++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:51:25 on 15 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: ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.ins Phases from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phi Native data from ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.hkl Listing output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.lst Phases output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phs Poly-Ala trace output to ./1vl6-2.8-parrot-noncs/1vl6-2.8-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 65 Allowed origin shift code: 8 47205 Reflections read from file ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.phi 47205 Reflections read from file ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.hkl 47205 Unique data, highest resolution = 2.800 Angstroms Anisotropic scaling: intensities multiplied by 0.000117h^2 +0.000117k^2 -0.000105l^2 +0.000000kl +0.000000hl +0.000117hk 34 Reflections with d > 3.000 and 0 in range 3.000 > d > 2.800 added Density sharpening factor set to 0.00 Fourier grid = 256 x 256 x 30 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.759 = 0.300, Contrast = 0.511, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.633, Connect. = 0.734 for dens.mod. cycle 2 = 0.300, Contrast = 0.743, Connect. = 0.755 for dens.mod. cycle 3 = 0.300, Contrast = 0.770, Connect. = 0.764 for dens.mod. cycle 4 = 0.300, Contrast = 0.780, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.786, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.790, Connect. = 0.776 for dens.mod. cycle 7 = 0.300, Contrast = 0.792, Connect. = 0.777 for dens.mod. cycle 8 = 0.300, Contrast = 0.793, Connect. = 0.778 for dens.mod. cycle 9 = 0.300, Contrast = 0.793, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3478 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1082 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 15.053 1.932 1.274 0.611 0.833 0.667 O 1.511 B: 23 28.192 1.902 0.820 0.871 0.909 0.818 CB 1.394 C: 9 12.946 1.817 0.793 0.737 0.875 0.625 O 1.298 D: 9 9.642 1.876 0.922 0.529 0.875 0.500 CB 1.050 8 residues pruned to eliminate duplicates E: 12 11.171 1.815 0.782 0.551 0.818 0.636 CB 1.212 F: 15 10.513 1.837 0.353 0.457 0.857 0.429 CB 1.378 G: 23 34.361 1.947 0.953 0.905 0.955 0.818 CB 1.436 23 residues pruned to eliminate duplicates H: 7 5.086 1.702 0.293 0.652 1.000 0.833 CB 0.819 I: 16 10.382 1.687 0.527 0.660 0.733 0.533 CB 1.224 J: 25 13.002 1.694 0.826 0.437 0.875 0.375 CB 1.047 16 residues pruned to eliminate duplicates K: 16 22.392 1.763 1.137 0.909 0.933 0.667 CB 1.167 L: 11 6.891 1.863 0.127 0.346 0.800 0.600 CB 1.533 M: 16 21.432 1.790 0.845 0.825 0.933 0.733 CB 1.354 16 residues pruned to eliminate duplicates N: 8 2.712 1.759 0.521 0.117 0.571 0.429 CB 1.088 O: 23 10.258 1.758 0.570 0.302 0.818 0.455 CB 1.208 P: 10 12.634 1.731 0.854 0.688 0.889 0.556 CB 1.243 Q: 10 7.299 1.683 0.703 0.890 1.000 0.889 CB 0.611 R: 7 2.591 1.737 0.131 0.336 0.500 0.333 N 1.289 S: 11 6.698 1.709 0.265 0.498 0.800 0.500 O 1.228 9 residues pruned to eliminate duplicates T: 19 11.567 1.693 0.512 0.360 0.889 0.667 CB 1.394 U: 16 33.562 1.890 1.212 0.923 1.000 0.800 CB 1.457 V: 9 14.666 1.826 0.502 0.825 1.000 0.875 CB 1.426 W: 9 9.573 1.645 0.695 0.459 0.875 0.625 O 1.446 X: 14 25.454 1.903 1.159 0.838 1.000 0.692 CB 1.284 14 residues pruned to eliminate duplicates Y: 6 3.541 1.237 1.156 0.342 1.000 0.400 CB 0.705 Z: 14 22.375 1.854 0.777 0.917 1.000 0.846 CB 1.330 Z: 13 18.690 1.807 0.754 0.889 1.000 0.917 CB 1.226 Z: 19 9.996 1.635 0.429 0.373 0.944 0.611 CB 1.223 19 residues pruned to eliminate duplicates Z: 7 3.054 1.666 0.071 0.351 0.667 0.500 CB 1.232 Z: 20 38.176 1.965 1.106 0.917 1.000 0.842 CB 1.493 19 residues pruned to eliminate duplicates Z: 16 12.996 1.875 0.905 0.427 0.800 0.667 CB 1.266 Z: 13 9.698 1.755 1.001 0.482 0.750 0.417 CB 1.082 8 residues pruned to eliminate duplicates Z: 6 5.236 1.778 0.172 0.722 1.000 0.800 CB 0.920 Z: 17 21.994 1.744 0.850 0.848 0.938 0.562 CB 1.348 17 residues pruned to eliminate duplicates Z: 13 17.432 1.825 0.761 0.855 1.000 0.833 CB 1.156 13 residues pruned to eliminate duplicates 6 1.639 1.770 -0.097 0.106 0.800 0.800 CB 0.947 ? Z: 13 8.278 1.598 0.590 0.722 0.750 0.417 CB 1.027 Z: 6 2.632 1.409 0.550 0.298 0.600 0.400 N 1.126 Z: 8 12.142 1.775 1.060 0.805 0.714 0.286 CB 1.346 8 residues pruned to eliminate duplicates Z: 13 18.338 1.824 1.108 0.610 0.833 0.667 CB 1.489 12 residues pruned to eliminate duplicates Z: 14 12.584 1.856 0.949 0.360 0.846 0.538 CB 1.327 16 residues pruned to eliminate duplicates Z: 12 18.971 1.888 0.784 0.929 1.000 0.636 CB 1.188 12 residues pruned to eliminate duplicates Z: 11 7.239 1.565 0.142 0.568 0.900 0.400 CB 1.332 Z: 7 11.981 1.792 0.896 0.582 0.833 0.833 N 1.596 7 residues pruned to eliminate duplicates Z: 6 6.826 1.743 0.760 0.811 0.800 0.600 CB 0.949 Z: 8 3.177 1.471 0.523 0.214 0.714 0.286 O 1.051 Z: 9 23.458 1.987 1.198 0.908 1.000 1.000 CB 1.349 9 residues pruned to eliminate duplicates Z: 14 21.347 1.708 0.985 0.915 1.000 0.769 CB 1.234 Z: 6 7.853 1.832 0.332 0.820 0.800 0.800 CB 1.363 Z: 25 31.214 1.846 1.171 0.865 0.917 0.417 CB 1.271 25 residues pruned to eliminate duplicates Z: 14 26.582 1.858 0.969 0.866 1.000 0.692 CB 1.476 13 residues pruned to eliminate duplicates Z: 8 5.009 1.603 0.519 0.863 0.857 0.857 CB 0.666 8 residues pruned to eliminate duplicates Z: 16 10.638 1.732 0.659 0.848 0.867 0.733 CB 0.818 Z: 11 8.729 1.501 0.613 0.897 1.000 0.900 CB 0.816 Z: 16 7.664 1.646 0.566 0.469 0.733 0.400 CB 1.080 16 residues pruned to eliminate duplicates Z: 8 8.610 1.616 0.736 0.817 0.714 0.714 N 1.232 Z: 17 16.890 1.860 0.624 0.859 1.000 0.688 CB 1.029 16 residues pruned to eliminate duplicates Z: 14 13.597 1.776 0.369 0.840 0.923 0.692 CB 1.254 Z: 12 14.391 1.746 0.714 0.631 0.909 0.455 N 1.411 12 residues pruned to eliminate duplicates Z: 13 10.641 1.520 0.809 0.652 0.833 0.417 CB 1.164 9 residues pruned to eliminate duplicates Z: 8 4.906 1.557 0.475 0.785 0.714 0.571 CB 0.880 Z: 7 2.731 1.524 0.525 0.230 0.833 0.333 CB 0.789 Z: 15 15.796 1.748 0.601 0.819 1.000 0.786 CB 1.144 6 residues pruned to eliminate duplicates Z: 13 14.280 1.558 1.080 0.709 0.833 0.417 CB 1.262 Z: 9 5.857 1.611 0.642 0.662 0.625 0.375 CB 1.078 Z: 9 5.906 1.506 0.560 0.446 0.875 0.375 N 1.074 Z: 12 5.350 1.592 0.390 0.226 0.818 0.455 N 1.227 Z: 10 16.694 1.646 0.814 0.917 1.000 0.889 O 1.315 Z: 6 10.687 1.687 1.210 0.689 0.800 0.800 N 1.348 Z: 10 2.821 1.751 0.394 0.475 0.778 0.444 CB 0.508 Z: 11 6.614 1.772 0.563 0.400 0.900 0.600 CB 0.933 10 residues pruned to eliminate duplicates Z: 6 6.746 1.525 0.466 0.671 0.800 0.400 N 1.440 Z: 14 17.966 1.841 0.678 0.829 0.923 0.538 CB 1.315 14 residues pruned to eliminate duplicates Z: 15 6.421 1.696 0.613 0.338 0.786 0.429 CB 0.953 12 residues pruned to eliminate duplicates Z: 9 8.135 1.740 0.604 0.789 0.875 0.625 CB 0.913 16 residues pruned to eliminate duplicates Z: 22 24.171 1.762 0.934 0.830 0.905 0.762 CB 1.287 Z: 15 21.568 1.865 1.086 0.835 0.786 0.429 CB 1.413 15 residues pruned to eliminate duplicates Z: 24 11.907 1.768 0.692 0.373 0.783 0.391 CB 1.215 15 residues pruned to eliminate duplicates Z: 11 6.515 1.596 0.768 0.289 0.900 0.300 CB 1.028 Z: 15 14.861 1.729 0.606 0.723 0.857 0.571 CB 1.365 27 residues pruned to eliminate duplicates Z: 13 20.776 1.733 0.990 0.876 0.917 0.833 CB 1.378 12 residues pruned to eliminate duplicates Z: 6 3.456 1.560 0.639 0.392 0.800 0.600 CB 0.847 Z: 13 11.284 1.725 0.696 0.553 0.833 0.583 CB 1.269 9 residues pruned to eliminate duplicates Z: 18 21.209 1.687 0.893 0.744 0.941 0.529 O 1.377 Z: 23 9.680 1.816 0.504 0.331 0.727 0.500 CB 1.250 8 residues pruned to eliminate duplicates Z: 15 8.651 1.681 0.560 0.337 0.786 0.500 CB 1.341 15 residues pruned to eliminate duplicates Z: 8 4.565 1.610 0.748 0.255 0.714 0.429 N 1.137 8 residues pruned to eliminate duplicates Z: 10 8.823 1.853 0.798 0.288 0.889 0.333 CB 1.260 9 residues pruned to eliminate duplicates Z: 11 12.814 1.670 1.156 0.778 0.800 0.400 CB 1.101 10 residues pruned to eliminate duplicates Z: 8 9.306 1.800 0.341 0.506 1.000 0.714 CB 1.449 Z: 9 22.221 1.963 1.077 0.904 1.000 1.000 CB 1.373 9 residues pruned to eliminate duplicates Z: 11 5.491 1.540 0.251 0.360 0.900 0.500 CB 1.164 9 residues pruned to eliminate duplicates Z: 11 8.772 1.605 1.141 0.642 0.700 0.500 CB 1.010 11 residues pruned to eliminate duplicates Z: 16 10.710 1.612 0.402 0.752 0.800 0.667 CB 1.221 13 residues pruned to eliminate duplicates Z: 15 21.275 1.881 0.655 0.888 0.929 0.786 CB 1.417 15 residues pruned to eliminate duplicates Z: 18 5.245 1.669 0.555 0.196 0.706 0.235 CB 0.997 18 residues pruned to eliminate duplicates Z: 16 24.721 1.846 0.948 0.869 0.867 0.533 CB 1.495 16 residues pruned to eliminate duplicates Z: 9 2.609 1.613 0.157 0.504 0.750 0.375 CB 0.657 9 residues pruned to eliminate duplicates Z: 13 17.606 1.713 0.870 0.917 1.000 0.917 CB 1.120 13 residues pruned to eliminate duplicates Z: 12 9.523 1.823 0.321 0.419 0.909 0.455 CB 1.426 Z: 8 4.202 1.626 0.161 0.489 0.714 0.429 CB 1.191 Z: 9 10.097 1.811 0.698 0.743 0.625 0.500 CB 1.494 9 residues pruned to eliminate duplicates Z: 9 7.480 1.706 0.723 0.471 0.750 0.375 CB 1.236 5 residues pruned to eliminate duplicates Z: 8 10.964 1.666 1.027 0.605 0.857 0.714 O 1.296 10 residues pruned to eliminate duplicates Z: 9 7.691 1.626 0.511 0.831 0.750 0.500 O 1.108 9 residues pruned to eliminate duplicates Z: 6 5.447 1.600 0.124 0.632 1.000 0.800 C 1.197 Z: 15 6.798 1.651 0.592 0.299 0.786 0.786 CB 1.101 Z: 17 18.027 1.735 0.756 0.783 0.812 0.438 O 1.420 17 residues pruned to eliminate duplicates Z: 11 8.221 1.625 0.930 0.779 0.800 0.700 CB 0.810 Z: 7 4.531 1.742 0.426 0.499 0.667 0.500 CB 1.118 5 residues pruned to eliminate duplicates Z: 27 18.755 1.773 0.912 0.584 0.654 0.346 O 1.532 Z: 8 7.566 1.610 0.697 0.459 