 2.042 0.188 0.520 0.875 0.625 CB 1.186 13 residues pruned to eliminate duplicates Z: 8 16.280 1.904 0.718 0.657 1.000 0.714 CA 1.626 8 residues pruned to eliminate duplicates Z: 13 33.999 2.301 0.942 0.830 1.000 0.583 CB 1.651 13 residues pruned to eliminate duplicates Z: 13 35.053 2.175 1.216 0.918 0.917 0.833 CA 1.616 13 residues pruned to eliminate duplicates Z: 8 16.404 2.023 0.828 0.841 0.857 0.857 CB 1.459 8 residues pruned to eliminate duplicates Z: 8 11.920 1.916 0.351 0.846 0.857 0.429 CB 1.508 8 residues pruned to eliminate duplicates Z: 45 42.602 2.420 0.803 0.530 0.932 0.773 CB 1.533 45 residues pruned to eliminate duplicates Z: 16 13.562 1.956 0.561 0.377 0.800 0.533 N 1.634 16 residues pruned to eliminate duplicates Z: 26 40.603 2.274 0.965 0.648 0.920 0.520 CB 1.721 26 residues pruned to eliminate duplicates Z: 6 3.263 1.849 -0.029 0.386 0.800 0.600 CB 1.147 Z: 49 31.783 2.070 0.707 0.510 0.917 0.375 CB 1.402 49 residues pruned to eliminate duplicates Z: 30 43.892 2.385 1.098 0.517 0.966 0.517 CB 1.660 30 residues pruned to eliminate duplicates Z: 8 7.949 1.937 0.706 0.475 0.857 0.714 CB 1.087 8 residues pruned to eliminate duplicates Z: 11 30.950 2.473 1.404 0.769 0.800 0.600 CA 1.622 11 residues pruned to eliminate duplicates Z: 8 19.884 2.086 0.581 0.869 1.000 0.714 CA 1.665 8 residues pruned to eliminate duplicates Z: 6 4.591 2.084 0.666 0.414 0.600 0.400 CA 1.078 6 residues pruned to eliminate duplicates Z: 9 21.378 2.129 1.048 0.647 1.000 0.750 CB 1.511 9 residues pruned to eliminate duplicates Z: 26 17.527 2.116 0.573 0.468 0.760 0.320 CB 1.432 26 residues pruned to eliminate duplicates Z: 18 19.091 2.044 0.661 0.776 0.882 0.882 CB 1.211 18 residues pruned to eliminate duplicates Z: 28 22.641 2.134 0.940 0.388 0.815 0.444 CB 1.454 28 residues pruned to eliminate duplicates Z: 16 22.555 2.079 0.802 0.873 0.867 0.467 CB 1.306 16 residues pruned to eliminate duplicates Z: 8 18.629 2.031 1.025 0.874 0.857 0.857 CB 1.454 8 residues pruned to eliminate duplicates Z: 14 49.669 2.592 1.183 0.918 1.000 0.769 CB 1.717 14 residues pruned to eliminate duplicates Z: 15 25.665 2.193 0.763 0.916 0.857 0.786 CA 1.462 15 residues pruned to eliminate duplicates Z: 26 27.118 2.173 0.863 0.560 0.800 0.520 CB 1.580 26 residues pruned to eliminate duplicates Z: 16 27.379 2.122 0.802 0.879 0.933 0.733 CA 1.437 16 residues pruned to eliminate duplicates Z: 11 21.405 2.042 0.850 0.906 1.000 1.000 CA 1.274 11 residues pruned to eliminate duplicates Z: 11 21.559 2.228 0.937 0.838 0.900 0.500 CA 1.312 11 residues pruned to eliminate duplicates Z: 6 5.159 1.715 1.117 0.299 0.600 0.400 CA 1.325 Z: 113 63.623 2.267 0.934 0.478 0.866 0.589 CB 1.618 113 residues pruned to eliminate duplicates Z: 6 3.001 1.775 0.857 0.437 0.800 0.600 CB 0.543 Z: 15 33.410 2.162 0.970 0.902 1.000 0.929 CA 1.495 15 residues pruned to eliminate duplicates Z: 15 34.665 2.155 1.060 0.876 1.000 0.714 CB 1.517 15 residues pruned to eliminate duplicates Z: 22 32.429 2.259 0.920 0.514 0.952 0.571 CB 1.690 22 residues pruned to eliminate duplicates Z: 22 29.452 2.253 1.056 0.465 0.952 0.571 CB 1.509 22 residues pruned to eliminate duplicates Z: 66 55.944 2.357 1.062 0.507 0.831 0.477 CB 1.707 66 residues pruned to eliminate duplicates Z: 17 37.228 2.231 1.022 0.885 0.938 0.750 CA 1.589 17 residues pruned to eliminate duplicates Z: 17 18.294 2.254 0.584 0.398 0.938 0.500 CB 1.523 17 residues pruned to eliminate duplicates Z: 12 21.466 2.085 0.738 0.885 1.000 0.909 CA 1.290 12 residues pruned to eliminate duplicates Z: 9 10.172 2.212 0.665 0.785 0.750 0.375 CB 1.013 9 residues pruned to eliminate duplicates Z: 35 30.810 2.171 0.875 0.550 0.912 0.471 CB 1.356 35 residues pruned to eliminate duplicates Z: 34 24.412 2.188 1.018 0.403 0.788 0.424 CB 1.353 34 residues pruned to eliminate duplicates Z: 58 41.409 2.171 0.828 0.478 0.895 0.614 CB 1.578 58 residues pruned to eliminate duplicates Z: 14 8.974 1.747 0.807 0.418 0.769 0.462 CB 1.116 Z: 29 34.209 2.036 0.876 0.584 0.964 0.679 CA 1.619 29 residues pruned to eliminate duplicates Z: 8 13.420 1.951 0.560 0.808 0.857 0.571 CB 1.487 8 residues pruned to eliminate duplicates Z: 14 34.811 2.220 1.351 0.821 1.000 0.385 CB 1.400 14 residues pruned to eliminate duplicates Z: 17 21.898 2.189 0.886 0.562 0.938 0.625 CB 1.332 17 residues pruned to eliminate duplicates Z: 6 15.402 2.249 1.300 0.755 0.800 0.600 CA 1.326 6 residues pruned to eliminate duplicates Z: 7 7.923 1.799 0.573 0.609 0.833 0.667 CB 1.238 5 residues pruned to eliminate duplicates Z: 7 8.903 2.014 0.548 0.622 0.667 0.500 CA 1.559 7 residues pruned to eliminate duplicates Z: 20 36.002 2.261 0.958 0.608 0.947 0.684 CA 1.777 20 residues pruned to eliminate duplicates Z: 67 53.761 2.346 0.962 0.489 0.864 0.455 CB 1.683 67 residues pruned to eliminate duplicates Z: 11 16.805 2.196 0.544 0.886 0.900 0.600 CA 1.257 11 residues pruned to eliminate duplicates Z: 8 13.916 2.166 0.364 0.871 0.714 0.571 CB 1.817 8 residues pruned to eliminate duplicates Z: 66 57.090 2.357 1.062 0.500 0.862 0.508 CB 1.692 78 residues pruned to eliminate duplicates Z: 29 42.871 2.366 1.056 0.565 0.893 0.500 CA 1.751 29 residues pruned to eliminate duplicates Z: 7 13.900 2.086 0.333 0.900 1.000 1.000 CB 1.458 7 residues pruned to eliminate duplicates Z: 10 5.049 1.728 0.631 0.400 0.556 0.444 O 1.195 10 residues pruned to eliminate duplicates Z: 19 10.306 2.053 0.610 0.446 0.778 0.500 CB 0.998 Z: 37 29.279 2.137 0.751 0.423 0.917 0.556 CB 1.541 37 residues pruned to eliminate duplicates Z: 67 54.066 2.369 0.997 0.481 0.879 0.576 CB 1.632 67 residues pruned to eliminate duplicates Z: 31 38.092 2.223 0.985 0.508 0.933 0.367 CA 1.676 31 residues pruned to eliminate duplicates Z: 8 4.861 1.333 1.087 0.528 0.714 0.571 N 0.900 8 residues pruned to eliminate duplicates Z: 16 44.193 2.365 1.080 0.885 1.000 0.933 CA 1.675 16 residues pruned to eliminate duplicates Z: 7 9.164 1.717 0.799 0.673 0.833 0.500 N 1.238 7 residues pruned to eliminate duplicates Z: 17 12.006 1.909 0.563 0.494 0.875 0.562 CB 1.157 16 residues pruned to eliminate duplicates Z: 6 8.234 2.119 0.976 0.544 0.800 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 22 41.392 2.245 1.181 0.685 0.952 0.667 CB 1.635 23 residues pruned to eliminate duplicates Z: 8 20.083 1.979 0.920 0.889 1.000 0.571 CB 1.439 8 residues pruned to eliminate duplicates Z: 76 58.029 2.347 1.000 0.475 0.880 0.560 CB 1.663 76 residues pruned to eliminate duplicates Z: 28 21.058 2.186 0.751 0.350 0.815 0.407 CB 1.529 28 residues pruned to eliminate duplicates Z: 22 11.615 1.918 0.628 0.416 0.667 0.476 CB 1.330 22 residues pruned to eliminate duplicates Z: 12 18.711 1.897 0.788 0.888 1.000 0.909 CA 1.199 12 residues pruned to eliminate duplicates Z: 16 35.657 2.295 0.806 0.839 0.933 0.600 CB 1.778 16 residues pruned to eliminate duplicates Z: 19 24.287 2.170 1.122 0.496 0.778 0.500 CA 1.605 19 residues pruned to eliminate duplicates Z: 6 2.989 1.780 -0.158 0.410 0.800 0.800 CB 1.225 Z: 17 51.079 2.492 1.022 0.874 1.000 0.688 CA 1.845 17 residues pruned to eliminate duplicates Z: 11 17.046 1.757 0.842 0.862 1.000 0.700 CA 1.223 11 residues pruned to eliminate duplicates Z: 27 20.105 2.185 0.864 0.431 0.808 0.385 CB 1.288 27 residues pruned to eliminate duplicates Z: 80 65.690 2.378 0.958 0.506 0.861 0.582 CB 1.834 80 residues pruned to eliminate duplicates Z: 21 36.381 2.255 0.932 0.726 0.950 0.650 CA 1.603 21 residues pruned to eliminate duplicates Z: 18 40.522 2.108 1.146 0.884 1.000 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 7 3.268 1.599 0.300 0.340 0.667 0.500 CB 1.146 Z: 8 12.323 2.044 0.278 0.885 0.857 0.857 CB 1.501 8 residues pruned to eliminate duplicates Z: 17 41.705 2.306 1.023 0.840 0.938 0.625 CA 1.780 17 residues pruned to eliminate duplicates Z: 12 37.976 2.410 0.735 0.910 1.000 0.727 CB 1.942 12 residues pruned to eliminate duplicates Z: 8 16.826 2.004 0.745 0.843 0.857 0.571 CB 1.580 8 residues pruned to eliminate duplicates Z: 17 17.172 2.037 0.928 0.427 0.750 0.500 CB 1.572 17 residues pruned to eliminate duplicates Z: 9 13.839 1.768 0.765 0.884 0.875 0.750 CB 1.294 9 residues pruned to eliminate duplicates Z: 117 82.557 2.295 1.090 0.557 0.940 0.603 CB 1.609 119 residues pruned to eliminate duplicates Z: 17 14.971 2.145 0.690 0.513 0.938 0.625 CB 1.088 17 residues pruned to eliminate duplicates Z: 37 39.435 2.165 1.042 0.568 0.861 0.528 CB 1.616 37 residues pruned to eliminate duplicates Z: 24 27.559 2.181 0.872 0.532 0.913 0.391 CB 1.493 24 residues pruned to eliminate duplicates Z: 18 15.885 2.133 0.478 0.408 0.882 0.647 CB 1.524 28 residues pruned to eliminate duplicates Z: 14 25.490 2.096 1.220 0.842 0.923 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 8 14.408 1.862 0.758 0.858 0.857 0.714 CA 1.430 8 residues pruned to eliminate duplicates Z: 22 15.949 2.080 0.840 0.331 0.714 0.476 CB 1.533 23 residues pruned to eliminate duplicates Z: 16 8.400 1.973 0.652 0.254 0.800 0.400 CB 1.104 16 residues pruned to eliminate duplicates 6 1.668 1.709 0.368 0.300 0.600 0.600 CB 0.665 ? Z: 15 21.794 2.229 0.408 0.891 0.929 0.929 CA 1.437 15 residues pruned to eliminate duplicates Z: 79 66.093 2.401 0.906 0.535 0.897 0.526 CB 1.761 79 residues pruned to eliminate duplicates Z: 20 17.963 2.267 0.724 0.372 0.842 0.474 CB 1.436 20 residues pruned to eliminate duplicates Z: 46 54.324 2.300 1.042 0.560 0.933 0.533 CB 1.741 56 residues pruned to eliminate duplicates 8 0.732 1.784 0.326 0.201 0.429 0.286 CB 0.389 ? Z: 13 4.375 1.659 0.324 0.300 0.917 0.417 CB 0.784 Z: 25 24.367 2.189 0.956 0.453 0.875 0.625 CB 1.393 25 residues pruned to eliminate duplicates Z: 28 33.059 2.434 0.821 0.523 0.852 0.667 CB 1.648 28 residues pruned to eliminate duplicates Z: 19 10.659 2.002 0.471 0.261 0.778 0.444 CB 1.441 Z: 7 7.492 1.964 0.421 0.398 0.833 0.667 O 1.464 6 residues pruned to eliminate duplicates Z: 16 39.149 2.538 0.941 0.844 0.800 0.533 CB 1.908 16 residues pruned to eliminate duplicates Z: 47 40.017 2.324 1.070 0.490 0.804 0.413 CB 1.539 47 residues pruned to eliminate duplicates Z: 20 8.339 2.081 0.209 0.352 0.842 0.474 CB 1.060 20 residues pruned to eliminate duplicates 7 1.796 1.682 0.343 0.243 0.500 0.333 CB 0.873 ? Z: 8 9.751 1.739 0.915 0.753 0.714 0.429 CB 1.237 8 residues pruned to eliminate duplicates Z: 7 5.216 1.682 0.350 0.437 0.833 0.333 CB 1.200 Z: 29 17.330 2.087 0.584 0.461 0.786 0.607 CB 1.313 29 residues pruned to eliminate duplicates Z: 16 52.414 2.390 1.196 0.895 1.000 0.733 CB 1.849 16 residues pruned to eliminate duplicates Z: 6 25.097 2.220 1.260 0.699 1.000 0.600 CA 1.867 6 residues pruned to eliminate duplicates Z: 24 38.944 2.230 1.229 0.671 0.913 0.826 CB 1.528 23 residues pruned to eliminate duplicates Z: 14 14.250 2.197 0.658 0.360 0.769 0.462 CB 1.640 14 residues pruned to eliminate duplicates Z: 51 49.523 2.364 1.063 0.477 0.920 0.500 CB 1.598 51 residues pruned to eliminate duplicates Z: 6 13.944 2.154 0.828 0.598 1.000 0.600 CB 1.443 6 residues pruned to eliminate duplicates Z: 84 67.376 2.358 1.001 0.541 0.892 0.590 CB 1.688 84 residues pruned to eliminate duplicates Z: 6 2.865 1.649 -0.207 0.362 1.000 0.600 CB 1.136 Z: 16 25.037 2.253 0.474 0.879 0.933 0.800 CA 1.512 16 residues pruned to eliminate duplicates Z: 11 13.651 1.721 0.994 0.723 0.900 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 30 39.006 2.277 1.100 0.544 0.897 0.345 CB 1.618 30 residues pruned to eliminate duplicates Z: 7 5.671 1.617 0.945 0.392 0.667 0.667 CA 1.238 7 residues pruned to eliminate duplicates Z: 33 38.587 2.337 0.983 0.415 0.906 0.438 CB 1.775 33 residues pruned to eliminate duplicates Z: 9 11.322 1.787 0.543 0.532 1.000 0.500 CB 1.406 Z: 31 56.683 2.444 1.074 0.617 0.967 0.467 CA 1.891 31 residues pruned to eliminate duplicates Z: 12 30.028 2.237 0.949 0.882 1.000 0.727 CB 1.503 12 residues pruned to eliminate duplicates Z: 7 9.980 1.646 0.742 0.820 1.000 0.833 CA 1.076 6 residues pruned to eliminate duplicates Z: 7 5.741 1.994 0.065 0.700 1.000 0.833 CB 0.920 Z: 14 14.068 2.102 0.612 0.413 0.846 0.692 CB 1.491 Z: 13 9.420 1.878 0.190 0.470 0.833 0.750 CB 1.506 Z: 16 34.687 2.292 0.730 0.871 0.933 0.800 CA 1.766 16 residues pruned to eliminate duplicates Z: 39 43.804 2.403 0.936 0.452 0.921 0.658 CB 1.741 39 residues pruned to eliminate duplicates Z: 86 50.376 2.236 1.024 0.479 0.812 0.459 CB 1.519 86 residues pruned to eliminate duplicates Z: 15 32.519 2.217 0.851 0.902 1.000 0.929 CA 1.511 15 residues pruned to eliminate duplicates Z: 43 32.086 2.216 0.881 0.427 0.857 0.571 CB 1.495 43 residues pruned to eliminate duplicates Z: 13 26.927 2.245 0.789 0.913 0.917 0.667 CA 1.494 13 residues pruned to eliminate duplicates Z: 8 18.796 1.932 0.724 0.890 1.000 0.429 CB 1.534 8 residues pruned to eliminate duplicates Z: 24 21.939 2.148 0.753 0.453 0.870 0.696 CB 1.467 24 residues pruned to eliminate duplicates Z: 12 6.486 1.864 0.522 0.475 0.818 0.364 CB 0.865 Z: 100 63.263 2.288 0.863 0.533 0.889 0.556 CB 1.624 100 residues pruned to eliminate duplicates Z: 54 39.732 2.218 0.763 0.478 0.906 0.547 CB 1.575 54 residues pruned to eliminate duplicates 8 1.661 1.772 0.005 0.259 0.714 0.429 CB 0.650 ? Z: 14 38.995 2.277 1.151 0.916 1.000 0.385 CA 1.559 14 residues pruned to eliminate duplicates Z: 45 45.222 2.444 0.930 0.516 0.932 0.409 CB 1.526 45 residues pruned to eliminate duplicates Z: 17 30.111 2.254 0.655 0.867 0.938 0.750 CA 1.574 17 residues pruned to eliminate duplicates Z: 14 15.897 2.168 0.573 0.426 0.846 0.538 CB 1.650 14 residues pruned to eliminate duplicates Z: 9 2.831 1.474 0.200 0.310 0.625 0.500 CB 1.116 Z: 10 12.467 1.943 0.501 0.685 1.000 0.667 CB 1.202 10 residues pruned to eliminate duplicates Z: 6 2.473 1.624 -0.398 0.760 1.000 0.800 N 0.897 Z: 11 5.312 1.904 0.171 0.272 0.800 0.600 CB 1.220 Z: 7 7.920 1.935 1.257 0.556 0.833 0.833 CB 0.842 Z: 32 43.847 2.345 1.177 0.561 0.871 0.419 CB 1.669 32 residues pruned to eliminate duplicates Z: 41 38.482 2.243 0.903 0.522 0.875 0.475 CB 1.594 41 residues pruned to eliminate duplicates Z: 13 10.492 1.707 0.950 0.428 0.750 0.333 CB 1.307 Z: 7 3.920 1.888 0.105 0.388 0.667 0.667 CB 1.296 5 residues pruned to eliminate duplicates Z: 17 9.820 1.843 0.510 0.433 0.875 0.625 CB 1.081 17 residues pruned to eliminate duplicates Z: 54 40.886 2.212 0.828 0.517 0.887 0.509 CB 1.541 54 residues pruned to eliminate duplicates Z: 12 7.734 2.079 0.762 0.211 0.727 0.273 CB 1.231 12 residues pruned to eliminate duplicates Z: 7 11.289 2.041 0.715 0.753 0.833 0.500 CA 1.262 7 residues pruned to eliminate duplicates Z: 9 31.095 2.145 1.305 0.722 1.000 0.625 O 1.819 18 residues pruned to eliminate duplicates Z: 16 13.466 2.033 0.382 0.376 1.000 0.533 CB 1.413 16 residues pruned to eliminate duplicates Z: 22 29.795 2.233 1.173 0.459 0.905 0.524 CB 1.544 22 residues pruned to eliminate duplicates Z: 33 25.983 2.151 0.751 0.444 0.875 0.500 CB 1.477 32 residues pruned to eliminate duplicates Z: 40 34.636 2.122 0.881 0.463 0.923 0.590 CB 1.563 40 residues pruned to eliminate duplicates Z: 13 18.334 2.207 0.858 0.449 0.917 0.583 CB 1.484 13 residues pruned to eliminate duplicates Z: 10 15.776 1.677 1.010 0.741 0.889 0.667 CB 1.414 10 residues pruned to eliminate duplicates Z: 8 6.848 1.744 0.672 0.824 0.714 0.429 CB 0.938 8 residues pruned to eliminate duplicates Z: 9 4.953 1.585 0.099 0.371 1.000 0.625 CB 1.154 6 residues pruned to eliminate duplicates 6 1.175 1.381 0.405 0.376 0.800 0.400 CB 0.386 ? Z: 8 10.408 2.077 0.548 0.406 0.857 0.714 CB 1.575 8 residues pruned to eliminate duplicates Z: 49 25.654 2.076 0.716 0.406 0.854 0.292 CB 1.342 74 residues pruned to eliminate duplicates Z: 8 3.663 1.776 0.354 0.432 0.571 0.429 CB 1.082 Z: 12 27.866 1.991 1.118 0.908 1.000 0.545 CB 1.415 12 residues pruned to eliminate duplicates Z: 39 28.327 2.123 0.625 0.556 0.842 0.553 CB 1.499 39 residues pruned to eliminate duplicates Z: 6 5.712 1.796 0.360 0.427 0.800 0.600 N 1.412 6 residues pruned to eliminate duplicates Z: 30 39.847 2.374 0.996 0.578 0.897 0.586 CB 1.617 30 residues pruned to eliminate duplicates Z: 8 2.848 1.772 0.182 0.639 0.857 0.857 CB 0.526 Z: 15 5.328 1.570 0.448 0.392 0.857 0.571 CB 0.819 Z: 7 13.590 2.046 0.839 0.795 0.833 0.667 CA 1.366 7 residues pruned to eliminate duplicates Z: 42 23.345 2.030 0.639 0.439 0.854 0.439 CB 1.367 42 residues pruned to eliminate duplicates Z: 7 13.749 2.047 0.817 0.711 1.000 0.833 CB 1.245 7 residues pruned to eliminate duplicates Z: 10 11.164 1.654 0.931 0.596 0.889 0.667 CB 1.196 Z: 14 32.896 2.320 0.856 0.896 0.923 0.846 CB 1.644 15 residues pruned to eliminate duplicates Z: 11 10.452 1.975 0.666 0.447 0.800 0.400 CB 1.326 11 residues pruned to eliminate duplicates Z: 8 8.886 1.925 0.806 0.425 0.857 0.571 CB 1.218 Z: 10 13.172 1.757 0.666 0.719 0.889 0.444 CB 1.384 10 residues pruned to eliminate duplicates Z: 8 2.168 1.809 0.121 0.547 0.857 0.571 CB 0.450 Z: 7 5.173 1.828 0.537 0.276 0.833 0.500 CB 1.162 Z: 55 55.932 2.358 1.176 0.480 0.889 0.556 CB 1.702 55 residues pruned to eliminate duplicates Z: 25 22.562 2.118 0.703 0.442 0.917 0.417 CB 1.479 Z: 39 39.202 2.178 0.971 0.525 0.921 0.579 CB 1.570 38 residues pruned to eliminate duplicates Z: 10 20.508 1.926 1.003 0.782 0.889 0.556 CB 1.555 10 residues pruned to eliminate duplicates Z: 17 15.340 2.066 0.581 0.367 0.938 0.500 CB 1.445 16 residues pruned to eliminate duplicates Z: 54 39.084 2.171 0.826 0.464 0.925 0.604 CB 1.519 54 residues pruned to eliminate duplicates Z: 7 2.968 2.066 0.385 0.316 0.500 0.500 CB 1.038 9 residues pruned to eliminate duplicates Z: 15 31.941 2.407 0.613 0.821 0.929 0.786 CA 1.792 15 residues pruned to eliminate duplicates Z: 10 7.270 1.883 0.223 0.523 0.778 0.667 CB 1.323 10 residues pruned to eliminate duplicates Z: 10 9.007 1.776 0.094 0.634 1.000 0.556 CB 1.363 8 residues pruned to eliminate duplicates Z: 11 23.048 2.096 0.883 0.690 0.900 0.500 CA 1.724 11 residues pruned to eliminate duplicates Z: 9 7.736 1.930 0.854 0.308 0.750 0.375 CB 1.261 Z: 10 16.207 1.684 0.722 0.815 1.000 0.556 CB 1.417 10 residues pruned to eliminate duplicates Z: 30 40.095 2.230 1.064 0.561 0.931 0.655 CB 1.637 30 residues pruned to eliminate duplicates Z: 16 32.238 2.209 0.652 0.930 1.000 0.733 CA 1.596 14 residues pruned to eliminate duplicates Z: 10 16.926 2.112 1.517 0.589 0.778 0.111 CB 1.252 10 residues pruned to eliminate duplicates Z: 8 6.974 2.021 0.016 0.638 0.857 0.571 CB 1.316 Z: 8 17.796 1.924 1.039 0.864 0.857 0.286 CB 1.466 8 residues pruned to eliminate duplicates Z: 7 5.601 1.882 -0.041 0.513 1.000 0.833 N 1.252 8 residues pruned to eliminate duplicates Z: 18 18.492 2.008 1.083 0.437 0.882 0.706 CB 1.297 18 residues pruned to eliminate duplicates Z: 14 40.558 2.275 1.113 0.936 1.000 0.769 CA 1.630 14 residues pruned to eliminate duplicates 8 1.776 1.348 0.482 0.290 0.571 0.571 C 0.745 ? Z: 6 3.524 1.514 0.288 0.446 1.000 0.400 CB 0.854 Z: 57 39.904 2.235 0.701 0.499 0.893 0.571 CB 1.572 57 residues pruned to eliminate duplicates Z: 9 11.569 1.748 0.476 0.837 0.875 0.500 CB 1.355 10 residues pruned to eliminate duplicates Z: 7 10.254 1.867 0.929 0.408 1.000 0.500 N 1.279 8 residues pruned to eliminate duplicates Z: 23 35.583 2.119 1.006 0.650 0.955 0.455 CA 1.626 23 residues pruned to eliminate duplicates Z: 8 15.774 2.039 0.581 0.903 1.000 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 61 54.148 2.307 1.104 0.499 0.883 0.533 CB 1.632 61 residues pruned to eliminate duplicates Z: 14 22.462 2.071 1.114 0.865 0.846 0.538 CB 1.232 14 residues pruned to eliminate duplicates Z: 29 26.947 2.081 1.008 0.467 0.857 0.536 CB 1.471 38 residues pruned to eliminate duplicates Z: 7 2.726 1.797 -0.073 0.504 0.667 0.500 CB 0.998 Z: 82 64.539 2.311 0.887 0.543 0.914 0.630 CB 1.725 82 residues pruned to eliminate duplicates Z: 8 7.991 1.984 0.305 0.583 0.857 0.429 CB 1.257 8 residues pruned to eliminate duplicates Z: 8 5.718 2.076 0.110 0.413 0.714 0.571 CB 1.439 Z: 38 42.390 2.358 1.005 0.482 0.892 0.514 CB 1.682 38 residues pruned to eliminate duplicates Z: 19 20.178 2.208 0.667 0.382 0.889 0.611 CB 1.648 19 residues pruned to eliminate duplicates Z: 38 27.169 2.201 0.684 0.452 0.838 0.568 CB 1.510 38 residues pruned to eliminate duplicates Z: 18 13.855 2.132 0.629 0.453 0.824 0.471 CB 1.233 18 residues pruned to eliminate duplicates Z: 6 2.984 1.471 0.656 0.307 0.800 0.400 CB 0.849 Z: 51 45.172 2.233 0.955 0.498 0.940 0.560 CB 1.560 51 residues pruned to eliminate duplicates Z: 25 17.817 2.105 0.816 0.359 0.708 0.458 CB 1.563 25 residues pruned to eliminate duplicates Z: 7 2.461 1.672 -0.048 0.590 0.833 0.667 CB 0.694 Z: 41 33.686 2.196 0.769 0.492 0.850 0.525 CB 1.626 41 residues pruned to eliminate duplicates Z: 8 6.790 1.899 0.419 0.360 0.857 0.429 CB 1.292 8 residues pruned to eliminate duplicates Z: 24 29.992 2.175 0.779 0.539 0.870 0.696 CB 1.788 24 residues pruned to eliminate duplicates Z: 10 19.290 2.123 0.751 0.620 0.889 0.444 CA 1.738 10 residues pruned to eliminate duplicates Z: 14 25.626 2.047 1.166 0.802 0.846 0.769 CB 1.455 14 residues pruned to eliminate duplicates Z: 7 4.573 1.614 0.818 0.348 0.667 0.333 CB 1.126 7 residues pruned to eliminate duplicates Z: 14 5.380 1.610 0.352 0.194 0.769 0.231 O 1.283 24 residues pruned to eliminate duplicates Z: 7 8.430 1.723 0.341 0.841 1.000 0.333 CB 1.111 7 residues pruned to eliminate duplicates Z: 55 40.598 2.266 0.849 0.490 0.870 0.537 CB 1.531 55 residues pruned to eliminate duplicates Z: 28 30.286 2.140 0.900 0.589 0.889 0.593 CB 1.481 27 residues pruned to eliminate duplicates Z: 27 30.657 2.353 1.183 0.439 0.846 0.462 CB 1.473 27 residues pruned to eliminate duplicates Z: 6 15.447 2.111 1.101 0.663 1.000 0.800 CB 1.340 6 residues pruned to eliminate duplicates Z: 13 12.722 2.094 0.736 0.464 0.750 0.583 CB 1.397 13 residues pruned to eliminate duplicates Z: 8 13.940 1.973 0.402 0.837 1.000 0.571 CA 1.424 8 residues pruned to eliminate duplicates Z: 8 12.317 1.990 0.235 0.888 0.857 0.714 CB 1.592 8 residues pruned to eliminate duplicates Z: 6 3.214 1.715 0.475 0.406 0.600 0.400 N 1.045 Z: 58 40.666 2.338 0.832 0.427 0.842 0.526 CB 1.610 58 residues pruned to eliminate duplicates Z: 7 9.758 2.511 0.300 0.401 0.833 0.667 CA 1.624 7 residues pruned to eliminate duplicates Z: 36 50.700 2.326 1.153 0.579 0.943 0.514 CB 1.683 36 residues pruned to eliminate duplicates Z: 6 3.849 1.222 1.039 0.699 0.800 0.400 N 0.720 6 residues pruned to eliminate duplicates Z: 57 53.845 2.311 1.108 0.528 0.875 0.571 CB 1.642 57 residues pruned to eliminate duplicates Z: 17 8.902 1.799 0.713 0.301 0.875 0.375 CB 1.031 17 residues pruned to eliminate duplicates Z: 16 26.879 2.109 1.073 0.806 0.800 0.600 CA 1.520 16 residues pruned to eliminate duplicates Z: 31 21.699 2.015 0.532 0.473 0.867 0.467 CB 1.522 31 residues pruned to eliminate duplicates Z: 9 9.916 1.915 0.646 0.340 0.875 0.375 CB 1.512 9 residues pruned to eliminate duplicates Z: 17 14.565 2.290 0.645 0.376 0.875 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 10 12.230 1.868 0.606 0.639 1.000 0.667 CB 1.193 Z: 9 11.461 2.002 0.649 0.489 0.875 0.875 CB 1.417 9 residues pruned to eliminate duplicates Z: 8 8.652 1.740 0.724 0.625 1.000 0.714 CB 0.969 Z: 7 6.489 1.990 0.502 0.581 0.667 0.667 CB 1.230 7 residues pruned to eliminate duplicates Z: 43 42.523 2.430 0.807 0.537 0.905 0.690 CB 1.593 43 residues pruned to eliminate duplicates Z: 82 63.115 2.302 1.003 0.516 0.901 0.531 CB 1.662 82 residues pruned to eliminate duplicates Z: 8 13.996 1.839 0.912 0.879 0.714 0.571 O 1.528 8 residues pruned to eliminate duplicates Z: 7 11.249 1.784 0.453 0.658 1.000 0.667 N 1.531 7 residues pruned to eliminate duplicates Z: 16 29.387 2.143 0.834 0.904 1.000 0.733 CA 1.375 16 residues pruned to eliminate duplicates Z: 11 16.015 2.119 0.728 0.611 0.800 0.600 CB 1.557 11 residues pruned to eliminate duplicates Z: 6 4.687 1.936 0.249 0.476 0.800 0.400 CB 1.110 Z: 9 6.816 2.049 0.575 0.232 0.875 0.500 CB 1.166 9 residues pruned to eliminate duplicates Z: 12 10.039 1.865 0.671 0.311 0.818 0.364 CB 1.465 12 residues pruned to eliminate duplicates Z: 27 39.492 2.435 0.997 0.562 0.846 0.538 CB 1.773 27 residues pruned to eliminate duplicates Z: 12 30.184 2.340 1.121 0.822 0.818 0.364 CB 1.695 12 residues pruned to eliminate duplicates 6 1.671 1.651 0.205 0.393 0.600 0.400 CB 0.701 ? Z: 10 6.640 1.812 0.259 0.513 1.000 0.667 CB 0.958 Z: 8 3.002 1.599 0.145 0.482 1.000 0.429 CB 0.631 Z: 24 20.416 2.263 0.609 0.468 0.870 0.478 CB 1.389 24 residues pruned to eliminate duplicates Z: 7 3.862 1.844 0.807 0.270 0.500 0.333 N 1.229 7 residues pruned to eliminate duplicates Z: 9 15.628 2.156 0.665 0.647 0.875 0.500 CA 1.535 9 residues pruned to eliminate duplicates Z: 49 49.738 2.378 1.033 0.517 0.854 0.542 CB 1.709 49 residues pruned to eliminate duplicates Z: 6 10.613 1.917 1.224 0.698 0.800 0.800 CB 1.161 6 residues pruned to eliminate duplicates Z: 10 5.568 1.895 0.582 0.293 0.778 0.444 CB 1.005 Z: 19 19.612 2.221 0.496 0.369 0.944 0.389 CB 1.696 19 residues pruned to eliminate duplicates Z: 28 36.699 2.323 0.905 0.551 0.889 0.444 CB 1.708 28 residues pruned to eliminate duplicates Z: 15 33.326 2.271 0.909 0.903 1.000 0.929 CA 1.465 15 residues pruned to eliminate duplicates Z: 6 4.975 1.664 0.562 0.294 1.000 0.400 CB 1.079 6 residues pruned to eliminate duplicates Z: 19 17.337 2.218 0.556 0.460 0.833 0.500 CB 1.480 19 residues pruned to eliminate duplicates Z: 65 51.464 2.214 0.927 0.487 0.922 0.500 CB 1.657 65 residues pruned to eliminate duplicates Z: 13 24.012 1.966 0.582 0.907 1.000 0.833 CA 1.584 13 residues pruned to eliminate duplicates Z: 15 28.231 2.352 1.024 0.482 0.929 0.500 CA 1.737 15 residues pruned to eliminate duplicates Z: 6 12.854 2.102 0.549 0.847 1.000 1.000 CB 1.311 Z: 6 5.482 1.795 0.098 0.293 1.000 0.400 CA 1.569 Z: 38 41.635 2.344 1.106 0.461 0.892 0.595 CB 1.617 38 residues pruned to eliminate duplicates Z: 10 6.088 1.693 0.478 0.455 0.889 0.556 CB 0.955 Z: 10 17.383 1.816 0.965 0.810 0.889 0.667 CB 1.395 13 residues pruned to eliminate duplicates Z: 15 20.098 1.958 0.917 0.585 0.929 0.571 CB 1.421 15 residues pruned to eliminate duplicates Z: 18 21.072 2.231 0.932 0.428 0.765 0.353 CB 1.670 18 residues pruned to eliminate duplicates Z: 10 5.532 1.857 0.341 0.242 0.889 0.333 CA 1.123 10 residues pruned to eliminate duplicates Z: 17 11.351 1.867 0.461 0.325 0.875 0.500 CA 1.440 17 residues pruned to eliminate duplicates Z: 41 25.492 2.134 0.688 0.525 0.775 0.425 CB 1.408 41 residues pruned to eliminate duplicates Z: 43 45.635 2.359 0.871 0.488 0.952 0.524 CB 1.696 43 residues pruned to eliminate duplicates Z: 51 46.834 2.311 0.985 0.482 0.880 0.580 CB 1.671 51 residues pruned to eliminate duplicates Z: 12 22.816 2.334 0.616 0.823 0.909 0.636 CA 1.517 12 residues pruned to eliminate duplicates Z: 6 3.604 1.831 0.483 0.296 0.600 0.400 CB 1.242 Z: 7 5.907 1.848 0.592 0.243 0.833 0.333 CB 1.324 7 residues pruned to eliminate duplicates Z: 11 9.972 2.086 0.377 0.386 0.900 0.500 CB 1.377 11 residues pruned to eliminate duplicates Z: 13 5.979 1.827 0.406 0.290 0.667 0.333 N 1.275 Z: 6 2.421 2.001 0.401 0.483 1.000 0.600 CB 0.393 6 residues pruned to eliminate duplicates Z: 9 7.558 1.694 0.143 0.508 1.000 0.500 CB 1.369 7 residues pruned to eliminate duplicates Z: 17 36.725 2.259 0.953 0.827 0.938 0.750 CB 1.672 17 residues pruned to eliminate duplicates Z: 23 17.358 1.947 0.757 0.424 0.909 0.455 CB 1.287 23 residues pruned to eliminate duplicates Z: 27 39.902 2.452 0.920 0.585 0.846 0.269 CB 1.811 27 residues pruned to eliminate duplicates Z: 13 15.548 2.132 0.697 0.501 0.917 0.833 CB 1.352 13 residues pruned to eliminate duplicates Z: 53 42.935 2.254 0.915 0.526 0.865 0.519 CB 1.553 53 residues pruned to eliminate duplicates Z: 9 7.063 1.708 0.547 0.500 0.875 0.625 CB 1.080 Z: 30 36.125 2.301 0.816 0.582 0.931 0.621 CB 1.594 30 residues pruned to eliminate duplicates Z: 12 33.132 2.395 0.839 0.871 1.000 0.727 CA 1.654 12 residues pruned to eliminate duplicates Z: 10 15.192 2.212 0.534 0.459 1.000 0.889 CB 1.556 10 residues pruned to eliminate duplicates Z: 63 55.312 2.297 0.983 0.535 0.935 0.581 CB 1.592 63 residues pruned to eliminate duplicates Z: 10 5.911 2.087 0.296 0.200 0.778 0.444 CB 1.338 10 residues pruned to eliminate duplicates 6 1.742 2.105 -0.029 0.239 0.600 0.200 CB 0.860 ? Z: 22 32.855 2.282 0.873 0.541 0.905 0.619 CB 1.780 41 residues pruned to eliminate duplicates Z: 21 16.991 1.919 0.861 0.488 0.950 0.550 CB 1.134 21 residues pruned to eliminate duplicates Z: 33 32.621 2.283 1.134 0.447 0.812 0.500 CB 1.539 33 residues pruned to eliminate duplicates Z: 22 32.155 2.202 0.999 0.624 0.905 0.667 CB 1.567 22 residues pruned to eliminate duplicates Z: 12 11.516 2.183 0.500 0.472 0.909 0.545 CB 1.200 12 residues pruned to eliminate duplicates Z: 6 5.350 1.678 0.324 0.335 1.000 0.800 O 1.290 Z: 10 7.434 1.745 0.587 0.310 0.778 0.333 C 1.420 10 residues pruned to eliminate duplicates Z: 13 18.508 1.996 0.938 0.867 0.833 0.750 CA 1.213 13 residues pruned to eliminate duplicates Z: 9 7.680 1.772 0.153 0.585 0.875 0.500 O 1.400 4 residues pruned to eliminate duplicates Z: 9 3.591 1.504 0.524 0.292 0.625 0.250 C 1.119 Z: 19 10.124 1.999 0.758 0.317 0.667 0.278 CB 1.246 19 residues pruned to eliminate duplicates Z: 16 43.799 2.484 1.025 0.872 0.933 0.800 CA 1.756 16 residues pruned to eliminate duplicates Z: 10 12.861 2.135 0.609 0.445 0.889 0.556 CB 1.487 10 residues pruned to eliminate duplicates Z: 7 5.809 1.617 0.593 0.444 0.833 0.667 CB 1.171 Z: 6 5.740 1.573 0.649 0.533 1.000 0.200 C 0.957 6 residues pruned to eliminate duplicates Z: 14 20.462 2.236 0.712 0.844 0.846 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 9 12.025 1.877 0.814 0.458 1.000 0.750 CB 1.304 Z: 6 7.542 1.459 1.051 0.780 0.800 0.800 CA 1.101 6 residues pruned to eliminate duplicates Z: 8 12.098 1.846 0.736 0.870 0.714 0.571 CA 1.459 8 residues pruned to eliminate duplicates Z: 25 20.396 2.283 0.654 0.382 0.917 0.625 CB 1.363 25 residues pruned to eliminate duplicates Z: 8 4.482 1.720 0.288 0.424 0.714 0.571 CA 1.158 Z: 62 48.262 2.352 0.890 0.457 0.869 0.475 CB 1.671 62 residues pruned to eliminate duplicates Z: 19 17.479 2.235 0.716 0.411 0.833 0.556 CB 1.415 19 residues pruned to eliminate duplicates Z: 17 30.001 2.247 1.093 0.546 0.938 0.688 CA 1.627 17 residues pruned to eliminate duplicates Z: 92 73.965 2.304 1.108 0.556 0.923 0.473 CB 1.638 92 residues pruned to eliminate duplicates Z: 80 60.133 2.358 1.004 0.491 0.873 0.544 CB 1.653 80 residues pruned to eliminate duplicates Z: 18 32.208 2.149 1.228 0.847 0.882 0.294 CB 1.373 18 residues pruned to eliminate duplicates Z: 9 3.279 1.689 -0.213 0.340 0.750 0.500 CB 1.384 9 residues pruned to eliminate duplicates Z: 8 10.385 1.926 0.540 0.738 0.857 0.714 CB 1.247 8 residues pruned to eliminate duplicates Z: 20 19.605 2.122 0.559 0.540 0.842 0.579 CB 1.553 20 residues pruned to eliminate duplicates Z: 76 60.290 2.335 1.041 0.468 0.880 0.547 CB 1.716 76 residues pruned to eliminate duplicates Z: 45 59.775 2.372 1.165 0.629 0.909 0.614 CB 1.710 45 residues pruned to eliminate duplicates Z: 6 3.215 1.606 0.394 0.355 0.800 0.600 CA 0.938 Z: 50 46.301 2.428 0.855 0.496 0.857 0.653 CB 1.720 50 residues pruned to eliminate duplicates Z: 14 9.207 1.790 0.679 0.442 0.769 0.538 CB 1.173 Z: 86 44.510 2.216 0.890 0.419 0.788 0.482 CB 1.591 86 residues pruned to eliminate duplicates Z: 6 2.633 1.471 0.833 0.443 0.600 0.400 C 0.772 Z: 10 5.027 1.657 0.479 0.163 0.778 0.556 CA 1.326 10 residues pruned to eliminate duplicates Z: 15 22.737 2.121 0.483 0.902 1.000 0.786 CA 1.378 15 residues pruned to eliminate duplicates Z: 7 4.246 1.660 0.482 0.371 0.667 0.500 N 1.214 Z: 9 6.199 1.721 0.356 0.311 0.750 0.375 N 1.545 9 residues pruned to eliminate duplicates Z: 7 6.782 1.765 0.093 0.716 1.000 0.833 CB 1.180 7 residues pruned to eliminate duplicates Z: 17 33.083 2.216 1.347 0.574 0.938 0.562 CB 1.579 17 residues pruned to eliminate duplicates Z: 8 4.001 1.715 0.419 0.476 0.857 0.571 CB 0.742 8 residues pruned to eliminate duplicates Z: 37 36.407 2.136 0.757 0.568 0.917 0.611 CB 1.652 37 residues pruned to eliminate duplicates Z: 62 46.667 2.274 0.835 0.494 0.902 0.541 CB 1.598 62 residues pruned to eliminate duplicates Z: 35 37.693 2.257 0.822 0.589 0.941 0.735 CB 1.534 35 residues pruned to eliminate duplicates Z: 8 6.967 1.750 0.553 0.400 0.857 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 28 33.419 2.349 0.879 0.448 0.889 0.593 CB 1.728 28 residues pruned to eliminate duplicates Z: 10 16.378 1.867 0.767 0.865 1.000 0.667 CB 1.212 10 residues pruned to eliminate duplicates Z: 20 17.563 2.109 0.849 0.385 0.737 0.579 CB 1.584 20 residues pruned to eliminate duplicates Z: 6 3.937 1.221 0.430 0.830 1.000 0.600 O 0.758 Z: 11 10.109 2.023 0.166 0.566 0.900 0.800 CB 1.413 12 residues pruned to eliminate duplicates Z: 7 10.972 1.754 1.039 0.563 0.833 0.667 CA 1.413 7 residues pruned to eliminate duplicates Z: 7 5.135 1.925 0.316 0.294 0.833 0.333 CA 1.251 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 9 16.035 2.100 0.576 0.671 1.000 0.750 CB 1.463 Z: 11 6.816 1.494 1.020 0.492 0.800 0.600 N 0.900 11 residues pruned to eliminate duplicates Z: 38 29.515 2.220 0.896 0.433 0.919 0.568 CB 1.345 48 residues pruned to eliminate duplicates Z: 6 6.669 2.020 0.814 0.245 1.000 0.600 CA 1.093 6 residues pruned to eliminate duplicates Z: 25 32.618 2.253 0.974 0.495 0.917 0.583 CB 1.642 25 residues pruned to eliminate duplicates Z: 29 27.003 2.259 0.880 0.369 0.857 0.464 CB 1.614 29 residues pruned to eliminate duplicates Z: 31 27.075 2.219 0.916 0.388 0.833 0.433 CB 1.571 31 residues pruned to eliminate duplicates Z: 26 30.646 2.249 0.998 0.492 0.880 0.560 CB 1.562 26 residues pruned to eliminate duplicates Z: 61 58.941 2.367 0.956 0.479 0.933 0.583 CB 1.799 61 residues pruned to eliminate duplicates Z: 24 34.652 2.360 1.022 0.502 0.870 0.565 CB 1.737 24 residues pruned to eliminate duplicates Z: 25 27.056 2.198 1.017 0.443 0.875 0.542 CB 1.509 25 residues pruned to eliminate duplicates Z: 20 21.599 2.274 0.837 0.429 0.737 0.526 CA 1.732 20 residues pruned to eliminate duplicates Z: 86 62.051 2.369 0.924 0.481 0.906 0.529 CB 1.662 86 residues pruned to eliminate duplicates Z: 27 29.889 2.228 1.076 0.416 0.846 0.462 CB 1.635 27 residues pruned to eliminate duplicates Z: 22 31.556 2.236 0.976 0.527 0.952 0.714 CB 1.593 22 residues pruned to eliminate duplicates Z: 27 31.558 2.273 1.005 0.490 0.846 0.615 CB 1.620 27 residues pruned to eliminate duplicates Z: 27 31.350 2.349 0.938 0.491 0.846 0.654 CB 1.610 27 residues pruned to eliminate duplicates Z: 29 30.595 2.305 1.108 0.458 0.821 0.536 CB 1.512 29 residues pruned to eliminate duplicates Z: 22 37.625 2.354 1.067 0.564 0.905 0.667 CB 1.753 22 residues pruned to eliminate duplicates Z: 46 49.259 2.423 0.985 0.518 0.867 0.511 CB 1.731 46 residues pruned to eliminate duplicates Z: 23 37.074 2.323 1.213 0.532 0.864 0.636 CB 1.725 23 residues pruned to eliminate duplicates Z: 112 71.787 2.356 0.946 0.513 0.883 0.604 CB 1.662 112 residues pruned to eliminate duplicates Z: 44 44.980 2.328 0.970 0.449 0.930 0.535 CB 1.695 44 residues pruned to eliminate duplicates Z: 101 67.372 2.355 0.937 0.498 0.840 0.480 CB 1.762 101 residues pruned to eliminate duplicates Z: 106 77.721 2.361 0.994 0.494 0.943 0.610 CB 1.719 106 residues pruned to eliminate duplicates Z: 44 50.559 2.351 1.062 0.510 0.977 0.558 CB 1.612 44 residues pruned to eliminate duplicates Z: 68 60.132 2.366 1.034 0.486 0.896 0.478 CB 1.728 68 residues pruned to eliminate duplicates Z: 39 52.768 2.445 1.112 0.589 0.921 0.605 CB 1.653 39 residues pruned to eliminate duplicates Z: 92 73.156 2.347 0.979 0.528 0.934 0.615 CB 1.720 92 residues pruned to eliminate duplicates Z: 76 54.798 2.293 1.002 0.474 0.840 0.507 CB 1.686 90 residues pruned to eliminate duplicates Z: 33 45.751 2.347 1.254 0.543 0.906 0.594 CB 1.618 33 residues pruned to eliminate duplicates Z: 37 48.049 2.407 1.034 0.537 0.889 0.583 CB 1.774 37 residues pruned to eliminate duplicates Z: 65 61.481 2.366 1.097 0.536 0.922 0.562 CB 1.622 65 residues pruned to eliminate duplicates Z: 66 57.452 2.372 1.091 0.487 0.831 0.431 CB 1.753 66 residues pruned to eliminate duplicates Z: 89 65.562 2.357 0.968 0.490 0.886 0.636 CB 1.717 89 residues pruned to eliminate duplicates Z: 109 81.252 2.373 0.984 0.534 0.926 0.537 CB 1.735 109 residues pruned to eliminate duplicates Z: 92 70.285 2.373 0.961 0.517 0.901 0.505 CB 1.728 92 residues pruned to eliminate duplicates Z: 43 51.218 2.399 1.049 0.479 0.952 0.619 CB 1.725 43 residues pruned to eliminate duplicates Z: 90 61.610 2.363 0.817 0.507 0.888 0.517 CB 1.701 90 residues pruned to eliminate duplicates Z: 89 66.548 2.352 0.904 0.552 0.898 0.523 CB 1.677 89 residues pruned to eliminate duplicates Z: 45 52.320 2.331 1.042 0.537 0.955 0.614 CB 1.675 45 residues pruned to eliminate duplicates Z: 22 32.232 2.260 1.074 0.426 0.952 0.524 CB 1.701 22 residues pruned to eliminate duplicates Z: 36 52.397 2.379 1.125 0.554 0.971 0.486 CB 1.710 36 residues pruned to eliminate duplicates Z: 73 57.695 2.368 0.956 0.473 0.903 0.528 CB 1.671 73 residues pruned to eliminate duplicates Z: 69 66.298 2.358 0.976 0.525 0.941 0.529 CB 1.788 69 residues pruned to eliminate duplicates Z: 111 71.014 2.343 0.932 0.504 0.891 0.609 CB 1.672 111 residues pruned to eliminate duplicates Z: 44 51.393 2.350 1.202 0.483 0.953 0.558 CB 1.616 44 residues pruned to eliminate duplicates Z: 86 60.017 2.340 1.018 0.512 0.847 0.541 CB 1.608 86 residues pruned to eliminate duplicates Z: 46 53.106 2.316 1.178 0.515 0.933 0.444 CB 1.656 46 residues pruned to eliminate duplicates Z: 45 50.154 2.313 1.083 0.513 0.909 0.523 CB 1.704 45 residues pruned to eliminate duplicates Z: 73 58.299 2.341 1.064 0.471 0.875 0.500 CB 1.674 73 residues pruned to eliminate duplicates Z: 67 56.210 2.330 0.936 0.484 0.894 0.500 CB 1.744 67 residues pruned to eliminate duplicates Z: 82 76.455 2.387 0.998 0.554 0.951 0.580 CB 1.777 82 residues pruned to eliminate duplicates Z: 88 66.556 2.356 0.989 0.535 0.862 0.552 CB 1.707 88 residues pruned to eliminate duplicates Z: 71 57.861 2.349 1.098 0.492 0.857 0.629 CB 1.650 71 residues pruned to eliminate duplicates Z: 88 70.108 2.372 1.017 0.531 0.908 0.494 CB 1.678 88 residues pruned to eliminate duplicates Z: 102 82.016 2.363 1.044 0.535 0.941 0.525 CB 1.735 102 residues pruned to eliminate duplicates Z: 84 76.885 2.385 1.048 0.572 0.940 0.578 CB 1.715 84 residues pruned to eliminate duplicates Z: 52 59.008 2.363 1.011 0.569 0.902 0.647 CB 1.803 52 residues pruned to eliminate duplicates Z: 51 57.594 2.390 0.975 0.547 0.900 0.520 CB 1.831 51 residues pruned to eliminate duplicates Z: 92 73.009 2.337 1.117 0.501 0.901 0.505 CB 1.715 92 residues pruned to eliminate duplicates Z: 84 63.962 2.329 0.986 0.471 0.904 0.422 CB 1.731 84 residues pruned to eliminate duplicates Z: 90 68.505 2.350 1.010 0.487 0.921 0.528 CB 1.690 90 residues pruned to eliminate duplicates Z: 86 74.150 2.359 1.071 0.539 0.929 0.541 CB 1.704 86 residues pruned to eliminate duplicates Z: 50 63.185 2.424 1.091 0.604 0.898 0.653 CB 1.797 50 residues pruned to eliminate duplicates Z: 51 61.849 2.386 0.943 0.604 0.940 0.640 CA 1.818 51 residues pruned to eliminate duplicates Z: 86 64.930 2.339 1.062 0.509 0.847 0.506 CB 1.709 86 residues pruned to eliminate duplicates Z: 50 44.841 2.267 1.110 0.442 0.878 0.490 CB 1.619 50 residues pruned to eliminate duplicates Z: 51 59.943 2.389 1.047 0.590 0.900 0.620 CB 1.768 51 residues pruned to eliminate duplicates Z: 55 60.512 2.338 1.077 0.582 0.963 0.648 CB 1.628 55 residues pruned to eliminate duplicates Z: 46 58.743 2.402 1.216 0.494 0.933 0.556 CB 1.774 46 residues pruned to eliminate duplicates Z: 29 44.410 2.353 1.169 0.524 0.893 0.607 CA 1.798 29 residues pruned to eliminate duplicates Z: 107 79.263 2.372 1.092 0.533 0.906 0.575 CB 1.659 107 residues pruned to eliminate duplicates Z: 83 81.435 2.408 1.118 0.564 0.939 0.610 CB 1.766 83 residues pruned to eliminate duplicates Z: 111 91.890 2.398 1.109 0.545 0.955 0.582 CB 1.737 123 residues pruned to eliminate duplicates Z: 13 31.523 2.275 0.837 0.720 0.917 0.583 CB 1.947 13 residues pruned to eliminate duplicates Z: 81 78.474 2.376 1.118 0.546 0.925 0.538 CB 1.801 81 residues pruned to eliminate duplicates Z: 111 87.042 2.382 1.024 0.541 0.945 0.591 CB 1.748 111 residues pruned to eliminate duplicates Z: 63 56.667 2.295 1.131 0.430 0.871 0.516 CB 1.817 63 residues pruned to eliminate duplicates Z: 51 64.361 2.386 0.990 0.615 0.960 0.640 CB 1.791 51 residues pruned to eliminate duplicates Z: 55 60.069 2.322 1.020 0.559 0.944 0.593 CA 1.743 55 residues pruned to eliminate duplicates Z: 50 61.310 2.404 0.942 0.618 0.939 0.714 CA 1.787 50 residues pruned to eliminate duplicates Z: 51 64.171 2.373 1.109 0.601 0.920 0.740 CB 1.791 51 residues pruned to eliminate duplicates Z: 110 82.773 2.363 1.065 0.546 0.927 0.633 CB 1.676 110 residues pruned to eliminate duplicates Z: 50 66.658 2.417 1.085 0.605 0.939 0.653 CA 1.821 50 residues pruned to eliminate duplicates Z: 67 64.755 2.343 1.053 0.537 0.909 0.591 CB 1.759 67 residues pruned to eliminate duplicates Z: 68 61.681 2.330 0.953 0.556 0.940 0.612 CB 1.668 68 residues pruned to eliminate duplicates Z: 79 79.898 2.408 1.034 0.588 0.949 0.654 CB 1.789 79 residues pruned to eliminate duplicates Z: 51 67.696 2.412 1.138 0.604 0.940 0.620 CB 1.789 51 residues pruned to eliminate duplicates Z: 67 64.024 2.329 1.029 0.528 0.909 0.606 CB 1.785 67 residues pruned to eliminate duplicates Z: 93 87.170 2.356 1.174 0.563 0.957 0.598 CB 1.745 93 residues pruned to eliminate duplicates Z: 114 76.238 2.312 1.087 0.509 0.894 0.504 CB 1.649 114 residues pruned to eliminate duplicates Z: 50 62.364 2.375 1.072 0.596 0.939 0.612 CB 1.759 50 residues pruned to eliminate duplicates Z: 69 67.877 2.356 1.192 0.529 0.882 0.588 CB 1.756 69 residues pruned to eliminate duplicates Z: 49 61.985 2.372 1.089 0.599 0.938 0.646 CB 1.753 49 residues pruned to eliminate duplicates Z: 24 49.546 2.364 1.161 0.692 0.957 0.739 CB 1.773 24 residues pruned to eliminate duplicates Z: 28 43.653 2.382 1.086 0.601 0.889 0.704 CB 1.728 28 residues pruned to eliminate duplicates Z: 51 64.928 2.398 1.159 0.599 0.920 0.560 CA 1.755 51 residues pruned to eliminate duplicates Z: 114 85.844 2.362 1.147 0.543 0.912 0.593 CB 1.675 114 residues pruned to eliminate duplicates Z: 28 37.549 2.308 1.118 0.581 0.889 0.704 CB 1.539 28 residues pruned to eliminate duplicates Z: 53 58.549 2.349 1.139 0.577 0.865 0.654 CB 1.734 53 residues pruned to eliminate duplicates Z: 51 57.511 2.385 0.978 0.603 0.900 0.660 CB 1.737 51 residues pruned to eliminate duplicates Z: 85 78.675 2.362 1.113 0.568 0.940 0.607 CB 1.711 85 residues pruned to eliminate duplicates Z: 24 45.198 2.327 1.087 0.665 0.913 0.739 CA 1.825 24 residues pruned to eliminate duplicates Z: 41 42.119 2.277 0.942 0.513 0.900 0.575 CB 1.653 41 residues pruned to eliminate duplicates Z: 22 15.203 2.052 0.634 0.367 0.810 0.333 CB 1.410 22 residues pruned to eliminate duplicates Z: 29 20.729 2.156 0.668 0.378 0.857 0.429 CB 1.448 29 residues pruned to eliminate duplicates Z: 10 9.259 2.118 0.577 0.397 0.778 0.444 CA 1.325 10 residues pruned to eliminate duplicates Z: 15 17.006 2.272 0.565 0.469 0.857 0.429 CB 1.538 15 residues pruned to eliminate duplicates Z: 24 19.493 2.156 0.763 0.308 0.913 0.391 CB 1.449 24 residues pruned to eliminate duplicates Z: 38 26.196 2.175 0.629 0.463 0.865 0.568 CB 1.460 38 residues pruned to eliminate duplicates Z: 16 17.127 2.163 0.872 0.372 0.867 0.467 CB 1.445 16 residues pruned to eliminate duplicates Z: 27 22.437 2.232 0.784 0.330 0.808 0.500 CB 1.650 15 residues pruned to eliminate duplicates Z: 9 9.618 1.930 0.709 0.537 0.750 0.500 CB 1.326 9 residues pruned to eliminate duplicates Z: 60 43.739 2.354 0.829 0.496 0.847 0.644 CB 1.566 71 residues pruned to eliminate duplicates Z: 6 6.440 1.914 0.702 0.460 0.800 0.400 CA 1.151 6 residues pruned to eliminate duplicates Z: 16 19.852 2.294 0.750 0.423 0.867 0.333 CB 1.596 16 residues pruned to eliminate duplicates Z: 61 44.491 2.353 0.841 0.466 0.900 0.517 CB 1.526 61 residues pruned to eliminate duplicates Z: 7 5.544 1.517 0.663 0.457 0.833 0.500 CA 1.125 7 residues pruned to eliminate duplicates Z: 195 88.114 2.304 1.025 0.497 0.876 0.495 CB 1.552 202 residues pruned to eliminate duplicates Z: 14 20.548 2.176 0.593 0.790 0.846 0.769 CA 1.507 14 residues pruned to eliminate duplicates Z: 45 43.439 2.463 0.805 0.530 0.932 0.682 CB 1.535 45 residues pruned to eliminate duplicates Z: 45 45.290 2.437 0.810 0.521 0.932 0.636 CB 1.628 45 residues pruned to eliminate duplicates Z: 27 41.873 2.361 0.820 0.677 0.962 0.615 CB 1.689 27 residues pruned to eliminate duplicates Z: 42 41.504 2.481 0.675 0.526 0.927 0.512 CB 1.640 42 residues pruned to eliminate duplicates Z: 40 37.731 2.400 0.865 0.465 0.923 0.590 CB 1.516 40 residues pruned to eliminate duplicates Z: 45 42.578 2.437 0.834 0.519 0.909 0.614 CB 1.550 45 residues pruned to eliminate duplicates Z: 21 23.672 2.118 0.999 0.463 0.950 0.400 CB 1.367 21 residues pruned to eliminate duplicates Z: 13 36.006 2.427 1.057 0.690 1.000 0.250 CA 1.750 13 residues pruned to eliminate duplicates Z: 47 39.094 2.213 0.805 0.505 0.913 0.478 CB 1.572 47 residues pruned to eliminate duplicates Z: 47 33.335 2.373 0.700 0.488 0.826 0.565 CB 1.492 47 residues pruned to eliminate duplicates Z: 44 46.531 2.441 0.907 0.551 0.907 0.651 CB 1.599 44 residues pruned to eliminate duplicates Z: 43 46.507 2.477 0.888 0.524 0.929 0.643 CB 1.614 43 residues pruned to eliminate duplicates Z: 59 40.381 2.373 0.749 0.465 0.879 0.586 CB 1.505 59 residues pruned to eliminate duplicates Z: 32 27.070 2.414 0.571 0.482 0.839 0.581 CB 1.556 32 residues pruned to eliminate duplicates Z: 43 42.889 2.508 0.775 0.509 0.905 0.619 CB 1.629 43 residues pruned to eliminate duplicates Z: 42 49.045 2.507 0.989 0.514 0.927 0.610 CB 1.634 42 residues pruned to eliminate duplicates Z: 44 45.942 2.480 0.871 0.525 0.907 0.605 CB 1.625 45 residues pruned to eliminate duplicates Z: 12 38.527 2.432 1.455 0.883 0.909 0.545 CB 1.547 12 residues pruned to eliminate duplicates Z: 43 42.996 2.476 0.897 0.500 0.881 0.619 CB 1.603 43 residues pruned to eliminate duplicates Z: 42 46.925 2.511 0.988 0.515 0.878 0.561 CB 1.646 42 residues pruned to eliminate duplicates Z: 45 47.006 2.442 1.048 0.511 0.909 0.523 CB 1.542 45 residues pruned to eliminate duplicates Z: 26 28.254 2.344 1.017 0.473 0.880 0.320 CB 1.396 26 residues pruned to eliminate duplicates Z: 62 48.542 2.398 0.999 0.471 0.902 0.426 CB 1.481 62 residues pruned to eliminate duplicates Z: 31 38.012 2.474 1.046 0.507 0.900 0.500 CB 1.513 31 residues pruned to eliminate duplicates Z: 45 51.984 2.455 1.174 0.505 0.909 0.568 CB 1.608 44 residues pruned to eliminate duplicates Z: 7 8.290 2.095 0.591 0.436 0.833 0.667 CA 1.301 7 residues pruned to eliminate duplicates Z: 23 19.171 2.314 0.631 0.378 0.909 0.409 CB 1.357 23 residues pruned to eliminate duplicates Z: 42 50.053 2.504 0.961 0.543 0.927 0.585 CB 1.647 42 residues pruned to eliminate duplicates Z: 44 51.096 2.477 1.082 0.539 0.907 0.442 CB 1.604 44 residues pruned to eliminate duplicates Z: 42 43.646 2.452 0.863 0.528 0.927 0.537 CB 1.566 43 residues pruned to eliminate duplicates Z: 7 7.500 1.928 0.268 0.424 1.000 0.500 N 1.356 7 residues pruned to eliminate duplicates Z: 43 48.366 2.492 0.980 0.531 0.905 0.571 CB 1.621 43 residues pruned to eliminate duplicates Z: 45 44.402 2.410 1.015 0.485 0.864 0.545 CB 1.620 45 residues pruned to eliminate duplicates Z: 46 42.940 2.389 0.950 0.532 0.933 0.511 CB 1.426 46 residues pruned to eliminate duplicates Z: 32 41.543 2.481 1.212 0.496 0.871 0.548 CB 1.568 32 residues pruned to eliminate duplicates Z: 40 33.853 2.350 0.948 0.412 0.821 0.385 CB 1.582 40 residues pruned to eliminate duplicates Z: 28 38.731 2.548 1.024 0.555 0.926 0.519 CB 1.480 28 residues pruned to eliminate duplicates Z: 20 21.401 2.280 0.756 0.338 0.895 0.474 CB 1.636 20 residues pruned to eliminate duplicates Z: 42 42.288 2.434 0.948 0.516 0.854 0.488 CB 1.605 42 residues pruned to eliminate duplicates Z: 41 50.054 2.415 1.081 0.486 0.925 0.550 CB 1.727 41 residues pruned to eliminate duplicates Z: 29 36.800 2.497 0.969 0.519 0.929 0.607 CB 1.494 29 residues pruned to eliminate duplicates Z: 38 30.779 2.220 0.943 0.493 0.811 0.514 CB 1.457 38 residues pruned to eliminate duplicates Z: 40 34.497 2.234 0.974 0.442 0.897 0.538 CB 1.482 40 residues pruned to eliminate duplicates Z: 7 8.039 1.846 0.350 0.514 1.000 0.333 CB 1.299 7 residues pruned to eliminate duplicates Z: 18 23.188 2.186 1.032 0.495 0.941 0.588 CB 1.351 18 residues pruned to eliminate duplicates Z: 16 24.756 2.243 1.143 0.506 0.867 0.667 CB 1.526 16 residues pruned to eliminate duplicates Z: 38 35.756 2.227 0.920 0.518 0.919 0.568 CB 1.469 38 residues pruned to eliminate duplicates Z: 17 21.826 2.118 1.031 0.485 0.938 0.688 CB 1.373 17 residues pruned to eliminate duplicates Z: 6 3.511 1.423 1.246 0.414 0.800 0.600 N 0.672 6 residues pruned to eliminate duplicates Z: 75 46.310 2.304 0.921 0.450 0.838 0.486 CB 1.528 75 residues pruned to eliminate duplicates Z: 16 25.042 2.165 1.263 0.485 0.933 0.600 CB 1.435 16 residues pruned to eliminate duplicates Z: 6 9.948 2.223 0.878 0.389 0.800 0.400 N 1.498 6 residues pruned to eliminate duplicates Z: 17 25.167 2.260 1.162 0.531 0.938 0.625 CB 1.333 17 residues pruned to eliminate duplicates Z: 8 8.529 2.007 0.815 0.362 0.714 0.000 CA 1.438 8 residues pruned to eliminate duplicates Z: 37 38.538 2.241 1.047 0.488 0.944 0.667 CB 1.501 37 residues pruned to eliminate duplicates Z: 38 37.061 2.253 0.990 0.459 0.892 0.514 CB 1.589 38 residues pruned to eliminate duplicates Z: 7 4.338 1.818 0.356 0.266 0.833 0.500 CA 1.124 7 residues pruned to eliminate duplicates Z: 28 26.206 2.202 0.771 0.452 0.852 0.593 CB 1.594 28 residues pruned to eliminate duplicates Z: 37 32.008 2.175 0.876 0.465 0.889 0.611 CB 1.524 37 residues pruned to eliminate duplicates Z: 24 27.531 2.278 0.992 0.466 0.870 0.565 CB 1.506 24 residues pruned to eliminate duplicates Z: 27 23.640 2.237 0.862 0.401 0.808 0.500 CB 1.529 27 residues pruned to eliminate duplicates Z: 24 28.433 2.329 1.039 0.451 0.957 0.478 CB 1.372 24 residues pruned to eliminate duplicates Z: 63 60.082 2.429 1.022 0.464 0.903 0.597 CB 1.784 63 residues pruned to eliminate duplicates Z: 38 31.731 2.153 0.941 0.464 0.838 0.486 CB 1.545 38 residues pruned to eliminate duplicates Z: 31 22.669 2.146 0.867 0.442 0.900 0.400 CB 1.219 31 residues pruned to eliminate duplicates Z: 24 28.379 2.306 0.988 0.460 0.913 0.435 CB 1.472 24 residues pruned to eliminate duplicates Z: 81 58.041 2.418 0.912 0.510 0.838 0.525 CB 1.659 81 residues pruned to eliminate duplicates Z: 41 30.853 2.217 0.849 0.421 0.875 0.525 CB 1.477 41 residues pruned to eliminate duplicates Z: 6 3.501 1.434 0.834 0.303 1.000 0.000 CA 0.741 6 residues pruned to eliminate duplicates Z: 7 4.491 1.917 0.595 0.170 0.667 0.167 CA 1.342 7 residues pruned to eliminate duplicates Z: 9 4.619 1.662 0.651 0.096 0.750 0.125 CB 1.331 9 residues pruned to eliminate duplicates Z: 42 32.407 2.230 0.952 0.436 0.854 0.610 CB 1.455 42 residues pruned to eliminate duplicates Z: 59 50.073 2.407 0.900 0.466 0.879 0.569 CB 1.693 59 residues pruned to eliminate duplicates Z: 85 62.636 2.395 0.944 0.505 0.857 0.607 CB 1.704 85 residues pruned to eliminate duplicates Z: 45 49.930 2.459 0.923 0.506 0.909 0.614 CB 1.742 45 residues pruned to eliminate duplicates Z: 80 58.834 2.340 0.895 0.473 0.911 0.557 CB 1.682 80 residues pruned to eliminate duplicates Z: 66 54.115 2.382 0.950 0.511 0.846 0.538 CB 1.690 66 residues pruned to eliminate duplicates Z: 84 62.641 2.411 0.936 0.505 0.892 0.530 CB 1.645 84 residues pruned to eliminate duplicates Z: 57 53.952 2.442 0.879 0.506 0.893 0.554 CB 1.750 57 residues pruned to eliminate duplicates Z: 38 47.637 2.507 0.818 0.540 0.892 0.595 CB 1.853 38 residues pruned to eliminate duplicates Z: 94 60.770 2.336 0.863 0.493 0.871 0.516 CB 1.675 94 residues pruned to eliminate duplicates Z: 39 41.242 2.343 0.922 0.465 0.895 0.553 CB 1.721 39 residues pruned to eliminate duplicates Z: 51 60.564 2.534 0.937 0.545 0.900 0.580 CB 1.856 51 residues pruned to eliminate duplicates Z: 39 52.629 2.542 1.046 0.535 0.868 0.553 CB 1.826 39 residues pruned to eliminate duplicates Z: 38 46.685 2.411 1.065 0.534 0.865 0.676 CA 1.724 38 residues pruned to eliminate duplicates Z: 38 57.604 2.474 0.995 0.603 0.946 0.622 CB 1.839 38 residues pruned to eliminate duplicates Z: 47 62.380 2.536 1.045 0.548 0.891 0.609 CB 1.899 47 residues pruned to eliminate duplicates Z: 38 52.716 2.509 1.059 0.525 0.919 0.730 CB 1.781 38 residues pruned to eliminate duplicates Z: 119 70.350 2.289 0.851 0.521 0.898 0.551 CB 1.666 119 residues pruned to eliminate duplicates Z: 40 58.879 2.483 1.013 0.531 0.974 0.538 CB 1.877 40 residues pruned to eliminate duplicates Z: 61 58.782 2.417 0.944 0.486 0.900 0.517 CB 1.819 61 residues pruned to eliminate duplicates Z: 45 53.052 2.471 0.977 0.504 0.909 0.568 CB 1.793 45 residues pruned to eliminate duplicates Z: 84 55.787 2.236 0.882 0.498 0.855 0.614 CB 1.704 84 residues pruned to eliminate duplicates Z: 45 46.721 2.448 0.900 0.460 0.886 0.568 CB 1.780 45 residues pruned to eliminate duplicates Z: 45 59.775 2.457 1.123 0.536 0.932 0.614 CB 1.791 45 residues pruned to eliminate duplicates Z: 52 44.577 2.400 0.879 0.431 0.882 0.529 CB 1.685 52 residues pruned to eliminate duplicates Z: 40 53.701 2.441 1.043 0.534 0.949 0.667 CB 1.757 40 residues pruned to eliminate duplicates Z: 90 58.249 2.341 0.907 0.501 0.888 0.562 CB 1.557 90 residues pruned to eliminate duplicates Z: 84 55.810 2.244 0.837 0.500 0.904 0.542 CB 1.645 84 residues pruned to eliminate duplicates Z: 43 36.592 2.277 0.880 0.435 0.929 0.524 CB 1.520 43 residues pruned to eliminate duplicates Z: 41 46.547 2.337 1.061 0.487 0.875 0.475 CB 1.769 41 residues pruned to eliminate duplicates Z: 66 57.711 2.399 1.008 0.493 0.892 0.585 CB 1.676 66 residues pruned to eliminate duplicates Z: 27 22.917 2.189 0.961 0.403 0.808 0.462 CB 1.435 27 residues pruned to eliminate duplicates Z: 41 45.280 2.378 0.989 0.484 0.925 0.575 CB 1.663 41 residues pruned to eliminate duplicates Z: 21 37.301 2.468 1.246 0.443 0.950 0.650 CB 1.679 21 residues pruned to eliminate duplicates Z: 69 53.175 2.420 0.930 0.480 0.868 0.515 CB 1.623 69 residues pruned to eliminate duplicates Z: 26 27.687 2.359 1.052 0.417 0.800 0.520 CB 1.560 26 residues pruned to eliminate duplicates Z: 42 40.399 2.359 0.847 0.495 0.878 0.537 CB 1.658 42 residues pruned to eliminate duplicates Z: 55 57.334 2.451 1.026 0.493 0.889 0.556 CB 1.780 55 residues pruned to eliminate duplicates Z: 110 57.789 2.241 0.886 0.465 0.872 0.486 CB 1.558 110 residues pruned to eliminate duplicates Z: 64 55.141 2.385 0.942 0.493 0.905 0.540 CB 1.670 64 residues pruned to eliminate duplicates Z: 96 69.394 2.320 0.881 0.527 0.916 0.505 CB 1.734 96 residues pruned to eliminate duplicates Z: 55 59.151 2.414 1.018 0.497 0.926 0.556 CA 1.790 55 residues pruned to eliminate duplicates Z: 31 42.288 2.458 1.086 0.428 0.933 0.533 CB 1.739 31 residues pruned to eliminate duplicates Z: 88 59.807 2.317 0.854 0.478 0.920 0.448 CB 1.659 88 residues pruned to eliminate duplicates Z: 98 73.125 2.360 1.027 0.525 0.938 0.557 CB 1.614 97 residues pruned to eliminate duplicates Z: 13 23.158 2.253 1.062 0.606 0.750 0.583 CA 1.734 13 residues pruned to eliminate duplicates Z: 59 62.901 2.406 1.048 0.539 0.931 0.569 CB 1.733 59 residues pruned to eliminate duplicates Z: 97 64.400 2.339 0.960 0.484 0.927 0.573 CB 1.572 97 residues pruned to eliminate duplicates Z: 84 63.401 2.300 0.951 0.486 0.916 0.590 CB 1.718 84 residues pruned to eliminate duplicates Z: 28 27.341 2.122 0.776 0.494 0.852 0.556 CB 1.649 28 residues pruned to eliminate duplicates Z: 53 66.855 2.464 1.101 0.538 0.981 0.500 CB 1.759 53 residues pruned to eliminate duplicates Z: 61 58.856 2.418 0.960 0.535 0.900 0.517 CB 1.721 61 residues pruned to eliminate duplicates Z: 89 64.278 2.335 0.958 0.514 0.898 0.545 CB 1.646 89 residues pruned to eliminate duplicates Z: 118 73.640 2.311 1.005 0.509 0.880 0.632 CB 1.655 118 residues pruned to eliminate duplicates Z: 76 67.733 2.337 1.033 0.523 0.907 0.453 CB 1.774 76 residues pruned to eliminate duplicates Z: 135 75.828 2.269 0.995 0.516 0.903 0.604 CB 1.577 135 residues pruned to eliminate duplicates Z: 61 47.711 2.199 1.043 0.447 0.883 0.567 CB 1.638 61 residues pruned to eliminate duplicates Z: 57 62.853 2.447 1.039 0.571 0.893 0.571 CB 1.760 57 residues pruned to eliminate duplicates Z: 42 47.223 2.362 1.060 0.488 0.927 0.610 CB 1.655 42 residues pruned to eliminate duplicates Z: 22 23.487 2.237 0.669 0.563 0.905 0.571 CB 1.429 22 residues pruned to eliminate duplicates Z: 109 53.640 2.262 0.789 0.471 0.833 0.500 CB 1.576 109 residues pruned to eliminate duplicates Z: 105 74.216 2.309 1.007 0.526 0.913 0.510 CB 1.677 105 residues pruned to eliminate duplicates Z: 64 54.885 2.240 1.006 0.503 0.952 0.556 CB 1.611 64 residues pruned to eliminate duplicates Z: 44 45.531 2.180 1.003 0.549 0.930 0.558 CB 1.630 44 residues pruned to eliminate duplicates Z: 27 26.203 2.183 0.637 0.557 0.885 0.538 CB 1.538 27 residues pruned to eliminate duplicates Z: 28 26.627 2.150 0.801 0.567 0.815 0.444 CB 1.523 28 residues pruned to eliminate duplicates Z: 22 32.328 2.205 0.904 0.618 0.905 0.524 CA 1.662 22 residues pruned to eliminate duplicates Z: 23 32.138 2.133 0.864 0.658 0.909 0.636 CA 1.637 23 residues pruned to eliminate duplicates Z: 32 32.090 2.071 0.805 0.624 0.935 0.484 CB 1.466 