0.857 0.714 CB 1.274 7 residues pruned to eliminate duplicates Z: 15 18.308 1.664 0.826 0.812 0.857 0.786 CB 1.432 21 residues pruned to eliminate duplicates Z: 8 15.909 1.799 1.102 0.737 0.857 0.286 CB 1.499 8 residues pruned to eliminate duplicates Z: 10 8.276 1.807 0.177 0.754 0.889 0.667 CB 1.164 10 residues pruned to eliminate duplicates Z: 6 9.907 1.985 0.501 0.867 1.000 1.000 CB 1.087 7 residues pruned to eliminate duplicates Z: 10 11.766 1.854 0.766 0.474 0.889 0.333 CB 1.384 10 residues pruned to eliminate duplicates Z: 21 9.969 1.760 0.434 0.236 0.850 0.500 CB 1.411 Z: 7 3.602 1.656 0.087 0.379 0.667 0.500 O 1.393 Z: 8 8.368 1.603 0.270 0.850 1.000 0.714 O 1.150 Z: 15 18.262 1.643 0.826 0.897 1.000 0.714 CB 1.165 15 residues pruned to eliminate duplicates Z: 10 5.440 1.585 0.547 0.320 0.667 0.444 CB 1.354 Z: 11 8.292 1.720 0.880 0.281 0.800 0.500 N 1.297 13 residues pruned to eliminate duplicates Z: 27 8.529 1.657 0.570 0.237 0.654 0.231 CB 1.334 Z: 10 10.241 1.689 0.588 0.745 0.778 0.667 CB 1.314 18 residues pruned to eliminate duplicates Z: 6 2.356 1.501 0.155 0.372 0.800 0.600 CB 0.871 Z: 8 2.762 1.369 0.487 0.274 0.571 0.429 O 1.160 Z: 16 20.151 1.781 0.774 0.887 1.000 0.867 CB 1.187 15 residues pruned to eliminate duplicates Z: 8 11.399 1.792 0.730 0.727 0.857 0.714 CB 1.321 Z: 15 21.963 1.854 0.982 0.861 1.000 0.571 CB 1.173 15 residues pruned to eliminate duplicates Z: 10 10.664 1.789 0.797 0.785 0.889 0.333 CB 0.968 10 residues pruned to eliminate duplicates Z: 13 13.557 1.740 0.741 0.495 0.833 0.583 O 1.558 11 residues pruned to eliminate duplicates Z: 24 25.855 1.775 0.662 0.859 1.000 0.870 CB 1.345 22 residues pruned to eliminate duplicates Z: 15 17.513 1.736 0.671 0.812 0.929 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 7 10.190 1.786 0.940 0.540 1.000 0.500 CB 1.154 7 residues pruned to eliminate duplicates Z: 13 15.762 1.732 1.011 0.882 0.833 0.583 CB 1.134 13 residues pruned to eliminate duplicates Z: 14 7.008 1.656 0.347 0.375 0.692 0.385 O 1.438 11 residues pruned to eliminate duplicates Z: 9 9.692 1.796 0.557 0.806 0.750 0.625 CB 1.252 9 residues pruned to eliminate duplicates Z: 26 9.411 1.643 0.573 0.297 0.720 0.520 CB 1.268 14 residues pruned to eliminate duplicates Z: 7 11.083 1.775 0.414 0.799 1.000 0.833 O 1.388 6 residues pruned to eliminate duplicates Z: 8 2.507 1.513 0.228 0.466 0.714 0.571 CB 0.739 Z: 6 5.100 1.562 0.689 0.829 0.800 0.800 CB 0.813 Z: 15 11.905 1.843 0.548 0.400 0.929 0.571 CB 1.336 18 residues pruned to eliminate duplicates Z: 20 5.898 1.640 0.254 0.424 0.632 0.526 CB 1.128 11 residues pruned to eliminate duplicates Z: 16 22.813 1.784 1.183 0.798 0.867 0.467 CB 1.344 16 residues pruned to eliminate duplicates Z: 8 9.935 1.589 0.900 0.805 1.000 0.571 CB 0.953 8 residues pruned to eliminate duplicates Z: 20 25.591 1.756 1.111 0.920 1.000 0.684 CB 1.116 20 residues pruned to eliminate duplicates Z: 19 22.436 1.800 0.591 0.928 1.000 0.944 O 1.292 19 residues pruned to eliminate duplicates 6 1.519 1.516 0.393 0.100 0.600 0.400 N 0.894 ? Z: 10 14.406 1.605 0.817 0.871 1.000 0.889 O 1.201 9 residues pruned to eliminate duplicates Z: 10 8.891 1.656 0.370 0.705 0.889 0.667 O 1.220 7 residues pruned to eliminate duplicates Z: 7 4.450 1.922 0.160 0.160 0.833 0.500 CB 1.482 7 residues pruned to eliminate duplicates Z: 14 27.587 1.900 1.266 0.909 1.000 0.846 CB 1.261 14 residues pruned to eliminate duplicates Z: 6 4.797 1.121 1.102 0.636 1.000 0.800 C 0.802 Z: 18 34.628 1.958 1.156 0.843 0.941 0.824 O 1.574 18 residues pruned to eliminate duplicates Z: 14 11.882 1.613 0.858 0.786 0.769 0.615 CB 1.112 Z: 12 12.471 1.584 0.523 0.735 1.000 0.818 CB 1.262 9 residues pruned to eliminate duplicates Z: 9 14.823 1.764 0.595 0.874 1.000 1.000 CB 1.356 14 residues pruned to eliminate duplicates Z: 12 16.407 1.707 0.744 0.869 0.909 0.909 O 1.336 12 residues pruned to eliminate duplicates Z: 7 10.798 1.919 0.476 0.716 1.000 0.667 CB 1.280 7 residues pruned to eliminate duplicates Z: 8 16.503 1.836 1.011 0.831 1.000 0.714 CB 1.269 8 residues pruned to eliminate duplicates Z: 7 4.699 1.592 0.520 0.511 0.667 0.667 N 1.176 Z: 16 12.748 1.757 0.527 0.856 1.000 0.867 CB 0.905 18 residues pruned to eliminate duplicates Z: 9 6.275 1.516 0.559 0.645 0.875 0.750 CB 0.937 Z: 9 5.091 1.613 0.564 0.543 0.500 0.375 CB 1.368 9 residues pruned to eliminate duplicates Z: 25 27.805 1.877 0.941 0.853 0.875 0.583 CB 1.316 25 residues pruned to eliminate duplicates Z: 6 7.051 1.724 0.628 0.788 0.600 0.600 CB 1.454 6 residues pruned to eliminate duplicates Z: 11 6.821 1.473 0.603 0.461 0.800 0.500 CB 1.188 Z: 7 3.518 1.705 -0.081 0.443 0.667 0.500 CB 1.458 7 residues pruned to eliminate duplicates Z: 20 7.836 1.518 0.388 0.369 0.789 0.474 CB 1.243 8 residues pruned to eliminate duplicates Z: 13 11.659 1.605 0.953 0.841 0.917 0.667 CB 0.874 13 residues pruned to eliminate duplicates Z: 13 14.399 1.583 0.931 0.809 0.917 0.750 CB 1.133 Z: 10 9.331 1.662 0.492 0.643 0.889 0.556 CB 1.234 Z: 22 27.952 1.854 0.739 0.922 1.000 0.857 O 1.330 22 residues pruned to eliminate duplicates Z: 8 12.049 1.649 0.649 0.835 1.000 0.571 CB 1.254 Z: 13 6.099 1.631 0.514 0.361 0.667 0.500 CB 1.242 Z: 10 3.288 1.451 0.406 0.347 0.667 0.444 N 0.951 Z: 7 3.118 1.725 0.733 0.379 0.667 0.667 CB 0.726 Z: 9 8.093 1.507 0.881 0.619 0.750 0.250 O 1.203 9 residues pruned to eliminate duplicates Z: 18 17.179 1.778 0.452 0.904 0.941 0.824 CB 1.221 18 residues pruned to eliminate duplicates Z: 6 10.378 1.713 0.443 0.859 1.000 1.000 CB 1.382 Z: 17 24.364 1.832 0.741 0.908 1.000 0.938 O 1.357 17 residues pruned to eliminate duplicates Z: 16 26.741 1.850 0.931 0.879 1.000 0.733 CB 1.401 16 residues pruned to eliminate duplicates Z: 6 6.234 1.740 0.330 0.611 1.000 0.800 CB 1.084 Z: 10 15.223 1.776 0.928 0.688 0.889 0.333 O 1.403 10 residues pruned to eliminate duplicates Z: 8 3.945 1.636 0.150 0.360 0.857 0.286 CB 1.075 Z: 9 10.085 1.659 0.620 0.530 0.875 0.625 O 1.473 6 1.868 1.378 0.737 0.435 0.600 0.400 CB 0.622 ? Z: 13 8.205 1.487 0.561 0.616 0.833 0.500 CB 1.097 Z: 8 10.895 1.508 0.763 0.846 1.000 0.714 CB 1.151 6 residues pruned to eliminate duplicates Z: 12 10.447 1.776 0.664 0.752 0.909 0.455 CB 0.937 12 residues pruned to eliminate duplicates 6 1.221 1.409 0.396 0.291 0.600 0.600 CB 0.585 ? Z: 9 3.884 1.490 0.336 0.348 0.750 0.250 N 1.084 Z: 11 6.271 1.646 0.574 0.479 0.700 0.500 CB 1.116 7 residues pruned to eliminate duplicates Z: 27 10.052 1.580 0.561 0.501 0.808 0.423 CB 0.988 16 residues pruned to eliminate duplicates Z: 9 5.080 1.699 0.181 0.492 0.750 0.375 CB 1.202 9 residues pruned to eliminate duplicates Z: 7 6.325 1.462 0.567 0.624 0.833 0.500 N 1.203 Z: 8 6.692 1.502 0.697 0.731 0.714 0.286 CB 1.129 5 residues pruned to eliminate duplicates Z: 10 2.425 1.550 0.634 0.178 0.778 0.222 CB 0.606 Z: 6 3.299 1.499 0.327 0.480 0.800 0.400 N 0.947 Z: 6 3.162 1.562 0.465 0.347 0.600 0.400 CB 1.216 Z: 19 26.638 1.834 0.956 0.897 1.000 0.722 CB 1.253 19 residues pruned to eliminate duplicates Z: 15 10.511 1.620 0.690 0.464 0.857 0.643 CB 1.243 10 residues pruned to eliminate duplicates Z: 17 20.986 1.782 0.748 0.893 1.000 0.750 CB 1.210 17 residues pruned to eliminate duplicates Z: 13 4.927 1.566 0.280 0.297 0.833 0.417 CB 1.069 11 residues pruned to eliminate duplicates Z: 15 23.738 1.866 1.142 0.850 0.929 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 13 17.582 1.849 0.466 0.841 0.917 0.750 O 1.523 12 residues pruned to eliminate duplicates Z: 9 4.575 1.619 0.074 0.282 0.875 0.750 N 1.360 Z: 13 19.882 1.742 0.927 0.900 1.000 0.917 CB 1.222 13 residues pruned to eliminate duplicates Z: 7 5.954 1.575 0.534 0.689 0.833 0.500 CB 1.016 Z: 6 6.717 1.592 0.969 0.555 0.800 0.400 O 1.136 Z: 10 3.681 1.640 0.229 0.351 0.778 0.444 CB 0.921 Z: 9 6.676 1.456 0.688 0.735 0.750 0.250 O 1.037 9 residues pruned to eliminate duplicates Z: 7 8.032 1.692 0.728 0.523 0.833 0.500 CB 1.315 Z: 11 11.080 1.616 0.465 0.879 1.000 0.900 CB 1.074 4 residues pruned to eliminate duplicates Z: 9 14.973 1.853 0.747 0.791 1.000 0.750 CB 1.266 9 residues pruned to eliminate duplicates Z: 7 5.284 1.573 0.624 0.620 0.833 0.667 CB 0.905 Z: 29 23.087 1.761 0.998 0.599 0.786 0.500 CB 1.437 29 residues pruned to eliminate duplicates Z: 8 4.706 1.622 0.351 0.869 0.857 0.857 CB 0.692 8 residues pruned to eliminate duplicates Z: 6 4.082 1.639 0.387 0.300 0.800 0.600 CB 1.255 6 residues pruned to eliminate duplicates Z: 7 5.187 1.593 0.523 0.542 0.833 0.667 CB 1.005 7 residues pruned to eliminate duplicates Z: 14 18.338 1.691 0.905 0.913 0.923 0.923 CB 1.211 14 residues pruned to eliminate duplicates Z: 21 30.257 1.909 1.116 0.845 0.850 0.850 CB 1.466 21 residues pruned to eliminate duplicates Z: 7 2.262 1.541 0.317 0.244 0.667 0.667 CB 0.918 Z: 8 7.984 1.788 0.517 0.520 0.714 0.714 CB 1.527 8 residues pruned to eliminate duplicates Z: 9 3.057 1.493 0.716 0.187 0.625 0.500 CB 0.983 Z: 13 3.858 1.599 0.803 0.163 0.667 0.333 CB 0.874 Z: 6 5.933 1.608 0.482 0.781 0.800 0.400 O 1.087 Z: 10 15.269 1.663 0.682 0.835 1.000 0.778 O 1.362 9 residues pruned to eliminate duplicates Z: 7 6.994 1.439 0.630 0.708 0.833 0.667 O 1.209 7 residues pruned to eliminate duplicates Z: 12 6.456 1.524 0.531 0.319 0.818 0.727 CB 1.245 16 residues pruned to eliminate duplicates Z: 6 3.231 1.534 0.869 0.293 1.000 0.200 CB 0.636 Z: 11 10.279 1.540 0.793 0.870 0.900 0.700 CB 0.955 Z: 10 12.469 1.769 0.453 0.826 1.000 1.000 CB 1.220 10 residues pruned to eliminate duplicates Z: 7 3.937 1.397 0.381 0.553 0.833 0.500 CB 0.949 Z: 7 6.678 1.605 0.631 0.732 0.833 0.500 CB 1.014 7 residues pruned to eliminate duplicates Z: 8 8.540 1.656 0.396 0.822 0.857 0.714 CB 1.232 Z: 12 4.845 1.476 0.285 0.410 0.727 0.545 CB 1.163 Z: 8 8.084 1.596 0.660 0.767 0.857 0.714 CB 1.062 Z: 25 28.494 1.837 0.757 0.872 0.958 0.833 O 1.371 25 residues pruned to eliminate duplicates Z: 6 6.253 1.573 0.533 0.693 0.800 0.600 N 1.215 Z: 9 5.752 1.709 0.262 0.564 0.750 0.750 CB 1.181 9 residues pruned to eliminate duplicates Z: 8 11.088 1.786 1.167 0.899 1.000 0.857 CB 0.774 Z: 6 3.435 1.611 0.383 0.352 0.800 0.400 CB 1.012 Z: 11 11.167 1.412 0.680 0.828 0.900 0.600 O 1.245 Z: 6 3.238 1.715 0.556 0.847 1.000 0.800 CB 0.403 Z: 9 23.356 1.956 1.304 0.884 1.000 0.750 CB 1.323 9 residues pruned to eliminate duplicates Z: 13 14.870 1.761 1.023 0.586 0.833 0.500 CB 1.331 13 residues pruned to eliminate duplicates Z: 16 19.448 1.833 0.649 0.891 1.000 0.933 CB 1.195 16 residues pruned to eliminate duplicates Z: 7 6.856 1.818 0.244 0.834 1.000 1.000 CB 0.927 Z: 11 7.563 1.639 0.662 0.440 0.800 0.600 CB 1.167 Z: 10 7.952 1.410 0.901 0.601 0.778 0.778 O 1.155 Z: 21 11.710 1.686 0.651 0.461 0.750 0.450 CB 1.306 7 residues pruned to eliminate duplicates Z: 9 13.928 1.726 0.673 0.721 1.000 0.875 CB 1.397 Z: 16 4.469 1.460 0.322 0.402 0.733 0.400 CB 0.904 Z: 13 7.558 1.492 0.821 0.787 0.833 0.583 CB 0.748 12 residues pruned to eliminate duplicates Z: 6 4.579 1.598 0.159 0.805 0.800 0.600 CB 1.059 Z: 7 7.205 1.521 0.788 0.724 0.833 0.667 O 1.060 7 residues pruned to eliminate duplicates Z: 10 9.837 1.779 0.624 0.802 1.000 0.556 CB 0.872 10 residues pruned to eliminate duplicates Z: 18 13.218 1.581 0.586 0.838 1.000 0.706 CB 0.955 18 residues pruned to eliminate duplicates Z: 8 7.037 1.470 0.578 0.875 1.000 0.857 CB 0.834 6 residues pruned to eliminate duplicates Z: 7 4.984 1.724 0.966 0.240 0.667 0.500 N 1.217 Z: 14 12.796 1.761 0.687 0.557 0.846 0.538 O 1.336 18 residues pruned to eliminate duplicates Z: 6 4.522 1.505 0.940 0.368 0.800 0.600 CB 0.998 Z: 7 2.730 1.645 0.164 0.366 0.667 0.333 CB 1.008 Z: 15 5.889 1.547 0.369 0.374 0.786 0.500 CB 1.082 Z: 8 11.086 1.513 0.670 0.887 1.000 0.857 CB 1.196 6 residues pruned to eliminate duplicates Z: 15 9.062 1.784 0.835 0.379 0.714 0.500 CB 1.178 15 residues pruned to eliminate duplicates Z: 9 7.444 1.440 0.463 0.824 0.875 0.750 O 1.078 9 residues pruned to eliminate duplicates Z: 6 5.848 1.449 0.552 0.676 1.000 1.000 CB 0.989 Z: 8 4.548 1.384 0.289 0.538 0.857 0.571 N 1.084 Z: 8 4.778 1.372 0.528 0.592 0.857 0.714 N 0.920 8 residues pruned to eliminate duplicates Z: 12 12.330 1.806 0.696 0.470 0.909 0.545 CB 1.377 15 residues pruned to eliminate duplicates Z: 8 7.054 1.615 0.352 0.507 0.857 0.571 CB 1.415 Z: 7 3.563 1.701 0.533 0.383 0.833 0.667 CB 0.758 Z: 14 6.929 1.535 0.327 0.731 0.769 0.538 CB 0.997 Z: 7 5.380 1.495 0.744 0.651 0.667 0.500 N 1.098 Z: 18 9.292 1.707 0.419 0.498 0.824 0.588 CB 1.133 21 residues pruned to eliminate duplicates Z: 6 3.107 1.630 0.702 0.297 0.600 0.400 CB 1.047 Z: 16 5.435 1.511 0.122 0.371 0.800 0.333 N 1.187 Z: 8 9.954 1.554 0.784 0.822 1.000 0.857 O 1.026 8 residues pruned to eliminate duplicates Z: 14 22.818 1.838 0.863 0.891 1.000 0.846 CB 1.329 14 residues pruned to eliminate duplicates Z: 7 5.312 1.674 0.590 0.878 1.000 0.833 CB 0.591 Z: 12 11.277 1.574 0.804 0.512 0.909 0.545 CB 1.302 12 residues pruned to eliminate duplicates Z: 7 5.244 1.301 0.476 0.846 0.833 0.667 O 0.994 Z: 6 2.989 1.456 0.554 0.342 0.800 0.600 CB 0.877 4 residues pruned to eliminate duplicates Z: 14 11.091 1.662 0.398 0.748 0.846 0.462 CB 1.254 11 residues pruned to eliminate duplicates Z: 9 4.626 1.496 0.869 0.202 0.750 0.375 CB 1.112 Z: 36 13.724 1.708 0.743 0.402 0.743 0.429 CB 1.163 34 residues pruned to eliminate duplicates Z: 12 9.740 1.431 0.645 0.714 0.818 0.182 CB 1.256 7 residues pruned to eliminate duplicates Z: 11 3.292 1.329 0.370 0.222 0.800 0.500 CB 0.990 Z: 11 5.624 1.509 0.285 0.753 0.900 0.700 CB 0.813 7 residues pruned to eliminate duplicates Z: 6 2.723 1.522 0.452 0.495 0.600 0.600 O 0.923 6 residues pruned to eliminate duplicates Z: 8 5.525 1.488 0.530 0.580 0.857 0.571 CB 0.991 Z: 16 3.357 1.500 0.330 0.292 0.533 0.200 CB 1.029 16 residues pruned to eliminate duplicates Z: 10 5.527 1.621 0.560 0.309 0.778 0.667 CB 1.158 10 residues pruned to eliminate duplicates Z: 8 5.389 1.543 0.344 0.393 1.000 0.571 CB 1.100 Z: 7 6.779 1.617 0.486 0.488 0.833 0.333 CB 1.399 7 residues pruned to eliminate duplicates Z: 10 8.468 1.590 0.635 0.818 0.889 0.444 CB 0.927 10 residues pruned to eliminate duplicates Z: 11 2.671 1.614 0.336 0.196 0.700 0.200 CB 0.803 Z: 6 5.137 1.615 0.232 0.519 0.800 0.800 CB 1.416 Z: 6 4.654 1.659 -0.053 0.747 1.000 1.000 CB 1.063 Z: 7 2.262 1.388 0.389 0.245 0.667 0.333 CB 0.965 Z: 10 16.015 1.728 0.558 0.884 1.000 0.889 CB 1.434 10 residues pruned to eliminate duplicates Z: 8 4.076 1.603 0.730 0.527 0.714 0.429 CB 0.757 Z: 14 16.998 1.683 0.728 0.767 0.923 0.692 CB 1.386 12 residues pruned to eliminate duplicates Z: 7 2.757 1.496 0.082 0.346 0.667 0.167 CB 1.233 Z: 7 7.508 1.793 0.554 0.781 1.000 0.667 CB 0.859 Z: 14 9.083 1.601 0.409 0.379 0.923 0.462 N 1.376 14 residues pruned to eliminate duplicates Z: 6 5.745 1.540 0.267 0.786 1.000 0.600 N 1.024 6 residues pruned to eliminate duplicates Z: 8 2.831 1.610 -0.216 0.462 0.714 0.571 CB 1.235 Z: 20 7.822 1.704 0.635 0.232 0.842 0.526 CB 1.045 15 residues pruned to eliminate duplicates Z: 8 5.195 1.536 0.190 0.540 1.000 1.000 O 1.033 9 residues pruned to eliminate duplicates Z: 8 4.874 1.422 0.640 0.249 0.857 0.286 CB 1.231 8 residues pruned to eliminate duplicates Z: 25 8.505 1.602 0.565 0.421 0.708 0.417 CB 1.062 25 residues pruned to eliminate duplicates 6 1.161 1.319 0.376 0.465 0.600 0.600 N 0.494 ? Z: 7 4.513 1.480 0.450 0.706 1.000 0.667 CB 0.712 5 residues pruned to eliminate duplicates Z: 10 10.378 1.585 0.637 0.845 0.889 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 8 4.094 1.413 1.022 0.377 0.857 0.429 CB 0.721 Z: 14 14.025 1.605 0.936 0.831 0.846 0.769 CB 1.112 14 residues pruned to eliminate duplicates Z: 10 9.098 1.519 0.721 0.793 0.778 0.556 O 1.153 10 residues pruned to eliminate duplicates Z: 7 3.650 1.625 0.777 0.387 0.500 0.333 CB 1.164 Z: 9 9.584 1.473 0.464 0.904 1.000 1.000 CB 1.119 7 residues pruned to eliminate duplicates Z: 20 11.729 1.721 0.739 0.523 0.737 0.579 CB 1.193 33 residues pruned to eliminate duplicates Z: 7 7.211 1.636 0.980 0.834 0.833 0.833 CB 0.818 7 residues pruned to eliminate duplicates Z: 16 11.203 1.513 0.880 0.731 0.867 0.667 CB 0.953 16 residues pruned to eliminate duplicates Z: 16 6.830 1.526 0.930 0.383 0.800 0.600 CB 0.848 Z: 18 10.291 1.519 0.563 0.748 0.765 0.647 CB 1.101 13 residues pruned to eliminate duplicates Z: 7 3.458 1.651 0.491 0.565 0.667 0.333 CB 0.808 Z: 6 3.248 1.344 1.070 0.422 0.600 0.600 CB 0.944 Z: 6 2.963 1.638 0.712 0.752 0.600 0.600 CB 0.629 6 residues pruned to eliminate duplicates Z: 13 12.089 1.593 0.819 0.753 0.833 0.250 CB 1.154 14 residues pruned to eliminate duplicates Z: 15 10.021 1.448 0.465 0.839 0.929 0.857 CB 1.016 11 residues pruned to eliminate duplicates Z: 8 8.507 1.581 0.483 0.841 1.000 1.000 O 1.022 9 residues pruned to eliminate duplicates Z: 14 11.305 1.661 0.519 0.591 0.846 0.308 CB 1.347 6 residues pruned to eliminate duplicates Z: 6 9.852 1.633 0.718 0.816 1.000 1.000 CB 1.194 6 residues pruned to eliminate duplicates Z: 13 7.467 1.499 0.703 0.356 0.833 0.583 CB 1.184 12 residues pruned to eliminate duplicates Z: 21 10.880 1.676 0.549 0.483 0.800 0.400 CB 1.192 9 residues pruned to eliminate duplicates Z: 6 3.274 1.205 0.148 0.588 1.000 0.600 N 0.973 Z: 7 6.956 1.608 0.363 0.560 1.000 0.833 CB 1.223 Z: 6 4.666 1.600 0.281 0.826 0.800 0.400 CB 0.960 6 residues pruned to eliminate duplicates Z: 8 9.806 1.578 0.671 0.886 1.000 0.857 CB 1.014 8 residues pruned to eliminate duplicates Z: 6 4.071 1.493 0.413 0.444 0.800 0.400 N 1.143 7 1.295 1.218 0.589 0.233 0.500 0.500 O 0.746 ? Z: 7 3.602 1.552 0.614 0.770 0.833 0.667 CB 0.555 Z: 10 9.489 1.669 0.476 0.579 1.000 0.556 CB 1.190 10 residues pruned to eliminate duplicates Z: 24 11.781 1.730 0.699 0.480 0.870 0.609 CB 0.980 24 residues pruned to eliminate duplicates Z: 9 2.307 1.462 0.673 0.144 0.625 0.375 CB 0.828 Z: 8 7.745 1.692 0.648 0.676 0.714 0.571 CB 1.250 8 residues pruned to eliminate duplicates Z: 6 4.532 1.475 0.572 0.554 0.800 0.600 CB 1.037 Z: 9 6.078 1.580 0.942 0.335 0.750 0.375 N 1.119 Z: 9 19.221 1.938 0.925 0.759 1.000 0.625 CB 1.447 12 residues pruned to eliminate duplicates Z: 6 2.566 1.332 0.679 0.461 0.600 0.200 CB 0.890 Z: 9 6.175 1.647 0.868 0.725 0.750 0.625 CB 0.773 11 residues pruned to eliminate duplicates Z: 6 7.216 1.647 0.206 0.865 1.000 1.000 O 1.190 6 residues pruned to eliminate duplicates Z: 7 4.792 1.490 0.898 0.468 0.833 0.333 N 0.858 Z: 24 17.559 1.618 0.596 0.848 0.913 0.783 O 1.152 24 residues pruned to eliminate duplicates Z: 7 4.107 1.313 0.319 0.609 0.833 0.667 N 1.047 Z: 6 4.397 1.504 0.361 0.385 0.800 0.600 N 1.357 Z: 10 7.148 1.494 0.662 0.558 0.778 0.333 N 1.167 Z: 6 5.255 1.573 0.931 0.604 0.800 0.600 CB 0.876 Z: 20 35.248 1.893 1.170 0.926 1.000 0.789 CB 1.380 20 residues pruned to eliminate duplicates Z: 9 4.619 1.328 0.324 0.475 1.000 0.750 CB 0.952 Z: 12 3.877 1.604 0.335 0.218 0.727 0.636 CB 1.046 12 residues pruned to eliminate duplicates Z: 17 7.863 1.781 0.975 0.728 0.812 0.500 CB 0.560 17 residues pruned to eliminate duplicates Z: 6 6.229 1.495 0.696 0.859 1.000 0.800 CB 0.808 Z: 17 14.695 1.852 0.703 0.508 0.875 0.688 CB 1.321 66 residues pruned to eliminate duplicates Z: 6 7.633 1.561 0.435 0.842 1.000 0.600 CB 1.136 6 residues pruned to eliminate duplicates Z: 16 6.438 1.540 0.124 0.366 0.867 0.533 CB 1.280 Z: 10 14.483 1.643 1.035 0.673 0.889 0.667 CB 1.385 10 residues pruned to eliminate duplicates 6 1.798 1.525 0.340 0.330 0.600 0.400 CB 0.790 ? Z: 7 3.146 1.553 0.017 0.539 0.667 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 11 5.662 1.631 0.190 0.745 0.900 0.700 CB 0.823 Z: 10 7.820 1.794 0.599 0.512 0.778 0.444 CB 1.155 10 residues pruned to eliminate duplicates Z: 7 3.403 1.456 0.550 0.311 0.667 0.500 CB 1.138 Z: 7 2.840 1.461 0.432 0.466 0.667 0.333 CB 0.860 Z: 16 9.462 1.574 0.584 0.545 0.800 0.467 CB 1.172 Z: 6 