32 residues pruned to eliminate duplicates Z: 39 34.358 2.183 0.830 0.557 0.868 0.553 CB 1.521 39 residues pruned to eliminate duplicates Z: 24 33.185 2.058 1.020 0.650 0.957 0.565 CB 1.514 24 residues pruned to eliminate duplicates Z: 47 38.218 2.209 0.722 0.542 0.891 0.522 CB 1.595 47 residues pruned to eliminate duplicates Z: 29 28.821 2.007 0.792 0.605 0.929 0.643 CB 1.475 29 residues pruned to eliminate duplicates Z: 23 35.167 2.134 0.900 0.646 0.955 0.500 CB 1.691 23 residues pruned to eliminate duplicates Z: 30 26.105 2.147 0.737 0.530 0.862 0.517 CB 1.465 30 residues pruned to eliminate duplicates Z: 22 39.111 2.233 0.997 0.677 0.952 0.476 CA 1.708 22 residues pruned to eliminate duplicates Z: 48 38.968 2.181 0.765 0.553 0.915 0.596 CB 1.533 48 residues pruned to eliminate duplicates Z: 22 33.784 2.171 0.998 0.639 0.952 0.667 CA 1.566 22 residues pruned to eliminate duplicates Z: 22 31.974 2.218 0.844 0.664 0.952 0.571 CA 1.539 22 residues pruned to eliminate duplicates Z: 22 33.270 2.210 0.995 0.635 0.952 0.619 CA 1.523 22 residues pruned to eliminate duplicates Z: 28 27.183 2.162 0.731 0.554 0.852 0.556 CA 1.557 28 residues pruned to eliminate duplicates Z: 46 36.009 2.194 0.749 0.536 0.867 0.600 CB 1.559 46 residues pruned to eliminate duplicates Z: 7 4.943 2.050 0.551 0.366 0.500 0.167 CB 1.466 7 residues pruned to eliminate duplicates Z: 23 18.805 2.101 0.675 0.462 0.818 0.455 CB 1.447 23 residues pruned to eliminate duplicates Z: 47 36.478 2.188 0.651 0.549 0.870 0.522 CB 1.633 47 residues pruned to eliminate duplicates Z: 48 39.237 2.201 0.706 0.565 0.894 0.596 CB 1.602 48 residues pruned to eliminate duplicates Z: 38 34.807 2.121 0.875 0.597 0.919 0.541 CB 1.427 38 residues pruned to eliminate duplicates Z: 21 16.169 2.006 0.658 0.487 0.800 0.500 CB 1.377 21 residues pruned to eliminate duplicates Z: 27 19.885 2.162 0.541 0.498 0.808 0.500 CB 1.452 27 residues pruned to eliminate duplicates Z: 19 18.628 2.098 0.641 0.501 0.889 0.500 CB 1.433 19 residues pruned to eliminate duplicates Z: 26 22.222 2.163 0.672 0.448 0.880 0.640 CB 1.474 26 residues pruned to eliminate duplicates Z: 17 21.657 2.116 0.742 0.522 0.938 0.625 CB 1.533 17 residues pruned to eliminate duplicates Z: 43 37.527 2.204 0.813 0.543 0.905 0.571 CB 1.536 43 residues pruned to eliminate duplicates Z: 37 39.954 2.195 0.798 0.585 0.917 0.556 CB 1.696 37 residues pruned to eliminate duplicates Z: 23 19.707 2.101 0.560 0.474 0.864 0.409 CB 1.524 23 residues pruned to eliminate duplicates Z: 24 22.959 2.069 0.716 0.449 0.913 0.478 CB 1.556 24 residues pruned to eliminate duplicates Z: 18 17.638 2.127 0.654 0.479 0.765 0.412 CB 1.624 18 residues pruned to eliminate duplicates Z: 27 26.130 2.125 0.746 0.512 0.885 0.577 CB 1.543 27 residues pruned to eliminate duplicates Z: 26 27.818 2.197 0.714 0.499 0.920 0.680 CB 1.607 26 residues pruned to eliminate duplicates Z: 20 19.416 2.197 0.720 0.446 0.842 0.684 CB 1.479 20 residues pruned to eliminate duplicates Z: 25 25.253 2.198 0.533 0.517 0.917 0.417 CB 1.640 25 residues pruned to eliminate duplicates Z: 28 22.381 2.103 0.567 0.468 0.889 0.519 CB 1.519 28 residues pruned to eliminate duplicates Z: 9 11.740 2.312 0.415 0.375 0.875 0.750 CB 1.657 9 residues pruned to eliminate duplicates Z: 13 7.460 2.017 0.423 0.298 0.667 0.500 CB 1.411 13 residues pruned to eliminate duplicates Z: 9 15.401 2.309 0.730 0.362 1.000 0.750 CB 1.581 9 residues pruned to eliminate duplicates Z: 17 15.196 1.932 0.592 0.518 0.938 0.562 CB 1.294 17 residues pruned to eliminate duplicates Z: 15 15.905 2.098 0.858 0.456 0.929 0.571 CB 1.228 15 residues pruned to eliminate duplicates Z: 19 11.642 1.956 0.772 0.393 0.833 0.444 CB 1.064 19 residues pruned to eliminate duplicates Z: 51 39.356 2.253 0.845 0.474 0.920 0.520 CB 1.494 51 residues pruned to eliminate duplicates Z: 17 12.172 1.941 0.792 0.416 0.812 0.500 CB 1.176 17 residues pruned to eliminate duplicates Z: 15 10.637 1.953 0.650 0.415 0.786 0.500 CB 1.227 15 residues pruned to eliminate duplicates Z: 14 14.591 2.037 0.755 0.483 0.923 0.538 CB 1.248 14 residues pruned to eliminate duplicates Z: 24 14.288 1.924 0.834 0.426 0.739 0.522 CB 1.233 24 residues pruned to eliminate duplicates Z: 15 11.780 2.030 0.602 0.437 0.929 0.500 CB 1.112 15 residues pruned to eliminate duplicates Z: 17 13.169 1.943 0.834 0.453 0.812 0.500 CB 1.193 17 residues pruned to eliminate duplicates Z: 17 16.536 2.023 0.938 0.456 0.875 0.625 CB 1.260 17 residues pruned to eliminate duplicates Z: 24 15.481 1.984 0.743 0.341 0.957 0.478 CB 1.161 24 residues pruned to eliminate duplicates Z: 24 17.251 1.926 0.862 0.403 0.913 0.348 CB 1.217 24 residues pruned to eliminate duplicates Z: 17 11.741 1.991 0.710 0.456 0.812 0.562 CB 1.109 17 residues pruned to eliminate duplicates Z: 16 12.085 1.975 0.683 0.485 0.933 0.533 CB 1.022 16 residues pruned to eliminate duplicates Z: 18 14.239 2.237 0.565 0.396 0.765 0.412 CB 1.439 18 residues pruned to eliminate duplicates Z: 19 19.471 2.211 0.592 0.471 0.833 0.556 CB 1.612 29 residues pruned to eliminate duplicates Z: 8 9.350 1.608 0.921 0.441 1.000 0.571 O 1.216 Z: 6 5.500 1.639 1.208 0.232 0.800 0.400 N 1.161 Z: 6 9.303 1.863 0.701 0.416 1.000 0.800 CA 1.433 12 residues pruned to eliminate duplicates Z: 19 17.438 2.099 0.653 0.393 0.833 0.500 CB 1.592 19 residues pruned to eliminate duplicates Z: 26 15.247 2.006 0.735 0.309 0.680 0.440 CB 1.593 26 residues pruned to eliminate duplicates Z: 16 18.791 2.331 0.859 0.424 0.733 0.533 CB 1.652 16 residues pruned to eliminate duplicates Z: 18 19.054 2.224 0.823 0.389 0.824 0.588 CB 1.557 18 residues pruned to eliminate duplicates Z: 20 18.788 2.252 0.728 0.391 0.789 0.474 CB 1.574 20 residues pruned to eliminate duplicates Z: 14 24.877 2.348 0.904 0.495 0.846 0.462 CB 1.833 33 residues pruned to eliminate duplicates Z: 13 30.397 2.210 1.100 0.775 1.000 0.917 CA 1.482 13 residues pruned to eliminate duplicates Z: 45 43.319 2.379 0.799 0.509 0.932 0.659 CB 1.622 45 residues pruned to eliminate duplicates Z: 44 52.451 2.382 1.082 0.544 0.953 0.581 CB 1.621 44 residues pruned to eliminate duplicates Z: 12 25.876 2.329 1.036 0.673 0.909 0.636 CA 1.544 12 residues pruned to eliminate duplicates Z: 43 46.142 2.410 0.982 0.554 0.857 0.571 CB 1.650 43 residues pruned to eliminate duplicates Z: 14 22.433 2.233 1.058 0.559 0.846 0.462 CB 1.511 14 residues pruned to eliminate duplicates Z: 41 45.818 2.408 0.904 0.520 0.925 0.600 CB 1.674 41 residues pruned to eliminate duplicates Z: 29 39.251 2.347 0.943 0.621 0.929 0.607 CA 1.562 29 residues pruned to eliminate duplicates Z: 42 40.808 2.384 0.950 0.490 0.829 0.610 CB 1.670 42 residues pruned to eliminate duplicates Z: 44 42.895 2.354 0.823 0.516 0.907 0.698 CB 1.654 44 residues pruned to eliminate duplicates Z: 43 48.377 2.399 0.880 0.545 0.905 0.595 CB 1.750 43 residues pruned to eliminate duplicates Z: 28 42.966 2.410 0.994 0.638 0.889 0.778 CA 1.700 28 residues pruned to eliminate duplicates Z: 27 49.744 2.402 1.169 0.675 0.923 0.692 CA 1.726 27 residues pruned to eliminate duplicates Z: 31 36.441 2.411 0.710 0.490 0.933 0.733 CB 1.747 31 residues pruned to eliminate duplicates Z: 30 38.368 2.467 0.778 0.502 0.931 0.724 CB 1.742 30 residues pruned to eliminate duplicates Z: 17 28.190 2.260 1.001 0.649 0.875 0.688 CA 1.549 17 residues pruned to eliminate duplicates Z: 41 45.396 2.407 0.822 0.523 0.925 0.625 CA 1.731 41 residues pruned to eliminate duplicates Z: 40 43.800 2.449 0.768 0.498 0.897 0.615 CB 1.809 40 residues pruned to eliminate duplicates Z: 29 41.337 2.456 0.986 0.557 0.929 0.714 CB 1.632 29 residues pruned to eliminate duplicates Z: 17 29.584 2.347 1.353 0.595 0.750 0.562 CB 1.631 17 residues pruned to eliminate duplicates Z: 32 33.174 2.358 0.950 0.494 0.839 0.710 CB 1.554 32 residues pruned to eliminate duplicates Z: 41 53.791 2.464 1.050 0.548 0.950 0.750 CB 1.691 41 residues pruned to eliminate duplicates Z: 43 47.616 2.442 0.986 0.516 0.905 0.643 CB 1.648 43 residues pruned to eliminate duplicates Z: 45 48.665 2.379 0.994 0.514 0.886 0.591 CB 1.721 45 residues pruned to eliminate duplicates Z: 43 43.963 2.382 0.885 0.496 0.881 0.595 CB 1.721 43 residues pruned to eliminate duplicates Z: 42 42.473 2.351 0.795 0.486 0.927 0.610 CB 1.720 42 residues pruned to eliminate duplicates Z: 29 40.568 2.446 1.072 0.541 0.893 0.500 CB 1.627 29 residues pruned to eliminate duplicates Z: 47 37.964 2.317 0.892 0.458 0.826 0.543 CB 1.614 47 residues pruned to eliminate duplicates Z: 29 33.426 2.324 0.890 0.438 0.893 0.571 CB 1.717 29 residues pruned to eliminate duplicates Z: 41 42.671 2.344 0.803 0.438 0.950 0.525 CB 1.792 41 residues pruned to eliminate duplicates Z: 40 41.779 2.397 0.721 0.490 0.923 0.385 CB 1.774 40 residues pruned to eliminate duplicates Z: 20 20.447 2.311 0.627 0.323 0.895 0.526 CB 1.694 20 residues pruned to eliminate duplicates Z: 30 44.354 2.464 1.040 0.563 0.931 0.655 CB 1.656 30 residues pruned to eliminate duplicates Z: 33 30.872 2.336 0.828 0.503 0.844 0.500 CB 1.511 33 residues pruned to eliminate duplicates Z: 21 18.789 2.248 0.817 0.294 0.750 0.350 CB 1.728 21 residues pruned to eliminate duplicates Z: 42 46.655 2.428 1.079 0.563 0.829 0.537 CB 1.636 42 residues pruned to eliminate duplicates Z: 29 39.857 2.479 0.965 0.520 0.893 0.464 CB 1.698 29 residues pruned to eliminate duplicates Z: 28 28.034 2.318 0.738 0.460 0.926 0.407 CB 1.506 28 residues pruned to eliminate duplicates Z: 28 35.786 2.396 0.892 0.415 0.926 0.444 CB 1.793 28 residues pruned to eliminate duplicates Z: 32 30.605 2.243 0.906 0.426 0.903 0.516 CB 1.538 32 residues pruned to eliminate duplicates Z: 9 11.345 2.209 0.391 0.451 0.875 0.750 CA 1.568 Z: 14 31.416 2.049 1.124 0.902 1.000 0.846 CB 1.429 26 residues pruned to eliminate duplicates Z: 14 27.790 2.065 1.213 0.818 0.923 0.769 CB 1.386 14 residues pruned to eliminate duplicates Z: 14 24.590 2.124 0.955 0.824 0.846 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 13 29.348 2.209 1.056 0.818 1.000 0.833 CB 1.415 14 residues pruned to eliminate duplicates Z: 14 28.527 2.054 1.046 0.888 0.923 0.846 CB 1.469 14 residues pruned to eliminate duplicates Z: 45 28.252 2.061 0.944 0.457 0.864 0.477 CB 1.286 45 residues pruned to eliminate duplicates Z: 26 41.593 2.275 1.087 0.692 0.960 0.600 CB 1.530 39 residues pruned to eliminate duplicates Z: 15 28.202 2.172 1.105 0.766 0.929 0.643 CB 1.403 Z: 13 39.226 2.191 1.165 0.871 1.000 0.833 CB 1.742 15 residues pruned to eliminate duplicates Z: 13 35.730 2.147 1.286 0.909 0.917 0.750 CB 1.626 13 residues pruned to eliminate duplicates Z: 7 5.832 1.538 1.106 0.393 0.833 0.500 CB 0.988 7 residues pruned to eliminate duplicates Z: 6 3.674 1.523 0.670 0.292 0.800 0.600 CA 1.019 6 residues pruned to eliminate duplicates Z: 12 16.903 2.207 0.887 0.483 0.909 0.545 CB 1.369 12 residues pruned to eliminate duplicates Z: 6 5.377 2.052 0.404 0.367 0.800 0.400 CB 1.204 6 residues pruned to eliminate duplicates Z: 13 14.345 2.146 0.669 0.504 0.917 0.833 CB 1.256 13 residues pruned to eliminate duplicates Z: 12 11.348 2.135 0.749 0.454 0.818 0.636 CB 1.174 12 residues pruned to eliminate duplicates Z: 55 22.726 2.032 0.740 0.338 0.796 0.463 CB 1.311 55 residues pruned to eliminate duplicates Z: 8 10.003 1.827 0.770 0.457 0.857 0.429 CB 1.426 8 residues pruned to eliminate duplicates Z: 61 39.671 2.266 0.766 0.496 0.850 0.517 CB 1.512 61 residues pruned to eliminate duplicates Z: 21 12.808 2.154 0.588 0.403 0.850 0.450 CB 1.091 21 residues pruned to eliminate duplicates Z: 90 40.936 2.234 0.874 0.406 0.798 0.382 CB 1.435 90 residues pruned to eliminate duplicates Z: 28 27.817 2.271 0.944 0.480 0.815 0.667 CB 1.518 28 residues pruned to eliminate duplicates Z: 21 17.317 2.222 0.778 0.413 0.850 0.450 CB 1.263 21 residues pruned to eliminate duplicates Z: 22 34.519 2.324 1.081 0.453 0.905 0.524 CB 1.807 22 residues pruned to eliminate duplicates Z: 28 25.656 2.204 0.966 0.379 0.815 0.519 CB 1.590 28 residues pruned to eliminate duplicates Z: 25 24.466 2.183 1.072 0.375 0.833 0.500 CB 1.514 25 residues pruned to eliminate duplicates Z: 23 30.902 2.299 1.164 0.388 0.864 0.500 CB 1.727 23 residues pruned to eliminate duplicates Z: 26 27.462 2.194 0.921 0.400 0.840 0.480 CB 1.725 26 residues pruned to eliminate duplicates Z: 42 39.561 2.359 0.974 0.478 0.805 0.537 CB 1.685 42 residues pruned to eliminate duplicates Z: 25 18.886 2.177 0.733 0.321 0.792 0.542 CA 1.572 25 residues pruned to eliminate duplicates Z: 41 25.553 2.207 0.877 0.355 0.775 0.450 CB 1.472 41 residues pruned to eliminate duplicates Z: 63 55.027 2.393 0.999 0.457 0.887 0.468 CB 1.721 63 residues pruned to eliminate duplicates Z: 25 24.015 2.095 1.081 0.339 0.792 0.375 CB 1.693 25 residues pruned to eliminate duplicates Z: 27 26.543 2.150 1.045 0.366 0.846 0.385 CB 1.616 27 residues pruned to eliminate duplicates Z: 33 24.642 2.154 0.998 0.364 0.719 0.438 CB 1.630 33 residues pruned to eliminate duplicates Z: 20 24.375 2.159 1.036 0.449 0.789 0.474 CB 1.699 20 residues pruned to eliminate duplicates Z: 42 39.978 2.322 0.816 0.543 0.829 0.585 CB 1.713 42 residues pruned to eliminate duplicates Z: 26 22.750 2.218 0.813 0.410 0.760 0.360 CB 1.636 26 residues pruned to eliminate duplicates Z: 37 26.133 2.077 0.742 0.465 0.778 0.472 CB 1.604 37 residues pruned to eliminate duplicates Z: 76 51.225 2.347 0.797 0.482 0.840 0.507 CB 1.699 76 residues pruned to eliminate duplicates Z: 25 25.700 2.251 0.902 0.423 0.833 0.333 CB 1.593 25 residues pruned to eliminate duplicates Z: 10 9.884 2.133 0.282 0.359 0.889 0.333 CA 1.578 10 residues pruned to eliminate duplicates Z: 23 31.774 2.272 0.961 0.515 0.864 0.500 CA 1.735 23 residues pruned to eliminate duplicates Z: 60 37.770 2.293 0.842 0.499 0.814 0.542 CB 1.432 60 residues pruned to eliminate duplicates Z: 105 55.789 2.315 0.861 0.454 0.817 0.462 CB 1.629 105 residues pruned to eliminate duplicates Z: 71 54.574 2.396 0.943 0.507 0.843 0.529 CB 1.650 71 residues pruned to eliminate duplicates Z: 62 50.714 2.401 0.856 0.508 0.852 0.541 CB 1.696 62 residues pruned to eliminate duplicates Z: 89 53.129 2.320 0.861 0.483 0.875 0.534 CB 1.526 89 residues pruned to eliminate duplicates Z: 45 39.942 2.304 0.840 0.564 0.864 0.636 CB 1.546 45 residues pruned to eliminate duplicates Z: 33 34.123 2.262 0.941 0.588 0.906 0.719 CB 1.394 33 residues pruned to eliminate duplicates Z: 61 45.632 2.273 0.859 0.517 0.867 0.517 CB 1.582 61 residues pruned to eliminate duplicates Z: 20 30.248 2.318 0.721 0.697 0.947 0.526 CB 1.534 20 residues pruned to eliminate duplicates Z: 35 23.725 2.172 0.875 0.412 0.706 0.559 CB 1.552 35 residues pruned to eliminate duplicates Z: 63 43.096 2.235 0.847 0.484 0.871 0.548 CB 1.547 63 residues pruned to eliminate duplicates Z: 44 45.308 2.359 0.844 0.542 0.907 0.674 CB 1.682 44 residues pruned to eliminate duplicates Z: 52 45.661 2.364 0.869 0.502 0.863 0.569 CB 1.674 52 residues pruned to eliminate duplicates Z: 22 29.508 2.318 0.739 0.676 0.905 0.714 CB 1.501 22 residues pruned to eliminate duplicates Z: 43 39.637 2.321 0.769 0.557 0.833 0.595 CB 1.692 43 residues pruned to eliminate duplicates Z: 86 58.851 2.324 0.910 0.493 0.859 0.494 CB 1.687 86 residues pruned to eliminate duplicates Z: 47 50.351 2.386 1.005 0.542 0.870 0.500 CB 1.712 47 residues pruned to eliminate duplicates Z: 43 49.592 2.386 1.088 0.556 0.857 0.643 CB 1.698 43 residues pruned to eliminate duplicates Z: 56 46.987 2.378 0.918 0.500 0.855 0.491 CB 1.625 56 residues pruned to eliminate duplicates Z: 90 61.716 2.277 1.010 0.472 0.876 0.494 CB 1.679 98 residues pruned to eliminate duplicates Z: 19 38.002 2.307 1.033 0.736 0.944 0.778 CA 1.636 19 residues pruned to eliminate duplicates Z: 82 62.431 2.332 0.962 0.523 0.901 0.519 CB 1.644 82 residues pruned to eliminate duplicates Z: 53 49.107 2.366 0.941 0.523 0.865 0.423 CB 1.675 53 residues pruned to eliminate duplicates Z: 98 66.100 2.300 1.021 0.479 0.887 0.567 CB 1.663 98 residues pruned to eliminate duplicates Z: 48 40.248 2.329 0.917 0.464 0.872 0.553 CB 1.563 48 residues pruned to eliminate duplicates Z: 93 61.755 2.310 0.936 0.499 0.913 0.565 CB 1.578 93 residues pruned to eliminate duplicates Z: 43 40.813 2.315 0.804 0.504 0.905 0.595 CB 1.661 43 residues pruned to eliminate duplicates Z: 63 61.146 2.381 1.145 0.488 0.919 0.516 CB 1.675 63 residues pruned to eliminate duplicates Z: 75 49.333 2.354 0.763 0.469 0.865 0.500 CB 1.649 75 residues pruned to eliminate duplicates Z: 62 57.600 2.432 1.003 0.503 0.869 0.541 CB 1.739 62 residues pruned to eliminate duplicates Z: 91 53.075 2.319 0.872 0.424 0.833 0.422 CB 1.674 91 residues pruned to eliminate duplicates Z: 61 52.547 2.306 0.988 0.526 0.900 0.483 CB 1.602 61 residues pruned to eliminate duplicates Z: 75 47.803 2.253 0.872 0.467 0.851 0.568 CB 1.600 75 residues pruned to eliminate duplicates Z: 61 45.474 2.263 0.892 0.482 0.883 0.583 CB 1.581 61 residues pruned to eliminate duplicates Z: 130 67.328 2.312 0.932 0.458 0.845 0.535 CB 1.640 128 residues pruned to eliminate duplicates Z: 6 5.660 2.129 0.231 0.300 0.800 0.400 CB 1.508 6 residues pruned to eliminate duplicates Z: 85 59.599 2.317 0.951 0.509 0.869 0.595 CB 1.640 85 residues pruned to eliminate duplicates Z: 65 58.589 2.273 1.160 0.513 0.875 0.500 CB 1.683 65 residues pruned to eliminate duplicates Z: 74 54.023 2.309 0.987 0.434 0.877 0.493 CB 1.682 74 residues pruned to eliminate duplicates Z: 73 62.403 2.366 1.058 0.485 0.917 0.569 CB 1.674 73 residues pruned to eliminate duplicates Z: 87 66.021 2.364 1.009 0.471 0.919 0.570 CB 1.680 87 residues pruned to eliminate duplicates Z: 12 28.006 2.298 1.235 0.738 0.909 0.455 CA 1.461 12 residues pruned to eliminate duplicates Z: 34 40.653 2.305 1.151 0.413 0.879 0.455 CB 1.779 34 residues pruned to eliminate duplicates Z: 72 55.364 2.362 0.953 0.470 0.873 0.479 CB 1.681 72 residues pruned to eliminate duplicates Z: 58 51.894 2.319 1.068 0.492 0.895 0.456 CB 1.614 58 residues pruned to eliminate duplicates Z: 83 56.211 2.287 1.015 0.400 0.915 0.329 CB 1.635 83 residues pruned to eliminate duplicates Z: 81 57.677 2.305 0.969 0.479 0.887 0.475 CB 1.635 81 residues pruned to eliminate duplicates Z: 60 60.645 2.322 1.066 0.549 0.949 0.559 CB 1.653 60 residues pruned to eliminate duplicates Z: 24 36.731 2.198 1.245 0.622 0.913 0.609 CB 1.515 24 residues pruned to eliminate duplicates Z: 23 21.098 1.974 0.992 0.452 0.909 0.682 CB 1.322 23 residues pruned to eliminate duplicates Z: 82 70.661 2.365 1.073 0.534 0.926 0.531 CB 1.672 82 residues pruned to eliminate duplicates Z: 25 32.412 2.156 1.064 0.562 0.875 0.458 CB 1.600 25 residues pruned to eliminate duplicates Z: 83 64.884 2.301 1.086 0.529 0.902 0.537 CB 1.608 83 residues pruned to eliminate duplicates Z: 72 57.125 2.280 0.981 0.500 0.915 0.507 CB 1.639 72 residues pruned to eliminate duplicates Z: 88 59.299 2.260 1.041 0.495 0.874 0.494 CB 1.585 88 residues pruned to eliminate duplicates Z: 28 26.728 2.083 0.984 0.529 0.889 0.593 CB 1.361 28 residues pruned to eliminate duplicates Z: 24 28.909 2.220 0.926 0.519 0.913 0.478 CB 1.515 24 residues pruned to eliminate duplicates Z: 65 59.254 2.362 1.025 0.524 0.922 0.547 CB 1.641 65 residues pruned to eliminate duplicates Z: 77 58.205 2.272 1.019 0.498 0.908 0.566 CB 1.607 77 residues pruned to eliminate duplicates Z: 62 54.292 2.279 1.007 0.525 0.934 0.557 CB 1.587 62 residues pruned to eliminate duplicates Z: 117 67.187 2.268 0.926 0.486 0.922 0.603 CB 1.570 117 residues pruned to eliminate duplicates Z: 75 62.168 2.286 1.088 0.510 0.905 0.514 CB 1.655 75 residues pruned to eliminate duplicates Z: 59 51.986 2.269 1.095 0.484 0.879 0.569 CB 1.661 59 residues pruned to eliminate duplicates Z: 33 31.872 2.277 0.884 0.450 0.844 0.562 CB 1.639 31 residues pruned to eliminate duplicates Z: 9 23.584 2.196 1.073 0.775 1.000 0.500 CA 1.436 9 residues pruned to eliminate duplicates Z: 30 33.050 2.255 0.890 0.520 0.931 0.621 CB 1.516 30 residues pruned to eliminate duplicates Z: 24 36.974 2.281 0.929 0.636 0.957 0.696 CB 1.612 24 residues pruned to eliminate duplicates Z: 25 39.894 2.215 1.046 0.618 0.917 0.542 CB 1.754 25 residues pruned to eliminate duplicates Z: 32 34.015 2.200 1.045 0.537 0.806 0.484 CB 1.623 32 residues pruned to eliminate duplicates Z: 24 42.869 2.258 1.146 0.654 1.000 0.696 CB 1.598 24 residues pruned to eliminate duplicates Z: 40 45.448 2.263 1.011 0.531 0.923 0.590 CB 1.681 43 residues pruned to eliminate duplicates Z: 6 4.642 1.932 0.280 0.337 0.800 0.600 CB 1.254 6 residues pruned to eliminate duplicates Z: 24 38.098 2.269 1.072 0.615 0.957 0.652 CB 1.584 24 residues pruned to eliminate duplicates Z: 22 35.880 2.266 1.005 0.702 0.905 0.667 CB 1.585 22 residues pruned to eliminate duplicates Z: 28 33.840 2.275 1.074 0.583 0.852 0.630 CB 1.496 28 residues pruned to eliminate duplicates Z: 23 39.543 2.270 1.031 0.647 0.909 0.636 CA 1.753 23 residues pruned to eliminate duplicates Z: 40 44.785 2.297 0.931 0.549 0.923 0.590 CB 1.670 38 residues pruned to eliminate duplicates Z: 6 4.648 1.792 0.487 0.252 0.800 0.800 CB 1.298 6 residues pruned to eliminate duplicates Z: 9 8.429 1.947 0.410 0.405 0.875 0.500 N 1.371 9 residues pruned to eliminate duplicates Z: 18 19.052 2.190 0.835 0.421 0.765 0.294 CA 1.633 18 residues pruned to eliminate duplicates Z: 39 48.607 2.302 1.001 0.588 0.895 0.658 CB 1.757 39 residues pruned to eliminate duplicates Z: 19 24.668 2.164 0.932 0.491 0.833 0.500 CA 1.684 19 residues pruned to eliminate duplicates Z: 16 27.008 2.247 0.995 0.551 0.867 0.600 CA 1.709 16 residues pruned to eliminate duplicates Z: 15 32.623 2.310 1.252 0.521 0.929 0.571 CA 1.768 15 residues pruned to eliminate duplicates Z: 25 20.209 2.090 0.752 0.408 0.792 0.542 CB 1.567 25 residues pruned to eliminate duplicates Z: 17 31.313 2.322 0.974 0.539 0.938 0.500 CA 1.754 17 residues pruned to eliminate duplicates Z: 10 30.198 2.384 1.303 0.619 0.889 0.556 CA 1.844 10 residues pruned to eliminate duplicates Z: 18 24.974 2.287 0.917 0.518 0.824 0.294 CA 1.647 18 residues pruned to eliminate duplicates Z: 15 29.812 2.325 1.028 0.516 0.929 0.500 CA 1.791 15 residues pruned to eliminate duplicates Z: 10 19.382 2.326 1.054 0.554 0.778 0.667 CA 1.649 10 residues pruned to eliminate duplicates Z: 23 26.272 2.209 0.569 0.665 0.909 0.773 CA 1.526 23 residues pruned to eliminate duplicates Z: 29 22.316 2.138 0.459 0.527 0.857 0.643 CB 1.536 29 residues pruned to eliminate duplicates Z: 24 29.911 2.166 0.796 0.647 0.913 0.696 CB 1.531 24 residues pruned to eliminate duplicates Z: 51 41.367 2.125 0.753 0.579 0.960 0.520 CB 1.517 48 residues pruned to eliminate duplicates Z: 7 7.389 1.869 0.069 0.562 1.000 0.333 N 1.421 7 residues pruned to eliminate duplicates Z: 76 36.608 2.120 0.554 0.483 0.880 0.467 CB 1.483 69 residues pruned to eliminate duplicates Z: 8 7.263 1.890 0.264 0.505 0.857 0.571 CA 1.335 8 residues pruned to eliminate duplicates Z: 123 62.198 2.173 0.900 0.490 0.902 0.525 CB 1.528 123 residues pruned to eliminate duplicates Z: 28 23.209 2.121 0.649 0.453 0.926 0.481 CB 1.447 28 residues pruned to eliminate duplicates Z: 13 13.879 2.060 0.826 0.290 0.833 0.583 CB 1.618 13 residues pruned to eliminate duplicates Z: 29 21.623 2.050 0.771 0.358 0.857 0.571 CB 1.530 29 residues pruned to eliminate duplicates Z: 17 20.162 2.162 0.834 0.418 0.875 0.500 CB 1.583 17 residues pruned to eliminate duplicates Z: 15 14.576 2.140 0.627 0.379 0.929 0.571 CB 1.371 15 residues pruned to eliminate duplicates Z: 13 7.128 2.057 0.638 0.298 0.750 0.333 CB 1.020 13 residues pruned to eliminate duplicates Z: 18 11.325 2.035 0.821 0.222 0.765 0.294 CB 1.343 18 residues pruned to eliminate duplicates Z: 14 17.030 2.248 0.850 0.383 0.769 0.538 CB 1.672 14 residues pruned to eliminate duplicates Z: 20 15.868 2.022 0.848 0.360 0.789 0.474 CA 1.434 20 residues pruned to eliminate duplicates Z: 16 11.896 2.098 0.542 0.242 0.933 0.467 CB 1.370 16 residues pruned to eliminate duplicates Z: 16 11.488 2.103 0.554 0.200 0.867 0.333 CB 1.497 16 residues pruned to eliminate duplicates Z: 33 17.252 2.039 0.544 0.327 0.875 0.562 CB 1.339 33 residues pruned to eliminate duplicates Z: 12 5.169 1.632 0.322 0.229 0.818 0.455 CB 1.211 12 residues pruned to eliminate duplicates Z: 14 17.315 2.235 0.774 0.351 0.923 0.615 CB 1.542 14 residues pruned to eliminate duplicates Z: 86 45.180 2.266 0.777 0.393 0.859 0.471 CB 1.586 86 residues pruned to eliminate duplicates Z: 19 15.202 2.225 0.725 0.331 0.778 0.556 CB 1.444 19 residues pruned to eliminate duplicates Z: 20 15.303 2.199 0.609 0.342 0.842 0.474 CB 1.400 20 residues pruned to eliminate duplicates Z: 21 18.037 2.177 0.598 0.405 0.900 0.500 CB 1.424 21 residues pruned to eliminate duplicates Z: 18 16.754 2.233 0.622 0.349 0.824 0.588 CB 1.606 18 residues pruned to eliminate duplicates Z: 23 21.893 2.317 0.710 0.350 0.909 0.409 CB 1.525 23 residues pruned to eliminate duplicates Z: 6 9.071 2.160 0.431 0.343 1.000 0.200 CA 1.556 6 residues pruned to eliminate duplicates Z: 52 26.530 2.199 0.760 0.331 0.843 0.353 CB 1.369 52 residues pruned to eliminate duplicates Z: 47 24.427 2.191 0.668 0.330 0.761 0.391 CB 1.560 47 residues pruned to eliminate duplicates Z: 40 32.708 2.307 0.888 0.369 0.846 0.564 CB 1.634 40 residues pruned to eliminate duplicates Z: 99 56.146 2.323 0.776 0.445 0.878 0.480 CB 1.657 97 residues pruned to eliminate duplicates Z: 9 4.802 1.530 0.807 0.381 0.750 0.500 CB 0.929 9 residues pruned to eliminate duplicates Z: 88 49.335 2.285 0.867 0.444 0.862 0.517 CB 1.523 79 residues pruned to eliminate duplicates Z: 6 4.642 1.818 0.412 0.363 0.800 0.600 CB 1.171 6 residues pruned to eliminate duplicates Z: 18 19.577 2.272 0.861 0.448 0.941 0.588 CB 1.259 28 residues pruned to eliminate duplicates Z: 6 6.231 1.801 0.923 0.198 0.800 0.200 C 1.441 6 residues pruned to eliminate duplicates Z: 27 20.875 2.234 1.167 0.353 0.769 0.385 CB 1.289 27 residues pruned to eliminate duplicates Z: 42 29.056 2.170 0.767 0.462 0.878 0.561 CB 1.401 42 residues pruned to eliminate duplicates Z: 25 27.761 2.256 1.029 0.436 0.833 0.500 CB 1.588 25 residues pruned to eliminate duplicates Z: 35 29.268 2.164 0.979 0.422 0.853 0.471 CB 1.491 43 residues pruned to eliminate duplicates Z: 23 28.859 2.356 0.992 0.443 0.818 0.545 CB 1.700 23 residues pruned to eliminate duplicates Z: 88 51.596 2.260 0.911 0.450 0.862 0.517 CB 1.564 88 residues pruned to eliminate duplicates Z: 25 30.492 2.261 1.143 0.413 0.875 0.583 CB 1.608 25 residues pruned to eliminate duplicates Z: 27 27.447 2.239 0.944 0.377 0.885 0.538 CB 1.595 27 residues pruned to eliminate duplicates Z: 40 36.419 2.275 1.017 0.396 0.897 0.436 CB 1.581 40 residues pruned to eliminate duplicates Z: 36 33.113 2.199 1.183 0.399 0.829 0.543 CB 1.566 36 residues pruned to eliminate duplicates Z: 29 29.748 2.190 0.952 0.494 0.893 0.571 CB 1.482 29 residues pruned to eliminate duplicates Z: 22 33.394 2.270 1.204 0.454 0.952 0.667 CB 1.603 22 residues pruned to eliminate duplicates Z: 30 24.159 2.190 1.003 0.349 0.793 0.448 CB 1.519 30 residues pruned to eliminate duplicates Z: 21 25.988 2.286 1.103 0.393 0.850 0.500 CB 1.592 21 residues pruned to eliminate duplicates Z: 28 31.383 2.205 1.057 0.424 0.852 0.556 CB 1.691 28 residues pruned to eliminate duplicates Z: 24 34.010 2.371 1.132 0.418 0.870 0.435 CB 1.757 24 residues pruned to eliminate duplicates Z: 25 7.518 1.930 0.779 0.202 0.625 0.333 CB 1.018 25 residues pruned to eliminate duplicates Z: 53 34.240 2.186 0.910 0.392 0.827 0.519 CB 1.542 53 residues pruned to eliminate duplicates Z: 27 33.108 2.279 1.072 0.455 0.846 0.538 CB 1.702 27 residues pruned to eliminate duplicates Z: 29 27.368 2.191 0.972 0.421 0.786 0.357 CB 1.655 29 residues pruned to eliminate duplicates Z: 22 35.686 2.315 1.027 0.549 0.905 0.619 CA 1.748 22 residues pruned to eliminate duplicates Z: 74 43.396 2.298 0.902 0.394 0.795 0.479 CB 1.636 74 residues pruned to eliminate duplicates Z: 77 43.539 2.316 0.647 0.425 0.855 0.553 CB 1.654 77 residues pruned to eliminate duplicates Z: 73 48.100 2.335 0.942 0.448 0.819 0.472 CB 1.610 73 residues pruned to eliminate duplicates Z: 65 48.422 2.289 0.844 0.466 0.891 0.516 CB 1.667 65 residues pruned to eliminate duplicates Z: 80 53.304 2.304 0.891 0.504 0.823 0.544 CB 1.667 80 residues pruned to eliminate duplicates Z: 34 35.892 2.375 0.948 0.487 0.879 0.424 CB 1.556 34 residues pruned to eliminate duplicates Z: 46 41.377 2.354 0.847 0.445 0.867 0.511 CB 1.732 46 residues pruned to eliminate duplicates Z: 43 42.859 2.433 0.798 0.492 0.881 0.571 CB 1.730 43 residues pruned to eliminate duplicates Z: 51 47.706 2.336 1.050 0.438 0.920 0.540 CB 1.633 51 residues pruned to eliminate duplicates Z: 39 50.100 2.403 0.977 0.553 0.921 0.553 CB 1.764 39 residues pruned to eliminate duplicates Z: 81 50.884 2.318 0.828 0.457 0.850 0.463 CB 1.649 81 residues pruned to