4.035 1.566 0.403 0.618 0.800 0.800 CB 0.919 6 residues pruned to eliminate duplicates Z: 6 6.338 1.346 0.595 0.840 1.000 1.000 CB 0.985 Z: 7 5.675 1.568 0.936 0.713 0.667 0.333 CB 0.944 7 residues pruned to eliminate duplicates Z: 8 3.025 1.566 0.104 0.227 0.714 0.286 CB 1.273 Z: 6 2.077 1.524 0.051 0.280 0.800 0.600 CB 0.929 Z: 15 5.928 1.526 0.238 0.375 0.929 0.643 CB 1.033 Z: 7 5.433 1.433 0.278 0.519 1.000 0.500 CB 1.189 Z: 14 8.994 1.523 0.787 0.728 0.769 0.538 CB 0.970 14 residues pruned to eliminate duplicates Z: 6 3.761 1.474 0.261 0.711 0.800 0.600 CB 0.934 4 residues pruned to eliminate duplicates Z: 6 3.958 1.619 0.590 0.756 0.800 0.800 CB 0.684 Z: 9 3.182 1.334 -0.079 0.406 0.875 0.500 N 1.154 Z: 9 4.882 1.490 0.533 0.427 0.625 0.375 O 1.304 Z: 19 11.185 1.718 0.654 0.486 0.667 0.333 CB 1.412 23 residues pruned to eliminate duplicates Z: 13 7.183 1.423 0.098 0.726 1.000 0.583 CB 1.083 13 residues pruned to eliminate duplicates Z: 15 8.752 1.563 0.501 0.646 0.714 0.429 CB 1.218 23 residues pruned to eliminate duplicates Z: 7 5.077 1.514 0.442 0.513 0.833 0.667 CB 1.124 7 residues pruned to eliminate duplicates Z: 7 5.097 1.608 0.003 0.878 1.000 1.000 O 0.937 7 residues pruned to eliminate duplicates Z: 10 5.876 1.449 0.653 0.305 0.889 0.556 CB 1.143 Z: 7 7.987 1.755 0.166 0.580 1.000 0.667 CB 1.476 Z: 12 14.477 1.802 0.705 0.666 0.909 0.818 O 1.340 9 residues pruned to eliminate duplicates Z: 18 6.715 1.487 0.454 0.305 0.824 0.588 CB 1.135 15 residues pruned to eliminate duplicates Z: 6 2.900 1.294 0.326 0.416 1.000 0.600 CB 0.825 6 1.299 1.243 0.464 0.312 0.400 0.400 O 0.982 ? Z: 7 3.662 1.424 0.283 0.410 0.833 0.833 CB 1.079 Z: 9 14.596 1.631 0.851 0.883 1.000 0.875 CB 1.236 8 residues pruned to eliminate duplicates Z: 17 14.562 1.590 0.500 0.842 0.938 0.688 O 1.214 16 residues pruned to eliminate duplicates Z: 8 3.477 1.446 0.957 0.379 0.571 0.286 CB 0.924 8 residues pruned to eliminate duplicates Z: 10 4.200 1.634 0.537 0.372 0.889 0.778 CB 0.720 10 residues pruned to eliminate duplicates Z: 9 8.300 1.340 0.832 0.805 1.000 0.375 CB 0.916 Z: 16 10.833 1.652 0.833 0.544 0.800 0.667 CB 1.106 16 residues pruned to eliminate duplicates Z: 9 4.220 1.715 0.391 0.375 0.625 0.375 CB 1.144 Z: 7 2.052 1.661 0.462 0.090 0.500 0.167 CB 1.171 7 1.763 1.367 0.371 0.245 0.500 0.500 O 1.031 ? 6 1.686 1.402 0.446 0.383 0.400 0.400 N 1.053 ? Z: 8 4.199 1.512 0.697 0.351 0.714 0.429 N 1.017 Z: 7 4.047 1.505 0.448 0.708 0.667 0.667 CB 0.941 Z: 10 5.376 1.283 0.461 0.707 0.889 0.444 CB 0.891 10 residues pruned to eliminate duplicates 7 1.768 1.432 0.504 0.111 0.500 0.167 CB 1.097 ? Z: 9 5.339 1.655 0.696 0.200 0.750 0.625 N 1.280 Z: 13 10.431 1.338 0.634 0.857 0.917 0.667 CB 1.107 13 residues pruned to eliminate duplicates Z: 8 2.641 1.495 0.498 0.371 0.714 0.571 CB 0.716 Z: 7 7.338 1.621 0.464 0.667 0.833 0.833 N 1.297 7 residues pruned to eliminate duplicates Z: 9 9.040 1.618 0.521 0.875 0.875 0.875 CB 1.080 9 residues pruned to eliminate duplicates Z: 8 3.732 1.381 0.551 0.688 0.857 0.857 CB 0.647 Z: 10 5.785 1.559 0.570 0.465 0.889 0.444 CB 0.918 6 1.947 1.364 -0.017 0.521 0.800 0.800 N 0.795 ? Z: 8 6.708 1.552 0.556 0.817 0.857 0.714 CB 0.930 6 residues pruned to eliminate duplicates Z: 10 4.926 1.397 0.532 0.335 0.778 0.667 CB 1.182 Z: 10 8.412 1.683 0.442 0.681 0.889 0.556 CB 1.101 10 residues pruned to eliminate duplicates Z: 7 4.619 1.694 0.006 0.557 0.833 0.667 N 1.256 7 residues pruned to eliminate duplicates Z: 8 9.226 1.542 0.837 0.705 0.857 0.857 N 1.193 8 residues pruned to eliminate duplicates Z: 13 16.404 1.717 0.985 0.760 0.917 0.667 CB 1.203 13 residues pruned to eliminate duplicates Z: 11 5.753 1.492 0.451 0.843 0.900 0.600 CB 0.695 11 residues pruned to eliminate duplicates Z: 6 2.012 1.210 0.151 0.766 0.600 0.600 CB 0.851 Z: 6 5.320 1.476 0.718 0.669 1.000 0.600 CB 0.802 Z: 7 2.069 1.255 0.111 0.411 0.833 0.333 CB 0.798 Z: 8 8.345 1.586 0.528 0.838 0.857 0.714 CB 1.135 8 residues pruned to eliminate duplicates Z: 6 4.040 1.700 0.073 0.273 1.000 0.600 CB 1.280 Z: 24 10.681 1.714 0.494 0.336 0.870 0.652 CB 1.197 24 residues pruned to eliminate duplicates Z: 9 8.806 1.554 0.661 0.763 1.000 0.625 CB 0.955 9 residues pruned to eliminate duplicates Z: 10 11.717 1.514 0.676 0.863 0.889 0.778 CB 1.271 11 residues pruned to eliminate duplicates Z: 7 2.590 1.294 0.867 0.353 0.500 0.500 O 1.026 Z: 11 4.245 1.519 0.619 0.218 0.700 0.400 CB 1.085 11 residues pruned to eliminate duplicates Z: 9 3.317 1.298 0.657 0.316 0.750 0.375 CB 0.890 Z: 6 4.333 1.461 0.277 0.856 1.000 1.000 CB 0.766 Z: 6 2.780 1.710 0.152 0.324 0.600 0.400 CB 1.276 6 0.879 1.255 0.200 0.231 0.600 0.200 CB 0.596 ? Z: 16 5.850 1.553 0.611 0.279 0.800 0.400 CB 0.969 Z: 10 6.238 1.744 1.010 0.896 1.000 0.889 CB 0.425 7 residues pruned to eliminate duplicates Z: 10 3.365 1.436 0.086 0.378 0.889 0.444 CB 0.921 Z: 6 2.660 1.731 0.265 0.183 0.600 0.200 CB 1.326 Z: 9 6.491 1.718 0.749 0.747 0.750 0.625 CB 0.817 8 residues pruned to eliminate duplicates Z: 10 12.779 1.608 0.775 0.834 0.889 0.778 O 1.258 11 residues pruned to eliminate duplicates Z: 12 13.027 1.730 0.589 0.877 0.909 0.727 CB 1.142 12 residues pruned to eliminate duplicates Z: 17 8.441 1.714 0.480 0.400 0.812 0.375 CB 1.137 17 residues pruned to eliminate duplicates Z: 7 6.246 1.435 0.754 0.824 0.667 0.333 N 1.148 Z: 8 11.371 1.699 1.110 0.887 0.857 0.571 CB 1.009 8 residues pruned to eliminate duplicates Z: 8 3.194 1.365 0.340 0.270 0.714 0.429 N 1.200 Z: 10 8.683 1.697 0.274 0.723 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates Z: 14 7.261 1.385 0.466 0.639 0.769 0.462 CB 1.132 14 residues pruned to eliminate duplicates Z: 8 5.903 1.448 0.568 0.800 1.000 0.571 CB 0.756 8 residues pruned to eliminate duplicates 9 1.920 1.572 0.402 0.268 0.750 0.250 CB 0.534 ? Z: 10 4.796 1.524 1.153 0.254 0.556 0.556 CB 1.163 Z: 9 15.258 1.743 0.909 0.616 1.000 0.750 N 1.453 12 residues pruned to eliminate duplicates Z: 9 8.387 1.577 0.543 0.771 0.875 0.625 CB 1.096 9 residues pruned to eliminate duplicates Z: 8 10.470 1.710 0.950 0.532 0.857 0.571 N 1.341 Z: 12 4.585 1.624 0.181 0.344 0.818 0.364 CB 1.043 12 residues pruned to eliminate duplicates Z: 8 7.350 1.437 0.700 0.789 0.857 0.714 CB 1.029 Z: 14 18.621 1.635 0.866 0.865 0.923 0.769 N 1.344 14 residues pruned to eliminate duplicates Z: 8 7.454 1.550 0.339 0.650 1.000 0.857 CB 1.180 8 residues pruned to eliminate duplicates Z: 6 3.969 1.585 0.593 0.467 0.600 0.400 N 1.211 Z: 6 2.019 1.447 0.487 0.461 0.800 0.600 CB 0.546 Z: 10 6.175 1.496 0.542 0.863 1.000 0.778 CB 0.655 Z: 18 7.558 1.654 0.464 0.359 0.706 0.529 CB 1.248 18 residues pruned to eliminate duplicates Z: 6 4.527 1.536 0.478 0.709 0.600 0.600 O 1.229 6 1.100 1.369 0.325 0.400 0.400 0.400 C 0.753 ? Z: 6 3.890 1.267 0.295 0.736 1.000 1.000 N 0.858 Z: 11 9.322 1.775 0.476 0.292 1.000 0.800 CB 1.420 11 residues pruned to eliminate duplicates Z: 6 3.152 1.612 0.496 0.299 0.600 0.400 CB 1.219 Z: 10 2.703 1.644 -0.153 0.330 0.778 0.444 CB 1.002 12 residues pruned to eliminate duplicates Z: 8 2.727 1.439 0.234 0.160 0.857 0.143 CB 1.027 Z: 7 7.990 1.544 0.371 0.822 1.000 0.833 CB 1.165 Z: 11 4.644 1.451 0.543 0.432 0.900 0.500 CB 0.782 11 residues pruned to eliminate duplicates Z: 9 10.097 1.598 0.580 0.811 1.000 0.750 CB 1.078 9 residues pruned to eliminate duplicates Z: 8 7.338 1.682 0.572 0.875 1.000 0.857 CB 0.762 7 residues pruned to eliminate duplicates Z: 10 5.162 1.527 0.322 0.890 1.000 1.000 CB 0.613 10 residues pruned to eliminate duplicates Z: 6 2.096 1.281 0.311 0.338 0.800 0.200 O 0.832 Z: 17 7.695 1.629 0.278 0.454 0.812 0.375 CB 1.192 15 residues pruned to eliminate duplicates Z: 7 4.715 1.614 0.259 0.351 1.000 0.500 N 1.114 Z: 7 2.757 1.302 0.534 0.512 1.000 0.667 CB 0.557 Z: 6 2.717 1.503 0.088 0.612 1.000 0.600 CB 0.668 Z: 6 3.403 1.462 -0.016 0.539 0.800 0.800 O 1.273 6 residues pruned to eliminate duplicates Z: 26 21.079 1.642 0.606 0.878 0.960 0.800 CB 1.208 26 residues pruned to eliminate duplicates Z: 13 5.600 1.500 0.388 0.464 0.917 0.333 CB 0.879 Z: 6 3.836 1.551 0.097 0.598 1.000 0.800 CB 0.918 5 residues pruned to eliminate duplicates Z: 6 3.188 1.168 0.517 0.572 0.800 0.400 CB 0.939 Z: 22 13.159 1.752 0.585 0.375 0.857 0.381 CB 1.379 30 residues pruned to eliminate duplicates 930 residues left after pruning, divided into chains as follows: A: 8 B: 14 C: 17 D: 16 E: 18 F: 11 G: 20 H: 16 I: 30 J: 9 K: 8 L: 9 M: 43 N: 28 O: 29 P: 8 Q: 16 R: 12 S: 7 T: 43 U: 8 V: 27 W: 14 X: 10 Y: 9 Z: 10 Z: 17 Z: 15 Z: 11 Z: 14 Z: 6 Z: 12 Z: 10 Z: 21 Z: 6 Z: 22 Z: 6 Z: 10 Z: 10 Z: 29 Z: 19 Z: 18 Z: 9 Z: 7 Z: 13 Z: 9 Z: 10 Z: 8 Z: 7 Z: 10 Z: 6 Z: 16 Z: 6 Z: 17 Z: 8 Z: 7 Z: 23 Z: 6 Z: 7 Z: 21 Z: 6 Z: 24 Z: 15 Z: 21 Z: 8 CC for partial structure against native data = 33.13 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.521, Connect. = 0.720 for dens.mod. cycle 1 = 0.300, Contrast = 0.617, Connect. = 0.746 for dens.mod. cycle 2 = 0.300, Contrast = 0.736, Connect. = 0.770 for dens.mod. cycle 3 = 0.300, Contrast = 0.761, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.778, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.787, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.793, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.795, Connect. = 0.779 for dens.mod. cycle 8 = 0.300, Contrast = 0.796, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.797, Connect. = 0.780 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3631 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1013 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 24 14.904 1.938 0.723 0.451 0.826 0.522 CB 1.184 B: 6 13.143 1.993 0.882 0.836 0.800 0.800 CB 1.466 C: 10 8.182 1.837 0.550 0.461 0.778 0.667 CB 1.281 9 residues pruned to eliminate duplicates D: 16 28.673 1.989 1.086 0.875 0.867 0.733 CB 1.497 E: 15 24.117 2.000 0.907 0.883 0.786 0.786 CB 1.555 15 residues pruned to eliminate duplicates F: 9 7.693 1.896 0.580 0.506 0.750 0.500 CB 1.203 G: 15 10.067 1.932 0.334 0.404 0.786 0.429 CB 1.470 8 residues pruned to eliminate duplicates H: 15 17.679 1.882 0.964 0.556 0.857 0.571 CB 1.412 I: 7 7.243 1.949 0.315 0.877 1.000 0.833 CB 0.838 J: 7 3.542 1.849 0.376 0.430 0.667 0.500 CB 0.917 K: 18 17.348 1.834 0.691 0.849 0.882 0.471 CB 1.139 L: 14 16.134 1.850 0.479 0.815 0.923 0.692 CB 1.347 M: 48 28.697 1.945 0.669 0.632 0.894 0.681 CB 1.275 24 residues pruned to eliminate duplicates N: 14 22.296 1.947 0.840 0.918 1.000 1.000 CB 1.217 O: 13 22.213 1.837 0.792 0.898 1.000 0.917 CB 1.394 13 residues pruned to eliminate duplicates P: 16 33.707 2.079 0.999 0.923 1.000 0.933 CB 1.471 16 residues pruned to eliminate duplicates Q: 13 15.502 1.855 0.368 0.891 1.000 0.833 CB 1.268 R: 12 4.089 1.754 0.612 0.396 0.727 0.364 CB 0.669 S: 15 16.906 1.867 0.588 0.899 1.000 0.857 CB 1.090 15 residues pruned to eliminate duplicates T: 13 19.148 1.871 0.719 0.911 1.000 1.000 CB 1.218 13 residues pruned to eliminate duplicates 6 1.710 1.814 0.187 0.817 0.800 0.600 CB 0.337 ? U: 25 15.719 1.840 0.652 0.543 0.833 0.458 CB 1.215 13 residues pruned to eliminate duplicates V: 14 24.242 1.882 1.103 0.855 1.000 0.692 CB 1.254 14 residues pruned to eliminate duplicates W: 11 10.043 1.802 0.323 0.883 1.000 0.900 CB 0.963 7 residues pruned to eliminate duplicates X: 15 15.582 1.810 0.488 0.928 1.000 0.929 CB 1.083 Y: 8 14.228 1.942 0.413 0.827 1.000 0.857 CB 1.476 Z: 10 8.484 1.908 0.656 0.706 0.889 0.667 CB 0.836 Z: 11 12.556 1.938 0.715 0.713 0.800 0.300 CB 1.231 10 residues pruned to eliminate duplicates Z: 18 9.697 1.791 0.607 0.364 0.824 0.412 CB 1.148 Z: 20 21.000 1.877 0.530 0.878 1.000 0.842 CB 1.218 17 residues pruned to eliminate duplicates Z: 6 4.258 1.733 0.591 0.449 0.600 0.400 CB 1.212 Z: 7 10.270 1.801 0.736 0.616 1.000 0.667 CB 1.201 Z: 11 14.069 1.880 0.690 0.643 0.900 0.600 CB 1.361 14 residues pruned to eliminate duplicates Z: 15 18.706 1.861 0.523 0.826 1.000 0.714 CB 1.331 14 residues pruned to eliminate duplicates Z: 12 16.457 1.886 0.575 0.887 1.000 0.909 CB 1.204 12 residues pruned to eliminate duplicates Z: 14 19.758 1.918 0.561 0.902 0.923 0.846 CB 1.414 14 residues pruned to eliminate duplicates Z: 26 9.530 1.746 0.644 0.197 0.720 0.440 CB 1.322 27 residues pruned to eliminate duplicates Z: 6 11.153 1.762 1.016 0.675 0.800 0.800 O 1.494 Z: 17 10.715 1.828 0.919 0.543 0.750 0.375 CB 0.976 6 residues pruned to eliminate duplicates Z: 19 13.536 1.805 0.605 0.588 0.944 0.833 CB 1.071 19 residues pruned to eliminate duplicates Z: 6 5.214 1.831 0.844 0.835 1.000 1.000 CB 0.517 Z: 21 32.406 1.997 1.065 0.905 1.000 0.900 CB 1.250 29 residues pruned to eliminate duplicates Z: 10 7.485 1.758 0.283 0.460 0.889 0.556 CB 1.297 Z: 6 5.206 1.525 0.449 0.764 1.000 0.800 CB 0.833 Z: 16 31.515 1.934 0.899 0.857 1.000 0.800 CB 1.633 15 residues pruned to eliminate duplicates Z: 8 12.471 1.826 0.583 0.790 1.000 0.286 CB 1.264 8 residues pruned to eliminate duplicates Z: 25 22.632 1.855 0.739 0.583 0.917 0.625 CB 1.443 24 residues pruned to eliminate duplicates Z: 10 3.500 1.753 0.330 0.266 0.556 0.556 CB 1.177 Z: 10 10.113 1.557 0.653 0.881 0.778 0.444 CB 1.220 Z: 6 2.453 1.716 0.705 0.300 0.400 0.400 O 1.172 Z: 9 3.619 1.629 0.427 0.319 0.625 0.375 CB 1.075 Z: 14 7.025 1.661 0.490 0.309 0.769 0.385 CB 1.266 Z: 6 2.443 1.340 0.813 0.297 0.600 0.400 O 0.940 Z: 8 12.049 1.899 0.545 0.818 1.000 0.857 CB 1.178 Z: 7 11.983 1.941 0.551 0.520 1.000 0.667 CB 1.594 7 residues pruned to eliminate duplicates Z: 14 8.979 1.720 0.597 0.420 0.846 0.692 CB 1.164 Z: 14 22.896 1.845 0.813 0.911 1.000 1.000 CB 1.345 14 residues pruned to eliminate duplicates Z: 11 13.283 1.749 0.756 0.846 1.000 0.800 CB 1.016 8 residues pruned to eliminate duplicates Z: 21 10.360 1.773 0.395 0.403 0.850 0.600 CB 1.220 7 residues pruned to eliminate duplicates Z: 17 31.878 1.975 0.973 0.899 0.938 0.688 CB 1.560 17 residues pruned to eliminate duplicates Z: 16 22.824 1.994 0.773 0.871 0.867 0.733 CB 1.403 16 residues pruned to eliminate duplicates Z: 24 29.163 1.984 0.709 0.855 0.957 0.783 CB 1.384 24 residues pruned to eliminate duplicates Z: 10 17.946 1.949 0.719 0.921 1.000 0.889 CB 1.257 10 residues pruned to eliminate duplicates Z: 10 8.137 1.729 0.555 0.357 0.889 0.333 N 1.325 Z: 11 13.396 1.727 0.509 0.823 0.900 0.800 CB 1.365 Z: 15 8.826 1.681 0.559 0.590 0.857 0.643 CB 0.964 Z: 12 14.059 1.856 1.086 0.843 0.818 0.636 CB 0.997 12 residues pruned to eliminate duplicates Z: 13 13.561 1.778 0.297 0.865 1.000 0.833 CB 1.244 Z: 7 5.250 1.658 0.531 0.355 0.833 0.500 CB 1.185 Z: 15 14.487 1.814 0.614 0.837 0.929 0.571 CB 1.065 Z: 21 19.468 1.723 0.877 0.731 0.850 0.750 CB 1.286 Z: 7 3.785 1.587 0.091 0.548 1.000 0.333 CB 0.851 Z: 19 14.499 1.804 0.942 0.529 0.778 0.500 CB 1.219 19 residues pruned to eliminate duplicates Z: 14 18.111 1.883 0.674 0.857 1.000 0.846 CB 1.174 15 residues pruned to eliminate duplicates Z: 9 5.823 1.610 0.646 0.795 1.000 0.750 CB 0.600 Z: 16 16.204 1.853 0.591 0.815 1.000 0.733 CB 1.080 Z: 10 8.168 1.841 0.331 0.419 0.889 0.556 O 1.360 10 residues pruned to eliminate duplicates Z: 6 4.066 1.778 0.181 0.483 0.800 0.600 CB 1.102 6 1.474 1.697 0.390 0.346 0.600 0.400 CB 0.551 ? Z: 19 19.440 1.947 0.355 0.878 0.944 0.778 CB 1.335 19 residues pruned to eliminate duplicates Z: 14 18.037 1.917 0.679 0.776 0.846 0.769 CB 1.439 14 residues pruned to eliminate duplicates Z: 28 9.339 1.572 0.688 0.457 0.667 0.296 CB 1.062 Z: 18 18.560 1.907 0.506 0.809 0.941 0.706 CB 1.273 18 residues pruned to eliminate duplicates Z: 12 19.693 1.861 0.835 0.865 1.000 0.727 CB 1.273 Z: 22 10.038 1.729 0.567 0.354 0.857 0.429 CB 1.105 Z: 7 5.689 1.992 0.494 0.826 0.833 0.833 CB 0.706 Z: 13 4.972 1.721 0.131 0.263 0.750 0.583 CB 1.290 Z: 13 13.695 1.827 0.487 0.781 1.000 0.667 CB 1.136 11 residues pruned to eliminate duplicates Z: 14 17.111 1.879 0.459 0.898 0.923 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 10 7.046 1.678 0.607 0.830 0.889 0.889 CB 0.737 Z: 14 21.019 1.872 0.865 0.814 1.000 0.769 O 1.270 14 residues pruned to eliminate duplicates Z: 8 15.329 1.952 0.806 0.840 1.000 0.714 CB 1.227 8 residues pruned to eliminate duplicates Z: 6 3.634 1.392 0.640 0.320 0.800 0.200 CB 1.085 Z: 30 19.842 1.887 0.766 0.550 0.793 0.517 CB 1.327 22 residues pruned to eliminate duplicates Z: 6 3.742 1.620 0.017 0.488 0.800 0.600 CB 1.286 Z: 25 18.576 1.844 0.716 0.597 0.833 0.667 CB 1.310 25 residues pruned to eliminate duplicates Z: 10 9.694 1.549 0.590 0.745 0.889 0.444 CB 1.185 Z: 10 11.902 1.713 0.579 0.788 0.889 0.667 CB 1.281 10 residues pruned to eliminate duplicates Z: 23 8.131 1.615 0.454 0.344 0.727 0.273 CB 1.203 Z: 16 16.344 1.785 0.426 0.867 0.933 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 9 6.826 1.679 0.483 0.655 0.750 0.125 CB 1.119 Z: 12 18.357 1.816 0.656 0.851 1.000 0.727 CB 1.362 12 residues pruned to eliminate duplicates Z: 11 7.365 1.723 0.429 0.753 0.800 0.700 CB 0.944 Z: 15 13.523 1.679 0.481 0.840 0.929 0.786 CB 1.169 Z: 14 16.011 1.845 0.763 0.801 0.769 0.692 N 1.364 Z: 8 15.105 1.895 0.770 0.828 1.000 0.429 CB 1.282 8 residues pruned to eliminate duplicates Z: 9 14.602 1.599 1.099 0.817 1.000 0.750 CB 1.168 Z: 7 6.607 1.531 0.650 0.538 0.833 0.500 C 1.235 Z: 6 4.893 1.532 0.598 0.679 0.600 0.600 O 1.264 6 residues pruned to eliminate duplicates Z: 18 7.947 1.907 0.319 0.305 0.706 0.353 CB 1.348 18 residues pruned to eliminate duplicates Z: 10 12.072 1.773 0.754 0.837 1.000 0.667 CB 0.968 10 residues pruned to eliminate duplicates Z: 9 11.312 1.761 0.875 0.698 0.875 0.750 CB 1.155 Z: 20 20.347 1.883 0.958 0.880 0.842 0.684 CB 1.089 20 residues pruned to eliminate duplicates Z: 8 4.916 1.691 0.259 0.347 1.000 0.714 CB 1.030 Z: 14 12.662 1.920 0.573 0.412 0.846 0.538 CB 1.507 16 residues pruned to eliminate duplicates Z: 14 15.145 1.854 0.621 0.894 1.000 0.923 CB 1.002 11 residues pruned to eliminate duplicates Z: 9 6.409 1.708 0.479 0.397 0.750 0.375 CB 1.334 Z: 8 2.883 1.554 0.404 0.319 0.571 0.429 N 1.068 Z: 9 13.116 1.872 0.990 0.730 0.750 0.250 CB 1.350 9 residues pruned to eliminate duplicates Z: 16 8.044 1.688 0.722 0.812 0.667 0.533 CB 0.816 16 residues pruned to eliminate duplicates Z: 13 3.870 1.471 0.263 0.361 0.750 0.417 CB 0.931 Z: 28 15.549 1.771 0.489 0.546 0.889 0.519 CB 1.221 6 residues pruned to eliminate duplicates Z: 15 16.586 1.870 0.470 0.856 1.000 0.857 CB 1.190 15 residues pruned to eliminate duplicates Z: 20 27.609 1.937 0.740 0.889 1.000 0.737 CB 1.353 21 residues pruned to eliminate duplicates Z: 39 16.775 1.885 0.429 0.463 0.842 0.553 CB 1.246 42 residues pruned to eliminate duplicates Z: 6 5.745 1.559 0.147 0.755 1.000 0.800 O 1.145 Z: 13 16.797 1.757 0.557 0.896 1.000 0.833 CB 1.269 13 residues pruned to eliminate duplicates Z: 8 6.950 1.472 1.105 0.371 1.000 0.286 CB 0.973 Z: 19 26.300 1.941 0.762 0.848 0.889 0.667 CB 1.513 19 residues pruned to eliminate duplicates Z: 14 18.495 1.831 0.674 0.882 1.000 0.615 CB 1.212 13 residues pruned to eliminate duplicates Z: 22 15.106 1.946 0.528 0.446 0.857 0.571 CB 1.367 21 residues pruned to eliminate duplicates Z: 18 8.159 1.646 0.312 0.515 0.706 0.412 CB 1.279 18 residues pruned to eliminate duplicates Z: 10 15.698 1.757 0.599 0.872 1.000 1.000 O 1.357 8 residues pruned to eliminate duplicates Z: 16 16.943 1.740 0.534 0.892 1.000 0.867 CB 1.178 16 residues pruned to eliminate duplicates Z: 10 8.455 1.661 0.481 0.513 0.778 0.556 CB 1.453 10 residues pruned to eliminate duplicates Z: 14 17.856 1.859 0.514 0.922 1.000 0.846 CB 1.238 14 residues pruned to eliminate duplicates Z: 6 5.248 1.704 0.258 0.687 0.800 0.400 CB 1.153 Z: 15 15.099 1.835 0.937 0.445 0.786 0.571 CB 1.529 22 residues pruned to eliminate duplicates Z: 19 7.272 1.766 0.373 0.325 0.722 0.444 CB 1.187 19 residues pruned to eliminate duplicates Z: 17 6.053 1.608 0.154 0.352 0.812 0.250 CB 1.179 Z: 13 9.251 