eliminate duplicates Z: 70 50.877 2.251 0.920 0.467 0.942 0.536 CB 1.555 70 residues pruned to eliminate duplicates Z: 64 47.722 2.325 0.812 0.488 0.873 0.476 CB 1.655 64 residues pruned to eliminate duplicates Z: 30 35.873 2.228 0.965 0.549 0.897 0.517 CB 1.619 30 residues pruned to eliminate duplicates Z: 64 52.280 2.346 0.957 0.515 0.857 0.540 CB 1.650 64 residues pruned to eliminate duplicates Z: 63 47.928 2.287 0.845 0.537 0.871 0.516 CB 1.597 63 residues pruned to eliminate duplicates Z: 34 38.260 2.348 0.953 0.476 0.909 0.576 CB 1.636 34 residues pruned to eliminate duplicates Z: 51 48.777 2.287 1.049 0.480 0.920 0.520 CB 1.632 51 residues pruned to eliminate duplicates Z: 29 37.648 2.363 0.998 0.556 0.893 0.536 CA 1.598 29 residues pruned to eliminate duplicates Z: 87 62.834 2.314 0.974 0.493 0.895 0.547 CB 1.669 87 residues pruned to eliminate duplicates Z: 40 47.398 2.394 1.072 0.518 0.897 0.564 CB 1.674 40 residues pruned to eliminate duplicates Z: 72 43.847 2.250 0.832 0.478 0.831 0.521 CB 1.552 72 residues pruned to eliminate duplicates Z: 41 49.021 2.440 1.099 0.481 0.900 0.575 CB 1.715 41 residues pruned to eliminate duplicates Z: 59 50.513 2.304 0.957 0.520 0.914 0.500 CB 1.578 59 residues pruned to eliminate duplicates Z: 56 47.426 2.331 0.877 0.471 0.909 0.545 CB 1.655 65 residues pruned to eliminate duplicates Z: 88 61.172 2.258 1.077 0.514 0.874 0.529 CB 1.578 88 residues pruned to eliminate duplicates Z: 59 50.288 2.333 1.057 0.438 0.897 0.500 CB 1.637 59 residues pruned to eliminate duplicates Z: 64 56.771 2.334 1.109 0.472 0.905 0.524 CB 1.653 64 residues pruned to eliminate duplicates Z: 91 54.580 2.251 0.959 0.444 0.867 0.544 CB 1.594 91 residues pruned to eliminate duplicates Z: 62 54.946 2.340 1.069 0.478 0.885 0.574 CB 1.679 62 residues pruned to eliminate duplicates Z: 30 33.877 2.359 0.982 0.359 0.931 0.621 CB 1.681 30 residues pruned to eliminate duplicates Z: 24 11.782 2.142 0.503 0.199 0.739 0.478 CB 1.477 24 residues pruned to eliminate duplicates Z: 43 45.257 2.397 1.027 0.461 0.905 0.571 CB 1.652 43 residues pruned to eliminate duplicates Z: 59 51.806 2.277 1.029 0.558 0.879 0.517 CB 1.583 59 residues pruned to eliminate duplicates Z: 57 57.624 2.363 1.162 0.537 0.893 0.518 CB 1.629 57 residues pruned to eliminate duplicates Z: 64 57.027 2.345 1.046 0.502 0.905 0.524 CB 1.651 64 residues pruned to eliminate duplicates Z: 67 61.922 2.276 1.070 0.520 0.970 0.515 CB 1.637 67 residues pruned to eliminate duplicates Z: 48 54.012 2.340 1.185 0.525 0.894 0.511 CB 1.683 48 residues pruned to eliminate duplicates Z: 57 52.244 2.334 0.909 0.530 0.946 0.464 CB 1.608 57 residues pruned to eliminate duplicates Z: 68 53.186 2.230 1.039 0.474 0.896 0.582 CB 1.639 68 residues pruned to eliminate duplicates Z: 59 59.818 2.352 1.099 0.565 0.931 0.569 CB 1.604 59 residues pruned to eliminate duplicates Z: 21 29.855 2.248 0.897 0.531 0.950 0.500 CB 1.598 21 residues pruned to eliminate duplicates Z: 88 58.171 2.295 0.932 0.479 0.897 0.529 CB 1.602 88 residues pruned to eliminate duplicates Z: 58 56.706 2.344 0.965 0.534 0.947 0.544 CB 1.663 58 residues pruned to eliminate duplicates Z: 27 20.487 2.029 0.650 0.514 0.846 0.462 CB 1.398 27 residues pruned to eliminate duplicates Z: 66 55.649 2.321 0.946 0.502 0.954 0.523 CB 1.599 66 residues pruned to eliminate duplicates Z: 23 27.746 2.181 0.885 0.553 0.864 0.591 CB 1.581 23 residues pruned to eliminate duplicates Z: 86 48.397 2.245 0.853 0.441 0.847 0.482 CB 1.583 86 residues pruned to eliminate duplicates Z: 65 57.779 2.325 1.074 0.503 0.922 0.531 CB 1.620 65 residues pruned to eliminate duplicates Z: 63 58.994 2.336 1.020 0.511 0.952 0.548 CB 1.651 63 residues pruned to eliminate duplicates Z: 22 31.635 2.219 0.891 0.573 0.952 0.571 CA 1.610 22 residues pruned to eliminate duplicates Z: 65 54.553 2.288 1.005 0.510 0.906 0.578 CB 1.625 65 residues pruned to eliminate duplicates Z: 66 56.004 2.297 1.020 0.483 0.938 0.585 CB 1.623 66 residues pruned to eliminate duplicates Z: 68 54.315 2.250 0.945 0.511 0.910 0.582 CB 1.646 68 residues pruned to eliminate duplicates Z: 75 51.811 2.203 1.032 0.460 0.905 0.459 CB 1.547 75 residues pruned to eliminate duplicates Z: 65 56.411 2.316 1.011 0.511 0.906 0.547 CB 1.652 65 residues pruned to eliminate duplicates Z: 65 51.184 2.223 1.033 0.503 0.875 0.453 CB 1.613 65 residues pruned to eliminate duplicates Z: 99 67.188 2.290 1.022 0.483 0.908 0.561 CB 1.642 98 residues pruned to eliminate duplicates Z: 8 16.322 1.946 0.929 0.691 1.000 0.857 CB 1.380 8 residues pruned to eliminate duplicates Z: 46 29.264 2.024 0.701 0.467 0.889 0.556 CB 1.474 46 residues pruned to eliminate duplicates Z: 34 21.819 1.929 0.782 0.409 0.818 0.364 CB 1.486 34 residues pruned to eliminate duplicates Z: 50 40.535 2.097 0.851 0.508 0.918 0.633 CA 1.612 50 residues pruned to eliminate duplicates Z: 26 24.811 2.055 0.750 0.538 0.880 0.640 CB 1.511 26 residues pruned to eliminate duplicates Z: 33 21.762 2.039 0.642 0.495 0.781 0.562 CB 1.479 33 residues pruned to eliminate duplicates Z: 23 31.153 2.186 0.759 0.627 0.955 0.591 CA 1.606 23 residues pruned to eliminate duplicates Z: 38 23.051 2.082 0.687 0.466 0.784 0.486 CB 1.425 38 residues pruned to eliminate duplicates Z: 27 26.717 2.152 0.632 0.556 0.885 0.615 CB 1.597 27 residues pruned to eliminate duplicates Z: 29 20.192 2.122 0.561 0.507 0.821 0.500 CB 1.392 29 residues pruned to eliminate duplicates Z: 27 24.130 2.088 0.605 0.576 0.962 0.577 CB 1.365 27 residues pruned to eliminate duplicates Z: 29 23.676 2.108 0.621 0.555 0.821 0.643 CB 1.512 29 residues pruned to eliminate duplicates Z: 28 26.591 2.214 0.528 0.563 0.889 0.593 CB 1.602 28 residues pruned to eliminate duplicates Z: 51 37.376 2.187 0.754 0.523 0.900 0.600 CB 1.497 51 residues pruned to eliminate duplicates Z: 43 21.548 2.014 0.609 0.552 0.738 0.524 CB 1.321 43 residues pruned to eliminate duplicates Z: 61 34.544 2.202 0.633 0.501 0.817 0.583 CB 1.517 61 residues pruned to eliminate duplicates Z: 65 34.388 2.213 0.655 0.448 0.828 0.547 CB 1.495 65 residues pruned to eliminate duplicates Z: 6 5.150 1.975 0.645 0.252 0.800 0.200 CB 1.179 Z: 6 9.085 1.830 0.804 0.457 1.000 0.800 CB 1.287 5 residues pruned to eliminate duplicates Z: 12 36.732 2.221 1.254 0.687 1.000 0.455 CB 1.864 12 residues pruned to eliminate duplicates Z: 34 28.244 2.138 0.869 0.540 0.818 0.576 CB 1.447 34 residues pruned to eliminate duplicates Z: 28 38.814 2.219 1.028 0.635 0.889 0.630 CB 1.646 28 residues pruned to eliminate duplicates Z: 20 20.942 1.999 0.695 0.519 0.947 0.526 CB 1.469 20 residues pruned to eliminate duplicates Z: 15 28.748 2.226 0.853 0.565 0.929 0.500 CA 1.882 15 residues pruned to eliminate duplicates Z: 22 16.877 1.959 0.994 0.501 0.810 0.476 CB 1.164 22 residues pruned to eliminate duplicates Z: 31 35.465 2.144 0.979 0.580 0.933 0.667 CB 1.514 31 residues pruned to eliminate duplicates Z: 13 31.415 2.286 1.132 0.687 0.917 0.750 CB 1.711 13 residues pruned to eliminate duplicates Z: 28 38.384 2.229 0.965 0.646 0.926 0.667 CB 1.589 28 residues pruned to eliminate duplicates Z: 30 33.640 2.146 0.846 0.607 0.966 0.621 CB 1.476 43 residues pruned to eliminate duplicates Z: 45 39.443 2.318 0.702 0.527 0.932 0.682 CB 1.575 45 residues pruned to eliminate duplicates Z: 45 33.108 2.227 0.806 0.432 0.864 0.523 CB 1.542 45 residues pruned to eliminate duplicates Z: 27 32.076 2.243 1.142 0.551 0.769 0.500 CB 1.619 27 residues pruned to eliminate duplicates Z: 44 41.400 2.304 0.897 0.490 0.884 0.581 CB 1.652 44 residues pruned to eliminate duplicates Z: 52 36.629 2.211 0.900 0.446 0.863 0.431 CB 1.496 52 residues pruned to eliminate duplicates Z: 45 42.340 2.339 0.783 0.536 0.909 0.682 CB 1.626 45 residues pruned to eliminate duplicates Z: 31 32.164 2.350 0.822 0.503 0.867 0.533 CB 1.578 31 residues pruned to eliminate duplicates Z: 31 33.355 2.319 0.896 0.550 0.900 0.500 CB 1.466 31 residues pruned to eliminate duplicates Z: 29 39.941 2.405 0.951 0.582 0.893 0.607 CB 1.665 29 residues pruned to eliminate duplicates Z: 29 35.608 2.408 0.835 0.537 0.893 0.679 CB 1.645 29 residues pruned to eliminate duplicates Z: 44 37.779 2.283 0.796 0.491 0.907 0.488 CB 1.562 44 residues pruned to eliminate duplicates Z: 30 39.064 2.260 1.032 0.609 0.897 0.483 CB 1.589 30 residues pruned to eliminate duplicates Z: 32 38.166 2.341 0.847 0.525 0.935 0.613 CB 1.653 32 residues pruned to eliminate duplicates Z: 29 40.617 2.427 0.901 0.562 0.929 0.607 CB 1.686 29 residues pruned to eliminate duplicates Z: 29 40.701 2.414 1.001 0.561 0.929 0.536 CB 1.616 29 residues pruned to eliminate duplicates Z: 43 45.552 2.342 0.956 0.566 0.881 0.548 CB 1.633 43 residues pruned to eliminate duplicates Z: 27 35.103 2.374 0.916 0.518 0.923 0.577 CB 1.610 27 residues pruned to eliminate duplicates Z: 6 5.003 1.533 1.016 0.420 0.800 0.400 N 0.984 6 residues pruned to eliminate duplicates Z: 44 40.538 2.279 1.008 0.509 0.884 0.419 CB 1.515 44 residues pruned to eliminate duplicates Z: 42 34.785 2.300 0.771 0.535 0.805 0.512 CB 1.602 42 residues pruned to eliminate duplicates Z: 27 32.564 2.344 0.756 0.446 0.923 0.462 CB 1.777 27 residues pruned to eliminate duplicates Z: 6 5.748 2.115 0.283 0.232 0.800 0.400 N 1.619 6 residues pruned to eliminate duplicates Z: 28 28.905 2.253 0.876 0.486 0.926 0.593 CB 1.441 28 residues pruned to eliminate duplicates Z: 6 6.736 1.638 0.804 0.500 1.000 0.400 CA 1.020 6 residues pruned to eliminate duplicates Z: 28 28.000 2.233 0.997 0.337 0.889 0.481 CB 1.625 28 residues pruned to eliminate duplicates Z: 45 44.479 2.320 0.863 0.546 0.932 0.568 CB 1.592 45 residues pruned to eliminate duplicates Z: 29 31.365 2.313 0.802 0.453 0.929 0.607 CB 1.607 29 residues pruned to eliminate duplicates Z: 31 36.868 2.364 0.976 0.550 0.967 0.567 CB 1.420 31 residues pruned to eliminate duplicates Z: 29 31.754 2.292 0.787 0.472 0.929 0.643 CB 1.622 29 residues pruned to eliminate duplicates Z: 18 19.675 2.286 0.679 0.349 0.882 0.529 CB 1.659 18 residues pruned to eliminate duplicates Z: 30 30.331 2.264 0.914 0.450 0.897 0.586 CB 1.527 30 residues pruned to eliminate duplicates 776 residues left after pruning, divided into chains as follows: A: 9 B: 246 C: 8 D: 11 E: 117 F: 176 G: 7 H: 202 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 38.40 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.763, Connect. = 0.736 for dens.mod. cycle 1 = 0.300, Contrast = 0.888, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 1.062, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 1.090, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 1.112, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 1.118, Connect. = 0.798 for dens.mod. cycle 6 = 0.300, Contrast = 1.125, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 1.124, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 1.124, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 1.122, Connect. = 0.800 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5323 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1043 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 51.922 2.523 1.072 0.839 1.000 0.667 CA 1.915 B: 10 50.373 2.687 1.351 0.930 1.000 1.000 CB 1.859 C: 16 45.519 2.438 1.195 0.864 0.933 0.733 CA 1.726 D: 12 33.926 2.406 0.728 0.896 1.000 0.818 CA 1.762 E: 14 40.755 2.319 1.156 0.902 1.000 0.692 CB 1.612 10 residues pruned to eliminate duplicates F: 17 42.611 2.400 1.117 0.880 0.938 0.688 CB 1.620 16 residues pruned to eliminate duplicates G: 7 11.347 1.895 0.678 0.862 0.833 0.500 N 1.284 7 residues pruned to eliminate duplicates H: 15 48.379 2.567 0.954 0.867 0.929 0.786 CB 2.030 15 residues pruned to eliminate duplicates I: 18 40.219 2.320 1.083 0.849 0.882 0.706 CA 1.696 18 residues pruned to eliminate duplicates J: 16 45.240 2.466 1.130 0.903 0.933 0.867 CB 1.698 16 residues pruned to eliminate duplicates K: 19 41.371 2.274 1.010 0.785 1.000 0.722 CA 1.660 17 residues pruned to eliminate duplicates L: 16 32.542 2.352 0.832 0.804 0.867 0.667 CA 1.725 16 residues pruned to eliminate duplicates M: 12 36.076 2.447 0.765 0.901 1.000 0.727 CA 1.799 12 residues pruned to eliminate duplicates N: 16 47.225 2.462 1.205 0.889 0.933 0.667 CB 1.733 16 residues pruned to eliminate duplicates O: 12 43.481 2.508 0.916 0.913 1.000 0.909 CA 1.930 12 residues pruned to eliminate duplicates P: 17 54.828 2.448 1.150 0.889 1.000 0.625 CA 1.875 16 residues pruned to eliminate duplicates Q: 18 21.533 2.326 0.602 0.388 0.882 0.647 CB 1.788 R: 13 39.827 2.452 0.905 0.921 1.000 0.833 CA 1.732 13 residues pruned to eliminate duplicates S: 11 29.011 2.515 1.293 0.705 0.800 0.300 CA 1.650 T: 14 32.792 2.213 0.790 0.894 1.000 0.769 CA 1.647 14 residues pruned to eliminate duplicates U: 15 37.627 2.423 0.765 0.857 0.929 0.643 CA 1.867 V: 36 31.357 2.232 0.974 0.443 0.886 0.600 CB 1.441 W: 15 29.240 2.375 0.512 0.885 0.929 0.786 CB 1.692 14 residues pruned to eliminate duplicates X: 17 43.147 2.470 0.994 0.840 0.938 0.625 CA 1.743 17 residues pruned to eliminate duplicates Y: 11 57.406 2.613 1.440 0.939 1.000 0.700 CB 1.978 13 residues pruned to eliminate duplicates Z: 9 21.494 2.285 1.264 0.664 0.750 0.375 CA 1.682 9 residues pruned to eliminate duplicates Z: 16 25.211 2.384 0.875 0.491 0.800 0.467 CA 1.837 Z: 13 23.343 2.322 0.474 0.917 0.917 0.917 CA 1.516 11 residues pruned to eliminate duplicates Z: 18 32.940 2.261 0.668 0.899 0.941 0.824 CB 1.608 Z: 9 13.774 2.300 0.721 0.705 0.625 0.375 CA 1.633 9 residues pruned to eliminate duplicates Z: 8 9.293 2.310 0.910 0.401 0.571 0.286 CB 1.547 Z: 16 39.419 2.378 0.717 0.876 1.000 0.933 CA 1.811 16 residues pruned to eliminate duplicates Z: 37 34.809 2.282 0.857 0.473 0.889 0.611 CB 1.582 Z: 12 37.663 2.406 0.958 0.905 1.000 0.818 CB 1.716 12 residues pruned to eliminate duplicates Z: 20 24.198 2.205 0.766 0.386 1.000 0.684 CB 1.609 Z: 16 44.669 2.512 0.999 0.840 0.933 0.600 CA 1.836 16 residues pruned to eliminate duplicates Z: 14 30.475 2.300 0.785 0.892 0.923 0.846 CA 1.603 Z: 18 9.927 2.022 0.383 0.275 0.824 0.471 CB 1.349 Z: 11 35.913 2.470 0.977 0.922 1.000 0.800 CA 1.635 Z: 15 23.609 2.343 0.872 0.500 0.857 0.571 CA 1.679 15 residues pruned to eliminate duplicates Z: 17 48.205 2.384 1.237 0.907 1.000 0.750 CA 1.605 17 residues pruned to eliminate duplicates Z: 12 27.506 2.333 1.100 0.702 0.909 0.455 CA 1.549 7 residues pruned to eliminate duplicates Z: 9 8.817 2.146 0.864 0.307 0.625 0.500 CB 1.546 Z: 17 46.545 2.397 1.254 0.895 0.938 0.688 CB 1.646 17 residues pruned to eliminate duplicates Z: 13 33.965 2.309 1.175 0.845 0.833 0.833 CA 1.741 13 residues pruned to eliminate duplicates Z: 15 19.648 2.054 0.997 0.460 0.929 0.786 CB 1.435 8 residues pruned to eliminate duplicates Z: 16 34.317 2.478 0.510 0.864 1.000 0.867 CA 1.736 16 residues pruned to eliminate duplicates Z: 24 15.185 2.033 0.736 0.358 0.870 0.348 CB 1.202 17 residues pruned to eliminate duplicates Z: 8 4.465 2.158 0.774 0.407 0.571 0.429 CB 0.850 Z: 12 19.691 1.938 0.966 0.846 1.000 0.818 CB 1.158 Z: 12 45.023 2.448 1.187 0.904 1.000 0.727 CB 1.806 12 residues pruned to eliminate duplicates Z: 16 36.993 2.315 0.798 0.878 0.933 0.800 CB 1.785 16 residues pruned to eliminate duplicates Z: 12 24.170 2.084 0.829 0.862 0.909 0.909 CA 1.544 Z: 16 34.034 2.388 0.644 0.875 0.933 0.867 CB 1.744 Z: 24 20.319 2.263 0.685 0.374 0.783 0.478 CB 1.625 Z: 10 21.507 2.138 0.658 0.852 1.000 0.778 CB 1.496 Z: 12 27.518 2.050 0.847 0.918 1.000 0.727 CB 1.546 10 residues pruned to eliminate duplicates Z: 15 29.105 2.060 0.840 0.903 0.929 0.714 CA 1.575 15 residues pruned to eliminate duplicates Z: 12 25.673 2.212 0.609 0.903 1.000 0.818 CA 1.550 12 residues pruned to eliminate duplicates Z: 13 35.364 2.251 1.331 0.879 0.917 0.833 CA 1.539 11 residues pruned to eliminate duplicates Z: 13 17.228 2.217 0.699 0.633 0.833 0.500 CA 1.398 12 residues pruned to eliminate duplicates Z: 16 37.459 2.416 0.936 0.847 0.933 0.533 CB 1.645 16 residues pruned to eliminate duplicates Z: 17 46.264 2.303 1.267 0.863 1.000 0.688 CA 1.626 16 residues pruned to eliminate duplicates Z: 28 15.159 2.012 0.640 0.387 0.852 0.481 CB 1.170 18 residues pruned to eliminate duplicates Z: 17 51.027 2.397 1.248 0.828 0.938 0.500 CA 1.901 17 residues pruned to eliminate duplicates Z: 15 27.029 2.197 1.020 0.859 0.857 0.643 CB 1.397 Z: 18 37.987 2.176 1.051 0.887 0.882 0.765 CA 1.687 18 residues pruned to eliminate duplicates Z: 16 9.532 2.092 0.409 0.331 0.800 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 15 32.154 2.121 0.989 0.830 0.929 0.714 CA 1.650 15 residues pruned to eliminate duplicates Z: 6 11.091 1.989 0.773 0.615 1.000 0.400 CA 1.261 Z: 17 38.199 2.316 1.073 0.827 0.875 0.688 CA 1.713 18 residues pruned to eliminate duplicates Z: 14 33.337 2.281 0.992 0.913 0.923 0.769 CA 1.561 14 residues pruned to eliminate duplicates Z: 13 42.381 2.358 1.296 0.927 0.917 0.750 CB 1.728 13 residues pruned to eliminate duplicates Z: 14 30.911 2.245 1.116 0.909 0.846 0.769 CA 1.514 14 residues pruned to eliminate duplicates Z: 18 30.345 2.139 0.831 0.859 0.824 0.471 CB 1.678 18 residues pruned to eliminate duplicates Z: 10 37.434 2.556 1.240 0.744 0.889 0.444 CA 1.972 Z: 17 37.942 2.340 0.977 0.881 0.875 0.688 CA 1.697 17 residues pruned to eliminate duplicates Z: 17 33.654 2.214 0.801 0.866 0.938 0.812 CB 1.647 17 residues pruned to eliminate duplicates Z: 13 36.266 2.240 1.269 0.865 1.000 0.500 CA 1.510 13 residues pruned to eliminate duplicates Z: 6 16.935 2.014 0.664 0.788 1.000 0.400 CA 1.755 6 residues pruned to eliminate duplicates Z: 6 6.351 1.580 0.528 0.756 0.800 0.800 N 1.172 Z: 15 34.870 2.324 0.763 0.902 1.000 0.786 CA 1.623 Z: 33 24.026 2.155 0.814 0.371 0.812 0.469 CB 1.534 29 residues pruned to eliminate duplicates Z: 16 18.828 1.901 1.077 0.548 0.800 0.733 N 1.469 Z: 39 45.967 2.216 0.905 0.581 0.947 0.553 CA 1.725 23 residues pruned to eliminate duplicates Z: 16 41.345 2.335 0.981 0.899 1.000 0.800 CA 1.650 16 residues pruned to eliminate duplicates Z: 9 25.031 2.469 1.046 0.656 0.875 0.375 CA 1.733 9 residues pruned to eliminate duplicates Z: 12 36.126 2.382 0.816 0.921 1.000 1.000 CA 1.772 12 residues pruned to eliminate duplicates Z: 17 30.985 2.326 0.776 0.823 0.875 0.688 CA 1.619 18 residues pruned to eliminate duplicates Z: 13 26.559 2.010 0.941 0.851 1.000 0.750 CB 1.454 12 residues pruned to eliminate duplicates Z: 14 39.247 2.167 1.361 0.893 0.923 0.615 CB 1.654 13 residues pruned to eliminate duplicates Z: 19 30.552 2.363 1.141 0.473 0.889 0.500 CB 1.646 19 residues pruned to eliminate duplicates Z: 45 49.793 2.429 1.139 0.513 0.886 0.591 CB 1.609 27 residues pruned to eliminate duplicates Z: 12 38.330 2.425 0.999 0.912 1.000 0.818 CA 1.689 12 residues pruned to eliminate duplicates Z: 18 18.317 2.196 0.847 0.405 0.882 0.588 CB 1.372 18 residues pruned to eliminate duplicates Z: 8 14.320 2.394 0.924 0.661 0.714 0.429 CA 1.418 8 residues pruned to eliminate duplicates Z: 13 31.926 2.298 1.154 0.888 0.833 0.833 CA 1.610 13 residues pruned to eliminate duplicates Z: 18 35.139 2.191 1.089 0.878 0.882 0.824 CA 1.531 18 residues pruned to eliminate duplicates Z: 14 33.933 2.364 0.848 0.870 1.000 0.615 CA 1.573 14 residues pruned to eliminate duplicates Z: 18 27.503 2.266 0.948 0.550 0.941 0.412 CB 1.530 Z: 12 23.024 2.041 0.625 0.874 1.000 1.000 CB 1.522 12 residues pruned to eliminate duplicates Z: 13 32.920 2.261 1.054 0.899 1.000 0.750 CA 1.462 13 residues pruned to eliminate duplicates Z: 11 45.759 2.426 1.431 0.895 1.000 0.300 CA 1.759 12 residues pruned to eliminate duplicates Z: 16 28.091 2.136 1.047 0.866 0.867 0.667 CB 1.401 17 residues pruned to eliminate duplicates Z: 88 55.261 2.260 0.922 0.489 0.851 0.540 CB 1.621 46 residues pruned to eliminate duplicates Z: 15 27.886 1.946 0.964 0.867 0.929 0.714 CA 1.536 14 residues pruned to eliminate duplicates Z: 12 41.545 2.308 1.439 0.918 0.909 0.455 CB 1.727 12 residues pruned to eliminate duplicates Z: 86 51.037 2.328 0.853 0.462 0.859 0.506 CB 1.554 38 residues pruned to eliminate duplicates Z: 14 33.909 2.232 0.950 0.888 0.923 0.692 CB 1.687 14 residues pruned to eliminate duplicates Z: 16 33.625 2.123 1.129 0.894 1.000 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 12 31.037 2.382 1.316 0.748 1.000 0.636 CA 1.360 12 residues pruned to eliminate duplicates Z: 14 26.680 2.204 0.522 0.839 1.000 0.846 CA 1.648 14 residues pruned to eliminate duplicates Z: 12 42.758 2.342 1.601 0.900 0.909 0.818 CB 1.663 12 residues pruned to eliminate duplicates Z: 17 45.389 2.323 1.020 0.857 1.000 0.750 CB 1.782 17 residues pruned to eliminate duplicates Z: 83 69.634 2.363 0.996 0.524 0.902 0.585 CB 1.764 86 residues pruned to eliminate duplicates Z: 11 50.999 2.594 1.562 0.923 1.000 0.600 CB 1.706 11 residues pruned to eliminate duplicates Z: 6 12.793 1.826 0.630 0.867 1.000 1.000 CA 1.406 6 residues pruned to eliminate duplicates Z: 11 22.762 2.149 0.861 0.897 1.000 1.000 CA 1.289 Z: 29 28.106 2.285 0.945 0.393 0.821 0.464 CB 1.629 29 residues pruned to eliminate duplicates Z: 14 30.065 2.277 0.962 0.873 0.923 0.769 CA 1.473 14 residues pruned to eliminate duplicates Z: 7 6.975 1.728 0.709 0.575 0.833 0.667 N 1.076 Z: 30 26.818 2.177 0.876 0.416 0.931 0.655 CB 1.430 30 residues pruned to eliminate duplicates Z: 14 31.811 2.149 0.999 0.899 1.000 0.692 CB 1.468 13 residues pruned to eliminate duplicates Z: 15 32.882 2.286 0.897 0.898 1.000 0.714 CA 1.449 15 residues pruned to eliminate duplicates Z: 12 18.133 2.321 0.740 0.599 0.727 0.545 CA 1.693 14 residues pruned to eliminate duplicates Z: 10 17.116 1.876 0.879 0.778 1.000 0.667 CA 1.266 Z: 12 24.054 2.146 0.621 0.904 0.909 0.909 CB 1.633 12 residues pruned to eliminate duplicates Z: 17 38.713 2.295 1.395 0.603 0.938 0.625 CB 1.702 17 residues pruned to eliminate duplicates Z: 16 47.939 2.449 1.211 0.883 0.933 0.733 CA 1.771 16 residues pruned to eliminate duplicates Z: 6 11.220 1.843 0.764 0.738 1.000 0.800 CA 1.246 Z: 11 12.686 2.201 0.825 0.716 0.600 0.400 CB 1.369 11 residues pruned to eliminate duplicates Z: 13 19.923 1.799 0.840 0.912 1.000 0.917 CB 1.231 14 residues pruned to eliminate duplicates Z: 17 33.102 2.057 1.054 0.873 1.000 0.750 CB 1.427 17 residues pruned to eliminate duplicates Z: 6 6.954 2.268 0.128 0.723 0.800 0.800 CA 1.242 6 residues pruned to eliminate duplicates Z: 10 10.768 2.481 0.050 0.373 0.889 0.333 CB 1.777 10 residues pruned to eliminate duplicates Z: 40 35.199 2.297 0.792 0.470 0.846 0.487 CA 1.669 42 residues pruned to eliminate duplicates Z: 6 14.745 1.943 0.885 0.793 1.000 0.400 CA 1.392 6 residues pruned to eliminate duplicates Z: 22 15.582 2.024 0.691 0.395 0.905 0.381 CB 1.227 Z: 12 29.624 2.228 0.757 0.917 1.000 0.909 CB 1.611 12 residues pruned to eliminate duplicates Z: 8 13.368 1.970 0.748 0.542 1.000 0.571 CB 1.408 Z: 15 25.068 2.279 0.911 0.486 0.929 0.643 CB 1.681 15 residues pruned to eliminate duplicates Z: 77 49.908 2.335 0.833 0.447 0.816 0.526 CB 1.731 88 residues pruned to eliminate duplicates Z: 59 52.637 2.372 0.998 0.482 0.845 0.534 CB 1.759 59 residues pruned to eliminate duplicates Z: 22 15.005 2.116 0.837 0.400 0.857 0.619 CB 1.091 22 residues pruned to eliminate duplicates Z: 124 84.698 2.374 1.017 0.535 0.911 0.520 CB 1.692 103 residues pruned to eliminate duplicates Z: 16 49.211 2.467 1.025 0.880 1.000 0.800 CA 1.843 16 residues pruned to eliminate duplicates Z: 86 54.142 2.251 0.967 0.473 0.882 0.482 CB 1.546 86 residues pruned to eliminate duplicates Z: 13 35.230 2.274 1.147 0.850 1.000 0.833 CA 1.543 13 residues pruned to eliminate duplicates Z: 42 31.466 2.216 0.769 0.430 0.854 0.537 CB 1.578 42 residues pruned to eliminate duplicates Z: 44 43.874 2.327 0.858 0.549 0.907 0.512 CB 1.627 44 residues pruned to eliminate duplicates Z: 10 12.060 1.970 0.594 0.590 0.889 0.778 CB 1.322 10 residues pruned to eliminate duplicates Z: 19 35.064 2.063 0.981 0.797 0.944 0.500 CB 1.651 19 residues pruned to eliminate duplicates Z: 17 15.589 2.161 0.791 0.447 0.812 0.562 CB 1.309 Z: 17 15.925 2.307 0.610 0.346 0.875 0.500 CB 1.448 17 residues pruned to eliminate duplicates Z: 16 47.581 2.377 1.155 0.870 1.000 0.533 CB 1.751 16 residues pruned to eliminate duplicates Z: 17 36.238 2.271 0.819 0.872 0.938 0.688 CB 1.704 17 residues pruned to eliminate duplicates Z: 30 21.286 2.194 0.771 0.364 0.759 0.483 CB 1.553 30 residues pruned to eliminate duplicates Z: 9 17.478 1.972 0.970 0.865 0.875 0.500 CA 1.331 9 residues pruned to eliminate duplicates Z: 12 21.660 2.434 0.840 0.608 0.818 0.455 CA 1.609 12 residues pruned to eliminate duplicates Z: 15 32.305 2.273 0.813 0.893 1.000 0.786 CA 1.504 15 residues pruned to eliminate duplicates Z: 19 32.785 2.100 0.869 0.833 1.000 0.611 CA 1.477 19 residues pruned to eliminate duplicates Z: 6 14.135 2.118 0.423 0.847 1.000 0.800 CA 1.557 6 residues pruned to eliminate duplicates Z: 13 13.582 2.131 0.503 0.464 0.917 0.750 CB 1.385 14 residues pruned to eliminate duplicates Z: 17 44.897 2.469 1.071 0.864 0.938 0.625 CA 1.717 17 residues pruned to eliminate duplicates Z: 23 25.501 2.201 0.744 0.520 0.864 0.500 CB 1.608 22 residues pruned to eliminate duplicates Z: 13 22.545 2.198 1.340 0.624 0.750 0.250 CA 1.501 13 residues pruned to eliminate duplicates Z: 26 23.647 2.144 1.035 0.420 0.840 0.400 CB 1.403 26 residues pruned to eliminate duplicates Z: 16 45.499 2.402 1.049 0.856 0.933 0.467 CB 1.886 16 residues pruned to eliminate duplicates Z: 17 37.333 2.432 0.959 0.806 0.875 0.375 CB 1.715 17 residues pruned to eliminate duplicates Z: 17 19.175 2.264 0.589 0.416 0.938 0.562 CB 1.552 17 residues pruned to eliminate duplicates Z: 24 18.849 2.184 0.745 0.400 0.826 0.435 CB 1.388 Z: 61 61.985 2.369 1.176 0.540 0.883 0.467 CB 1.690 61 residues pruned to eliminate duplicates Z: 16 26.766 2.326 0.648 0.828 0.800 0.733 CA 1.697 16 residues pruned to eliminate duplicates Z: 27 23.857 2.203 0.702 0.448 0.846 0.538 CB 1.555 31 residues pruned to eliminate duplicates Z: 13 50.945 2.489 1.102 0.914 1.000 0.750 CA 1.988 13 residues pruned to eliminate duplicates Z: 15 28.548 2.177 0.906 0.904 0.929 0.571 CB 1.410 Z: 16 28.304 2.128 1.012 0.903 0.867 0.600 CB 1.404 15 residues pruned to eliminate duplicates Z: 10 15.547 1.939 1.081 0.681 0.778 0.444 CA 1.398 10 residues pruned to eliminate duplicates Z: 31 30.324 2.223 0.692 0.521 0.867 0.500 CB 1.664 31 residues pruned to eliminate duplicates Z: 11 24.920 2.019 1.138 0.862 1.000 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 22 31.494 2.411 1.020 0.403 0.905 0.524 CB 1.728 14 residues pruned to eliminate duplicates Z: 30 33.233 2.153 0.871 0.537 0.897 0.586 CA 1.648 30 residues pruned to eliminate duplicates Z: 17 28.106 2.031 0.872 0.843 0.938 0.625 CB 1.468 16 residues pruned to eliminate duplicates Z: 12 29.853 2.111 0.940 0.855 1.000 0.636 CB 1.622 12 residues pruned to eliminate duplicates Z: 11 6.473 1.853 0.470 0.419 0.800 0.500 CB 1.022 Z: 7 9.438 1.656 0.575 0.679 1.000 0.667 CB 1.253 7 residues pruned to eliminate duplicates Z: 89 71.961 2.372 0.983 0.537 0.909 0.568 CB 1.730 89 residues pruned to eliminate duplicates Z: 66 51.384 2.301 1.024 0.510 0.877 0.538 CB 1.545 75 residues pruned to eliminate duplicates Z: 90 68.306 2.391 0.957 0.521 0.910 0.517 CB 1.666 87 residues pruned to eliminate duplicates Z: 8 13.786 2.184 0.987 0.796 0.571 0.429 CA 1.621 8 residues pruned to eliminate duplicates Z: 31 44.992 2.355 0.993 0.654 0.967 0.533 CB 1.568 31 residues pruned to eliminate duplicates Z: 7 8.924 1.896 0.885 0.415 1.000 0.667 N 1.113 7 residues pruned to eliminate duplicates Z: 13 12.941 2.025 0.711 0.368 1.000 0.417 CB 1.242 Z: 17 33.271 2.297 0.854 0.859 0.875 0.750 CA 1.643 17 residues pruned to eliminate duplicates Z: 15 31.740 2.139 0.827 0.904 1.000 0.786 CB 1.546 15 residues pruned to eliminate duplicates Z: 9 6.820 1.731 0.717 0.355 0.750 0.625 O 1.264 Z: 13 11.118 1.971 0.884 0.379 0.750 0.500 CB 1.311 13 residues pruned to eliminate duplicates Z: 17 16.459 2.396 0.598 0.343 0.812 0.438 CB 1.569 17 residues pruned to eliminate duplicates Z: 13 15.635 2.115 0.828 0.671 0.667 0.417 CA 1.496 13 residues pruned to eliminate duplicates Z: 80 63.891 2.359 1.021 0.530 0.886 0.468 CB 1.652 81 residues pruned to eliminate duplicates Z: 14 36.131 2.137 1.106 0.923 1.000 0.923 CB 1.564 14 residues pruned to eliminate duplicates Z: 13 24.357 1.971 0.979 0.863 1.000 0.833 CB 1.322 13 residues pruned to eliminate duplicates Z: 23 22.443 2.239 0.847 0.436 0.818 0.545 CB 1.510 23 residues pruned to eliminate duplicates Z: 20 15.728 2.182 0.591 0.388 0.842 0.526 CB 1.391 20 residues pruned to eliminate duplicates Z: 10 17.189 2.159 0.671 0.866 1.000 0.889 CA 1.163 10 residues pruned to eliminate duplicates Z: 13 20.591 1.897 0.950 0.855 0.917 0.583 CB 1.294 13 residues pruned to eliminate duplicates Z: 16 41.345 2.349 1.048 0.866 0.933 0.800 CA 1.740 16 residues pruned to