1.927 0.792 0.434 0.750 0.333 CB 1.105 13 residues pruned to eliminate duplicates Z: 17 21.087 1.962 0.645 0.791 0.938 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 6 2.658 1.659 0.598 0.572 0.800 0.200 CB 0.523 Z: 14 12.192 1.608 0.534 0.810 0.846 0.538 CB 1.237 10 residues pruned to eliminate duplicates Z: 6 9.521 1.726 0.706 0.723 1.000 0.600 CB 1.183 6 residues pruned to eliminate duplicates Z: 8 3.650 1.739 0.402 0.200 0.571 0.429 O 1.415 6 residues pruned to eliminate duplicates Z: 18 11.095 1.688 0.357 0.612 0.941 0.588 CB 1.122 19 residues pruned to eliminate duplicates Z: 8 4.940 1.402 0.378 0.756 0.714 0.571 CB 1.077 Z: 11 8.425 1.743 0.381 0.505 0.800 0.500 CB 1.375 Z: 12 5.379 1.636 0.485 0.192 0.818 0.455 N 1.180 Z: 6 6.977 1.856 0.345 0.807 0.800 0.600 CB 1.196 12 residues pruned to eliminate duplicates 7 1.858 1.384 0.265 0.244 0.667 0.333 CB 0.873 ? Z: 6 2.819 1.716 0.063 0.304 0.600 0.600 O 1.433 Z: 9 5.123 1.603 0.405 0.294 0.750 0.500 N 1.350 Z: 11 12.180 1.710 0.475 0.861 0.900 0.900 O 1.246 11 residues pruned to eliminate duplicates Z: 15 14.178 1.849 0.818 0.450 0.857 0.571 CB 1.383 9 residues pruned to eliminate duplicates Z: 15 14.858 1.711 0.891 0.788 0.857 0.429 CB 1.112 15 residues pruned to eliminate duplicates Z: 15 19.495 1.832 0.696 0.908 1.000 0.643 CB 1.191 15 residues pruned to eliminate duplicates Z: 14 22.083 1.882 0.938 0.893 0.923 0.769 CB 1.306 14 residues pruned to eliminate duplicates Z: 24 12.663 1.925 0.633 0.354 0.826 0.565 CB 1.190 8 residues pruned to eliminate duplicates 6 1.691 1.473 1.051 0.405 0.800 0.200 CB 0.345 ? Z: 22 15.840 1.809 0.812 0.689 0.810 0.333 CB 1.095 22 residues pruned to eliminate duplicates Z: 9 5.195 1.692 0.335 0.583 0.750 0.375 CB 1.002 Z: 6 11.713 1.939 0.453 0.740 1.000 1.000 N 1.499 6 residues pruned to eliminate duplicates Z: 9 12.231 1.575 0.821 0.828 1.000 0.625 N 1.135 Z: 12 3.398 1.675 -0.180 0.245 0.909 0.727 CB 1.102 10 residues pruned to eliminate duplicates Z: 25 17.751 1.875 0.772 0.648 0.875 0.458 CB 1.085 28 residues pruned to eliminate duplicates Z: 15 24.097 1.923 1.064 0.812 0.857 0.857 CB 1.443 15 residues pruned to eliminate duplicates Z: 12 17.468 1.904 0.810 0.911 1.000 0.636 CB 1.084 12 residues pruned to eliminate duplicates Z: 9 5.169 1.800 0.428 0.252 0.750 0.250 CB 1.260 Z: 8 6.662 1.777 0.613 0.468 0.857 0.429 CB 1.058 Z: 15 7.613 1.829 0.243 0.587 0.714 0.429 CB 1.153 Z: 12 8.694 1.775 1.122 0.276 0.818 0.364 CB 1.096 13 residues pruned to eliminate duplicates Z: 17 16.317 1.828 0.562 0.839 0.812 0.500 N 1.314 14 residues pruned to eliminate duplicates Z: 30 9.341 1.720 0.660 0.299 0.724 0.483 CB 1.049 31 residues pruned to eliminate duplicates Z: 10 5.261 1.854 0.402 0.374 0.778 0.333 CB 0.993 10 residues pruned to eliminate duplicates Z: 9 5.199 1.669 0.460 0.328 0.750 0.375 CB 1.215 9 residues pruned to eliminate duplicates Z: 9 7.103 1.705 0.578 0.708 0.750 0.625 CB 1.030 Z: 10 20.567 2.004 0.897 0.626 1.000 0.778 CB 1.602 10 residues pruned to eliminate duplicates Z: 9 5.539 1.613 0.492 0.656 0.875 0.750 CB 0.804 Z: 6 8.479 1.705 0.132 0.860 1.000 1.000 CB 1.446 Z: 7 3.006 1.509 0.580 0.250 0.500 0.333 O 1.373 Z: 10 15.423 1.826 0.755 0.853 0.778 0.222 CB 1.525 9 residues pruned to eliminate duplicates Z: 9 7.911 1.682 0.732 0.794 1.000 0.750 CB 0.742 9 residues pruned to eliminate duplicates Z: 14 15.131 1.810 0.738 0.889 0.923 0.692 CB 1.041 14 residues pruned to eliminate duplicates Z: 14 5.571 1.661 0.217 0.408 0.692 0.385 CB 1.216 14 residues pruned to eliminate duplicates Z: 13 13.274 1.749 0.783 0.866 0.917 0.750 CB 0.981 7 residues pruned to eliminate duplicates Z: 17 13.813 1.708 0.519 0.802 0.875 0.562 CB 1.168 15 residues pruned to eliminate duplicates Z: 15 23.011 1.943 1.056 0.857 1.000 0.357 CB 1.134 15 residues pruned to eliminate duplicates Z: 10 9.134 1.712 0.568 0.863 0.778 0.778 CB 1.070 Z: 15 17.933 1.950 0.760 0.853 0.857 0.714 CB 1.204 15 residues pruned to eliminate duplicates Z: 7 6.830 1.690 0.356 0.730 1.000 0.833 CB 0.989 Z: 7 8.253 1.759 1.110 0.668 0.833 0.667 CB 0.933 Z: 18 4.210 1.482 0.346 0.294 0.706 0.176 CB 0.914 Z: 8 5.710 1.616 0.506 0.538 0.857 0.571 CB 0.997 8 residues pruned to eliminate duplicates Z: 8 4.559 1.547 0.198 0.568 0.857 0.429 O 1.016 Z: 15 14.668 1.707 0.665 0.772 0.929 0.571 CB 1.168 15 residues pruned to eliminate duplicates Z: 14 19.782 1.911 0.667 0.913 0.923 0.692 CB 1.321 14 residues pruned to eliminate duplicates Z: 8 10.048 1.868 0.247 0.907 1.000 1.000 CB 1.159 9 residues pruned to eliminate duplicates Z: 8 4.103 1.759 0.389 0.354 0.714 0.429 CB 1.041 Z: 7 6.812 1.829 0.605 0.303 0.833 0.667 CB 1.414 7 residues pruned to eliminate duplicates Z: 7 6.470 1.512 0.252 0.821 0.833 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 8 6.821 1.550 0.391 0.437 1.000 0.429 O 1.277 Z: 19 7.554 1.680 0.308 0.322 0.833 0.444 CB 1.183 14 residues pruned to eliminate duplicates Z: 10 7.373 1.691 0.439 0.819 0.889 0.778 CB 0.862 10 residues pruned to eliminate duplicates Z: 10 6.357 1.680 0.350 0.514 0.778 0.556 CB 1.185 Z: 11 10.486 1.709 0.506 0.588 0.900 0.800 CB 1.316 10 residues pruned to eliminate duplicates Z: 6 3.150 1.765 0.285 0.287 0.600 0.400 O 1.315 Z: 12 7.618 1.701 0.208 0.862 1.000 0.636 CB 0.820 12 residues pruned to eliminate duplicates Z: 9 7.523 1.673 0.662 0.617 0.750 0.500 N 1.142 9 residues pruned to eliminate duplicates Z: 6 3.371 1.447 0.348 0.340 0.800 0.600 O 1.150 Z: 6 4.942 1.547 0.345 0.732 0.800 0.600 CB 1.078 Z: 7 4.167 1.858 0.241 0.160 0.833 0.333 O 1.342 Z: 14 12.480 1.722 0.738 0.883 1.000 0.923 CB 0.836 14 residues pruned to eliminate duplicates Z: 8 8.687 1.583 0.585 0.784 1.000 0.857 CB 1.019 Z: 14 22.822 1.941 0.734 0.868 1.000 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 8 9.447 1.745 0.903 0.732 0.571 0.429 O 1.528 8 residues pruned to eliminate duplicates Z: 9 10.810 1.636 0.396 0.859 1.000 0.875 CB 1.232 6 residues pruned to eliminate duplicates Z: 7 3.361 1.353 0.609 0.236 0.833 0.333 C 1.027 7 1.155 1.713 -0.141 0.403 0.667 0.167 CB 0.532 ? Z: 15 21.198 1.860 0.795 0.911 1.000 1.000 CB 1.203 15 residues pruned to eliminate duplicates Z: 8 10.295 1.613 0.588 0.873 1.000 0.857 N 1.107 8 residues pruned to eliminate duplicates Z: 13 15.764 1.673 0.619 0.788 1.000 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 6 4.244 1.883 0.239 0.350 0.600 0.400 CB 1.594 6 residues pruned to eliminate duplicates Z: 15 18.932 1.861 0.541 0.864 1.000 0.857 CB 1.294 15 residues pruned to eliminate duplicates Z: 9 13.484 1.843 0.583 0.814 1.000 0.750 CB 1.244 9 residues pruned to eliminate duplicates Z: 8 2.328 1.398 0.473 0.103 0.571 0.143 CB 1.240 8 residues pruned to eliminate duplicates Z: 13 10.294 1.727 0.725 0.433 0.750 0.583 O 1.426 13 residues pruned to eliminate duplicates Z: 14 10.729 1.587 0.683 0.691 0.769 0.615 CB 1.216 14 residues pruned to eliminate duplicates Z: 20 25.704 1.917 0.863 0.855 0.947 0.737 CB 1.287 20 residues pruned to eliminate duplicates Z: 17 13.417 1.613 0.657 0.870 1.000 0.438 CB 0.916 17 residues pruned to eliminate duplicates Z: 9 7.872 1.690 0.302 0.780 1.000 0.625 O 0.988 9 residues pruned to eliminate duplicates Z: 18 13.593 1.902 0.582 0.516 0.824 0.529 CB 1.309 18 residues pruned to eliminate duplicates Z: 6 2.801 1.499 0.409 0.479 0.600 0.400 CB 1.010 Z: 8 8.162 1.671 0.487 0.639 0.857 0.571 CB 1.271 Z: 11 10.688 1.686 0.398 0.851 0.900 0.800 CB 1.179 Z: 7 7.548 1.660 0.137 0.817 1.000 0.667 CB 1.239 6 residues pruned to eliminate duplicates Z: 10 17.286 1.923 0.728 0.624 1.000 0.667 CB 1.542 10 residues pruned to eliminate duplicates Z: 8 8.680 1.908 0.208 0.435 1.000 0.286 O 1.522 6 residues pruned to eliminate duplicates Z: 11 5.576 1.678 0.372 0.383 0.600 0.600 O 1.445 Z: 15 4.032 1.571 0.447 0.207 0.857 0.286 CB 0.783 Z: 11 20.165 1.916 0.651 0.860 1.000 0.700 CB 1.482 12 residues pruned to eliminate duplicates 8 1.428 1.775 0.618 0.071 0.571 0.429 CB 0.575 ? Z: 9 7.077 1.723 0.479 0.722 0.875 0.625 CB 0.918 9 residues pruned to eliminate duplicates Z: 13 5.746 1.553 0.278 0.770 1.000 0.750 CB 0.658 Z: 8 12.162 1.750 0.520 0.831 1.000 0.857 CB 1.298 Z: 28 16.642 1.758 0.658 0.598 0.815 0.667 CB 1.229 28 residues pruned to eliminate duplicates Z: 12 13.768 1.662 0.729 0.868 0.909 0.818 CB 1.162 11 residues pruned to eliminate duplicates Z: 14 21.232 1.845 0.950 0.871 1.000 0.846 CB 1.194 14 residues pruned to eliminate duplicates Z: 7 8.191 1.628 0.385 0.834 1.000 0.833 CB 1.111 Z: 12 10.287 1.976 0.772 0.771 0.909 0.455 CB 0.767 12 residues pruned to eliminate duplicates Z: 10 11.953 1.595 0.615 0.780 0.889 0.667 CB 1.359 10 residues pruned to eliminate duplicates Z: 12 3.530 1.557 0.484 0.256 0.636 0.182 CB 0.958 Z: 15 7.445 1.626 0.309 0.422 0.857 0.357 CB 1.182 Z: 6 3.343 1.499 0.580 0.419 0.800 0.400 N 0.858 Z: 8 14.952 1.891 0.581 0.811 1.000 0.714 CB 1.442 8 residues pruned to eliminate duplicates Z: 6 2.157 1.747 0.317 0.300 0.600 0.600 CB 0.874 6 residues pruned to eliminate duplicates Z: 6 3.035 1.553 0.426 0.472 0.600 0.600 CB 1.051 Z: 11 7.322 1.517 0.291 0.512 0.900 0.800 CB 1.298 Z: 8 5.722 1.467 0.716 0.360 0.857 0.571 N 1.166 Z: 8 4.763 1.733 0.816 0.262 0.571 0.429 N 1.314 Z: 8 2.710 1.232 0.257 0.300 0.714 0.714 N 1.156 Z: 15 14.606 1.732 0.538 0.827 0.929 0.714 CB 1.190 15 residues pruned to eliminate duplicates Z: 19 5.911 1.687 0.315 0.350 0.778 0.222 CB 0.950 19 residues pruned to eliminate duplicates Z: 11 6.597 1.602 0.546 0.365 0.800 0.700 CB 1.217 Z: 6 6.254 1.595 0.591 0.729 0.800 0.400 CB 1.121 6 residues pruned to eliminate duplicates Z: 12 8.438 1.507 0.592 0.785 0.818 0.364 CB 1.009 Z: 12 6.251 1.628 0.846 0.463 0.545 0.091 N 1.193 Z: 9 3.862 1.398 0.260 0.409 0.750 0.625 N 1.138 7 1.898 1.371 0.422 0.354 0.833 0.500 N 0.559 ? Z: 7 2.926 1.464 0.397 0.342 1.000 0.667 CB 0.694 Z: 13 9.768 1.514 0.503 0.847 0.833 0.500 CB 1.104 9 residues pruned to eliminate duplicates Z: 17 8.837 1.694 0.743 0.349 0.938 0.438 CB 0.940 Z: 9 17.417 1.901 0.904 0.879 0.875 0.500 CB 1.410 9 residues pruned to eliminate duplicates Z: 7 2.310 1.324 0.401 0.263 0.667 0.500 CB 1.000 Z: 9 8.567 1.738 0.212 0.486 1.000 0.750 CB 1.459 7 residues pruned to eliminate duplicates Z: 14 13.501 1.686 0.433 0.818 0.923 0.769 CB 1.274 12 residues pruned to eliminate duplicates Z: 7 3.458 1.660 0.319 0.370 0.667 0.500 N 1.111 Z: 12 9.766 1.531 0.979 0.863 0.818 0.455 CB 0.872 12 residues pruned to eliminate duplicates Z: 14 12.774 1.578 0.743 0.876 0.923 0.692 CB 1.014 16 residues pruned to eliminate duplicates Z: 12 7.482 1.620 0.511 0.848 0.909 0.727 CB 0.752 19 residues pruned to eliminate duplicates Z: 13 16.999 1.701 0.864 0.860 1.000 0.667 CB 1.139 13 residues pruned to eliminate duplicates Z: 11 4.648 1.493 0.398 0.361 0.800 0.300 CB 1.021 Z: 14 17.431 1.646 0.894 0.930 1.000 1.000 CB 1.084 12 residues pruned to eliminate duplicates Z: 35 11.958 1.704 0.589 0.331 0.794 0.353 CB 1.147 17 residues pruned to eliminate duplicates Z: 14 7.869 1.651 0.479 0.503 0.692 0.462 CB 1.287 14 residues pruned to eliminate duplicates Z: 8 17.071 1.960 0.685 0.871 1.000 1.000 O 1.425 8 residues pruned to eliminate duplicates Z: 9 5.374 1.656 0.733 0.659 0.875 0.625 CB 0.653 Z: 9 12.991 1.694 0.532 0.902 1.000 0.875 CB 1.263 8 residues pruned to eliminate duplicates Z: 24 16.259 1.819 0.564 0.592 0.913 0.696 CB 1.195 25 residues pruned to eliminate duplicates Z: 10 16.600 1.823 0.773 0.737 1.000 0.556 CB 1.384 10 residues pruned to eliminate duplicates Z: 7 3.599 1.599 0.235 0.402 0.833 0.667 CB 0.989 Z: 13 11.348 1.649 0.700 0.832 0.917 0.583 CB 0.957 22 residues pruned to eliminate duplicates Z: 9 5.179 1.546 0.780 0.458 0.625 0.375 CB 1.111 Z: 15 16.990 1.748 0.938 0.768 0.929 0.643 CB 1.139 15 residues pruned to eliminate duplicates Z: 14 5.049 1.670 0.473 0.154 0.692 0.462 N 1.258 10 residues pruned to eliminate duplicates Z: 19 8.699 1.493 0.597 0.410 0.889 0.556 CB 1.063 6 residues pruned to eliminate duplicates Z: 6 5.268 1.639 0.275 0.427 1.000 0.400 N 1.217 Z: 6 5.837 1.470 1.239 0.316 0.800 0.600 CB 1.215 Z: 7 3.329 1.640 -0.057 0.331 0.833 0.500 N 1.269 Z: 20 7.564 1.664 0.512 0.221 0.737 0.368 CB 1.298 Z: 8 5.996 1.698 0.484 0.568 0.714 0.571 CB 1.180 8 residues pruned to eliminate duplicates Z: 7 2.208 1.341 0.316 0.260 0.667 0.333 CB 1.008 Z: 8 3.367 1.616 0.798 0.176 0.714 0.429 CB 0.907 8 residues pruned to eliminate duplicates Z: 7 3.000 1.392 0.082 0.355 0.833 0.500 N 1.142 Z: 15 22.649 2.003 0.678 0.847 1.000 0.714 CB 1.337 15 residues pruned to eliminate duplicates Z: 8 5.130 1.845 0.101 0.484 0.714 0.714 CB 1.357 8 residues pruned to eliminate duplicates Z: 7 4.445 1.590 1.014 0.246 0.667 0.333 N 1.140 Z: 9 4.806 1.497 0.188 0.662 0.875 0.625 CB 0.940 9 residues pruned to eliminate duplicates Z: 14 3.238 1.455 0.018 0.291 0.692 0.308 CB 1.108 Z: 28 14.162 1.696 0.491 0.471 0.852 0.481 CB 1.303 23 residues pruned to eliminate duplicates Z: 16 24.446 1.983 0.832 0.907 0.867 0.667 CB 1.425 16 residues pruned to eliminate duplicates Z: 8 4.629 1.455 1.011 0.234 0.857 0.714 CB 0.951 Z: 9 4.392 1.601 0.616 0.522 0.750 0.625 CB 0.783 Z: 6 2.247 1.184 0.567 0.682 0.600 0.600 O 0.764 Z: 6 2.554 1.283 0.520 0.372 1.000 0.400 CB 0.672 Z: 18 15.879 1.762 0.737 0.881 0.882 0.588 CB 1.033 18 residues pruned to eliminate duplicates Z: 11 4.561 1.418 0.648 0.252 0.700 0.300 O 1.172 Z: 18 12.939 1.860 0.614 0.712 0.824 0.412 CB 1.047 18 residues pruned to eliminate duplicates Z: 7 2.259 1.311 0.437 0.519 0.667 0.333 CB 0.720 Z: 11 5.424 1.728 -0.125 0.811 0.900 0.600 CB 0.961 10 residues pruned to eliminate duplicates Z: 10 4.855 1.864 0.077 0.886 0.889 0.778 CB 0.654 6 residues pruned to eliminate duplicates Z: 7 3.065 1.404 0.200 0.400 0.833 0.333 CB 0.990 Z: 16 12.332 1.624 0.866 0.765 0.867 0.600 CB 0.958 16 residues pruned to eliminate duplicates Z: 7 6.831 1.805 0.486 0.671 0.667 0.500 CB 1.331 7 residues pruned to eliminate duplicates Z: 17 6.459 1.415 0.471 0.294 0.938 0.375 N 1.043 Z: 9 6.282 1.609 0.183 0.642 0.875 0.625 CB 1.168 10 residues pruned to eliminate duplicates Z: 13 7.186 1.587 0.548 0.419 0.833 0.417 CB 1.102 13 residues pruned to eliminate duplicates Z: 10 5.738 1.697 0.266 0.870 1.000 1.000 CB 0.649 15 residues pruned to eliminate duplicates Z: 8 4.751 1.911 0.219 0.722 0.857 0.571 CB 0.736 Z: 8 9.205 1.767 0.208 0.614 1.000 0.571 CB 1.463 5 residues pruned to eliminate duplicates Z: 8 8.543 1.817 0.239 0.865 1.000 0.857 CB 1.051 8 residues pruned to eliminate duplicates Z: 7 2.120 1.525 0.141 0.100 0.833 0.500 N 0.994 Z: 28 12.374 1.628 0.650 0.467 0.778 0.481 CB 1.178 25 residues pruned to eliminate duplicates Z: 16 24.297 1.903 0.762 0.904 1.000 0.800 CB 1.332 27 residues pruned to eliminate duplicates Z: 9 4.751 1.784 0.444 0.887 0.875 0.875 CB 0.537 8 residues pruned to eliminate duplicates Z: 8 3.947 1.391 0.842 0.376 0.714 0.429 N 0.931 Z: 7 6.150 1.972 0.372 0.719 0.833 0.667 CB 0.913 14 residues pruned to eliminate duplicates Z: 7 3.510 1.663 0.427 0.779 0.833 0.833 CB 0.567 Z: 11 5.208 1.816 0.106 0.413 0.900 0.500 CB 0.998 11 residues pruned to eliminate duplicates Z: 12 8.396 1.846 0.630 0.383 0.909 0.636 CB 1.048 12 residues pruned to eliminate duplicates Z: 16 23.155 1.941 0.707 0.881 1.000 0.867 CB 1.307 16 residues pruned to eliminate duplicates Z: 12 3.610 1.497 0.115 0.361 0.727 0.364 CB 1.041 Z: 7 3.312 1.781 0.335 0.231 0.667 0.500 CB 1.167 Z: 6 6.042 1.588 0.628 0.622 0.800 0.600 O 1.164 6 residues pruned to eliminate duplicates Z: 10 14.411 1.667 0.446 0.882 1.000 0.778 O 1.442 9 residues pruned to eliminate duplicates Z: 7 6.286 1.495 0.191 0.823 1.000 1.000 N 1.090 7 residues pruned to eliminate duplicates Z: 15 9.177 1.761 0.403 0.298 0.857 0.429 CB 1.452 15 residues pruned to eliminate duplicates Z: 6 6.642 1.559 0.208 0.777 1.000 0.600 CB 1.234 Z: 20 15.631 1.787 0.602 0.721 0.895 0.842 CB 1.146 20 residues pruned to eliminate duplicates Z: 6 11.627 1.784 0.858 0.692 1.000 0.800 CB 1.316 Z: 16 17.266 1.877 0.840 0.810 0.933 0.667 CB 1.056 17 residues pruned to eliminate duplicates Z: 6 4.828 1.599 0.301 0.808 1.000 1.000 CB 0.793 Z: 7 5.108 1.669 0.295 0.525 1.000 0.500 CB 0.941 Z: 6 2.340 1.211 0.298 0.454 0.800 0.600 CB 0.872 Z: 7 5.971 1.439 0.485 0.857 0.667 0.333 N 1.261 Z: 32 19.588 1.910 0.481 0.645 0.903 0.806 CB 1.202 32 residues pruned to eliminate duplicates Z: 7 5.576 1.536 0.335 0.640 1.000 0.667 CB 0.973 Z: 6 7.730 1.781 0.433 0.654 0.800 0.800 N 1.466 Z: 8 7.959 1.611 0.306 0.739 1.000 0.857 CB 1.154 Z: 14 9.797 1.647 0.395 0.528 0.923 0.769 O 1.247 40 residues pruned to eliminate duplicates Z: 7 2.481 1.377 0.209 0.482 0.833 0.500 CB 0.744 Z: 14 7.956 1.493 0.358 0.789 1.000 0.692 CB 0.844 13 residues pruned to eliminate duplicates Z: 9 14.152 1.743 0.613 0.837 1.000 1.000 CB 1.331 11 residues pruned to eliminate duplicates Z: 13 13.459 1.678 0.598 0.773 0.917 0.583 CB 1.241 13 residues pruned to eliminate duplicates Z: 10 3.088 1.594 0.164 0.368 0.778 0.333 CB 0.822 Z: 15 2.698 1.618 0.385 0.202 0.643 0.286 CB 0.713 Z: 10 3.167 1.550 0.558 0.141 0.556 0.111 CB 1.227 Z: 15 6.142 1.531 0.601 0.353 0.714 0.357 N 1.099 Z: 6 9.863 1.607 0.610 0.840 1.000 0.800 N 1.272 6 residues pruned to eliminate duplicates Z: 11 4.965 1.659 0.029 0.465 0.800 0.400 CB 1.191 11 residues pruned to eliminate duplicates Z: 6 2.145 1.477 0.554 0.410 0.800 0.800 CB 0.574 Z: 10 6.268 1.857 0.204 0.771 1.000 1.000 CB 0.735 4 residues pruned to eliminate duplicates Z: 9 9.513 1.704 0.588 0.817 0.875 0.375 CB 1.079 9 residues pruned to eliminate duplicates Z: 11 8.042 1.633 0.679 0.737 0.800 0.400 CB 0.938 9 residues pruned to eliminate duplicates Z: 13 10.711 1.548 0.518 0.826 0.917 0.667 CB 1.083 9 residues pruned to eliminate duplicates Z: 18 12.769 1.744 0.502 0.468 0.882 0.353 CB 1.383 18 residues pruned to eliminate duplicates Z: 11 10.043 1.572 0.542 0.810 0.900 0.700 CB 1.111 12 residues pruned to eliminate duplicates Z: 12 8.171 1.609 0.355 0.734 0.727 0.455 CB 1.259 12 residues pruned to eliminate duplicates Z: 21 15.971 1.769 0.551 0.623 0.900 0.600 CB 1.288 21 residues pruned to eliminate duplicates Z: 10 5.163 1.570 0.383 0.770 0.778 0.333 CB 0.802 10 residues pruned to eliminate duplicates Z: 6 2.970 1.578 0.321 0.300 0.600 0.400 CB 1.328 Z: 13 15.331 1.889 0.686 0.861 0.750 0.750 CB 1.362 13 residues pruned to eliminate duplicates Z: 16 7.873 1.871 0.272 0.409 0.733 0.533 CB 1.281 21 residues pruned to eliminate duplicates Z: 8 4.028 1.747 -0.021 0.416 0.714 0.286 CB 1.361 8 residues pruned to eliminate duplicates Z: 7 4.360 1.725 0.230 0.347 0.833 0.333 N 1.188 Z: 7 9.370 1.826 0.471 0.523 1.000 0.667 O 1.392 Z: 7 5.457 1.568 0.305 0.592 1.000 0.500 CB 0.997 Z: 20 6.504 1.587 0.267 0.355 0.684 0.474 O 1.268 20 residues pruned to eliminate duplicates Z: 6 7.995 1.590 0.386 0.835 1.000 0.800 CB 1.215 8 residues pruned to eliminate duplicates Z: 8 12.790 1.798 0.901 0.846 1.000 0.714 CB 1.051 8 residues pruned to eliminate duplicates Z: 6 4.286 1.697 0.742 0.578 0.800 0.600 CB 0.752 Z: 9 3.044 1.615 0.824 0.195 0.500 0.375 CB 1.052 Z: 8 2.502 1.271 0.159 0.217 0.857 0.714 CB 1.044 Z: 9 6.689 1.741 0.560 0.736 0.875 0.625 CB 0.806 9 residues pruned to eliminate duplicates Z: 20 10.480 1.681 0.577 0.306 0.895 0.421 O 1.258 20 residues pruned to eliminate duplicates Z: 15 18.016 1.832 0.610 0.884 0.929 0.786 CB 1.270 15 residues pruned to eliminate duplicates Z: 6 4.085 1.607 -0.069 0.618 0.800 0.600 CB 1.365 Z: 7 4.484 1.691 0.385 0.611 0.667 0.167 CB 1.055 7 residues pruned to eliminate duplicates Z: 6 3.289 1.282 0.279 0.637 1.000 0.800 N 0.789 Z: 6 2.814 1.427 0.044 0.422 0.800 0.600 C 1.146 Z: 7 2.139 1.705 -0.341 0.326 0.833 0.500 CB 1.131 Z: 6 2.502 1.554 0.415 0.254 0.800 0.600 CB 0.843 Z: 6 11.626 1.966 0.457 0.791 1.000 1.000 CB 1.406 10 residues pruned to