eliminate duplicates Z: 20 19.424 2.152 0.718 0.433 0.842 0.526 CB 1.534 Z: 14 28.998 2.137 1.120 0.844 0.923 0.846 CB 1.430 14 residues pruned to eliminate duplicates Z: 9 11.686 1.920 0.494 0.753 0.750 0.500 CA 1.532 9 residues pruned to eliminate duplicates Z: 27 29.092 2.255 0.963 0.485 0.846 0.577 CB 1.547 27 residues pruned to eliminate duplicates Z: 17 49.689 2.331 1.182 0.887 1.000 0.500 CB 1.760 17 residues pruned to eliminate duplicates Z: 18 51.452 2.312 1.296 0.869 0.941 0.471 CA 1.825 18 residues pruned to eliminate duplicates Z: 17 36.884 2.300 1.244 0.887 0.875 0.625 CB 1.472 17 residues pruned to eliminate duplicates Z: 12 39.144 2.423 1.308 0.830 0.909 0.727 CB 1.746 12 residues pruned to eliminate duplicates Z: 76 57.458 2.394 1.109 0.434 0.840 0.480 CB 1.675 72 residues pruned to eliminate duplicates Z: 54 49.118 2.388 1.001 0.441 0.868 0.472 CB 1.728 54 residues pruned to eliminate duplicates Z: 60 41.344 2.287 0.794 0.447 0.881 0.559 CB 1.572 57 residues pruned to eliminate duplicates Z: 17 41.247 2.366 1.058 0.887 0.938 0.812 CB 1.628 17 residues pruned to eliminate duplicates Z: 6 11.286 1.901 0.566 0.655 1.000 0.400 CA 1.468 6 residues pruned to eliminate duplicates Z: 13 39.436 2.391 1.182 0.833 1.000 0.750 CB 1.638 13 residues pruned to eliminate duplicates Z: 13 19.983 1.898 0.732 0.904 0.917 0.833 CB 1.363 13 residues pruned to eliminate duplicates Z: 13 8.620 1.918 0.429 0.348 0.833 0.583 CB 1.285 Z: 7 6.584 1.986 -0.024 0.713 0.833 0.833 C 1.371 Z: 16 52.107 2.401 1.173 0.872 1.000 0.467 CA 1.880 16 residues pruned to eliminate duplicates Z: 87 53.028 2.341 0.732 0.486 0.884 0.570 CB 1.618 87 residues pruned to eliminate duplicates Z: 14 35.928 2.287 1.240 0.906 1.000 0.462 CB 1.383 14 residues pruned to eliminate duplicates Z: 40 33.718 2.249 0.815 0.467 0.872 0.538 CB 1.569 40 residues pruned to eliminate duplicates Z: 23 18.815 2.244 0.810 0.418 0.727 0.500 CB 1.479 23 residues pruned to eliminate duplicates Z: 20 16.497 2.131 0.574 0.421 0.842 0.579 CB 1.455 20 residues pruned to eliminate duplicates Z: 16 42.267 2.447 0.846 0.865 1.000 0.867 CA 1.770 16 residues pruned to eliminate duplicates Z: 29 24.678 2.049 0.985 0.439 0.857 0.464 CB 1.424 29 residues pruned to eliminate duplicates Z: 7 7.801 1.784 0.746 0.530 0.833 0.667 O 1.191 7 residues pruned to eliminate duplicates Z: 11 22.310 2.032 0.949 0.898 1.000 1.000 CB 1.275 11 residues pruned to eliminate duplicates Z: 16 26.229 2.274 0.509 0.847 0.867 0.733 CA 1.691 16 residues pruned to eliminate duplicates Z: 8 21.161 2.168 0.930 0.835 1.000 0.714 CA 1.432 8 residues pruned to eliminate duplicates Z: 6 3.179 1.765 0.783 0.433 0.600 0.600 CB 0.807 Z: 6 6.362 1.823 0.400 0.769 0.600 0.600 CA 1.464 6 residues pruned to eliminate duplicates Z: 22 24.459 2.293 0.751 0.397 0.857 0.524 CB 1.728 22 residues pruned to eliminate duplicates Z: 7 9.778 1.962 0.698 0.650 1.000 0.833 CB 1.042 Z: 11 25.555 2.019 0.918 0.925 1.000 0.900 CB 1.464 24 residues pruned to eliminate duplicates Z: 24 34.003 2.235 0.987 0.657 0.957 0.652 CB 1.442 17 residues pruned to eliminate duplicates Z: 9 17.147 2.104 0.832 0.725 0.750 0.375 CA 1.711 9 residues pruned to eliminate duplicates Z: 22 21.915 2.129 0.904 0.585 0.857 0.571 CB 1.269 23 residues pruned to eliminate duplicates Z: 13 18.874 1.723 0.756 0.771 1.000 0.667 CB 1.417 13 residues pruned to eliminate duplicates Z: 14 39.866 2.172 1.461 0.895 0.923 0.692 CB 1.607 14 residues pruned to eliminate duplicates Z: 20 28.967 2.028 0.811 0.777 0.947 0.632 CA 1.495 20 residues pruned to eliminate duplicates Z: 12 24.634 1.997 0.784 0.836 1.000 0.636 CB 1.561 12 residues pruned to eliminate duplicates Z: 70 47.237 2.267 0.948 0.470 0.812 0.594 CB 1.635 70 residues pruned to eliminate duplicates Z: 38 42.465 2.261 0.887 0.580 0.919 0.514 CB 1.649 40 residues pruned to eliminate duplicates Z: 35 24.035 2.121 0.795 0.357 0.765 0.412 CB 1.652 34 residues pruned to eliminate duplicates Z: 11 7.251 1.775 0.544 0.341 0.700 0.400 O 1.421 Z: 15 33.463 2.173 1.042 0.913 0.929 0.643 CA 1.536 15 residues pruned to eliminate duplicates Z: 89 79.910 2.382 1.146 0.539 0.920 0.534 CB 1.743 89 residues pruned to eliminate duplicates Z: 49 44.641 2.317 0.972 0.529 0.833 0.396 CB 1.645 49 residues pruned to eliminate duplicates Z: 16 39.090 2.380 0.743 0.886 1.000 1.000 CA 1.756 16 residues pruned to eliminate duplicates Z: 16 36.225 2.387 0.701 0.839 0.933 0.600 CB 1.844 16 residues pruned to eliminate duplicates Z: 9 9.282 1.879 0.593 0.341 1.000 0.500 CB 1.303 Z: 13 25.379 2.140 0.953 0.705 0.833 0.333 N 1.745 13 residues pruned to eliminate duplicates Z: 50 39.008 2.141 0.796 0.569 0.878 0.510 CB 1.546 26 residues pruned to eliminate duplicates Z: 11 19.399 2.407 0.813 0.666 0.800 0.200 CB 1.507 11 residues pruned to eliminate duplicates Z: 33 26.082 2.189 0.678 0.470 0.906 0.531 CB 1.428 32 residues pruned to eliminate duplicates Z: 13 10.109 1.893 0.635 0.346 0.833 0.333 CB 1.338 13 residues pruned to eliminate duplicates Z: 13 14.040 2.065 0.781 0.325 0.833 0.500 CB 1.604 13 residues pruned to eliminate duplicates Z: 90 60.981 2.309 1.010 0.498 0.876 0.551 CB 1.591 90 residues pruned to eliminate duplicates Z: 12 8.313 1.900 0.264 0.434 0.818 0.455 CB 1.366 12 residues pruned to eliminate duplicates Z: 15 12.515 1.942 0.710 0.423 0.714 0.429 CB 1.527 15 residues pruned to eliminate duplicates Z: 15 24.838 2.231 0.629 0.860 0.857 0.786 CB 1.566 15 residues pruned to eliminate duplicates Z: 57 66.743 2.408 1.067 0.518 0.964 0.518 CB 1.825 84 residues pruned to eliminate duplicates Z: 22 25.443 2.132 1.134 0.385 0.810 0.524 CB 1.702 22 residues pruned to eliminate duplicates Z: 18 22.108 2.269 0.567 0.408 1.000 0.529 CB 1.660 18 residues pruned to eliminate duplicates Z: 13 29.479 2.020 1.234 0.906 1.000 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 17 32.271 2.147 0.770 0.860 0.938 0.688 CB 1.665 17 residues pruned to eliminate duplicates Z: 11 10.547 1.981 0.215 0.543 1.000 0.600 CB 1.329 Z: 36 44.324 2.369 0.935 0.569 0.971 0.571 CB 1.574 36 residues pruned to eliminate duplicates Z: 24 30.385 2.254 1.007 0.408 0.913 0.478 CB 1.690 24 residues pruned to eliminate duplicates Z: 23 16.725 2.334 0.646 0.403 0.727 0.364 CB 1.413 23 residues pruned to eliminate duplicates Z: 12 43.919 2.465 1.132 0.906 1.000 0.545 CA 1.792 12 residues pruned to eliminate duplicates Z: 59 36.177 2.141 0.662 0.487 0.897 0.586 CB 1.509 59 residues pruned to eliminate duplicates Z: 16 18.552 2.189 0.575 0.438 0.933 0.467 CB 1.588 16 residues pruned to eliminate duplicates Z: 39 42.175 2.365 0.951 0.534 0.842 0.553 CB 1.703 39 residues pruned to eliminate duplicates Z: 25 30.074 2.192 0.847 0.526 0.875 0.583 CB 1.688 26 residues pruned to eliminate duplicates Z: 6 2.315 1.925 0.314 0.100 0.600 0.200 CB 1.137 Z: 10 12.529 1.782 0.661 0.796 0.778 0.778 CB 1.400 10 residues pruned to eliminate duplicates Z: 87 55.414 2.315 0.854 0.483 0.872 0.535 CB 1.625 87 residues pruned to eliminate duplicates Z: 21 23.835 2.224 0.874 0.447 0.800 0.650 CB 1.688 21 residues pruned to eliminate duplicates Z: 17 35.634 2.376 0.842 0.821 0.875 0.562 CB 1.761 17 residues pruned to eliminate duplicates Z: 16 29.209 2.186 0.812 0.918 1.000 0.667 CB 1.342 16 residues pruned to eliminate duplicates Z: 23 29.735 2.295 1.022 0.455 0.818 0.455 CA 1.748 23 residues pruned to eliminate duplicates Z: 6 9.567 1.978 0.159 0.736 1.000 1.000 CB 1.508 6 residues pruned to eliminate duplicates Z: 12 27.798 2.063 1.168 0.854 0.909 0.818 CB 1.523 12 residues pruned to eliminate duplicates Z: 7 6.164 1.911 0.471 0.546 0.667 0.667 N 1.283 Z: 13 28.043 1.978 1.076 0.872 1.000 0.667 CB 1.436 13 residues pruned to eliminate duplicates Z: 91 65.863 2.389 0.871 0.526 0.856 0.533 CB 1.769 91 residues pruned to eliminate duplicates Z: 19 21.412 2.142 0.752 0.530 0.889 0.389 CB 1.470 19 residues pruned to eliminate duplicates Z: 16 15.966 2.091 1.162 0.454 0.800 0.467 CB 1.195 16 residues pruned to eliminate duplicates Z: 11 5.672 1.885 0.174 0.319 0.800 0.300 CB 1.237 11 residues pruned to eliminate duplicates Z: 6 13.568 2.170 0.791 0.739 1.000 0.400 CA 1.260 6 residues pruned to eliminate duplicates Z: 12 14.618 1.861 0.919 0.556 0.909 0.455 CB 1.285 9 residues pruned to eliminate duplicates Z: 17 32.419 2.158 0.649 0.842 1.000 0.812 CB 1.697 17 residues pruned to eliminate duplicates Z: 11 9.936 2.187 0.598 0.349 0.900 0.500 CB 1.176 11 residues pruned to eliminate duplicates Z: 12 18.142 1.941 1.313 0.861 0.909 0.636 CB 0.985 12 residues pruned to eliminate duplicates Z: 35 34.555 2.244 0.826 0.527 0.882 0.529 CB 1.595 35 residues pruned to eliminate duplicates Z: 12 25.061 1.955 1.142 0.886 1.000 0.727 CB 1.302 15 residues pruned to eliminate duplicates Z: 10 10.759 1.709 0.528 0.828 1.000 0.778 CA 1.034 10 residues pruned to eliminate duplicates Z: 7 10.539 1.923 0.574 0.475 1.000 0.667 O 1.458 Z: 55 50.863 2.298 0.895 0.549 0.907 0.593 CB 1.670 55 residues pruned to eliminate duplicates Z: 19 24.329 2.273 0.714 0.336 0.944 0.444 CB 1.864 20 residues pruned to eliminate duplicates Z: 9 12.664 1.877 0.567 0.850 0.875 0.500 CA 1.289 9 residues pruned to eliminate duplicates Z: 15 23.252 1.869 0.742 0.893 0.929 0.786 CA 1.476 15 residues pruned to eliminate duplicates Z: 15 12.766 2.058 0.571 0.413 0.857 0.571 CA 1.348 15 residues pruned to eliminate duplicates Z: 17 17.541 2.152 0.596 0.446 0.875 0.625 CB 1.543 15 residues pruned to eliminate duplicates Z: 15 23.587 2.205 0.631 0.802 0.929 0.857 CB 1.451 15 residues pruned to eliminate duplicates Z: 10 7.476 2.180 0.999 0.267 0.556 0.333 CB 1.341 10 residues pruned to eliminate duplicates Z: 14 34.186 2.275 0.965 0.913 0.923 0.846 CA 1.626 14 residues pruned to eliminate duplicates Z: 18 26.100 2.142 0.869 0.546 0.941 0.588 CB 1.607 Z: 35 21.828 2.117 0.778 0.371 0.794 0.500 CB 1.439 35 residues pruned to eliminate duplicates Z: 17 43.251 2.272 1.011 0.878 1.000 0.750 CA 1.717 17 residues pruned to eliminate duplicates Z: 18 35.551 2.181 1.204 0.879 0.882 0.765 CA 1.474 18 residues pruned to eliminate duplicates Z: 32 24.161 2.065 0.768 0.538 0.806 0.548 CB 1.420 32 residues pruned to eliminate duplicates Z: 7 10.917 1.963 0.954 0.729 0.833 0.500 CB 1.134 7 residues pruned to eliminate duplicates Z: 39 52.452 2.350 1.205 0.554 0.921 0.684 CB 1.691 39 residues pruned to eliminate duplicates Z: 64 47.726 2.284 0.895 0.516 0.873 0.492 CB 1.566 64 residues pruned to eliminate duplicates Z: 21 28.239 2.365 0.809 0.464 0.950 0.500 CB 1.612 18 residues pruned to eliminate duplicates Z: 51 44.587 2.287 0.937 0.531 0.860 0.660 CB 1.606 51 residues pruned to eliminate duplicates Z: 47 45.133 2.386 0.839 0.540 0.870 0.543 CB 1.676 47 residues pruned to eliminate duplicates Z: 22 20.339 2.183 0.782 0.493 0.857 0.476 CB 1.340 10 residues pruned to eliminate duplicates Z: 29 28.043 2.148 0.784 0.465 0.929 0.571 CB 1.544 42 residues pruned to eliminate duplicates Z: 24 15.053 2.076 0.567 0.428 0.913 0.435 CB 1.138 24 residues pruned to eliminate duplicates Z: 45 35.368 2.339 0.905 0.434 0.841 0.568 CB 1.524 45 residues pruned to eliminate duplicates Z: 13 44.511 2.293 1.625 0.911 0.917 0.750 CA 1.650 13 residues pruned to eliminate duplicates Z: 12 23.041 2.126 1.126 0.718 0.818 0.455 CB 1.543 12 residues pruned to eliminate duplicates Z: 61 50.419 2.362 0.873 0.518 0.883 0.500 CB 1.637 61 residues pruned to eliminate duplicates Z: 7 7.005 1.800 0.055 0.816 1.000 0.833 CA 1.144 7 residues pruned to eliminate duplicates Z: 11 34.439 2.161 1.115 0.871 1.000 0.800 CA 1.737 11 residues pruned to eliminate duplicates Z: 13 23.375 2.046 0.907 0.842 0.917 0.833 CB 1.405 13 residues pruned to eliminate duplicates Z: 6 7.801 1.815 0.659 0.471 0.800 0.400 N 1.492 Z: 99 54.816 2.264 0.836 0.462 0.857 0.520 CB 1.616 99 residues pruned to eliminate duplicates Z: 7 3.280 1.843 0.106 0.249 0.667 0.333 CB 1.316 Z: 13 30.473 2.218 0.871 0.906 1.000 0.833 CA 1.508 13 residues pruned to eliminate duplicates Z: 70 62.122 2.365 1.026 0.532 0.884 0.580 CB 1.711 70 residues pruned to eliminate duplicates Z: 16 38.451 2.306 0.943 0.826 0.933 0.600 CA 1.791 16 residues pruned to eliminate duplicates Z: 13 7.638 1.870 0.937 0.234 0.833 0.417 CB 0.995 13 residues pruned to eliminate duplicates Z: 17 32.690 2.259 0.857 0.822 0.875 0.500 CB 1.685 17 residues pruned to eliminate duplicates Z: 8 16.417 1.900 0.935 0.829 0.857 0.714 CB 1.482 9 residues pruned to eliminate duplicates Z: 40 36.942 2.131 0.825 0.608 0.949 0.615 CB 1.447 27 residues pruned to eliminate duplicates Z: 107 86.664 2.396 1.064 0.562 0.906 0.566 CB 1.770 107 residues pruned to eliminate duplicates Z: 13 17.600 1.873 0.664 0.888 1.000 0.917 CA 1.175 13 residues pruned to eliminate duplicates Z: 7 8.438 1.926 0.837 0.401 0.833 0.667 CA 1.296 7 residues pruned to eliminate duplicates Z: 14 12.579 2.053 0.708 0.311 1.000 0.462 CB 1.226 20 residues pruned to eliminate duplicates Z: 9 10.455 2.112 0.748 0.476 0.625 0.375 N 1.641 9 residues pruned to eliminate duplicates Z: 26 27.792 2.217 0.882 0.456 0.880 0.640 CB 1.583 26 residues pruned to eliminate duplicates Z: 17 49.869 2.417 1.199 0.874 0.938 0.625 CA 1.821 17 residues pruned to eliminate duplicates Z: 16 33.263 2.288 0.790 0.896 0.933 0.933 CA 1.609 16 residues pruned to eliminate duplicates Z: 45 48.706 2.429 1.051 0.529 0.909 0.682 CB 1.575 46 residues pruned to eliminate duplicates Z: 16 37.115 2.471 0.666 0.842 0.933 0.667 CA 1.859 16 residues pruned to eliminate duplicates Z: 42 40.630 2.332 1.004 0.525 0.805 0.463 CB 1.646 42 residues pruned to eliminate duplicates Z: 17 45.599 2.296 1.076 0.891 1.000 0.500 CA 1.720 17 residues pruned to eliminate duplicates Z: 42 30.498 2.121 0.682 0.588 0.902 0.561 CB 1.359 30 residues pruned to eliminate duplicates Z: 15 32.539 2.343 0.801 0.890 0.929 0.786 CA 1.597 15 residues pruned to eliminate duplicates Z: 17 14.968 2.177 0.593 0.333 0.875 0.250 CA 1.481 17 residues pruned to eliminate duplicates Z: 12 25.180 1.964 1.072 0.866 1.000 0.818 CA 1.366 12 residues pruned to eliminate duplicates Z: 7 7.164 2.050 0.883 0.569 0.667 0.667 CB 1.063 Z: 16 18.963 2.039 0.826 0.677 0.933 0.733 CB 1.197 16 residues pruned to eliminate duplicates Z: 7 12.455 1.780 0.467 0.835 1.000 0.667 CA 1.459 7 residues pruned to eliminate duplicates Z: 12 33.339 2.370 0.701 0.909 1.000 0.909 CA 1.769 12 residues pruned to eliminate duplicates Z: 6 4.447 1.859 0.318 0.442 0.800 0.400 CB 1.077 Z: 27 13.833 2.092 0.439 0.320 0.885 0.615 CB 1.243 31 residues pruned to eliminate duplicates Z: 16 32.256 2.117 0.951 0.875 0.933 0.667 CA 1.572 15 residues pruned to eliminate duplicates Z: 25 27.775 2.210 0.948 0.449 0.875 0.583 CB 1.587 25 residues pruned to eliminate duplicates Z: 21 23.891 2.178 1.201 0.443 0.950 0.600 CB 1.244 21 residues pruned to eliminate duplicates Z: 16 23.087 2.092 0.713 0.820 0.933 0.533 CA 1.350 16 residues pruned to eliminate duplicates Z: 10 25.926 2.176 1.012 0.908 1.000 1.000 CA 1.403 10 residues pruned to eliminate duplicates Z: 13 21.752 2.222 1.187 0.610 0.833 0.167 CA 1.397 13 residues pruned to eliminate duplicates Z: 8 24.201 2.388 1.126 0.752 1.000 0.286 CA 1.440 8 residues pruned to eliminate duplicates Z: 8 10.917 1.786 0.891 0.724 0.857 0.714 CB 1.165 Z: 8 14.981 2.050 0.739 0.636 1.000 0.429 CA 1.398 8 residues pruned to eliminate duplicates Z: 10 13.711 1.925 0.804 0.584 0.778 0.667 CA 1.561 10 residues pruned to eliminate duplicates Z: 12 21.611 2.020 0.908 0.889 0.909 0.727 CA 1.338 12 residues pruned to eliminate duplicates Z: 14 32.145 2.284 0.850 0.902 0.923 0.769 CB 1.631 14 residues pruned to eliminate duplicates Z: 38 31.971 2.116 0.728 0.567 0.838 0.568 CB 1.607 38 residues pruned to eliminate duplicates Z: 11 24.141 1.884 1.196 0.848 1.000 0.600 CB 1.368 11 residues pruned to eliminate duplicates Z: 14 21.074 2.491 0.607 0.467 0.846 0.615 CA 1.785 14 residues pruned to eliminate duplicates Z: 12 15.367 2.071 0.891 0.446 0.818 0.364 CB 1.528 12 residues pruned to eliminate duplicates Z: 11 22.761 1.999 1.143 0.867 1.000 0.700 CA 1.229 11 residues pruned to eliminate duplicates Z: 11 20.674 1.967 0.861 0.896 1.000 0.700 CB 1.280 11 residues pruned to eliminate duplicates Z: 15 26.493 2.189 0.763 0.907 0.929 0.714 CA 1.404 15 residues pruned to eliminate duplicates Z: 10 12.035 1.755 0.502 0.737 0.889 0.667 CB 1.383 10 residues pruned to eliminate duplicates Z: 8 14.886 2.254 0.645 0.682 0.714 0.571 CB 1.797 8 residues pruned to eliminate duplicates Z: 8 4.869 1.930 0.060 0.780 0.857 0.714 CB 0.820 Z: 23 18.267 2.120 0.681 0.428 0.864 0.591 CB 1.363 20 residues pruned to eliminate duplicates Z: 12 22.160 2.010 1.090 0.880 1.000 0.818 CA 1.153 12 residues pruned to eliminate duplicates Z: 19 13.372 2.073 0.635 0.401 0.778 0.500 CB 1.327 19 residues pruned to eliminate duplicates Z: 38 19.570 2.112 0.823 0.288 0.757 0.405 CB 1.401 38 residues pruned to eliminate duplicates Z: 9 7.888 1.889 0.524 0.381 0.875 0.500 CB 1.257 9 residues pruned to eliminate duplicates Z: 98 60.787 2.286 0.927 0.494 0.887 0.474 CB 1.591 99 residues pruned to eliminate duplicates Z: 9 5.582 1.730 0.406 0.430 0.750 0.375 CB 1.163 9 residues pruned to eliminate duplicates Z: 61 64.669 2.314 1.190 0.533 0.900 0.483 CB 1.772 67 residues pruned to eliminate duplicates Z: 13 20.289 1.886 0.578 0.903 1.000 0.833 CB 1.403 13 residues pruned to eliminate duplicates Z: 11 11.462 1.999 0.726 0.376 0.800 0.200 N 1.498 11 residues pruned to eliminate duplicates Z: 15 15.961 1.967 0.876 0.539 1.000 0.571 CB 1.113 Z: 26 18.532 2.165 0.620 0.401 0.840 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 7 9.118 1.683 0.759 0.470 1.000 0.833 CB 1.296 7 residues pruned to eliminate duplicates Z: 13 20.133 1.957 0.930 0.806 0.917 0.750 CA 1.285 13 residues pruned to eliminate duplicates Z: 14 43.839 2.418 1.010 0.871 1.000 0.846 CB 1.825 14 residues pruned to eliminate duplicates Z: 33 39.433 2.351 1.011 0.522 0.875 0.625 CB 1.649 33 residues pruned to eliminate duplicates Z: 9 12.943 1.962 0.448 0.839 0.875 0.875 CA 1.374 9 residues pruned to eliminate duplicates Z: 19 11.231 1.813 0.421 0.444 0.944 0.556 CB 1.153 Z: 23 34.204 2.232 1.005 0.685 0.909 0.591 CB 1.513 23 residues pruned to eliminate duplicates Z: 21 30.391 2.277 1.041 0.440 0.850 0.700 CB 1.831 21 residues pruned to eliminate duplicates Z: 26 26.021 2.137 0.809 0.510 0.800 0.560 CB 1.666 25 residues pruned to eliminate duplicates Z: 44 34.691 2.138 0.736 0.545 0.884 0.581 CB 1.544 44 residues pruned to eliminate duplicates Z: 42 32.660 2.225 0.732 0.469 0.878 0.537 CB 1.555 49 residues pruned to eliminate duplicates Z: 9 5.805 1.744 0.405 0.415 0.750 0.500 CB 1.220 Z: 15 30.675 2.359 0.548 0.891 1.000 0.857 CA 1.614 15 residues pruned to eliminate duplicates Z: 11 25.213 1.976 0.893 0.911 1.000 1.000 CB 1.512 12 residues pruned to eliminate duplicates Z: 22 49.086 2.342 1.175 0.764 1.000 0.810 CB 1.664 23 residues pruned to eliminate duplicates Z: 11 5.495 2.037 0.654 0.228 0.600 0.200 CB 1.180 11 residues pruned to eliminate duplicates Z: 13 19.941 1.832 0.709 0.928 0.917 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 12 7.846 1.788 0.361 0.363 0.818 0.545 CB 1.377 Z: 12 25.399 2.039 0.868 0.864 1.000 0.636 CB 1.474 12 residues pruned to eliminate duplicates Z: 8 14.642 2.257 1.047 0.502 0.857 0.286 CB 1.395 8 residues pruned to eliminate duplicates Z: 62 50.367 2.347 0.856 0.457 0.902 0.541 CB 1.716 62 residues pruned to eliminate duplicates Z: 8 13.214 2.226 0.710 0.767 0.714 0.286 CA 1.450 8 residues pruned to eliminate duplicates Z: 8 3.734 1.860 -0.026 0.328 0.857 0.571 N 1.097 7 residues pruned to eliminate duplicates Z: 11 20.770 2.079 0.657 0.924 1.000 1.000 CA 1.339 11 residues pruned to eliminate duplicates Z: 13 7.690 2.004 0.525 0.528 0.750 0.500 CB 0.942 13 residues pruned to eliminate duplicates Z: 30 31.743 2.326 0.926 0.560 0.897 0.483 CB 1.384 30 residues pruned to eliminate duplicates Z: 18 26.246 2.288 1.127 0.504 0.824 0.471 CA 1.582 18 residues pruned to eliminate duplicates Z: 6 4.435 1.903 0.897 0.650 0.600 0.600 CB 0.797 6 residues pruned to eliminate duplicates Z: 54 42.246 2.353 0.944 0.489 0.887 0.585 CB 1.446 57 residues pruned to eliminate duplicates Z: 79 80.962 2.420 1.137 0.605 0.923 0.615 CB 1.738 79 residues pruned to eliminate duplicates Z: 13 27.102 2.250 0.861 0.872 0.917 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 90 65.201 2.269 0.967 0.568 0.921 0.596 CB 1.573 90 residues pruned to eliminate duplicates Z: 17 32.787 2.274 0.834 0.901 1.000 0.875 CB 1.403 17 residues pruned to eliminate duplicates Z: 12 24.669 2.062 0.924 0.837 1.000 0.727 CB 1.402 12 residues pruned to eliminate duplicates Z: 11 7.295 2.129 0.867 0.229 0.700 0.600 CB 1.137 11 residues pruned to eliminate duplicates 6 1.316 1.895 0.212 0.274 0.600 0.400 CB 0.552 ? Z: 14 9.266 1.930 0.407 0.492 0.692 0.615 CB 1.378 Z: 6 9.613 2.017 0.960 0.492 1.000 0.600 CB 1.097 Z: 92 86.475 2.367 1.141 0.564 0.934 0.604 CB 1.799 92 residues pruned to eliminate duplicates Z: 6 5.372 1.739 0.019 0.402 1.000 0.800 N 1.502 Z: 7 6.159 1.811 0.085 0.525 1.000 0.667 CB 1.249 7 residues pruned to eliminate duplicates Z: 15 8.095 1.851 0.635 0.381 0.714 0.357 CB 1.137 21 residues pruned to eliminate duplicates Z: 44 46.217 2.396 1.090 0.557 0.860 0.581 CB 1.548 44 residues pruned to eliminate duplicates Z: 9 6.521 1.737 0.397 0.401 0.750 0.625 CB 1.406 6 residues pruned to eliminate duplicates Z: 71 52.842 2.298 1.009 0.425 0.843 0.514 CB 1.753 71 residues pruned to eliminate duplicates Z: 39 41.208 2.261 0.829 0.488 0.947 0.474 CB 1.727 39 residues pruned to eliminate duplicates Z: 46 33.628 2.214 0.785 0.432 0.889 0.511 CB 1.531 46 residues pruned to eliminate duplicates Z: 12 27.170 2.122 0.905 0.873 1.000 0.909 CA 1.476 12 residues pruned to eliminate duplicates Z: 16 33.251 2.462 0.900 0.579 0.867 0.467 CB 1.963 16 residues pruned to eliminate duplicates Z: 29 20.825 2.163 0.846 0.374 0.786 0.429 CB 1.436 29 residues pruned to eliminate duplicates Z: 17 16.897 2.135 0.940 0.425 0.812 0.375 CB 1.358 17 residues pruned to eliminate duplicates Z: 7 6.745 1.635 0.959 0.349 0.833 0.500 N 1.215 Z: 22 28.627 2.231 0.606 0.735 0.905 0.667 CA 1.560 22 residues pruned to eliminate duplicates Z: 76 54.613 2.276 0.947 0.475 0.907 0.427 CB 1.611 76 residues pruned to eliminate duplicates Z: 13 17.275 2.068 0.366 0.877 0.917 0.750 CB 1.398 13 residues pruned to eliminate duplicates Z: 43 34.930 2.109 0.952 0.511 0.881 0.595 CB 1.470 43 residues pruned to eliminate duplicates Z: 25 26.543 2.048 0.634 0.618 1.000 0.708 CA 1.448 25 residues pruned to eliminate duplicates Z: 25 18.696 2.146 0.789 0.323 0.792 0.375 CB 1.526 32 residues pruned to eliminate duplicates Z: 21 13.708 2.048 0.589 0.413 0.900 0.600 CB 1.146 21 residues pruned to eliminate duplicates Z: 14 32.462 2.254 0.795 0.910 1.000 0.769 CB 1.577 14 residues pruned to eliminate duplicates Z: 28 41.568 2.399 1.129 0.605 0.926 0.481 CB 1.530 28 residues pruned to eliminate duplicates Z: 19 33.088 2.114 1.126 0.858 1.000 0.556 CB 1.277 19 residues pruned to eliminate duplicates Z: 14 33.631 2.311 0.903 0.871 0.923 0.692 CA 1.675 14 residues pruned to eliminate duplicates Z: 15 30.804 2.166 0.990 0.859 1.000 0.714 CA 1.405 15 residues pruned to eliminate duplicates Z: 16 28.854 2.085 0.729 0.894 1.000 0.867 CA 1.483 16 residues pruned to eliminate duplicates Z: 8 4.349 1.805 0.344 0.347 0.571 0.286 CB 1.400 7 residues pruned to eliminate duplicates Z: 9 12.720 1.787 0.585 0.857 0.875 0.875 CB 1.337 12 residues pruned to eliminate duplicates Z: 67 45.771 2.251 0.877 0.485 0.864 0.530 CB 1.567 67 residues pruned to eliminate duplicates Z: 39 29.044 2.216 0.704 0.409 0.868 0.500 CB 1.580 39 residues pruned to eliminate duplicates Z: 23 13.369 2.070 0.558 0.414 0.864 0.636 CB 1.120 10 residues pruned to eliminate duplicates Z: 13 36.841 2.271 1.368 0.875 1.000 0.917 CA 1.439 13 residues pruned to eliminate duplicates Z: 19 15.662 2.248 0.708 0.396 0.778 0.556 CB 1.379 19 residues pruned to eliminate duplicates Z: 37 44.045 2.380 1.072 0.556 0.861 0.583 CB 1.637 37 residues pruned to eliminate duplicates Z: 48 36.122 2.266 0.813 0.443 0.766 0.447 CB 1.775 48 residues pruned to eliminate duplicates Z: 38 21.714 2.049 0.612 0.393 0.892 0.405 CB 1.358 49 residues pruned to eliminate duplicates Z: 28 23.046 2.225 0.708 0.485 0.852 0.556 CB 1.391 28 residues pruned to eliminate duplicates Z: 17 35.402 2.271 0.781 0.877 1.000 0.750 CB 1.589 17 residues pruned to eliminate duplicates Z: 45 48.884 2.438 0.985 0.533 0.909 0.500 CB 1.622 45 residues pruned to eliminate duplicates Z: 10 26.866 2.266 0.796 0.911 1.000 0.889 CA 1.560 10 residues pruned to eliminate duplicates Z: 9 6.061 1.627 0.268 0.787 0.875 0.625 CB 0.923 Z: 69 64.992 2.343 1.101 0.539 0.941 0.544 CB 1.637 61 residues pruned to eliminate duplicates Z: 20 15.626 2.044 0.704 0.463 0.842 0.526 CB 1.269 20 residues pruned to eliminate duplicates Z: 16 25.702 2.213 0.509 0.893 1.000 0.800 CA 1.427 16 residues pruned to eliminate duplicates Z: 8 4.139 1.856 0.163 0.197 1.000 0.571 CB 1.039 8 residues pruned to eliminate duplicates Z: 12 18.028 1.994 1.066 0.682 0.727 0.455 CA 1.535 12 residues pruned to eliminate duplicates Z: 63 57.158 2.299 1.050 0.519 0.935 0.500 CB 1.615 63 residues pruned to eliminate duplicates Z: 21 33.337 2.245 0.855 0.712 0.950 0.850 CA 1.555 23 residues pruned to eliminate duplicates Z: 11 29.617 2.417 1.078 0.733 0.800 0.600 CA 1.890 11 residues pruned to eliminate duplicates Z: 31 39.859 2.266 1.085 0.557 0.900 0.500 CB 1.619 31 residues pruned to eliminate duplicates Z: 6 9.531 1.999 1.899 0.596 0.800 0.600 CB 0.839 Z: 14 9.378 2.045 0.503 0.313 0.769 0.615 CB 1.354 14 residues pruned to eliminate duplicates Z: 7 21.109 2.493 0.935 0.744 0.833 0.333 CA 1.724 7 residues pruned to eliminate duplicates Z: 28 24.668 2.187 0.767 0.443 0.778 0.593 CB 1.674 28 residues pruned to eliminate duplicates Z: 8 6.777 1.613 1.003 0.386 0.714 0.286 CB 1.253 Z: 15 48.359 2.364 1.340 0.897 1.000 0.786 CA 1.672 15 residues pruned to eliminate duplicates Z: 31 31.285 2.237 1.033 0.553 0.767 0.567 CB 1.555 31 residues pruned to eliminate duplicates Z: 7 5.008 1.819 0.093 0.505 1.000 0.333 CB 1.024 7 residues pruned to eliminate duplicates Z: 16 41.297 2.336 0.875 0.886 1.000 0.867 CA 1.756 16 residues pruned to eliminate duplicates Z: 15 21.155 2.125 0.901 0.516 0.857 0.571 CB 1.607 15 residues pruned to eliminate duplicates Z: 19 29.920 2.349 1.103 0.489 0.944 0.500 CB 1.528 19 residues pruned to eliminate duplicates Z: 9 9.245 1.980 0.705 0.365 0.750 0.625 CB 1.493 9 residues pruned to eliminate duplicates Z: 16 47.798 2.406 1.012 0.884 1.000 0.800 CB 1.842 16 residues pruned to eliminate duplicates Z: 7 11.951 1.922 1.178 0.609 0.833 0.833 CB 1.261 7 residues pruned to eliminate duplicates Z: 38 44.089 2.278 1.086 0.545 0.919 0.514 CB 1.589 38 residues pruned to eliminate duplicates Z: 13 13.434 2.092 0.506 0.380 0.833 0.583 CB 1.679 13 residues pruned to eliminate duplicates Z: 16 34.307 2.305 0.792 0.878 0.933 0.800 CA 1.667 16 residues pruned to eliminate duplicates Z: 18 11.924 2.213 0.508 0.371 0.765 0.412 CB 1.302 18 residues pruned to eliminate duplicates Z: 11 18.129 2.287 0.880 0.532 0.700 0.500 CA 1.847 11 residues pruned to eliminate duplicates Z: 16 8.407 2.031 0.294 0.413 0.667 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 8 16.342 2.026 0.772 0.774 1.000 1.000 CB 1.350 Z: 17 16.616 2.044 0.847 0.374 0.875 0.562 CB 1.439 17 residues pruned to eliminate duplicates 6 1.489 1.798 -0.016 0.619 0.800 0.800 CB 0.420 ? Z: 14 29.895 2.213 0.931 0.924 1.000 0.846 CA 1.362 14 residues pruned to eliminate duplicates Z: 16 27.495 2.094 1.010 0.868 0.867 0.667 CB 1.422 16 residues pruned to eliminate duplicates Z: 6 9.697 1.804 0.701 0.609 1.000 0.600 CB 1.274 Z: 108 61.391 2.288 0.875 0.476 0.879 0.589 CB 1.614 113 residues pruned to eliminate duplicates Z: 11 9.516 1.811 0.456 0.455 0.900 0.700 N 1.328 11 residues pruned to eliminate duplicates Z: 23 33.800 2.220 0.814 0.653 0.909 0.682 CA 1.708 23 residues pruned to eliminate duplicates Z: 8 11.113 1.691 1.237 0.462 0.857 0.429 O 1.347 Z: 11 5.630 1.888 0.676 0.228 0.700 0.500 CB 1.104 11 residues pruned to eliminate duplicates Z: 15 6.947 1.798 0.562 0.270 0.786 0.286 CB 1.092 Z: 61 69.011 2.395 1.098 0.564 0.950 0.617 CB 1.754 61 residues pruned to eliminate duplicates Z: 6 3.042 2.012 0.484 0.456 0.600 0.400 CB 0.795 6 residues pruned to eliminate duplicates Z: 27 15.746 2.061 0.655 0.346 0.731 0.385 CB 1.465 27 residues pruned to eliminate duplicates Z: 9 21.081 1.951 0.970 0.887 0.875 0.375 CB 1.598 9 residues pruned to eliminate duplicates Z: 37 48.407 2.386 1.027 0.549 0.889 0.583 CA 1.789 37 residues pruned to eliminate duplicates Z: 16 30.331 2.110 0.878 0.888 1.000 0.867 CA 1.424 16 residues pruned to eliminate duplicates Z: 12 24.980 2.084 0.893 0.870 1.000 0.727 CB 1.394 12 residues pruned to eliminate duplicates Z: 38 54.904 2.397 1.018 0.543 0.973 0.541 CB 1.839 38 residues pruned to eliminate duplicates Z: 13 17.848 2.094 0.988 0.563 0.833 0.750 CA 1.398 13 residues pruned to eliminate duplicates Z: 30 39.011 2.396 0.932 0.541 0.931 0.586 CB 1.615 31 residues pruned to eliminate duplicates Z: 38 36.011 2.150 0.693 0.564 0.946 0.595 CA 1.616 38 residues pruned to eliminate duplicates Z: 12 13.700 2.134 0.702 0.399 0.909 0.545 CB 1.392 12 residues pruned to eliminate duplicates Z: 16 8.030 1.742 0.793 0.384 0.667 0.533 N 1.127 16 residues pruned to eliminate duplicates Z: 17 14.566 1.992 0.407 0.493 0.812 0.438 CB 1.610 17 residues pruned to eliminate duplicates Z: 59 64.174 2.378 1.187 0.551 0.862 0.500 CB 1.788 59 residues pruned to eliminate duplicates Z: 44 44.127 2.256 1.069 0.480 0.907 0.605 CB 1.623 44 residues pruned to eliminate duplicates Z: 13 43.951 2.314 1.487 0.890 0.917 0.750 CA 1.730 13 residues pruned to eliminate duplicates Z: 8 7.089 1.667 0.236 0.815 0.857 0.429 CB 1.154 8 residues pruned to eliminate duplicates Z: 43 45.709 2.361 1.028 0.532 0.905 0.571 CB 1.577 43 residues pruned to eliminate duplicates Z: 11 6.500 1.912 -0.064 0.762 0.900 0.800 CB 1.011 Z: 12 16.981 1.901 0.753 0.557 1.000 0.636 CA 1.454 12 residues pruned to eliminate duplicates Z: 90 61.765 2.254 0.938 0.518 0.876 0.584 CB 1.680 90 residues pruned to eliminate duplicates Z: 14 6.532 1.507 0.499 0.402 0.769 0.385 C 1.156 Z: 17 25.226 1.988 0.727 0.858 1.000 0.750 CB 1.353 17 residues pruned to eliminate duplicates Z: 16 17.178 2.135 0.642 0.520 0.867 0.667 CB 1.431 16 residues pruned to eliminate duplicates Z: 8 7.844 1.909 0.658 0.406 0.857 0.429 CA 1.207 8 residues pruned to eliminate duplicates Z: 29 32.234 2.165 1.017 0.553 0.893 0.607 CB 1.484 29 residues pruned to eliminate duplicates Z: 9 11.599 1.971 0.699 0.657 0.875 0.875 CB 1.210 9 residues pruned to eliminate duplicates Z: 12 7.943 1.960 0.149 0.662 0.909 0.636 CB 1.007 12 residues pruned to eliminate duplicates Z: 6 11.004 2.135 0.823 0.815 0.800 0.600 CA 1.202 6 residues pruned to eliminate duplicates Z: 8 6.361 1.968 0.443 0.287 0.857 0.571 CB 1.254 Z: 7 17.552 2.001 0.651 0.859 1.000 0.500 CB 1.595 7 residues pruned to eliminate duplicates Z: 23 14.134 2.128 0.628 0.415 0.818 0.500 CB 1.162 23 residues pruned to eliminate duplicates Z: 14 7.698 1.803 0.081 0.636 0.846 0.615 CB 1.140 8 residues pruned to eliminate duplicates Z: 14 30.709 2.212 1.055 0.884 0.923 0.692 CB 1.467 14 residues pruned to eliminate duplicates Z: 10 5.185 1.638 0.475 0.334 0.778 0.556 CB 1.103 Z: 14 34.764 2.377 0.799 0.877 1.000 0.846 CA 1.638 14 residues pruned to eliminate duplicates Z: 41 41.102 2.311 0.919 0.523 0.900 0.475 CB 1.592 41 residues pruned to eliminate duplicates Z: 6 3.586 1.915 0.121 0.457 0.600 0.600 CB 1.301 6 residues pruned to eliminate duplicates Z: 16 36.005 2.249 1.003 0.811 1.000 0.800 CA 1.574 16 residues pruned to eliminate duplicates Z: 14 20.884 1.834 0.881 0.852 1.000 0.769 CA 1.242 Z: 96 56.349 2.197 0.905 0.481 0.905 0.547 CB 1.556 96 residues pruned to eliminate duplicates Z: 71 52.083 2.335 0.946 0.467 0.900 0.614 CB 1.575 71 residues pruned to eliminate duplicates Z: 8 14.936 2.110 0.903 0.669 0.857 0.571 CB 1.404 Z: 16 24.826 2.061 0.796 0.844 0.867 0.733 CA 1.486 16 residues pruned to eliminate duplicates Z: 38 24.523 2.074 0.561 0.527 0.784 0.405 CB 1.548 38 residues pruned to eliminate duplicates Z: 8 4.246 1.312 0.535 0.677 0.714 0.429 CA 0.948 Z: 16 44.843 2.382 0.969 0.877 1.000 0.667 CB 1.792 16 residues pruned to eliminate duplicates Z: 8 12.256 2.173 0.281 0.645 1.000 0.714 CB 1.454 8 residues pruned to eliminate duplicates Z: 18 23.628 2.139 0.938 0.578 0.882 0.471 CB 1.453 18 residues pruned to eliminate duplicates Z: 15 29.701 2.107 0.816 0.907 1.000 0.857 CA 1.474 15 residues pruned to eliminate duplicates Z: 18 27.976 2.346 1.059 0.471 0.824 0.529 CB 1.756 18 residues pruned to eliminate duplicates Z: 22 20.841 2.187 0.743 0.411 0.810 0.524 CB 1.617 22 residues pruned to eliminate duplicates Z: 6 2.211 1.779 0.172 0.300 0.600 0.400 CB 0.989 Z: 7 3.556 1.310 0.473 0.762 0.667 0.667 N 0.894 7 residues pruned to eliminate duplicates Z: 15 36.052 2.345 0.786 0.882 1.000 0.857 CB 1.665 15 residues pruned to eliminate duplicates Z: 24 32.563 2.069 0.923 0.677 0.957 0.565 CA 1.515 24 residues pruned to eliminate duplicates Z: 43 48.314 2.482 1.001 0.563 0.881 0.619 CB 1.604 43 residues pruned to eliminate duplicates Z: 8 2.312 1.931 0.518 0.128 0.571 0.286 CB 0.831 8 residues pruned to eliminate duplicates Z: 6 10.703 1.978 0.930 0.836 0.800 0.400 CB 1.173 6 residues pruned to eliminate duplicates Z: 8 8.898 1.839 0.705 0.583 0.714 0.571 CB 1.387 Z: 20 16.372 2.199 0.649 0.424 0.789 0.579 CB 1.420 20 residues pruned to eliminate duplicates Z: 43 35.553 2.304 0.891 0.479 0.857 0.476 CB 1.502 43 residues pruned to eliminate duplicates Z: 86 75.552 2.352 1.097 0.548 0.894 0.576 CB 1.773 86 residues pruned to eliminate duplicates Z: 103 73.973 2.371 1.043 0.530 0.892 0.539 CB 1.645 103 residues pruned to eliminate duplicates Z: 8 14.358 1.903 1.065 0.887 0.714 0.429 N 1.394 8 residues pruned to eliminate duplicates Z: 7 6.720 1.658 0.593 0.609 0.833 0.500 CB 1.124 Z: 9 10.874 1.854 0.552 0.793 0.750 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 8 8.570 2.133 0.801 0.731 0.429 0.286 CA 1.598 8 residues pruned to eliminate duplicates Z: 6 4.110 1.691 0.217 0.612 0.800 0.800 CB 1.005 Z: 13 22.081 1.924 1.181 0.913 0.833 0.583 CB 1.290 14 residues pruned to eliminate duplicates Z: 44 44.595 2.408 0.968 0.552 0.860 0.651 CB 1.586 44 residues pruned to eliminate duplicates Z: 10 11.034 2.289 0.467 0.321 0.778 0.333 CA 1.715 10 residues pruned to eliminate duplicates Z: 7 4.315 1.463 0.438 0.614 0.833 0.500 CA 0.903 7 residues pruned to eliminate duplicates Z: 26 19.603 2.100 0.631 0.367 0.920 0.480 CB 1.436 26 residues pruned to eliminate duplicates Z: 7 3.950 1.979 -0.102 0.386 0.833 0.500 CB 1.228 Z: 14 11.045 2.143 0.365 0.381 0.846 0.615 CB 1.405 17 residues pruned to eliminate duplicates Z: 19 20.975 2.089 0.861 0.557 0.833 0.500 CB 1.444 19 residues pruned to eliminate duplicates Z: 8 11.601 1.720 0.585 0.832 1.000 0.571 CA 1.207 8 residues pruned to eliminate duplicates Z: 7 5.098 1.534 0.436 0.652 1.000 0.500 N 0.820 Z: 6 2.938 1.775 0.270 0.299 0.600 0.400 CB 1.216 6 residues pruned to eliminate duplicates Z: 11 10.816 1.740 0.670 0.595 0.800 0.700 CA 1.345 Z: 6 6.571 1.544 0.884 0.812 1.000 0.600 N 0.770 6 residues pruned to eliminate duplicates Z: 13 29.385 1.958 1.190 0.908 1.000 0.667 CB 1.404 13 residues pruned to eliminate duplicates Z: 6 3.608 1.470 0.457 0.696 0.800 0.600 C 0.788 Z: 8 7.148 1.654 0.726 0.456 0.857 0.286 O 1.154 8 residues pruned to eliminate duplicates Z: 85 65.291 2.372 1.035 0.512 0.869 0.488 CB 1.678 85 residues pruned to eliminate duplicates Z: 37 48.544 2.409 1.080 0.480 0.917 0.556 CB 1.797 37 residues pruned to eliminate duplicates Z: 34 31.830 2.074 0.845 0.573 0.879 0.606 CA 1.536 34 residues pruned to eliminate duplicates Z: 42 38.153 2.390 0.761 0.480 0.878 0.659 CB 1.645 42 residues pruned to eliminate duplicates Z: 63 56.206 2.344 0.995 0.499 0.887 0.516 CB 1.723 63 residues pruned to eliminate duplicates Z: 17 32.891 2.405 0.702 0.785 0.875 0.688 CA 1.786 17 residues pruned to eliminate duplicates Z: 13 19.717 1.833 0.642 0.913 1.000 0.917 CA 1.338 13 residues pruned to eliminate duplicates Z: 12 18.093 2.204 0.751 0.496 0.909 0.636 CA 1.562 12 residues pruned to eliminate duplicates Z: 102 80.293 2.356 1.147 0.536 0.901 0.574 CB 1.692 102 residues pruned to eliminate duplicates Z: 9 10.791 1.781 0.618 0.860 0.875 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 22 30.300 2.225 0.956 0.426 0.952 0.571 CA 1.722 22 residues pruned to eliminate duplicates Z: 7 7.636 1.883 0.588 0.585 1.000 1.000 CB 0.961 Z: 45 37.544 2.233 0.759 0.447 0.864 0.432 CB 1.761 45 residues pruned to eliminate duplicates Z: 6 4.633 1.771 0.533 0.349 0.800 0.400 N 1.124 Z: 26 37.021 2.277 1.164 0.524 0.920 0.600 CB 1.595 26 residues pruned to eliminate duplicates Z: 10 9.809 2.012 0.624 0.511 0.889 0.556 CB 1.114 10 residues pruned to eliminate duplicates Z: 10 12.182 1.741 0.640 0.698 0.889 0.333 CB 1.335 10 residues pruned to eliminate duplicates Z: 7 16.135 1.922 0.965 0.663 1.000 0.667 CA 1.500 7 residues pruned to eliminate duplicates Z: 14 11.900 2.140 0.430 0.368 0.769 0.538 CB 1.616 15 residues pruned to eliminate duplicates Z: 27 12.538 1.826 0.401 0.382 0.923 0.385 CB 1.181 27 residues pruned to eliminate duplicates Z: 7 4.859 1.692 0.313 0.598 0.667 0.667 O 1.220 Z: 16 37.450 2.506 0.769 0.807 0.867 0.667 CA 1.926 16 residues pruned to eliminate duplicates Z: 7 8.425 2.011 0.685 0.591 0.833 0.667 CB 1.117 Z: 8 3.439 1.567 1.279 0.317 0.857 0.429 CB 0.520 Z: 15 33.323 2.286 0.956 0.865 1.000 0.643 CB 1.460 15 residues pruned to eliminate duplicates Z: 16 27.540 2.237 1.012 0.556 1.000 0.733 CB 1.495 16 residues pruned to eliminate duplicates Z: 17 38.971 2.227 1.038 0.824 1.000 0.500 CB 1.621 17 residues pruned to eliminate duplicates Z: 10 10.851 1.884 0.484 0.455 1.000 0.556 CA 1.354 18 residues pruned to eliminate duplicates Z: 21 20.099 2.207 0.767 0.455 0.850 0.500 CB 1.419 21 residues pruned to eliminate duplicates Z: 7 12.337 2.344 0.707 0.661 0.833 0.500 CB 1.301 7 residues pruned to eliminate duplicates 6 0.366 1.629 -0.219 0.334 0.600 0.400 CB 0.257 ? Z: 83 54.793 2.238 0.961 0.529 0.878 0.488 CB 1.526 83 residues pruned to eliminate duplicates Z: 9 3.156 1.794 0.218 0.152 0.625 0.500 CB 1.253 5 residues pruned to eliminate duplicates Z: 17 40.618 2.400 0.921 0.888 0.938 0.812 CA 1.693 17 residues pruned to eliminate duplicates Z: 24 26.654 2.251 0.939 0.488 0.826 0.478 CB 1.561 24 residues pruned to eliminate duplicates Z: 68 58.439 2.336 1.075 0.501 0.896 0.537 CB 1.644 68 residues pruned to eliminate duplicates Z: 12 3.090 1.706 0.153 0.168 0.636 0.364 O 1.114 Z: 6 18.022 2.156 1.152 0.770 1.000 0.800 CA 1.368 6 residues pruned to eliminate duplicates Z: 22 19.261 2.175 0.812 0.327 0.810 0.524 CB 1.592 22 residues pruned to eliminate duplicates Z: 17 18.545 2.100 0.867 0.481 0.938 0.562 CB 1.286 17 residues pruned to eliminate duplicates Z: 15 26.027 2.205 0.757 0.869 1.000 0.786 CA 1.311 15 residues pruned to eliminate duplicates Z: 10 5.136 1.371 0.414 0.748 0.778 0.444 C 0.910 10 residues pruned to eliminate duplicates Z: 9 12.364 1.974 0.995 0.479 0.750 0.625 N 1.512 Z: 14 23.596 2.132 0.760 0.837 0.846 0.615 CA 1.542 14 residues pruned to eliminate duplicates Z: 29 21.845 2.051 0.679 0.479 0.857 0.464 CB 1.430 29 residues pruned to eliminate duplicates Z: 7 5.974 1.909 0.240 0.431 0.833 0.333 CA 1.328 7 residues pruned to eliminate duplicates Z: 9 5.753 1.865 0.649 0.301 0.625 0.375 CB 1.322 9 residues pruned to eliminate duplicates Z: 14 9.612 1.875 0.642 0.434 0.846 0.538 CB 1.096 14 residues pruned to eliminate duplicates Z: 27 20.911 2.184 0.662 0.525 0.769 0.500 CB 1.433 27 residues pruned to eliminate duplicates Z: 62 67.928 2.356 1.178 0.537 0.934 0.590 CB 1.749 62 residues pruned to eliminate duplicates Z: 6 10.040 2.213 0.810 0.655 0.800 0.800 CB 1.213 8 residues pruned to eliminate duplicates Z: 41 26.478 2.173 0.714 0.472 0.850 0.500 CB 1.359 41 residues pruned to eliminate duplicates Z: 8 16.122 1.872 1.029 0.796 0.857 0.286 N 1.443 8 residues pruned to eliminate duplicates Z: 8 6.435 1.831 1.278 0.434 0.571 0.429 CB 1.092 8 residues pruned to eliminate duplicates Z: 12 20.764 2.296 0.754 0.770 0.727 0.455 CB 1.683 12 residues pruned to eliminate duplicates Z: 12 9.736 1.648 0.512 0.771 0.909 0.545 CB 1.019 Z: 69 53.218 2.263 0.936 0.515 0.912 0.588 CB 1.592 69 residues pruned to eliminate duplicates Z: 12 12.964 1.984 0.792 0.503 0.818 0.545 CA 1.340 12 residues pruned to eliminate duplicates Z: 11 26.887 1.999 1.278 0.887 1.000 0.700 CB 1.345 12 residues pruned to eliminate duplicates Z: 12 49.548 2.398 1.451 0.906 1.000 0.909 CB 1.808 12 residues pruned to eliminate duplicates 6 1.708 1.387 0.318 0.200 0.600 0.000 O 0.995 ? Z: 13 19.043 1.963 0.787 0.849 1.000 0.667 CA 1.162 13 residues pruned to eliminate duplicates Z: 6 2.664 1.216 0.535 0.463 0.800 0.800 CB 0.829 Z: 6 4.414 1.517 0.267 0.617 0.800 0.600 CA 1.150 Z: 7 5.797 1.631 0.503 0.526 0.833 0.667 CB 1.129 Z: 92 66.779 2.282 1.000 0.509 0.934 0.516 CB 1.627 92 residues pruned to eliminate duplicates Z: 7 9.956 1.850 0.351 0.819 1.000 0.833 CB 1.233 7 residues pruned to eliminate duplicates Z: 13 13.247 1.735 1.167 0.553 0.750 0.500 CB 1.288 10 residues pruned to eliminate duplicates Z: 8 2.668 1.792 0.284 0.213 0.571 0.286 CB 1.076 8 residues pruned to eliminate duplicates Z: 12 6.725 1.837 0.019 0.511 0.818 0.636 CB 1.309 Z: 13 42.955 2.219 1.412 0.872 1.000 0.833 CB 1.689 13 residues pruned to eliminate duplicates Z: 8 21.297 2.281 1.219 0.688 0.857 0.429 CA 1.562 8 residues pruned to eliminate duplicates Z: 17 45.541 2.287 1.152 0.894 1.000 0.500 CB 1.660 29 residues pruned to eliminate duplicates Z: 111 69.961 2.280 1.086 0.505 0.909 0.555 CB 1.536 108 residues pruned to eliminate duplicates Z: 18 26.871 2.151 0.701 0.665 0.941 0.765 CB 1.625 18 residues pruned to eliminate duplicates Z: 13 20.539 1.828 0.946 0.811 0.917 0.750 CB 1.388 13 residues pruned to eliminate duplicates Z: 26 29.252 2.301 0.865 0.437 0.880 0.520 CB 1.653 26 residues pruned to eliminate duplicates Z: 6 9.411 1.625 0.635 0.802 1.000 0.600 N 1.216 6 residues pruned to eliminate duplicates Z: 7 3.336 1.665 0.013 0.485 0.667 0.667 N 1.230 Z: 12 29.401 2.033 1.185 0.910 0.909 0.636 CB 1.557 12 residues pruned to eliminate duplicates Z: 8 3.213 1.836 0.529 0.214 0.571 0.571 CB 1.060 Z: 17 26.505 2.244 0.667 0.850 0.938 0.812 CB 1.400 17 residues pruned to eliminate duplicates Z: 8 18.395 1.985 1.094 0.806 1.000 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 8 15.020 1.829 0.742 0.908 1.000 0.429 CB 1.266 8 residues pruned to eliminate duplicates Z: 6 2.116 1.842 -0.204 0.500 0.800 0.600 CB 0.806 3 residues pruned to eliminate duplicates Z: 7 10.872 1.995 0.646 0.476 1.000 0.833 CB 1.385 7 residues pruned to eliminate duplicates Z: 12 12.041 1.944 0.958 0.629 0.636 0.545 CB 1.328 12 residues pruned to eliminate duplicates Z: 105 71.332 2.278 1.082 0.523 0.894 0.519 CB 1.613 105 residues pruned to eliminate duplicates Z: 77 63.268 2.354 1.081 0.472 0.908 0.500 CB 1.679 77 residues pruned to eliminate duplicates Z: 48 42.105 2.252 0.809 0.501 0.894 0.596 CB 1.685 48 residues pruned to eliminate duplicates Z: 8 4.333 1.908 0.116 0.402 0.857 0.714 CB 0.994 13 residues pruned to eliminate duplicates Z: 24 28.267 2.332 0.843 0.404 0.957 0.522 CB 1.586 24 residues pruned to eliminate duplicates Z: 11 22.625 2.012 1.160 0.878 1.000 0.800 CA 1.195 11 residues pruned to eliminate duplicates Z: 6 6.475 1.742 0.631 0.461 0.800 0.600 CA 1.326 5 residues pruned to eliminate duplicates Z: 16 26.463 2.317 0.816 0.485 0.933 0.733 CA 1.767 16 residues pruned to eliminate duplicates Z: 43 51.706 2.407 1.136 0.455 0.905 0.452 CB 1.795 43 residues pruned to eliminate duplicates Z: 8 3.328 1.869 -0.123 0.409 0.857 0.571 CB 0.986 8 residues pruned to eliminate duplicates Z: 38 33.782 2.211 0.967 0.465 0.865 0.486 CB 1.531 38 residues pruned to eliminate duplicates Z: 10 15.119 1.747 0.707 0.813 1.000 0.778 CB 1.287 10 residues pruned to eliminate duplicates 8 1.202 1.288 0.124 0.351 0.857 0.143 CB 0.431 ? Z: 74 55.507 2.290 1.007 0.509 0.890 0.521 CB 1.574 74 residues pruned to eliminate duplicates Z: 6 17.566 2.049 0.939 0.817 1.000 1.000 CA 1.501 Z: 41 35.757 2.285 0.849 0.418 0.875 0.650 CB 1.665 41 residues pruned to eliminate duplicates Z: 23 43.931 2.277 1.095 0.732 1.000 0.773 CA 1.595 23 residues pruned to eliminate duplicates Z: 11 6.201 1.648 0.539 0.527 0.800 0.600 CB 0.941 11 residues pruned to eliminate duplicates Z: 14 32.587 2.105 1.135 0.896 0.923 0.846 CB 1.560 14 residues pruned to eliminate duplicates Z: 7 4.526 1.783 0.830 0.447 0.667 0.667 CB 0.897 Z: 16 20.616 2.148 0.676 0.544 0.933 0.600 CB 1.518 16 residues pruned to eliminate duplicates Z: 14 20.870 2.010 0.886 0.639 0.923 0.615 CB 1.452 14 residues pruned to eliminate duplicates Z: 10 4.919 1.747 0.675 0.302 1.000 0.556 CB 0.699 Z: 6 2.534 1.828 -0.042 0.479 1.000 0.400 CB 0.661 Z: 13 7.843 1.700 0.210 0.396 0.917 0.583 O 1.341 Z: 11 8.299 1.939 0.424 0.243 0.900 0.500 CB 1.421 11 residues pruned to eliminate duplicates Z: 13 14.379 2.206 0.687 0.473 0.833 0.583 CB 1.375 13 residues pruned to eliminate duplicates Z: 7 7.009 1.885 0.602 0.388 0.833 0.833 CA 1.281 Z: 11 6.558 1.947 0.435 0.498 0.700 0.200 CB 1.062 11 residues pruned to eliminate duplicates Z: 7 4.441 1.777 0.243 0.393 0.833 0.500 CB 1.103 5 residues pruned to eliminate duplicates Z: 14 13.934 1.662 0.754 0.573 0.923 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 25 24.682 2.172 0.793 0.447 0.875 0.667 CB 1.561 25 residues pruned to eliminate duplicates Z: 34 34.159 2.308 0.826 0.512 0.848 0.697 CB 1.644 34 residues pruned to eliminate duplicates Z: 19 14.025 2.225 0.468 0.383 0.889 0.444 CB 1.289 19 residues pruned to eliminate duplicates Z: 9 9.519 2.062 0.270 0.676 0.875 0.625 CB 1.248 9 residues pruned to eliminate duplicates Z: 22 10.739 1.765 0.642 0.411 0.762 0.429 CB 1.165 22 residues pruned to eliminate duplicates Z: 8 15.543 2.121 0.974 0.504 0.857 0.714 CA 1.630 8 residues pruned to eliminate duplicates Z: 65 40.433 2.272 0.814 0.415 0.812 0.484 CB 1.648 65 residues pruned to eliminate duplicates Z: 20 15.930 2.092 0.700 0.308 0.895 0.526 CB 1.421 20 residues pruned to eliminate duplicates Z: 24 22.416 2.253 0.724 0.387 0.826 0.565 CB 1.642 24 residues pruned to eliminate duplicates Z: 11 18.046 1.986 1.036 0.910 0.800 0.500 CB 1.251 11 residues pruned to eliminate duplicates Z: 8 2.554 1.402 0.650 0.438 0.714 0.571 CA 0.623 Z: 10 10.618 1.766 0.771 0.497 0.778 0.556 CA 1.460 10 residues pruned to eliminate duplicates Z: 23 18.681 2.149 0.456 0.428 0.864 0.545 CA 1.587 23 residues pruned to eliminate duplicates Z: 30 27.791 2.267 0.835 0.380 0.828 0.517 CB 1.703 30 residues pruned to eliminate duplicates Z: 6 7.155 1.888 0.838 0.778 0.600 0.400 CB 1.203 6 residues pruned to eliminate duplicates Z: 8 2.645 1.632 0.351 0.363 0.714 0.429 CB 0.736 Z: 34 28.616 2.217 0.771 0.453 0.909 0.545 CB 1.465 34 residues pruned to eliminate duplicates Z: 6 3.374 1.134 0.466 0.750 1.000 0.800 N 0.726 Z: 14 12.301 2.083 0.592 0.326 0.846 0.615 CB 1.472 14 residues pruned to eliminate duplicates Z: 26 29.502 2.155 0.701 0.581 0.920 0.520 CB 1.619 26 residues pruned to eliminate duplicates Z: 7 6.684 1.565 0.788 0.560 0.833 0.833 CB 1.103 7 residues pruned to eliminate duplicates Z: 18 11.498 2.073 0.502 0.450 0.882 0.529 CB 1.068 27 residues pruned to eliminate duplicates Z: 30 26.375 2.208 0.917 0.426 0.793 0.448 CB 1.575 30 residues pruned to eliminate duplicates Z: 7 5.406 1.337 0.734 0.663 0.833 0.333 N 0.982 Z: 12 16.138 2.068 0.830 0.751 0.727 0.636 CA 1.413 12 residues pruned to eliminate duplicates Z: 16 18.098 1.965 0.728 0.399 0.933 0.533 CA 1.640 16 residues pruned to eliminate duplicates Z: 22 26.261 2.225 0.965 0.477 0.857 0.762 CA 1.566 22 residues pruned to eliminate duplicates Z: 17 31.195 2.070 0.998 0.816 1.000 0.688 CB 1.433 17 residues pruned to eliminate duplicates Z: 7 18.026 1.944 0.777 0.855 1.000 0.667 CB 1.572 7 residues pruned to eliminate duplicates Z: 6 2.273 1.110 0.766 0.746 0.600 0.400 N 0.694 Z: 11 24.754 2.039 1.122 0.899 1.000 0.900 CB 1.293 11 residues pruned to eliminate duplicates Z: 61 48.103 2.342 0.898 0.471 0.833 0.517 CB 1.726 61 residues pruned to eliminate duplicates Z: 6 11.318 2.034 0.633 0.613 1.000 0.600 CB 1.370 Using tripeptides from previous cycle as seeds Z: 8 6.379 1.574 0.806 0.304 0.857 0.429 CB 1.231 8 residues pruned to eliminate duplicates Z: 12 12.792 1.977 0.536 0.490 0.909 0.636 CB 1.411 8 residues pruned to eliminate duplicates Z: 6 5.686 1.651 1.262 0.385 0.800 0.600 CA 0.962 Z: 8 8.054 1.904 0.525 0.285 0.857 0.571 N 1.557 14 residues pruned to eliminate duplicates Z: 35 22.697 2.060 0.670 0.439 0.824 0.559 CA 1.463 35 residues pruned to eliminate duplicates Z: 18 17.950 2.250 0.792 0.350 0.765 0.471 CB 1.662 18 residues pruned to eliminate duplicates Z: 16 18.428 2.294 0.703 0.477 0.800 0.600 CB 1.559 16 residues pruned to eliminate duplicates Z: 16 16.146 2.250 0.625 0.412 0.800 0.600 CB 1.563 16 residues pruned to eliminate duplicates Z: 17 14.749 2.097 0.676 0.389 0.750 0.438 CA 1.574 17 residues pruned to eliminate duplicates Z: 16 20.230 2.276 0.791 0.407 0.867 0.467 CB 1.630 16 residues pruned to eliminate duplicates Z: 16 19.443 2.255 0.753 0.470 0.800 0.533 CB 1.636 16 residues pruned to eliminate duplicates Z: 55 41.422 2.216 0.880 0.498 0.870 0.593 CB 1.558 92 residues pruned to eliminate duplicates Z: 7 3.598 1.540 1.211 0.467 0.667 0.333 N 0.669 Z: 12 23.520 2.026 1.214 0.730 1.000 0.636 CA 1.285 12 residues pruned to eliminate duplicates Z: 12 21.452 2.310 0.700 0.585 0.909 0.455 CB 1.671 12 residues pruned to eliminate duplicates Z: 15 19.516 2.178 0.828 0.592 0.857 0.643 CA 1.400 15 residues pruned to eliminate duplicates Z: 43 39.159 2.344 0.766 0.514 0.881 0.571 CB 1.634 43 residues pruned to eliminate duplicates Z: 11 21.829 2.114 0.824 0.878 1.000 0.900 CA 1.299 11 residues pruned to eliminate duplicates Z: 42 43.434 2.399 0.845 0.529 0.878 0.659 CB 1.697 41 residues pruned to eliminate duplicates Z: 10 19.790 2.233 0.578 0.910 1.000 1.000 CA 1.328 10 residues pruned to eliminate duplicates Z: 16 18.174 2.183 0.700 0.562 0.933 0.600 CB 1.276 16 residues pruned to eliminate duplicates Z: 46 33.502 2.260 0.670 0.486 0.867 0.667 CB 1.548 46 residues pruned to eliminate duplicates Z: 30 34.898 2.315 0.843 0.582 0.897 0.724 CB 1.565 30 residues pruned to eliminate duplicates Z: 28 41.051 2.351 0.983 0.634 0.889 0.704 CA 1.682 28 residues pruned to eliminate duplicates Z: 45 42.897 2.381 0.874 0.522 0.864 0.636 CB 1.642 45 residues pruned to eliminate duplicates Z: 6 5.710 1.721 0.794 0.396 0.800 0.600 CA 1.154 6 residues pruned to eliminate duplicates Z: 43 44.856 2.379 0.900 0.542 0.929 0.595 CB 1.582 43 residues pruned to eliminate duplicates Z: 45 40.554 2.325 0.824 0.518 0.886 0.614 CB 1.597 45 residues pruned to eliminate duplicates Z: 29 31.814 2.427 0.724 0.506 0.857 0.750 CB 1.667 29 residues pruned to eliminate duplicates Z: 53 39.836 2.313 0.849 0.455 0.885 0.577 CB 1.529 53 residues pruned to eliminate duplicates Z: 13 43.559 2.441 1.166 0.843 1.000 0.833 CB 1.771 13 residues pruned to eliminate duplicates Z: 34 39.968 2.362 1.008 0.503 0.879 0.667 CB 1.664 34 residues pruned to eliminate duplicates Z: 13 48.215 2.425 1.379 0.854 1.000 0.750 CB 1.783 13 residues pruned to eliminate duplicates Z: 47 39.595 2.285 0.861 0.486 0.891 0.652 CB 1.562 47 residues pruned to eliminate duplicates Z: 41 37.622 2.318 0.742 0.517 0.900 0.550 CB 1.610 41 residues pruned to eliminate duplicates Z: 13 40.048 2.327 1.537 0.838 0.917 0.833 CB 1.596 13 residues pruned to eliminate duplicates Z: 30 37.421 2.392 0.931 0.532 0.862 0.655 CB 1.691 30 residues pruned to eliminate duplicates Z: 36 34.853 2.320 0.789 0.503 0.886 0.629 CB 1.597 36 residues pruned to eliminate duplicates Z: 27 34.502 2.441 0.952 0.525 0.846 0.500 CB 1.638 27 residues pruned to eliminate duplicates Z: 39 31.305 2.271 0.763 0.418 0.842 0.526 CA 1.641 39 residues pruned to eliminate duplicates Z: 28 38.385 2.367 0.820 0.439 1.000 0.630 CB 1.827 28 residues pruned to eliminate duplicates Z: 23 22.188 2.231 0.701 0.332 0.909 0.545 CA 1.648 21 residues pruned to eliminate duplicates Z: 8 10.162 1.916 0.619 0.426 0.857 0.571 CB 1.560 8 residues pruned to eliminate duplicates Z: 29 38.505 2.464 0.944 0.513 0.893 0.714 CB 1.679 29 residues pruned to eliminate duplicates Z: 27 37.331 2.348 0.963 0.490 0.923 0.538 CB 1.738 28 residues pruned to eliminate duplicates Z: 6 4.334 1.567 0.441 0.465 0.800 0.400 CA 1.112 6 residues pruned to eliminate duplicates Z: 15 10.251 2.041 0.529 0.302 0.857 0.357 CB 1.277 15 residues pruned to eliminate duplicates Z: 11 9.261 1.962 0.640 0.321 0.900 0.400 CA 1.233 11 residues pruned to eliminate duplicates Z: 33 24.458 2.158 1.137 0.394 0.750 0.406 CB 1.398 33 residues pruned to eliminate duplicates Z: 54 25.019 2.108 0.662 0.332 0.792 0.472 CB 1.487 102 residues pruned to eliminate duplicates Z: 6 9.507 2.039 0.435 0.510 1.000 0.200 CB 1.439 Z: 6 4.896 1.722 0.843 0.325 0.800 0.400 CA 1.045 6 residues pruned to eliminate duplicates Z: 55 37.315 2.250 0.861 0.468 0.815 0.519 CB 1.539 55 residues pruned to eliminate duplicates Z: 19 24.655 2.213 0.898 0.469 0.889 0.611 CB 1.606 19 residues pruned to eliminate duplicates Z: 22 29.646 2.200 1.050 0.486 0.857 0.524 CB 1.698 22 residues pruned to eliminate duplicates Z: 26 24.845 2.140 1.101 0.461 0.840 0.520 CB 1.369 26 residues pruned to eliminate duplicates Z: 29 26.995 2.169 0.909 0.413 0.821 0.571 CB 1.642 29 residues pruned to eliminate duplicates Z: 85 53.144 2.303 0.864 0.462 0.869 0.512 CB 1.615 85 residues pruned to eliminate duplicates Z: 21 30.283 2.253 0.902 0.492 0.950 0.600 CA 1.678 21 residues pruned to eliminate duplicates Z: 22 35.310 2.228 1.137 0.549 0.952 0.667 CB 1.620 22 residues pruned to eliminate duplicates Z: 23 34.454 2.298 1.097 0.565 0.909 0.682 CB 1.574 29 residues pruned to eliminate duplicates Z: 17 12.148 2.010 0.637 0.309 0.812 0.562 CB 1.404 17 residues pruned to eliminate duplicates Z: 27 24.732 2.224 0.808 0.467 0.808 0.500 CB 1.544 27 residues pruned to eliminate duplicates Z: 25 29.447 2.260 0.910 0.458 0.833 0.583 CA 1.745 25 residues pruned to eliminate duplicates Z: 74 57.195 2.284 0.878 0.512 0.904 0.548 CB 1.707 74 residues pruned to eliminate duplicates Z: 14 13.761 2.176 0.736 0.503 0.769 0.692 CB 1.309 14 residues pruned to eliminate duplicates Z: 9 9.507 2.053 0.834 0.392 0.875 0.500 CB 1.144 9 residues pruned to eliminate duplicates Z: 68 51.068 2.376 0.905 0.432 0.851 0.507 CB 1.739 68 residues pruned to eliminate duplicates Z: 32 23.390 2.161 0.814 0.416 0.871 0.516 CB 1.343 32 residues pruned to eliminate duplicates Z: 6 8.257 2.069 0.717 0.383 1.000 0.600 CB 1.177 Z: 89 69.183 2.365 1.001 0.496 0.920 0.534 CB 1.700 89 residues pruned to eliminate duplicates Z: 91 80.856 2.375 1.035 0.533 0.956 0.600 CB 1.787 91 residues pruned to eliminate duplicates Z: 89 65.238 2.348 0.935 0.515 0.909 0.489 CB 1.658 89 residues pruned to eliminate duplicates Z: 34 43.826 2.403 0.962 0.519 0.939 0.697 CB 1.691 34 residues pruned to eliminate duplicates Z: 44 47.285 2.417 0.950 0.466 0.953 0.558 CB 1.660 44 residues pruned to eliminate duplicates Z: 88 70.404 2.383 0.918 0.542 0.920 0.563 CB 1.724 88 residues pruned to eliminate duplicates Z: 33 49.882 2.462 1.063 0.544 0.938 0.531 CB 1.774 33 residues pruned to eliminate duplicates Z: 45 50.893 2.399 1.057 0.511 0.932 0.705 CB 1.649 45 residues pruned to eliminate duplicates Z: 39 49.205 2.389 1.115 0.502 0.895 0.474 CA 1.763 39 residues pruned to eliminate duplicates Z: 87 66.706 2.378 0.982 0.521 0.860 0.547 CB 1.738 87 residues pruned to eliminate duplicates Z: 97 54.236 2.281 0.890 0.479 0.833 0.458 CB 1.574 97 residues pruned to eliminate duplicates Z: 55 51.677 2.371 1.018 0.480 0.870 0.574 CB 1.724 55 residues pruned to eliminate duplicates Z: 82 72.893 2.392 1.042 0.553 0.901 0.556 CB 1.747 82 residues pruned to eliminate duplicates Z: 56 41.372 2.317 0.910 0.499 0.818 0.436 CB 1.543 56 residues pruned to eliminate duplicates Z: 59 62.869 2.340 1.064 0.541 0.914 0.552 CB 1.796 59 residues pruned to eliminate duplicates Z: 64 60.047 2.367 0.988 0.524 0.905 0.460 CB 1.735 64 residues pruned to eliminate duplicates Z: 71 69.454 2.398 1.061 0.531 0.914 0.500 CB 1.782 71 residues pruned to eliminate duplicates Z: 97 58.895 2.319 0.957 0.473 0.812 0.479 CB 1.676 97 residues pruned to eliminate duplicates Z: 88 66.529 2.355 1.006 0.509 0.885 0.460 CB 1.691 88 residues pruned to eliminate duplicates Z: 73 46.862 2.275 0.947 0.463 0.833 0.542 CB 1.553 73 residues pruned to eliminate duplicates Z: 70 56.433 2.295 0.989 0.490 0.913 0.594 CB 1.647 70 residues pruned to eliminate duplicates Z: 63 47.904 2.247 0.922 0.499 0.887 0.355 CB 1.589 63 residues pruned to eliminate duplicates Z: 55 54.984 2.370 1.051 0.509 0.889 0.389 CB 1.717 55 residues pruned to eliminate duplicates Z: 52 61.701 2.429 1.154 0.505 0.902 0.471 CB 1.821 52 residues pruned to eliminate duplicates Z: 72 58.688 2.343 1.029 0.500 0.845 0.408 CB 1.733 72 residues pruned to eliminate duplicates Z: 68 58.589 2.389 1.000 0.487 0.881 0.433 CB 1.724 68 residues pruned to eliminate duplicates Z: 58 57.846 2.349 1.189 0.495 0.912 0.526 CB 1.642 58 residues pruned to eliminate duplicates Z: 53 42.428 2.286 0.971 0.414 0.808 0.423 CB 1.769 53 residues pruned to eliminate duplicates Z: 113 80.760 2.386 1.046 0.525 0.893 0.536 CB 1.709 113 residues pruned to eliminate duplicates Z: 59 48.220 2.302 1.104 0.436 0.862 0.397 CB 1.620 59 residues pruned to eliminate duplicates Z: 92 78.217 2.400 0.999 0.537 0.923 0.484 CB 1.785 92 residues pruned to eliminate duplicates Z: 69 57.196 2.358 0.973 0.520 0.882 0.456 CB 1.657 69 residues pruned to eliminate duplicates Z: 56 59.379 2.339 1.195 0.537 0.927 0.364 CB 1.622 56 residues pruned to eliminate duplicates Z: 48 46.930 2.365 1.021 0.454 0.894 0.447 CB 1.681 48 residues pruned to eliminate duplicates Z: 47 47.895 2.336 0.973 0.480 0.848 0.543 CB 1.843 47 residues pruned to eliminate duplicates Z: 85 60.751 2.299 1.127 0.493 0.857 0.440 CB 1.592 85 residues pruned to eliminate duplicates Z: 53 44.167 2.296 0.999 0.453 0.865 0.500 CB 1.619 53 residues pruned to eliminate duplicates Z: 93 67.522 2.325 1.034 0.469 0.913 0.413 CB 1.682 93 residues pruned to eliminate duplicates Z: 50 55.159 2.413 1.056 0.520 0.918 0.490 CB 1.696 50 residues pruned to eliminate duplicates Z: 51 55.598 2.349 1.052 0.531 0.880 0.620 CA 1.798 51 residues pruned to eliminate duplicates Z: 72 67.413 2.401 0.994 0.504 0.930 0.577 CB 1.790 72 residues pruned to eliminate duplicates Z: 28 38.146 2.344 0.937 0.504 0.889 0.519 CA 1.813 28 residues pruned to eliminate duplicates Z: 46 51.837 2.389 1.024 0.496 0.933 0.511 CB 1.719 46 residues pruned to eliminate duplicates Z: 91 86.824 2.421 1.093 0.571 0.922 0.567 CB 1.828 91 residues pruned to eliminate duplicates Z: 67 64.300 2.363 1.116 0.531 0.879 0.424 CB 1.747 67 residues pruned to eliminate duplicates Z: 91 81.396 2.364 1.082 0.544 0.944 0.511 CB 1.768 91 residues pruned to eliminate duplicates Z: 84 62.749 2.315 1.113 0.507 0.843 0.458 CB 1.658 84 residues pruned to eliminate duplicates Z: 63 67.805 2.419 1.128 0.537 0.919 0.500 CB 1.755 63 residues pruned to eliminate duplicates Z: 50 59.088 2.401 0.954 0.574 0.939 0.592 CA 1.784 50 residues pruned to eliminate duplicates Z: 71 67.650 2.390 1.056 0.527 0.929 0.443 CB 1.725 71 residues pruned to eliminate duplicates Z: 58 52.658 2.301 0.945 0.518 0.912 0.474 CB 1.677 58 residues pruned to eliminate duplicates Z: 82 75.822 2.423 1.095 0.552 0.877 0.531 CB 1.800 82 residues pruned to eliminate duplicates Z: 97 77.862 2.352 1.064 0.530 0.938 0.531 CB 1.695 97 residues pruned to eliminate duplicates Z: 91 70.522 2.370 1.066 0.503 0.878 0.589 CB 1.724 91 residues pruned to eliminate duplicates Z: 49 50.385 2.305 1.025 0.483 0.896 0.583 CB 1.769 49 residues pruned to eliminate duplicates Z: 27 44.873 2.389 1.052 0.569 0.962 0.615 CA 1.746 27 residues pruned to eliminate duplicates Z: 95 82.316 2.372 1.082 0.550 0.926 0.617 CB 1.768 95 residues pruned to eliminate duplicates Z: 77 63.814 2.340 1.051 0.502 0.921 0.526 CB 1.653 77 residues pruned to eliminate duplicates Z: 72 57.892 2.337 1.031 0.516 0.887 0.549 CB 1.606 72 residues pruned to eliminate duplicates Z: 90 64.343 2.293 1.182 0.474 0.843 0.539 CB 1.661 90 residues pruned to eliminate duplicates Z: 107 94.916 2.403 1.177 0.563 0.953 0.651 CB 1.740 107 residues pruned to eliminate duplicates Z: 53 58.951 2.355 1.017 0.602 0.923 0.635 CA 1.692 53 residues pruned to eliminate duplicates Z: 99 73.210 2.348 1.079 0.534 0.888 0.561 CB 1.651 99 residues pruned to eliminate duplicates Z: 112 88.025 2.383 1.145 0.546 0.910 0.568 CB 1.718 112 residues pruned to eliminate duplicates Z: 92 81.028 2.371 1.093 0.566 0.945 0.582 CB 1.699 92 residues pruned to eliminate duplicates Z: 23 48.539 2.370 1.133 0.677 0.955 0.818 CA 1.823 23 residues pruned to eliminate duplicates Z: 133 77.890 2.309 0.999 0.507 0.894 0.508 CB 1.631 133 residues pruned to eliminate duplicates Z: 84 90.196 2.428 1.161 0.575 0.976 0.566 CB 1.799 84 residues pruned to eliminate duplicates Z: 24 48.187 2.383 1.198 0.629 0.957 0.696 CB 1.776 24 residues pruned to eliminate duplicates Z: 93 93.695 2.397 1.173 0.581 0.978 0.641 CB 1.773 93 residues pruned to eliminate duplicates Z: 85 69.889 2.334 1.066 0.501 0.917 0.560 CB 1.723 85 residues pruned to eliminate duplicates Z: 97 77.982 2.357 1.033 0.537 0.938 0.604 CB 1.709 97 residues pruned to eliminate duplicates Z: 108 89.922 2.407 1.087 0.553 0.935 0.589 CB 1.759 108 residues pruned to eliminate duplicates Z: 51 63.442 2.399 1.118 0.597 0.880 0.720 CA 1.830 51 residues pruned to eliminate duplicates Z: 45 28.107 2.139 0.790 0.449 0.773 0.545 CB 1.509 45 residues pruned to eliminate duplicates Z: 92 87.082 2.407 1.128 0.573 0.945 0.516 CB 1.758 92 residues pruned to eliminate duplicates Z: 110 83.451 2.350 1.139 0.530 0.908 0.541 CB 1.699 110 residues pruned to eliminate duplicates Z: 23 44.130 2.399 0.918 0.665 1.000 0.682 CB 1.756 23 residues pruned to eliminate duplicates Z: 54 59.804 2.316 1.048 0.589 0.925 0.642 CA 1.720 54 residues pruned to eliminate duplicates Z: 25 41.435 2.326 1.069 0.617 0.917 0.750 CB 1.716 25 residues pruned to eliminate duplicates Z: 25 40.461 2.293 1.086 0.624 0.917 0.708 CA 1.676 25 residues pruned to eliminate duplicates Z: 86 87.104 2.419 1.182 0.590 0.953 0.612 CB 1.723 86 residues pruned to eliminate duplicates Z: 100 77.826 2.361 1.068 0.543 0.899 0.576 CB 1.709 100 residues pruned to eliminate duplicates Z: 27 42.290 2.268 1.134 0.573 0.923 0.654 CA 1.731 27 residues pruned to eliminate duplicates Z: 53 54.235 2.389 0.947 0.586 0.885 0.558 CB 1.683 53 residues pruned to eliminate duplicates Z: 41 40.812 2.335 0.867 0.550 0.900 0.550 CB 1.566 41 residues pruned to eliminate duplicates Z: 11 4.405 1.747 0.474 0.331 0.800 0.300 CB 0.814 11 residues pruned to eliminate duplicates Z: 18 22.073 2.245 0.809 0.537 0.882 0.529 CB 1.440 18 residues pruned to eliminate duplicates Z: 17 19.869 2.132 0.913 0.545 0.750 0.438 CB 1.554 17 residues pruned to eliminate duplicates Z: 18 23.774 2.239 0.870 0.526 0.882 0.412 CB 1.522 18 residues pruned to eliminate duplicates Z: 30 26.802 2.232 0.785 0.473 0.793 0.552 CB 1.619 30 residues pruned to eliminate duplicates Z: 33 26.607 2.126 0.729 0.477 0.875 0.531 CB 1.497 33 residues pruned to eliminate duplicates Z: 18 24.422 2.253 0.788 0.528 0.941 0.471 CB 1.519 18 residues pruned to eliminate duplicates Z: 19 24.525 2.228 0.803 0.555 0.889 0.444 CB 1.534 19 residues pruned to eliminate duplicates Z: 39 49.685 2.358 1.078 0.599 0.895 0.605 CB 1.673 39 residues pruned to eliminate duplicates Z: 77 61.853 2.337 1.046 0.510 0.895 0.500 CB 1.642 77 residues pruned to eliminate duplicates Z: 18 21.223 2.215 0.749 0.520 0.882 0.529 CB 1.476 18 residues pruned to eliminate duplicates Z: 12 21.175 2.245 0.746 0.566 0.909 0.545 CB 1.680 12 residues pruned to eliminate duplicates Z: 123 85.400 2.380 1.021 0.546 0.910 0.549 CB 1.689 123 residues pruned to eliminate duplicates Z: 21 21.352 2.195 0.687 0.491 0.900 0.450 CB 1.445 21 residues pruned to eliminate duplicates Z: 26 28.901 2.164 0.805 0.473 0.960 0.520 CB 1.585 26 residues pruned to eliminate duplicates Z: 96 78.820 2.376 1.093 0.542 0.916 0.579 CB 1.703 96 residues pruned to eliminate duplicates Z: 35 29.131 2.110 0.717 0.517 0.912 0.559 CB 1.487 35 residues pruned to eliminate duplicates Z: 21 29.910 2.257 0.702 0.539 0.950 0.750 CB 1.763 21 residues pruned to eliminate duplicates Z: 80 65.634 2.345 0.967 0.530 0.924 0.582 CB 1.682 80 residues pruned to eliminate duplicates Z: 54 44.306 2.230 0.878 0.580 0.925 0.660 CB 1.456 54 residues pruned to eliminate duplicates Z: 31 25.854 2.240 0.595 0.457 0.967 0.633 CB 1.429 31 residues pruned to eliminate duplicates Z: 32 29.653 2.297 0.678 0.448 0.903 0.548 CB 1.614 32 residues pruned to eliminate duplicates Z: 69 40.310 2.356 0.737 0.431 0.824 0.588 CB 1.558 69 residues pruned to eliminate duplicates Z: 63 40.230 2.292 0.785 0.506 0.806 0.597 CB 1.539 63 residues pruned to eliminate duplicates Z: 16 17.796 2.272 0.565 0.356 0.933 0.467 CB 1.618 16 residues pruned to eliminate duplicates Z: 40 28.180 2.253 0.728 0.395 0.846 0.487 CB 1.531 40 residues pruned to eliminate duplicates Z: 18 17.237 2.140 0.900 0.330 0.824 0.471 CB 1.504 18 residues pruned to eliminate duplicates Z: 30 24.293 2.263 0.592 0.443 0.897 0.552 CB 1.481 30 residues pruned to eliminate duplicates Z: 18 18.571 2.278 0.656 0.332 0.824 0.529 CB 1.743 18 residues pruned to eliminate duplicates Z: 15 18.917 2.281 0.731 0.425 0.929 0.429 CB 1.491 15 residues pruned to eliminate duplicates Z: 15 16.298 2.175 0.877 0.412 0.857 0.429 CB 1.365 15 residues pruned to eliminate duplicates Z: 18 15.883 2.173 0.728 0.369 0.882 0.529 CB 1.338 18 residues pruned to eliminate duplicates Z: 16 15.521 2.195 0.847 0.412 0.867 0.533 CB 1.251 16 residues pruned to eliminate duplicates Z: 7 20.014 2.496 1.124 0.536 0.833 0.500 CA 1.785 7 residues pruned to eliminate duplicates Z: 118 69.104 2.315 0.997 0.463 0.906 0.470 CB 1.585 118 residues pruned to eliminate duplicates Z: 17 14.730 2.201 0.721 0.403 0.812 0.625 CB 1.325 17 residues pruned to eliminate duplicates Z: 22 16.791 2.090 0.791 0.410 0.857 0.381 CB 1.254 22 residues pruned to eliminate duplicates Z: 59 44.240 2.423 0.725 0.481 0.879 0.621 CB 1.611 59 residues pruned to eliminate duplicates Z: 45 37.519 2.393 0.683 0.539 0.909 0.682 CB 1.488 45 residues pruned to eliminate duplicates Z: 13 12.369 2.123 0.491 0.479 0.917 0.667 CB 1.257 13 residues pruned to eliminate duplicates Z: 45 37.989 2.440 0.668 0.520 0.864 0.682 CB 1.597 45 residues pruned to eliminate duplicates Z: 16 13.169 2.014 0.566 0.559 0.933 0.600 CB 1.090 16 residues pruned to eliminate duplicates Z: 8 17.500 2.480 0.410 0.603 1.000 0.714 CA 1.715 8 residues pruned to eliminate duplicates Z: 43 44.936 2.502 0.796 0.514 0.905 0.762 CB 1.682 43 residues pruned to eliminate duplicates Z: 44 40.713 2.429 0.758 0.513 0.907 0.628 CB 1.583 44 residues pruned to eliminate duplicates Z: 29 37.692 2.425 0.687 0.622 0.964 0.750 CB 1.609 29 residues pruned to eliminate duplicates Z: 27 40.908 2.477 0.853 0.686 0.923 0.846 CB 1.597 27 residues pruned to eliminate duplicates Z: 45 46.876 2.470 0.918 0.487 0.909 0.705 CB 1.663 45 residues pruned to eliminate duplicates Z: 45 42.754 2.457 0.695 0.511 0.932 0.750 CB 1.644 45 residues pruned to eliminate duplicates Z: 45 44.162 2.462 0.811 0.495 0.909 0.636 CB 1.650 45 residues pruned to eliminate duplicates Z: 48 38.221 2.345 0.778 0.491 0.851 0.532 CB 1.585 48 residues pruned to eliminate duplicates Z: 45 44.328 2.449 0.806 0.501 0.909 0.614 CB 1.660 45 residues pruned to eliminate duplicates Z: 27 38.588 2.420 0.928 0.576 0.962 0.538 CB 1.568 27 residues pruned to eliminate duplicates Z: 26 44.608 2.412 1.098 0.629 0.920 0.640 CB 1.698 26 residues pruned to eliminate duplicates Z: 45 38.937 2.397 0.801 0.486 0.864 0.659 CB 1.598 45 residues pruned to eliminate duplicates Z: 42 41.638 2.490 0.807 0.524 0.878 0.683 CB 1.607 42 residues pruned to eliminate duplicates Z: 23 48.390 2.482 1.136 0.657 0.955 0.545 CB 1.762 23 residues pruned to eliminate duplicates Z: 44 44.557 2.447 0.855 0.532 0.884 0.535 CB 1.641 44 residues pruned to eliminate duplicates Z: 43 48.108 2.501 0.944 0.525 0.905 0.643 CB 1.646 43 residues pruned to eliminate duplicates Z: 32 35.747 2.517 0.839 0.487 0.903 0.677 CB 1.555 32 residues pruned to eliminate duplicates Z: 43 47.516 2.449 0.893 0.524 0.905 0.643 CB 1.707 43 residues pruned to eliminate duplicates Z: 43 41.788 2.427 1.008 0.488 0.857 0.571 CB 1.562 43 residues pruned to eliminate duplicates Z: 43 49.172 2.495 1.014 0.522 0.881 0.667 CB 1.677 43 residues pruned to eliminate duplicates Z: 44 47.840 2.509 1.011 0.510 0.884 0.558 CB 1.620 44 residues pruned to eliminate duplicates Z: 42 47.191 2.462 1.107 0.501 0.902 0.585 CB 1.573 42 residues pruned to eliminate duplicates Z: 42 39.767 2.437 0.806 0.490 0.902 0.561 CB 1.580 42 residues pruned to eliminate duplicates Z: 48 32.603 2.318 0.873 0.428 0.809 0.532 CB 1.460 48 residues pruned to eliminate duplicates Z: 19 19.339 2.371 0.776 0.334 0.833 0.556 CB 1.557 19 residues pruned to eliminate duplicates Z: 43 39.293 2.399 0.896 0.436 0.857 0.500 CB 1.661 43 residues pruned to eliminate duplicates Z: 42 49.830 2.484 1.179 0.541 0.878 0.512 CB 1.573 42 residues pruned to eliminate duplicates Z: 44 47.750 2.484 0.913 0.545 0.907 0.651 CB 1.618 44 residues pruned to eliminate duplicates Z: 40 41.768 2.454 0.976 0.490 0.872 0.564 CB 1.599 40 residues pruned to eliminate duplicates Z: 45 50.621 2.451 1.036 0.505 0.909 0.682 CB 1.673 45 residues pruned to eliminate duplicates Z: 19 17.402 2.361 0.716 0.291 0.833 0.389 CB 1.535 19 residues pruned to eliminate duplicates Z: 42 48.306 2.470 1.109 0.557 0.902 0.512 CB 1.518 44 residues pruned to eliminate duplicates Z: 6 3.896 1.742 0.536 0.285 1.000 0.600 CA 0.830 6 residues pruned to eliminate duplicates Z: 44 50.650 2.467 0.978 0.559 0.907 0.651 CB 1.647 44 residues pruned to eliminate duplicates Z: 45 51.361 2.467 1.063 0.524 0.932 0.523 CB 1.593 45 residues pruned to eliminate duplicates Z: 44 57.880 2.494 1.206 0.531 0.930 0.465 CB 1.673 44 residues pruned to eliminate duplicates Z: 41 37.091 2.283 0.940 0.420 0.875 0.450 CB 1.644 Z: 7 4.085 1.753 0.869 0.315 0.667 0.500 CA 0.937 7 residues pruned to eliminate duplicates Z: 42 44.361 2.354 0.906 0.487 0.927 0.488 CA 1.688 83 residues pruned to eliminate duplicates Z: 45 37.061 2.236 0.879 0.440 0.886 0.477 CB 1.596 Z: 7 6.929 1.445 1.088 0.289 1.000 0.667 N 1.189 Z: 7 5.247 1.767 0.456 0.518 0.833 0.833 CB 0.981 Z: 6 4.988 1.916 0.677 0.289 0.800 0.200 CB 1.100 Z: 6 6.052 1.647 0.505 0.508 1.000 0.400 C 1.083 Z: 8 6.166 1.508 0.703 0.471 0.857 0.429 CA 1.090 Z: 8 7.126 1.808 0.753 0.442 0.857 0.143 CB 1.052 8 residues pruned to eliminate duplicates Z: 28 32.376 2.291 1.031 0.362 0.852 0.556 CB 1.825 28 residues pruned to eliminate duplicates Z: 23 27.500 2.268 0.931 0.438 0.864 0.591 CB 1.652 23 residues pruned to eliminate duplicates Z: 85 56.937 2.311 0.947 0.477 0.881 0.560 CB 1.605 85 residues pruned to eliminate duplicates Z: 26 31.875 2.246 1.068 0.398 0.840 0.440 CB 1.819 26 residues pruned to eliminate duplicates Z: 62 57.349 2.359 1.225 0.495 0.902 0.590 CB 1.560 84 residues pruned to eliminate duplicates Z: 6 8.090 1.681 1.107 0.395 1.000 0.800 CA 1.142 6 residues pruned to eliminate duplicates Z: 30 26.581 2.181 1.041 0.317 0.828 0.379 CB 1.640 30 residues pruned to eliminate duplicates Z: 24 29.160 2.325 0.882 0.440 0.783 0.522 CA 1.889 24 residues pruned to eliminate duplicates Z: 93 59.073 2.348 0.914 0.423 0.859 0.500 CB 1.728 93 residues pruned to eliminate duplicates Z: 84 52.081 2.299 0.819 0.459 0.880 0.578 CB 1.621 84 residues pruned to eliminate duplicates Z: 101 52.561 2.288 0.763 0.482 0.870 0.430 CB 1.526 101 residues pruned to eliminate duplicates Z: 23 34.229 2.336 1.129 0.444 0.864 0.455 CB 1.800 23 residues pruned to eliminate duplicates Z: 31 29.056 2.318 0.896 0.330 0.833 0.467 CB 1.746 31 residues pruned to eliminate duplicates Z: 15 18.070 2.208 0.653 0.469 0.786 0.571 CA 1.737 15 residues pruned to eliminate duplicates Z: 33 24.999 2.142 0.933 0.360 0.781 0.375 CB 1.589 33 residues pruned to eliminate duplicates Z: 39 38.714 2.424 0.797 0.530 0.842 0.632 CB 1.662 39 residues pruned to eliminate duplicates Z: 25 29.447 2.300 1.134 0.436 0.792 0.458 CB 1.653 25 residues pruned to eliminate duplicates Z: 22 25.273 2.306 0.833 0.399 0.857 0.429 CA 1.692 22 residues pruned to eliminate duplicates Z: 94 54.443 2.295 0.849 0.453 0.892 0.548 CB 1.564 94 residues pruned to eliminate duplicates Z: 60 48.713 2.410 0.871 0.457 0.864 0.525 CB 1.699 60 residues pruned to eliminate duplicates Z: 34 21.693 2.066 0.666 0.446 0.818 0.485 CB 1.417 34 residues pruned to eliminate duplicates Z: 48 38.052 2.391 0.759 0.459 0.830 0.447 CB 1.658 48 residues pruned to eliminate duplicates Z: 83 49.863 2.290 0.788 0.457 0.878 0.476 CB 1.601 83 residues pruned to eliminate duplicates Z: 71 55.359 2.330 1.071 0.474 0.871 0.529 CB 1.615 71 residues pruned to eliminate duplicates Z: 55 40.385 2.317 0.742 0.497 0.870 0.611 CB 1.568 55 residues pruned to eliminate duplicates Z: 81 51.601 2.317 0.817 0.497 0.863 0.562 CB 1.593 81 residues pruned to eliminate duplicates Z: 50 45.249 2.401 0.875 0.524 0.857 0.490 CB 1.636 50 residues pruned to eliminate duplicates Z: 25 25.629 2.150 1.006 0.582 0.792 0.417 CB 1.416 25 residues pruned to eliminate duplicates Z: 29 28.884 2.293 0.709 0.598 0.857 0.536 CB 1.479 29 residues pruned to eliminate duplicates Z: 109 59.178 2.319 0.866 0.441 0.870 0.537 CB 1.607 109 residues pruned to eliminate duplicates Z: 39 44.096 2.422 0.877 0.549 0.947 0.632 CB 1.583 39 residues pruned to eliminate duplicates Z: 41 37.578 2.352 0.780 0.498 0.875 0.600 CB 1.626 41 residues pruned to eliminate duplicates Z: 43 40.810 2.321 0.909 0.534 0.857 0.571 CB 1.603 43 residues pruned to eliminate duplicates Z: 29 28.800 2.215 0.851 0.562 0.821 0.607 CB 1.522 29 residues pruned to eliminate duplicates Z: 92 53.865 2.367 0.885 0.448 0.813 0.549 CB 1.641 92 residues pruned to eliminate duplicates Z: 56 49.722 2.314 0.921 0.515 0.909 0.582 CB 1.635 56 residues pruned to eliminate duplicates Z: 38 50.022 2.435 0.918 0.569 0.973 0.649 CB 1.693 38 residues pruned to eliminate duplicates Z: 84 66.526 2.362 1.021 0.501 0.928 0.494 CB 1.647 84 residues pruned to eliminate duplicates Z: 48 46.590 2.391 0.929 0.551 0.872 0.617 CB 1.606 48 residues pruned to eliminate duplicates Z: 83 57.121 2.329 0.892 0.481 0.878 0.427 CB 1.661 83 residues pruned to eliminate duplicates Z: 43 43.199 2.430 0.902 0.519 0.857 0.524 CB 1.652 43 residues pruned to eliminate duplicates Z: 38 41.185 2.361 0.920 0.482 0.919 0.595 CB 1.655 38 residues pruned to eliminate duplicates Z: 79 51.496 2.300 0.934 0.479 0.885 0.423 CB 1.514 79 residues pruned to eliminate duplicates Z: 61 52.988 2.322 0.919 0.533 0.933 0.500 CB 1.591 61 residues pruned to eliminate duplicates Z: 30 50.084 2.442 1.122 0.598 0.966 0.621 CB 1.693 30 residues pruned to eliminate duplicates Z: 65 48.913 2.330 0.838 0.500 0.875 0.516 CB 1.631 65 residues pruned to eliminate duplicates Z: 89 60.004 2.356 0.937 0.473 0.898 0.534 CB 1.605 89 residues pruned to eliminate duplicates Z: 50 47.420 2.404 0.950 0.539 0.857 0.592 CB 1.624 50 residues pruned to eliminate duplicates Z: 73 57.040 2.342 0.921 0.474 0.889 0.514 CB 1.725 73 residues pruned to eliminate duplicates Z: 31 32.424 2.326 0.897 0.422 0.867 0.500 CB 1.679 31 residues pruned to eliminate duplicates Z: 77 56.193 2.345 0.976 0.497 0.829 0.539 CB 1.682 77 residues pruned to eliminate duplicates Z: 70 60.944 2.388 1.069 0.521 0.870 0.507 CB 1.672 70 residues pruned to eliminate duplicates Z: 50 46.490 2.379 1.008 0.506 0.857 0.531 CB 1.612 50 residues pruned to eliminate duplicates Z: 55 47.597 2.371 0.939 0.494 0.870 0.519 CB 1.629 55 residues pruned to eliminate duplicates Z: 47 44.469 2.425 0.987 0.480 0.848 0.500 CB 1.638 47 residues pruned to eliminate duplicates Z: 54 38.846 2.305 0.965 0.444 0.868 0.547 CB 1.438 54 residues pruned to eliminate duplicates Z: 57 54.453 2.335 1.076 0.498 0.875 0.554 CB 1.719 57 residues pruned to eliminate duplicates Z: 26 23.398 2.158 0.901 0.499 0.760 0.400 CB 1.503 26 residues pruned to eliminate duplicates Z: 61 47.487 2.286 0.880 0.505 0.900 0.550 CB 1.577 61 residues pruned to eliminate duplicates Z: 83 60.716 2.314 0.939 0.506 0.915 0.549 CB 1.624 83 residues pruned to eliminate duplicates Z: 55 43.538 2.331 0.871 0.487 0.889 0.537 CB 1.548 55 residues pruned to eliminate duplicates Z: 88 60.643 2.283 1.010 0.487 0.874 0.517 CB 1.644 88 residues pruned to eliminate duplicates Z: 57 56.530 2.336 1.081 0.528 0.946 0.643 CB 1.597 57 residues pruned to eliminate duplicates Z: 62 46.211 2.229 0.902 0.505 0.885 0.557 CB 1.569 62 residues pruned to eliminate duplicates Z: 93 66.819 2.295 1.037 0.500 0.935 0.609 CB 1.593 93 residues pruned to eliminate duplicates Z: 28 27.244 2.110 0.930 0.481 0.852 0.333 CB 1.540 28 residues pruned to eliminate duplicates Z: 102 61.647 2.306 0.906 0.489 0.871 0.545 CB 1.620 102 residues pruned to eliminate duplicates Z: 91 59.184 2.295 0.911 0.474 0.911 0.511 CB 1.602 91 residues pruned to eliminate duplicates Z: 29 27.050 2.101 1.082 0.470 0.786 0.321 CB 1.533 29 residues pruned to eliminate duplicates Z: 62 55.528 2.322 1.094 0.560 0.885 0.508 CB 1.558 62 residues pruned to eliminate duplicates Z: 24 37.489 2.214 1.251 0.582 0.913 0.609 CB 1.587 24 residues pruned to eliminate duplicates Z: 67 63.366 2.347 1.065 0.558 0.924 0.576 CB 1.645 67 residues pruned to eliminate duplicates Z: 38 30.640 2.159 1.013 0.418 0.838 0.432 CB 1.507 38 residues pruned to eliminate duplicates Z: 63 58.896 2.307 1.079 0.563 0.952 0.484 CB 1.542 63 residues pruned to eliminate duplicates Z: 59 53.071 2.329 1.105 0.532 0.897 0.448 CB 1.536 59 residues pruned to eliminate duplicates Z: 83 60.335 2.328 1.001 0.508 0.866 0.549 CB 1.638 83 residues pruned to eliminate duplicates Z: 58 55.945 2.319 0.939 0.530 0.930 0.579 CB 1.720 58 residues pruned to eliminate duplicates Z: 66 55.689 2.347 0.914 0.504 0.938 0.462 CB 1.632 66 residues pruned to eliminate duplicates Z: 92 72.614 2.334 1.094 0.514 0.901 0.505 CB 1.704 92 residues pruned to eliminate duplicates Z: 76 69.697 2.327 1.141 0.530 0.973 0.573 CB 1.612 76 residues pruned to eliminate duplicates Z: 114 72.016 2.299 1.028 0.474 0.912 0.558 CB 1.636 114 residues pruned to eliminate duplicates Z: 24 23.508 2.257 0.981 0.408 0.783 0.522 CB 1.542 24 residues pruned to eliminate duplicates Z: 39 42.514 2.335 0.904 0.533 0.895 0.605 CB 1.678 39 residues pruned to eliminate duplicates Z: 38 44.300 2.329 0.865 0.555 0.946 0.622 CB 1.680 38 residues pruned to eliminate duplicates Z: 31 31.229 2.230 0.961 0.519 0.867 0.700 CB 1.476 31 residues pruned to eliminate duplicates Z: 42 48.750 2.291 0.969 0.555 0.927 0.634 CB 1.726 42 residues pruned to eliminate duplicates Z: 36 51.100 2.416 1.030 0.568 0.914 0.629 CB 1.804 36 residues pruned to eliminate duplicates Z: 41 40.741 2.306 0.878 0.564 0.850 0.550 CB 1.645 41 residues pruned to eliminate duplicates Z: 21 37.983 2.368 1.015 0.666 0.950 0.700 CB 1.607 21 residues pruned to eliminate duplicates Z: 39 52.389 2.337 1.106 0.575 0.947 0.553 CB 1.695 39 residues pruned to eliminate duplicates Z: 38 46.014 2.361 0.988 0.555 0.865 0.595 CB 1.766 38 residues pruned to eliminate duplicates Z: 38 39.741 2.338 0.923 0.534 0.838 0.622 CB 1.678 38 residues pruned to eliminate duplicates Z: 30 33.763 2.168 1.012 0.534 0.862 0.586 CB 1.611 30 residues pruned to eliminate duplicates Z: 23 35.448 2.284 1.034 0.644 0.909 0.591 CB 1.564 23 residues pruned to eliminate duplicates Z: 51 43.811 2.299 0.876 0.500 0.860 0.540 CB 1.671 51 residues pruned to eliminate duplicates Z: 39 45.342 2.351 0.931 0.559 0.921 0.553 CB 1.661 39 residues pruned to eliminate duplicates Z: 17 26.742 2.360 0.876 0.396 0.938 0.375 CB 1.798 17 residues pruned to eliminate duplicates Z: 43 37.599 2.205 0.909 0.519 0.833 0.548 CB 1.623 43 residues pruned to eliminate duplicates Z: 19 26.667 2.313 0.865 0.455 0.833 0.389 CA 1.831 19 residues pruned to eliminate duplicates Z: 17 29.584 2.357 0.839 0.486 0.938 0.500 CA 1.846 17 residues pruned to eliminate duplicates Z: 18 31.660 2.329 1.048 0.497 0.882 0.412 CB 1.830 18 residues pruned to eliminate duplicates Z: 22 25.658 2.208 0.860 0.492 0.857 0.381 CA 1.605 22 residues pruned to eliminate duplicates Z: 52 39.207 2.307 0.761 0.467 0.843 0.529 CB 1.658 52 residues pruned to eliminate duplicates Z: 20 27.015 2.266 0.741 0.476 0.895 0.526 CA 1.799 20 residues pruned to eliminate duplicates Z: 9 23.249 2.510 1.067 0.476 0.875 0.750 CA 1.856 9 residues pruned to eliminate duplicates Z: 18 26.622 2.307 0.947 0.465 0.882 0.529 CB 1.688 18 residues pruned to eliminate duplicates Z: 18 18.842 2.310 0.704 0.414 0.706 0.471 CB 1.800 18 residues pruned to eliminate duplicates Z: 18 24.710 2.330 0.722 0.416 0.882 0.529 CB 1.849 18 residues pruned to eliminate duplicates Z: 40 46.208 2.339 0.930 0.592 0.872 0.667 CB 1.722 40 residues pruned to eliminate duplicates Z: 16 29.563 2.441 0.906 0.518 0.867 0.467 CA 1.859 16 residues pruned to eliminate duplicates Z: 17 32.170 2.430 0.750 0.555 1.000 0.375 CA 1.794 17 residues pruned to eliminate duplicates Z: 14 11.034 1.972 0.590 0.243 0.923 0.615 CA 1.424 14 residues pruned to eliminate duplicates Z: 20 15.966 2.149 0.759 0.339 0.842 0.474 CB 1.371 20 residues pruned to eliminate duplicates Z: 41 35.073 2.350 0.893 0.435 0.850 0.575 CB 1.568 41 residues pruned to eliminate duplicates Z: 20 19.298 2.117 0.712 0.402 0.947 0.579 CB 1.429 20 residues pruned to eliminate duplicates Z: 72 35.662 2.178 0.681 0.417 0.845 0.451 CB 1.492 72 residues pruned to eliminate duplicates Z: 19 18.947 2.245 0.623 0.470 0.944 0.500 CB 1.338 19 residues pruned to eliminate duplicates Z: 18 18.220 2.221 0.671 0.403 0.882 0.588 CB 1.495 18 residues pruned to eliminate duplicates Z: 22 18.642 2.283 0.652 0.396 0.857 0.476 CB 1.405 22 residues pruned to eliminate duplicates Z: 37 33.831 2.305 0.986 0.442 0.861 0.583 CB 1.519 37 residues pruned to eliminate duplicates Z: 12 14.264 2.135 0.565 0.382 0.909 0.818 CB 1.605 12 residues pruned to eliminate duplicates Z: 97 54.146 2.293 0.871 0.423 0.844 0.510 CB 1.653 93 residues pruned to eliminate duplicates Z: 6 3.309 1.573 0.574 0.327 0.800 0.200 CA 0.904 6 residues pruned to eliminate duplicates Z: 22 15.715 2.163 0.581 0.364 0.810 0.476 CB 1.434 22 residues pruned to eliminate duplicates Z: 36 35.218 2.265 0.957 0.463 0.914 0.600 CB 1.526 36 residues pruned to eliminate duplicates Z: 38 35.585 2.260 0.824 0.483 0.946 0.595 CB 1.525 38 residues pruned to eliminate duplicates Z: 37 34.477 2.235 0.963 0.481 0.917 0.528 CB 1.456 37 residues pruned to eliminate duplicates Z: 102 63.586 2.314 0.869 0.481 0.891 0.535 CB 1.673 102 residues pruned to eliminate duplicates Z: 41 36.676 2.246 0.969 0.418 0.900 0.525 CB 1.588 41 residues pruned to eliminate duplicates Z: 23 32.976 2.331 1.107 0.466 0.864 0.682 CB 1.716 23 residues pruned to eliminate duplicates Z: 28 30.830 2.266 0.872 0.458 0.926 0.519 CB 1.576 28 residues pruned to eliminate duplicates Z: 37 31.651 2.255 0.908 0.462 0.833 0.556 CB 1.529 48 residues pruned to eliminate duplicates Z: 6 5.922 1.829 0.365 0.441 1.000 0.600 CA 1.127 6 residues pruned to eliminate duplicates Z: 38 36.025 2.249 0.875 0.502 0.946 0.622 CB 1.481 38 residues pruned to eliminate duplicates Z: 42 27.246 2.225 0.705 0.384 0.829 0.463 CB 1.530 42 residues pruned to eliminate duplicates Z: 32 27.614 2.247 1.104 0.393 0.806 0.452 CB 1.456 32 residues pruned to eliminate duplicates Z: 30 21.840 2.141 1.021 0.435 0.828 0.483 CB 1.211 30 residues pruned to eliminate duplicates Z: 21 31.523 2.303 1.091 0.463 0.950 0.550 CB 1.600 21 residues pruned to eliminate duplicates Z: 37 30.350 2.240 0.955 0.400 0.861 0.444 CB 1.491 37 residues pruned to eliminate duplicates Z: 30 25.739 2.247 0.944 0.364 0.828 0.448 CB 1.530 30 residues pruned to eliminate duplicates Z: 25 27.113 2.283 0.844 0.404 0.875 0.500 CB 1.661 25 residues pruned to eliminate duplicates Z: 32 22.308 2.127 0.944 0.375 0.774 0.548 CB 1.431 32 residues pruned to eliminate duplicates Z: 6 11.332 2.253 0.193 0.636 1.000 0.800 CA 1.660 6 residues pruned to eliminate duplicates Z: 8 9.979 2.231 0.571 0.597 0.714 0.714 CB 1.373 8 residues pruned to eliminate duplicates Z: 35 25.550 2.232 0.836 0.379 0.765 0.559 CB 1.591 35 residues pruned to eliminate duplicates Z: 40 26.937 2.243 0.711 0.359 0.846 0.462 CB 1.545 40 residues pruned to eliminate duplicates Z: 69 50.957 2.375 0.860 0.453 0.838 0.500 CB 1.750 69 residues pruned to eliminate duplicates Z: 59 52.846 2.413 0.879 0.463 0.897 0.517 CB 1.773 59 residues pruned to eliminate duplicates Z: 100 54.731 2.269 0.863 0.453 0.859 0.515 CB 1.591 100 residues pruned to eliminate duplicates Z: 80 61.181 2.351 0.934 0.513 0.899 0.519 CB 1.664 80 residues pruned to eliminate duplicates Z: 108 57.346 2.277 0.785 0.467 0.869 0.505 CB 1.623 108 residues pruned to eliminate duplicates Z: 93 51.468 2.312 0.847 0.446 0.815 0.554 CB 1.630 93 residues pruned to eliminate duplicates Z: 39 48.520 2.418 0.939 0.541 0.947 0.553 CB 1.703 39 residues pruned to eliminate duplicates Z: 44 45.190 2.402 0.973 0.440 0.884 0.512 CB 1.751 44 residues pruned to eliminate duplicates Z: 70 55.755 2.357 0.971 0.468 0.870 0.580 CB 1.716 70 residues pruned to eliminate duplicates Z: 28 41.601 2.344 1.092 0.577 0.926 0.593 CB 1.637 28 residues pruned to eliminate duplicates Z: 43 48.164 2.431 0.979 0.488 0.905 0.619 CB 1.728 43 residues pruned to eliminate duplicates Z: 94 58.114 2.255 0.842 0.506 0.903 0.473 CB 1.596 114 residues pruned to eliminate duplicates Z: 47 45.620 2.365 0.915 0.510 0.870 0.478 CB 1.691 47 residues pruned to eliminate duplicates Z: 52 49.705 2.417 0.985 0.494 0.843 0.588 CB 1.731 52 residues pruned to eliminate duplicates Z: 49 44.474 2.286 0.872 0.496 0.896 0.438 CB 1.680 49 residues pruned to eliminate duplicates Z: 63 48.231 2.316 0.858 0.469 0.903 0.500 CB 1.626 63 residues pruned to eliminate duplicates Z: 95 58.093 2.298 0.869 0.481 0.894 0.521 CB 1.591 95 residues pruned to eliminate duplicates Z: 49 45.819 2.385 0.903 0.489 0.854 0.562 CB 1.725 49 residues pruned to eliminate duplicates Z: 71 36.721 2.224 0.735 0.397 0.800 0.400 CB 1.584 71 residues pruned to eliminate duplicates Z: 71 54.056 2.249 0.958 0.501 0.914 0.500 CB 1.603 84 residues pruned to eliminate duplicates Z: 38 50.962 2.453 1.041 0.507 0.919 0.486 CB 1.808 38 residues pruned to eliminate duplicates Z: 83 54.433 2.296 0.894 0.472 0.841 0.476 CB 1.691 83 residues pruned to eliminate duplicates Z: 68 53.567 2.375 0.975 0.446 0.881 0.418 CB 1.675 68 residues pruned to eliminate duplicates Z: 30 41.076 2.439 0.969 0.574 0.862 0.379 CB 1.716 30 residues pruned to eliminate duplicates Z: 59 46.869 2.251 0.929 0.489 0.862 0.517 CB 1.662 59 residues pruned to eliminate duplicates Z: 78 48.700 2.283 0.877 0.424 0.844 0.481 CB 1.659 78 residues pruned to eliminate duplicates Z: 78 58.248 2.363 0.951 0.461 0.896 0.532 CB 1.673 78 residues pruned to eliminate duplicates Z: 41 49.643 2.328 1.074 0.481 0.925 0.525 CB 1.792 41 residues pruned to eliminate duplicates Z: 40 48.345 2.416 0.988 0.539 0.897 0.462 CB 1.728 40 residues pruned to eliminate duplicates Z: 44 51.697 2.437 1.128 0.487 0.884 0.558 CB 1.743 44 residues pruned to eliminate duplicates Z: 39 54.778 2.478 1.143 0.541 0.895 0.526 CB 1.796 39 residues pruned to eliminate duplicates Z: 43 47.869 2.312 0.986 0.542 0.905 0.524 CB 1.706 43 residues pruned to eliminate duplicates Z: 91 53.139 2.217 0.837 0.476 0.900 0.478 CB 1.566 91 residues pruned to eliminate duplicates Z: 109 60.786 2.246 0.891 0.510 0.880 0.546 CB 1.550 109 residues pruned to eliminate duplicates Z: 89 55.424 2.269 0.862 0.512 0.864 0.557 CB 1.599 89 residues pruned to eliminate duplicates Z: 86 55.280 2.226 0.844 0.534 0.894 0.494 CB 1.580 86 residues pruned to eliminate duplicates Z: 37 45.886 2.406 1.076 0.515 0.889 0.500 CB 1.697 37 residues pruned to eliminate duplicates Z: 79 61.887 2.267 1.001 0.532 0.936 0.513 CB 1.600 79 residues pruned to eliminate duplicates Z: 59 56.513 2.360 1.010 0.508 0.931 0.552 CB 1.666 59 residues pruned to eliminate duplicates Z: 64 51.373 2.330 0.926 0.496 0.873 0.413 CB 1.659 64 residues pruned to eliminate duplicates Z: 62 54.513 2.307 1.061 0.484 0.918 0.508 CB 1.625 62 residues pruned to eliminate duplicates Z: 50 56.426 2.352 1.092 0.539 0.959 0.490 CB 1.644 50 residues pruned to eliminate duplicates Z: 68 57.617 2.281 1.023 0.504 0.925 0.552 CB 1.642 68 residues pruned to eliminate duplicates Z: 52 54.737 2.411 1.066 0.488 0.902 0.490 CB 1.726 52 residues pruned to eliminate duplicates Z: 72 53.322 2.311 0.959 0.478 0.901 0.394 CB 1.586 72 residues pruned to eliminate duplicates Z: 86 56.139 2.300 1.002 0.467 0.847 0.365 CB 1.614 86 residues pruned to eliminate duplicates Z: 88 61.988 2.297 1.025 0.502 0.885 0.529 CB 1.611 88 residues pruned to eliminate duplicates Z: 56 51.870 2.290 0.976 0.520 0.909 0.509 CB 1.667 56 residues pruned to eliminate duplicates Z: 20 21.991 1.905 0.812 0.524 0.947 0.632 CB 1.507 20 residues pruned to eliminate duplicates Z: 84 60.615 2.240 0.919 0.548 0.928 0.566 CB 1.592 84 residues pruned to eliminate duplicates Z: 56 55.275 2.305 1.018 0.526 0.927 0.509 CB 1.684 56 residues pruned to eliminate duplicates Z: 62 62.745 2.333 1.060 0.533 0.967 0.607 CB 1.673 62 residues pruned to eliminate duplicates Z: 42 34.394 2.134 0.753 0.578 0.927 0.683 CB 1.437 42 residues pruned to eliminate duplicates Z: 67 52.476 2.308 1.005 0.503 0.894 0.515 CB 1.556 67 residues pruned to eliminate duplicates Z: 97 57.898 2.253 0.883 0.493 0.896 0.542 CB 1.566 97 residues pruned to eliminate duplicates Z: 58 61.476 2.337 1.039 0.558 0.965 0.421 CB 1.674 58 residues pruned to eliminate duplicates Z: 58 58.810 2.351 1.054 0.550 0.912 0.509 CB 1.684 58 residues pruned to eliminate duplicates Z: 85 59.417 2.305 0.997 0.466 0.881 0.548 CB 1.655 93 residues pruned to eliminate duplicates Z: 42 41.775 2.289 0.849 0.461 0.951 0.463 CB 1.686 42 residues pruned to eliminate duplicates Z: 64 58.081 2.349 0.995 0.501 0.921 0.587 CB 1.695 64 residues pruned to eliminate duplicates Z: 42 37.359 2.112 0.803 0.549 0.976 0.634 CB 1.497 42 residues pruned to eliminate duplicates Z: 46 33.015 2.092 0.741 0.519 0.933 0.622 CB 1.421 46 residues pruned to eliminate duplicates Z: 69 50.321 2.212 0.936 0.500 0.897 0.588 CB 1.588 69 residues pruned to eliminate duplicates Z: 53 36.281 2.114 0.704 0.560 0.904 0.558 CB 1.458 53 residues pruned to eliminate duplicates Z: 85 63.584 2.261 0.890 0.562 0.952 0.512 CB 1.605 85 residues pruned to eliminate duplicates Z: 107 67.946 2.301 0.904 0.522 0.896 0.557 CB 1.644 107 residues pruned to eliminate duplicates Z: 25 26.465 2.170 0.585 0.601 0.958 0.667 CB 1.488 25 residues pruned to eliminate duplicates Z: 27 25.044 2.101 0.674 0.536 0.923 0.615 CB 1.461 27 residues pruned to eliminate duplicates Z: 92 65.357 2.256 1.007 0.514 0.901 0.516 CB 1.656 92 residues pruned to eliminate duplicates Z: 50 39.303 2.154 0.890 0.521 0.898 0.633 CB 1.504 50 residues pruned to eliminate duplicates Z: 25 24.991 2.118 0.766 0.550 0.917 0.583 CB 1.417 25 residues pruned to eliminate duplicates Z: 30 30.104 2.060 0.807 0.518 0.897 0.586 CA 1.645 30 residues pruned to eliminate duplicates Z: 141 68.295 2.268 0.818 0.490 0.893 0.571 CB 1.583 141 residues pruned to eliminate duplicates Z: 24 28.178 2.194 0.729 0.602 0.913 0.696 CB 1.540 24 residues pruned to eliminate duplicates Z: 25 24.789 2.135 0.597 0.593 0.917 0.708 CB 1.482 25 residues pruned to eliminate duplicates Z: 55 37.409 2.112 0.696 0.550 0.926 0.593 CB 1.462 55 residues pruned to eliminate duplicates Z: 124 63.727 2.238 0.904 0.487 0.862 0.577 CB 1.585 124 residues pruned to eliminate duplicates Z: 92 55.918 2.238 0.940 0.528 0.857 0.549 CB 1.532 92 residues pruned to eliminate duplicates Z: 24 28.590 2.167 0.765 0.648 0.913 0.609 CB 1.487 24 residues pruned to eliminate duplicates Z: 26 31.772 2.123 0.737 0.591 0.960 0.680 CB 1.646 26 residues pruned to eliminate duplicates Z: 25 24.282 2.156 0.637 0.625 0.833 0.708 CB 1.497 25 residues pruned to eliminate duplicates Z: 88 66.013 2.250 0.993 0.550 0.931 0.517 CB 1.615 88 residues pruned to eliminate duplicates Z: 39 39.794 2.200 0.859 0.561 0.921 0.658 CA 1.615 39 residues pruned to eliminate duplicates Z: 89 57.635 2.221 0.892 0.511 0.898 0.523 CB 1.611 89 residues pruned to eliminate duplicates Z: 108 64.465 2.294 0.846 0.508 0.907 0.533 CB 1.611 108 residues pruned to eliminate duplicates Z: 86 59.909 2.271 0.990 0.544 0.894 0.494 CB 1.540 86 residues pruned to eliminate duplicates Z: 29 25.906 2.183 0.752 0.568 0.821 0.536 CB 1.459 29 residues pruned to eliminate duplicates Z: 29 26.393 2.149 0.647 0.563 0.929 0.571 CB 1.428 29 residues pruned to eliminate duplicates Z: 124 65.666 2.227 0.900 0.501 0.878 0.496 CB 1.592 124 residues pruned to eliminate duplicates Z: 111 65.455 2.241 0.877 0.514 0.927 0.509 CB 1.578 111 residues pruned to eliminate duplicates Z: 68 43.924 2.135 0.784 0.542 0.910 0.493 CB 1.485 68 residues pruned to eliminate duplicates Z: 105 58.097 2.226 0.902 0.480 0.875 0.462 CB 1.569 105 residues pruned to eliminate duplicates Z: 20 14.928 2.113 0.579 0.385 0.789 0.421 CB 1.469 20 residues pruned to eliminate duplicates Z: 20 14.296 1.998 0.615 0.380 0.842 0.474 CB 1.373 20 residues pruned to eliminate duplicates Z: 19 23.915 2.108 0.850 0.523 0.889 0.333 CB 1.590 19 residues pruned to eliminate duplicates Z: 62 39.776 2.120 0.789 0.541 0.885 0.607 CB 1.457 62 residues pruned to eliminate duplicates Z: 102 65.168 2.244 0.874 0.577 0.921 0.564 CB 1.555 102 residues pruned to eliminate duplicates Z: 48 24.543 2.204 0.611 0.333 0.809 0.362 CB 1.497 90 residues pruned to eliminate duplicates Z: 6 7.840 2.215 0.328 0.406 0.800 0.400 CB 1.645 6 residues pruned to eliminate duplicates Z: 12 10.764 2.128 0.760 0.320 0.727 0.455 CB 1.453 12 residues pruned to eliminate duplicates Z: 16 18.119 2.104 0.598 0.407 1.000 0.600 CB 1.534 16 residues pruned to eliminate duplicates Z: 13 15.097 2.220 0.744 0.306 0.917 0.750 CB 1.523 13 residues pruned to eliminate duplicates Z: 55 34.297 2.081 0.719 0.519 0.907 0.593 CB 1.411 55 residues pruned to eliminate duplicates Z: 10 14.627 2.233 0.691 0.280 1.000 0.556 CB 1.655 10 residues pruned to eliminate duplicates Z: 15 15.298 2.088 0.857 0.326 0.929 0.429 CB 1.374 15 residues pruned to eliminate duplicates Z: 13 17.376 2.154 0.756 0.394 1.000 0.583 CB 1.483 13 residues pruned to eliminate duplicates Z: 23 22.681 2.171 0.755 0.424 0.909 0.591 CB 1.511 23 residues pruned to eliminate duplicates Z: 24 22.683 2.231 0.632 0.422 0.913 0.435 CB 1.544 24 residues pruned to eliminate duplicates Z: 22 17.518 2.234 0.567 0.395 0.857 0.571 CB 1.423 22 residues pruned to eliminate duplicates Z: 23 21.681 2.175 0.740 0.381 0.955 0.409 CA 1.452 23 residues pruned to eliminate duplicates Z: 35 27.790 2.233 0.614 0.423 0.941 0.500 CB 1.523 35 residues pruned to eliminate duplicates Z: 30 20.864 2.154 0.737 0.371 0.862 0.414 CB 1.380 30 residues pruned to eliminate duplicates Z: 16 20.627 2.244 0.726 0.504 0.933 0.467 CB 1.467 16 residues pruned to eliminate duplicates Z: 29 24.767 2.239 0.691 0.454 0.786 0.536 CB 1.649 35 residues pruned to eliminate duplicates Z: 6 3.017 1.601 1.452 0.454 0.800 0.600 CA 0.450 6 residues pruned to eliminate duplicates Z: 28 24.893 2.255 0.696 0.478 0.778 0.444 CB 1.647 28 residues pruned to eliminate duplicates Z: 31 22.658 2.162 0.677 0.449 0.767 0.367 CB 1.568 31 residues pruned to eliminate duplicates Z: 19 27.934 2.381 0.858 0.527 0.833 0.333 CB 1.740 21 residues pruned to eliminate duplicates Z: 6 3.800 1.851 0.390 0.452 0.600 0.400 N 1.156 6 residues pruned to eliminate duplicates Z: 43 30.060 2.166 0.860 0.432 0.786 0.476 CB 1.572 43 residues pruned to eliminate duplicates Z: 37 29.857 2.228 0.689 0.419 0.944 0.500 CB 1.524 36 residues pruned to eliminate duplicates Z: 8 13.556 2.299 0.197 0.745 0.857 0.714 CB 1.745 8 residues pruned to eliminate duplicates Z: 10 13.610 2.251 0.221 0.654 0.889 0.778 CB 1.609 10 residues pruned to eliminate duplicates Z: 11 20.234 2.260 0.520 0.616 1.000 0.600 CB 1.670 11 residues pruned to eliminate duplicates Z: 18 15.924 2.212 0.327 0.417 0.882 0.471 CB 1.627 18 residues pruned to eliminate duplicates Z: 11 21.350 2.286 0.669 0.602 0.900 0.700 CA 1.784 11 residues pruned to eliminate duplicates Z: 15 18.835 1.905 0.946 0.617 0.929 0.571 CB 1.309 15 residues pruned to eliminate duplicates Z: 20 19.132 2.188 0.725 0.505 0.842 0.632 CB 1.375 20 residues pruned to eliminate duplicates Z: 12 28.485 2.190 0.949 0.756 1.000 0.727 CB 1.603 11 residues pruned to eliminate duplicates Z: 6 6.363 1.648 0.947 0.370 0.800 0.600 CA 1.275 6 residues pruned to eliminate duplicates Z: 6 6.475 2.114 0.654 0.314 1.000 0.800 CB 1.018 6 residues pruned to eliminate duplicates Z: 37 31.367 2.214 0.869 0.527 0.861 0.611 CB 1.428 37 residues pruned to eliminate duplicates Z: 30 20.621 1.925 0.972 0.437 0.828 0.552 CB 1.301 30 residues pruned to eliminate duplicates Z: 21 23.044 2.173 1.061 0.413 0.900 0.450 CB 1.400 21 residues pruned to eliminate duplicates Z: 38 32.745 2.286 0.866 0.462 0.892 0.649 CB 1.472 38 residues pruned to eliminate duplicates Z: 20 16.107 2.079 0.755 0.429 0.789 0.526 CB 1.381 20 residues pruned to eliminate duplicates Z: 18 16.701 2.089 0.886 0.447 0.765 0.588 CB 1.419 18 residues pruned to eliminate duplicates Z: 58 55.698 2.378 0.960 0.538 0.930 0.491 CB 1.640 59 residues pruned to eliminate duplicates Z: 6 7.021 2.095 0.850 0.368 0.800 0.800 CA 1.167 6 residues pruned to eliminate duplicates Z: 37 31.304 2.201 0.946 0.441 0.861 0.556 CB 1.503 37 residues pruned to eliminate duplicates Z: 17 18.376 2.190 0.856 0.481 0.875 0.500 CB 1.317 17 residues pruned to eliminate duplicates Z: 40 27.821 2.124 0.781 0.494 0.821 0.538 CB 1.443 39 residues pruned to eliminate duplicates Z: 6 5.550 1.727 0.934 0.358 0.600 0.000 CA 1.443 Z: 6 5.634 1.688 0.930 0.315 1.000 0.600 CA 0.949 Z: 6 5.533 1.696 1.089 0.149 0.800 0.200 O 1.345 6 residues pruned to eliminate duplicates Z: 31 32.472 2.149 0.895 0.517 0.900 0.533 CB 1.592 31 residues pruned to eliminate duplicates Z: 25 27.353 2.270 0.816 0.487 0.875 0.583 CB 1.568 25 residues pruned to eliminate duplicates Z: 26 29.718 2.312 1.021 0.444 0.880 0.600 CB 1.531 26 residues pruned to eliminate duplicates Z: 23 28.375 2.351 0.945 0.448 0.909 0.591 CB 1.536 23 residues pruned to eliminate duplicates Z: 29 25.118 2.206 0.902 0.412 0.857 0.500 CB 1.447 29 residues pruned to eliminate duplicates Z: 26 23.505 2.195 0.882 0.412 0.880 0.560 CB 1.417 26 residues pruned to eliminate duplicates Z: 38 33.523 2.266 1.091 0.428 0.838 0.568 CB 1.496 38 residues pruned to eliminate duplicates Z: 41 28.807 2.181 0.963 0.393 0.825 0.450 CB 1.443 41 residues pruned to eliminate duplicates Z: 39 32.316 2.265 0.987 0.405 0.842 0.526 CB 1.529 52 residues pruned to eliminate duplicates Z: 6 6.314 1.597 0.986 0.483 0.800 0.800 CA 1.132 6 residues pruned to eliminate duplicates Z: 98 68.550 2.349 1.011 0.472 0.907 0.588 CB 1.670 98 residues pruned to eliminate duplicates Z: 41 28.207 2.156 0.920 0.411 0.825 0.525 CB 1.433 48 residues pruned to eliminate duplicates Z: 24 24.977 2.323 0.805 0.420 0.826 0.522 CB 1.635 24 residues pruned to eliminate duplicates Z: 29 26.965 2.217 0.982 0.433 0.857 0.536 CB 1.451 29 residues pruned to eliminate duplicates Z: 136 66.647 2.282 0.850 0.471 0.867 0.504 CB 1.615 147 residues pruned to eliminate duplicates Z: 17 44.866 2.576 1.087 0.742 0.875 0.375 CB 1.919 17 residues pruned to eliminate duplicates Z: 37 63.008 2.524 1.043 0.580 1.000 0.639 CB 1.885 37 residues pruned to eliminate duplicates Z: 71 51.608 2.378 0.937 0.488 0.857 0.571 CB 1.582 71 residues pruned to eliminate duplicates Z: 109 69.877 2.309 0.924 0.499 0.898 0.565 CB 1.688 109 residues pruned to eliminate duplicates Z: 38 60.219 2.547 1.162 0.574 0.919 0.649 CB 1.822 38 residues pruned to eliminate duplicates Z: 37 61.307 2.528 1.104 0.585 0.944 0.694 CB 1.875 37 residues pruned to eliminate duplicates Z: 47 49.173 2.401 0.990 0.500 0.891 0.543 CB 1.703 47 residues pruned to eliminate duplicates Z: 65 62.878 2.387 0.982 0.560 0.891 0.594 CB 1.759 65 residues pruned to eliminate duplicates Z: 59 58.777 2.408 1.001 0.568 0.862 0.517 CB 1.739 59 residues pruned to eliminate duplicates Z: 80 52.842 2.371 0.939 0.468 0.835 0.532 CB 1.599 80 residues pruned to eliminate duplicates Z: 20 42.954 2.400 0.986 0.704 0.895 0.474 CA 1.919 20 residues pruned to eliminate duplicates Z: 66 59.079 2.380 0.906 0.520 0.908 0.538 CB 1.746 66 residues pruned to eliminate duplicates Z: 78 62.562 2.430 0.997 0.476 0.883 0.494 CB 1.705 78 residues pruned to eliminate duplicates Z: 111 71.868 2.316 0.920 0.498 0.891 0.545 CB 1.734 111 residues pruned to eliminate duplicates Z: 56 53.616 2.418 0.956 0.517 0.909 0.564 CB 1.653 56 residues pruned to eliminate duplicates Z: 57 46.804 2.416 0.935 0.420 0.857 0.518 CB 1.697 57 residues pruned to eliminate duplicates Z: 87 70.956 2.304 0.944 0.548 0.919 0.523 CB 1.774 87 residues pruned to eliminate duplicates Z: 84 64.803 2.331 0.838 0.523 0.904 0.506 CB 1.796 84 residues pruned to eliminate duplicates Z: 109 72.698 2.343 1.007 0.498 0.880 0.583 CB 1.695 109 residues pruned to eliminate duplicates Z: 138 66.960 2.260 0.844 0.457 0.891 0.496 CB 1.611 138 residues pruned to eliminate duplicates Z: 77 62.263 2.429 0.964 0.486 0.868 0.513 CB 1.749 77 residues pruned to eliminate duplicates Z: 103 67.786 2.316 0.853 0.531 0.902 0.529 CB 1.682 103 residues pruned to eliminate duplicates Z: 39 54.414 2.529 1.011 0.560 0.895 0.553 CB 1.829 39 residues pruned to eliminate duplicates Z: 81 65.077 2.380 0.891 0.498 0.925 0.525 CB 1.750 81 residues pruned to eliminate duplicates Z: 41 53.041 2.430 1.032 0.538 0.925 0.650 CB 1.769 41 residues pruned to eliminate duplicates Z: 58 58.084 2.344 0.985 0.547 0.877 0.544 CB 1.801 58 residues pruned to eliminate duplicates Z: 123 63.834 2.240 0.871 0.485 0.861 0.566 CB 1.627 123 residues pruned to eliminate duplicates Z: 92 64.703 2.274 1.020 0.498 0.890 0.582 CB 1.662 92 residues pruned to eliminate duplicates Z: 24 33.935 2.326 0.970 0.405 0.957 0.609 CB 1.784 24 residues pruned to eliminate duplicates Z: 38 58.068 2.478 1.068 0.538 0.973 0.432 CA 1.844 38 residues pruned to eliminate duplicates Z: 23 25.082 2.293 0.933 0.364 0.955 0.500 CB 1.464 23 residues pruned to eliminate duplicates Z: 42 39.818 2.285 0.895 0.480 0.854 0.488 CB 1.716 42 residues pruned to eliminate duplicates Z: 105 71.267 2.325 0.921 0.527 0.904 0.529 CB 1.685 105 residues pruned to eliminate duplicates Z: 12 33.794 2.354 1.483 0.711 0.909 0.545 CA 1.583 12 residues pruned to eliminate duplicates Z: 58 65.976 2.388 1.182 0.543 0.912 0.526 CB 1.763 58 residues pruned to eliminate duplicates Z: 58 62.426 2.396 0.927 0.531 0.965 0.544 CB 1.801 58 residues pruned to eliminate duplicates Z: 62 67.328 2.365 1.075 0.543 0.951 0.525 CB 1.772 62 residues pruned to eliminate duplicates Z: 57 68.112 2.441 1.084 0.561 0.946 0.536 CB 1.782 57 residues pruned to eliminate duplicates Z: 89 56.220 2.262 0.828 0.480 0.898 0.557 CB 1.648 89 residues pruned to eliminate duplicates Z: 13 28.255 2.309 1.144 0.675 0.917 0.250 CA 1.530 13 residues pruned to eliminate duplicates Z: 84 66.490 2.374 1.050 0.481 0.904 0.494 CB 1.691 84 residues pruned to eliminate duplicates Z: 86 62.485 2.373 1.001 0.509 0.859 0.624 CB 1.647 86 residues pruned to eliminate duplicates Z: 33 46.991 2.372 1.128 0.457 0.938 0.562 CB 1.834 33 residues pruned to eliminate duplicates Z: 62 54.320 2.289 1.088 0.476 0.852 0.508 CB 1.749 62 residues pruned to eliminate duplicates Z: 24 32.484 2.277 0.892 0.531 0.870 0.478 CB 1.753 24 residues pruned to eliminate duplicates Z: 82 60.891 2.353 0.928 0.495 0.901 0.568 CB 1.663 82 residues pruned to eliminate duplicates Z: 85 62.538 2.380 0.959 0.478 0.917 0.476 CB 1.633 85 residues pruned to eliminate duplicates Z: 44 42.897 2.274 0.910 0.469 0.884 0.512 CB 1.758 44 residues pruned to eliminate duplicates Z: 41 49.440 2.382 1.086 0.519 0.900 0.550 CB 1.715 41 residues pruned to eliminate duplicates Z: 109 76.620 2.314 1.018 0.513 0.917 0.574 CB 1.700 109 residues pruned to eliminate duplicates Z: 42 55.706 2.338 1.184 0.507 0.951 0.585 CB 1.778 42 residues pruned to eliminate duplicates Z: 114 70.891 2.310 0.952 0.496 0.903 0.558 CB 1.646 114 residues pruned to eliminate duplicates Z: 65 61.333 2.391 0.978 0.510 0.953 0.578 CB 1.684 65 residues pruned to eliminate duplicates Z: 133 74.258 2.319 0.918 0.486 0.894 0.576 CB 1.649 133 residues pruned to eliminate duplicates Z: 59 68.364 2.426 1.039 0.562 0.983 0.552 CB 1.740 59 residues pruned to eliminate duplicates Z: 57 78.541 2.446 1.185 0.566 0.982 0.482 CB 1.875 57 residues pruned to eliminate duplicates Z: 73 46.787 2.195 0.830 0.450 0.875 0.556 CB 1.651 73 residues pruned to eliminate duplicates Z: 106 73.550 2.299 0.974 0.514 0.905 0.533 CB 1.724 106 residues pruned to eliminate duplicates Z: 113 67.575 2.276 0.948 0.490 0.884 0.509 CB 1.646 113 residues pruned to eliminate duplicates Z: 80 72.323 2.336 1.046 0.530 0.937 0.544 CB 1.765 80 residues pruned to eliminate duplicates Z: 22 35.656 2.222 0.952 0.664 0.952 0.667 CA 1.619 22 residues pruned to eliminate duplicates Z: 42 35.147 2.220 0.763 0.525 0.854 0.512 CB 1.602 42 residues pruned to eliminate duplicates Z: 43 32.568 2.187 0.766 0.491 0.857 0.452 CB 1.533 43 residues pruned to eliminate duplicates Z: 26 28.409 2.112 0.832 0.574 0.920 0.680 CB 1.487 26 residues pruned to eliminate duplicates Z: 29 27.624 2.016 0.695 0.569 0.929 0.679 CB 1.540 29 residues pruned to eliminate duplicates Z: 24 32.163 2.131 0.904 0.600 0.957 0.609 CA 1.570 24 residues pruned to eliminate duplicates Z: 23 32.897 2.163 0.817 0.672 1.000 0.636 CA 1.522 23 residues pruned to eliminate duplicates Z: 30 26.259 2.061 0.602 0.545 0.897 0.586 CA 1.575 30 residues pruned to eliminate duplicates Z: 23 29.930 2.141 0.856 0.633 0.909 0.727 CA 1.559 23 residues pruned to eliminate duplicates Z: 27 31.862 2.200 0.780 0.602 0.885 0.577 CB 1.638 27 residues pruned to eliminate duplicates Z: 21 33.087 2.258 0.805 0.679 0.950 0.750 CA 1.621 21 residues pruned to eliminate duplicates Z: 23 32.742 2.126 0.808 0.651 1.000 0.636 CA 1.578 23 residues pruned to eliminate duplicates Z: 28 33.153 2.224 0.716 0.580 0.926 0.519 CB 1.671 28 residues pruned to eliminate duplicates Z: 23 35.987 2.137 0.931 0.636 1.000 0.636 CA 1.637 23 residues pruned to eliminate duplicates Z: 23 32.434 2.205 0.854 0.642 0.955 0.636 CA 1.552 23 residues pruned to eliminate duplicates Z: 28 27.981 2.194 0.667 0.554 0.852 0.519 CB 1.640 28 residues pruned to eliminate duplicates Z: 41 33.957 2.143 0.618 0.589 0.900 0.525 CB 1.579 41 residues pruned to eliminate duplicates Z: 60 41.835 2.152 0.763 0.539 0.915 0.610 CB 1.508 48 residues pruned to eliminate duplicates Z: 6 4.162 1.503 0.170 0.448 1.000 0.600 O 1.117 6 residues pruned to eliminate duplicates Z: 18 18.988 2.129 0.644 0.518 0.882 0.412 CB 1.464 18 residues pruned to eliminate duplicates Z: 18 19.418 2.101 0.614 0.523 0.882 0.529 CB 1.537 18 residues pruned to eliminate duplicates Z: 17 19.660 2.171 0.764 0.499 0.812 0.562 CB 1.581 17 residues pruned to eliminate duplicates Z: 32 21.234 2.126 0.608 0.387 0.839 0.452 CB 1.499 32 residues pruned to eliminate duplicates Z: 28 21.374 2.164 0.615 0.395 0.926 0.481 CB 1.421 28 residues pruned to eliminate duplicates Z: 21 19.837 2.230 0.536 0.486 0.800 0.450 CB 1.642 21 residues pruned to eliminate duplicates Z: 78 51.683 2.250 0.803 0.549 0.896 0.597 CB 1.545 78 residues pruned to eliminate duplicates Z: 20 14.849 2.012 0.436 0.458 0.842 0.421 CB 1.463 20 residues pruned to eliminate duplicates Z: 17 16.940 2.155 0.440 0.525 0.875 0.438 CB 1.521 17 residues pruned to eliminate duplicates Z: 21 13.090 2.064 0.641 0.338 0.650 0.350 CB 1.586 21 residues pruned to eliminate duplicates Z: 47 38.354 2.232 0.667 0.558 0.891 0.565 CB 1.612 47 residues pruned to eliminate duplicates Z: 16 20.743 2.187 0.705 0.551 0.867 0.467 CB 1.577 16 residues pruned to eliminate duplicates Z: 62 38.438 2.188 0.691 0.542 0.836 0.607 CB 1.527 62 residues pruned to eliminate duplicates Z: 28 22.996 2.140 0.585 0.467 0.889 0.556 CB 1.519 28 residues pruned to eliminate duplicates Z: 28 16.525 2.138 0.515 0.429 0.815 0.481 CB 1.297 28 residues pruned to eliminate duplicates Z: 25 19.481 2.163 0.442 0.457 0.833 0.417 CB 1.599 25 residues pruned to eliminate duplicates Z: 14 12.673 2.133 0.608 0.312 0.923 0.692 CB 1.367 14 residues pruned to eliminate duplicates Z: 12 15.121 2.074 0.861 0.372 0.909 0.727 CB 1.490 12 residues pruned to eliminate duplicates Z: 11 13.394 2.157 0.863 0.381 0.800 0.700 CB 1.495 11 residues pruned to eliminate duplicates Z: 30 18.835 2.118 0.495 0.438 0.828 0.483 CB 1.423 30 residues pruned to eliminate duplicates Z: 10 12.751 1.980 0.791 0.420 0.889 0.667 CB 1.465 10 residues pruned to eliminate duplicates Z: 22 21.020 2.138 0.813 0.428 0.952 0.667 CB 1.339 22 residues pruned to eliminate duplicates Z: 6 5.346 1.582 0.394 0.464 1.000 0.400 N 1.125 6 residues pruned to eliminate duplicates Z: 14 9.821 1.986 0.844 0.393 0.846 0.462 CB 0.984 13 residues pruned to eliminate duplicates Z: 6 5.351 1.715 0.458 0.529 0.800 0.600 CA 1.163 6 residues pruned to eliminate duplicates Z: 15 10.481 1.911 0.768 0.442 0.857 0.500 CB 1.027 15 residues pruned to eliminate duplicates Z: 6 2.997 1.266 0.817 0.303 0.800 0.600 CB 0.907 6 residues pruned to eliminate duplicates Z: 6 4.602 1.821 0.775 0.468 0.800 0.400 CB 0.823 Z: 6 3.805 1.666 0.347 0.359 0.800 0.200 CA 1.104 Z: 12 30.454 2.387 0.661 0.763 1.000 0.636 CB 1.833 5 residues pruned to eliminate duplicates Z: 13 32.351 2.215 1.000 0.738 1.000 0.417 CB 1.703 13 residues pruned to eliminate duplicates Z: 12 23.342 2.012 1.030 0.842 1.000 0.636 CB 1.284 12 residues pruned to eliminate duplicates Z: 17 23.016 2.228 0.953 0.538 0.875 0.625 CB 1.456 17 residues pruned to eliminate duplicates Z: 11 33.035 2.114 1.083 0.884 1.000 0.900 CB 1.713 12 residues pruned to eliminate duplicates Z: 11 32.351 2.193 1.167 0.893 1.000 0.900 CB 1.545 11 residues pruned to eliminate duplicates Z: 12 28.033 2.046 1.133 0.852 1.000 0.636 CB 1.433 12 residues pruned to eliminate duplicates Z: 17 17.946 2.082 0.724 0.488 0.875 0.500 CB 1.446 17 residues pruned to eliminate duplicates Z: 30 30.383 2.152 0.775 0.627 0.897 0.517 CB 1.462 28 residues pruned to eliminate duplicates Z: 12 24.728 1.997 1.049 0.842 1.000 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 68 27.112 2.089 0.658 0.389 0.836 0.507 CB 1.288 69 residues pruned to eliminate duplicates Z: 12 23.176 2.173 1.094 0.804 0.909 0.636 CB 1.295 12 residues pruned to eliminate duplicates Z: 38 38.774 2.316 0.975 0.538 0.838 0.459 CB 1.602 44 residues pruned to eliminate duplicates Z: 13 37.696 2.378 1.184 0.840 0.917 0.833 CA 1.706 13 residues pruned to eliminate duplicates Z: 29 37.378 2.410 0.697 0.567 0.964 0.679 CB 1.679 23 residues pruned to eliminate duplicates Z: 11 44.258 2.510 1.228 0.913 1.000 0.600 CA 1.771 11 residues pruned to eliminate duplicates Z: 44 34.361 2.284 0.792 0.460 0.860 0.488 CB 1.551 44 residues pruned to eliminate duplicates Z: 23 22.078 2.029 0.908 0.499 0.818 0.364 CB 1.487 23 residues pruned to eliminate duplicates Z: 26 43.031 2.352 1.055 0.680 0.920 0.560 CB 1.640 26 residues pruned to eliminate duplicates Z: 44 42.555 2.304 0.856 0.489 0.884 0.558 CB 1.737 44 residues pruned to eliminate duplicates Z: 12 45.421 2.378 1.305 0.907 1.000 0.636 CA 1.776 12 residues pruned to eliminate duplicates Z: 64 35.620 2.191 0.757 0.473 0.873 0.397 CB 1.372 64 residues pruned to eliminate duplicates Z: 24 30.322 2.191 0.990 0.591 0.870 0.478 CB 1.528 24 residues pruned to eliminate duplicates Z: 31 32.133 2.298 0.995 0.533 0.833 0.433 CB 1.486 31 residues pruned to eliminate duplicates Z: 30 36.869 2.354 0.941 0.569 0.966 0.517 CB 1.452 30 residues pruned to eliminate duplicates Z: 32 30.554 2.307 0.777 0.544 0.839 0.548 CB 1.529 32 residues pruned to eliminate duplicates Z: 42 38.221 2.270 0.817 0.493 0.902 0.366 CB 1.615 42 residues pruned to eliminate duplicates Z: 44 42.544 2.278 0.916 0.481 0.884 0.488 CB 1.714 44 residues pruned to eliminate duplicates Z: 28 16.615 1.982 0.468 0.357 0.926 0.556 CB 1.385 26 residues pruned to eliminate duplicates Z: 6 8.361 2.166 0.757 0.400 0.800 0.600 CB 1.365 6 residues pruned to eliminate duplicates Z: 22 20.188 2.143 0.661 0.437 0.905 0.476 CB 1.461 24 residues pruned to eliminate duplicates Z: 6 6.519 2.133 0.474 0.199 0.800 0.600 N 1.658 6 residues pruned to eliminate duplicates Z: 29 34.582 2.351 0.939 0.563 0.857 0.500 CB 1.573 29 residues pruned to eliminate duplicates Z: 28 34.917 2.320 0.910 0.455 0.926 0.556 CB 1.715 28 residues pruned to eliminate duplicates Z: 30 35.982 2.362 1.006 0.518 0.862 0.655 CB 1.606 30 residues pruned to eliminate duplicates Z: 29 39.342 2.375 1.006 0.576 0.929 0.464 CB 1.561 29 residues pruned to eliminate duplicates Z: 30 37.076 2.348 1.018 0.554 0.897 0.586 CB 1.538 30 residues pruned to eliminate duplicates Z: 6 7.126 1.822 0.533 0.318 1.000 0.600 N 1.394 6 residues pruned to eliminate duplicates Z: 20 18.265 2.203 0.506 0.323 0.947 0.474 CA 1.620 20 residues pruned to eliminate duplicates Z: 21 18.869 2.204 0.579 0.373 0.950 0.400 CB 1.462 21 residues pruned to eliminate duplicates Z: 7 5.785 1.359 1.012 0.536 1.000 0.333 N 0.834 7 residues pruned to eliminate duplicates 737 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 8 D: 335 E: 6 F: 158 G: 16 H: 202 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 37.24 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.762, Connect. = 0.733 for dens.mod. cycle 1 = 0.301, Contrast = 0.886, Connect. = 0.764 for dens.mod. cycle 2 = 0.301, Contrast = 1.068, Connect. = 0.795 for dens.mod. cycle 3 = 0.301, Contrast = 1.097, Connect. = 0.797 for dens.mod. cycle 4 = 0.301, Contrast = 1.124, Connect. = 0.800 for dens.mod. cycle 5 = 0.301, Contrast = 1.132, Connect. = 0.801 for dens.mod. cycle 6 = 0.301, Contrast = 1.142, Connect. = 0.803 for dens.mod. cycle 7 = 0.301, Contrast = 1.144, Connect. = 0.804 for dens.mod. cycle 8 = 0.301, Contrast = 1.147, Connect. = 0.804 for dens.mod. cycle 9 = 0.301, Contrast = 1.146, Connect. = 0.805 for dens.mod. cycle 10 TimeTaking 357.58