eliminate duplicates Z: 6 2.786 1.761 0.990 0.758 1.000 0.600 CB 0.283 Z: 6 11.924 1.834 0.740 0.802 1.000 0.600 CB 1.283 Z: 8 2.770 1.313 0.378 0.324 0.714 0.571 N 0.983 Z: 11 13.437 1.592 0.858 0.899 1.000 0.700 CB 1.027 Z: 13 13.861 1.855 0.321 0.876 1.000 0.917 CB 1.187 13 residues pruned to eliminate duplicates Z: 11 8.044 1.646 0.564 0.491 0.800 0.500 CB 1.247 12 residues pruned to eliminate duplicates Z: 8 2.866 1.362 0.436 0.362 0.571 0.286 C 1.123 Z: 10 11.713 1.633 0.477 0.825 1.000 0.667 CB 1.222 10 residues pruned to eliminate duplicates Z: 9 6.751 1.281 0.921 0.662 0.875 0.500 N 0.953 Z: 9 7.989 1.613 0.306 0.766 1.000 0.875 O 1.059 9 residues pruned to eliminate duplicates Z: 6 4.394 1.630 -0.046 0.630 1.000 1.000 CB 1.118 Z: 12 3.100 1.479 0.573 0.222 0.636 0.455 CB 0.874 Z: 11 5.231 1.330 0.739 0.378 0.800 0.300 CB 1.018 9 residues pruned to eliminate duplicates Z: 7 4.792 1.765 0.635 0.242 0.833 0.667 CB 1.095 7 residues pruned to eliminate duplicates Z: 10 5.501 1.668 0.164 0.840 0.889 0.667 CB 0.793 10 residues pruned to eliminate duplicates Z: 8 3.804 1.671 0.567 0.336 0.714 0.429 CB 0.919 Z: 28 16.723 1.884 0.558 0.508 0.889 0.667 CB 1.224 28 residues pruned to eliminate duplicates Z: 6 2.587 1.378 0.173 0.486 0.600 0.400 CB 1.210 Z: 14 10.614 1.477 0.584 0.859 1.000 0.692 CB 0.925 14 residues pruned to eliminate duplicates Z: 9 7.627 1.793 0.416 0.616 0.625 0.500 CB 1.523 9 residues pruned to eliminate duplicates Z: 18 10.242 1.830 0.678 0.493 0.765 0.471 CB 1.065 18 residues pruned to eliminate duplicates Z: 15 28.513 2.048 0.783 0.922 1.000 0.929 CB 1.468 15 residues pruned to eliminate duplicates Z: 18 9.678 1.569 0.649 0.542 0.882 0.529 CB 0.987 18 residues pruned to eliminate duplicates Z: 12 8.531 1.696 0.643 0.574 0.727 0.636 CB 1.182 12 residues pruned to eliminate duplicates Z: 12 11.809 1.559 0.765 0.911 0.909 0.909 CB 1.008 Z: 6 4.452 1.578 0.303 0.468 1.000 0.600 CB 1.000 Z: 11 9.260 1.752 0.680 0.373 0.900 0.300 CB 1.266 11 residues pruned to eliminate duplicates Z: 10 12.285 1.577 0.814 0.846 1.000 0.667 CB 1.063 13 residues pruned to eliminate duplicates Z: 13 19.583 1.713 0.999 0.865 1.000 0.500 CB 1.209 12 residues pruned to eliminate duplicates Z: 9 5.721 1.365 0.505 0.794 1.000 0.625 CB 0.761 Z: 7 8.447 1.727 0.549 0.677 1.000 0.833 CB 1.094 8 residues pruned to eliminate duplicates 7 1.789 1.376 0.296 0.498 0.667 0.333 CB 0.615 ? Z: 12 8.975 1.626 0.471 0.551 0.909 0.455 CB 1.183 8 residues pruned to eliminate duplicates Z: 11 9.747 1.784 0.522 0.509 0.800 0.500 CB 1.407 Z: 8 5.985 1.405 0.456 0.648 0.857 0.714 N 1.124 8 residues pruned to eliminate duplicates Z: 10 7.380 1.591 0.293 0.861 1.000 0.778 CB 0.879 10 residues pruned to eliminate duplicates Z: 13 7.693 1.595 0.776 0.342 0.833 0.500 CB 1.117 12 residues pruned to eliminate duplicates 7 1.963 1.358 0.052 0.400 0.667 0.333 CB 0.935 ? 7 1.468 1.471 -0.167 0.250 0.667 0.500 CB 0.978 ? Z: 10 5.474 1.487 0.394 0.858 0.778 0.556 CB 0.833 10 residues pruned to eliminate duplicates Z: 8 3.573 1.513 0.218 0.595 0.857 0.714 CB 0.780 8 residues pruned to eliminate duplicates Z: 17 16.443 1.639 0.810 0.823 1.000 0.812 CB 1.047 17 residues pruned to eliminate duplicates Z: 6 6.175 1.554 0.615 0.565 1.000 0.800 N 1.033 Z: 6 3.365 1.687 0.448 0.872 1.000 1.000 CB 0.449 6 residues pruned to eliminate duplicates Z: 6 5.956 1.557 1.000 0.537 1.000 0.400 CB 0.825 Z: 9 5.961 1.378 0.425 0.822 0.875 0.750 CB 0.928 Z: 25 15.533 1.793 0.666 0.474 0.750 0.417 CB 1.453 25 residues pruned to eliminate duplicates 6 1.902 1.516 0.441 0.100 0.600 0.400 CB 1.081 ? Z: 9 2.238 1.505 -0.048 0.331 0.750 0.250 CB 0.886 Z: 7 3.625 1.377 0.480 0.285 0.833 0.500 O 1.109 Z: 6 4.575 1.445 0.101 0.681 1.000 0.600 CB 1.089 Z: 10 19.248 1.730 0.944 0.898 1.000 1.000 O 1.364 10 residues pruned to eliminate duplicates Z: 13 7.104 1.459 0.745 0.382 0.750 0.500 N 1.218 Z: 6 6.493 1.310 0.963 0.731 1.000 0.600 CB 0.917 Z: 7 3.334 1.257 0.736 0.513 0.667 0.500 CB 0.924 7 1.403 1.200 0.529 0.260 0.667 0.333 CB 0.616 ? Z: 25 13.190 1.871 0.676 0.351 0.792 0.458 CB 1.275 25 residues pruned to eliminate duplicates Z: 8 4.042 1.451 0.657 0.477 0.714 0.429 CB 0.911 Z: 7 2.607 1.446 0.880 0.184 0.500 0.500 N 1.145 Z: 22 17.254 1.962 0.526 0.521 0.905 0.571 CB 1.361 21 residues pruned to eliminate duplicates Z: 13 11.421 1.481 0.882 0.826 0.917 0.917 CB 0.973 13 residues pruned to eliminate duplicates Z: 7 6.967 1.265 0.789 0.709 1.000 0.667 CA 1.040 Z: 8 5.349 1.607 0.532 0.589 1.000 0.857 CB 0.754 11 residues pruned to eliminate duplicates Z: 11 2.095 1.517 0.287 0.272 0.600 0.500 CB 0.732 11 residues pruned to eliminate duplicates Z: 9 4.662 1.805 0.229 0.352 0.875 0.875 CB 0.996 Z: 9 3.442 1.484 -0.069 0.332 0.875 0.500 N 1.210 Z: 11 16.084 1.848 0.683 0.846 0.900 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 12 11.288 1.673 0.477 0.820 0.818 0.727 CB 1.275 12 residues pruned to eliminate duplicates Z: 9 4.981 1.656 0.401 0.406 0.875 0.375 CB 0.958 6 1.919 1.155 0.639 0.292 0.600 0.600 N 0.955 ? Z: 9 5.756 1.712 0.552 0.389 0.625 0.375 N 1.379 Z: 11 4.114 1.438 0.126 0.470 0.800 0.300 O 1.036 10 residues pruned to eliminate duplicates Z: 24 8.455 1.605 0.581 0.488 0.652 0.261 CB 1.078 24 residues pruned to eliminate duplicates Z: 26 8.089 1.616 0.401 0.285 0.760 0.400 CB 1.198 Z: 46 22.637 1.821 0.660 0.524 0.867 0.600 CB 1.258 53 residues pruned to eliminate duplicates Z: 8 2.853 1.391 0.863 0.191 0.714 0.571 N 0.842 Z: 11 4.383 1.496 0.164 0.367 0.800 0.400 O 1.147 11 residues pruned to eliminate duplicates Z: 14 13.501 1.537 0.984 0.765 0.923 0.846 CB 1.052 12 residues pruned to eliminate duplicates Z: 6 5.530 1.542 0.248 0.693 0.800 0.200 O 1.347 Z: 12 5.149 1.462 0.289 0.507 0.818 0.455 CB 0.999 Z: 6 4.943 1.433 0.187 0.636 1.000 0.800 O 1.144 Z: 6 3.712 1.299 0.881 0.675 1.000 0.400 CB 0.578 Z: 15 4.347 1.535 0.141 0.217 0.786 0.357 N 1.177 14 residues pruned to eliminate duplicates Z: 8 8.524 1.814 0.332 0.590 0.857 0.714 O 1.428 8 residues pruned to eliminate duplicates Z: 6 4.049 1.581 0.236 0.662 1.000 0.400 CB 0.798 Z: 13 12.622 1.657 0.705 0.812 0.917 0.583 CB 1.073 13 residues pruned to eliminate duplicates Z: 6 3.033 1.446 -0.009 0.453 1.000 0.400 CB 0.993 6 residues pruned to eliminate duplicates Z: 17 12.854 1.845 0.571 0.521 0.750 0.500 CB 1.447 Z: 16 7.646 1.796 0.458 0.321 0.733 0.467 CB 1.252 16 residues pruned to eliminate duplicates Z: 12 11.541 1.650 0.875 0.898 0.818 0.455 CB 0.983 12 residues pruned to eliminate duplicates Z: 9 4.549 1.503 0.436 0.314 0.875 0.500 CB 1.046 Z: 11 7.526 1.474 0.570 0.812 0.800 0.700 CB 0.980 11 residues pruned to eliminate duplicates Z: 11 9.458 1.672 0.634 0.504 0.800 0.500 CB 1.363 25 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 18.931 1.961 0.624 0.477 0.929 0.321 CB 1.238 31 residues pruned to eliminate duplicates Z: 7 2.537 1.534 0.390 0.504 0.833 0.833 CB 0.581 7 residues pruned to eliminate duplicates Z: 8 6.392 2.048 0.038 0.209 1.000 0.286 CB 1.604 8 residues pruned to eliminate duplicates Z: 9 5.100 1.964 0.054 0.300 0.750 0.125 CB 1.452 9 residues pruned to eliminate duplicates Z: 17 14.906 1.962 0.450 0.522 0.938 0.438 CB 1.367 17 residues pruned to eliminate duplicates Z: 7 5.025 1.931 0.019 0.249 0.833 0.333 N 1.670 7 residues pruned to eliminate duplicates Z: 12 12.883 1.726 0.732 0.529 0.909 0.727 O 1.389 18 residues pruned to eliminate duplicates Z: 14 15.087 1.795 0.489 0.888 1.000 0.769 CB 1.128 14 residues pruned to eliminate duplicates Z: 17 14.314 1.789 0.588 0.642 0.812 0.625 CB 1.358 17 residues pruned to eliminate duplicates Z: 11 10.841 1.788 0.480 0.544 0.900 0.500 N 1.379 11 residues pruned to eliminate duplicates Z: 12 19.113 1.868 0.601 0.834 1.000 0.818 CB 1.444 12 residues pruned to eliminate duplicates Z: 18 14.950 1.729 0.552 0.643 0.882 0.529 CB 1.340 18 residues pruned to eliminate duplicates Z: 16 17.328 1.765 0.629 0.675 0.933 0.733 O 1.419 16 residues pruned to eliminate duplicates Z: 14 16.256 1.824 0.510 0.892 1.000 1.000 CB 1.176 14 residues pruned to eliminate duplicates Z: 27 11.791 1.727 0.378 0.540 0.769 0.462 CB 1.214 27 residues pruned to eliminate duplicates Z: 17 14.822 1.840 0.551 0.716 0.875 0.688 CB 1.221 17 residues pruned to eliminate duplicates Z: 16 15.022 1.769 0.517 0.734 0.867 0.800 CB 1.352 16 residues pruned to eliminate duplicates Z: 23 15.407 1.767 0.534 0.618 0.864 0.636 CB 1.254 21 residues pruned to eliminate duplicates Z: 20 18.389 1.675 1.014 0.672 0.895 0.684 O 1.193 20 residues pruned to eliminate duplicates Z: 33 18.967 1.849 0.922 0.443 0.812 0.375 CB 1.231 41 residues pruned to eliminate duplicates Z: 18 27.618 1.812 0.931 0.856 1.000 0.706 CB 1.412 18 residues pruned to eliminate duplicates Z: 35 22.124 1.898 0.767 0.543 0.765 0.559 CB 1.418 35 residues pruned to eliminate duplicates Z: 36 28.031 1.950 0.737 0.662 0.857 0.514 CB 1.405 36 residues pruned to eliminate duplicates Z: 16 23.745 1.941 1.107 0.693 0.867 0.533 CB 1.449 16 residues pruned to eliminate duplicates Z: 16 12.575 1.818 0.815 0.523 0.800 0.333 N 1.202 16 residues pruned to eliminate duplicates Z: 22 18.948 1.798 0.870 0.608 0.905 0.524 CB 1.226 22 residues pruned to eliminate duplicates Z: 21 18.660 1.910 0.970 0.591 0.700 0.450 CB 1.452 21 residues pruned to eliminate duplicates Z: 10 15.578 1.983 1.069 0.703 0.667 0.556 CB 1.577 10 residues pruned to eliminate duplicates Z: 21 23.475 1.949 0.887 0.780 0.900 0.600 CB 1.239 21 residues pruned to eliminate duplicates Z: 36 32.278 1.943 0.961 0.634 0.857 0.543 CB 1.472 60 residues pruned to eliminate duplicates Z: 16 32.752 2.021 0.972 0.910 0.933 0.867 CB 1.612 17 residues pruned to eliminate duplicates Z: 17 28.020 1.921 1.147 0.863 0.875 0.688 CB 1.424 17 residues pruned to eliminate duplicates Z: 22 23.227 1.862 0.874 0.722 0.905 0.619 CB 1.314 22 residues pruned to eliminate duplicates Z: 13 12.039 1.937 0.645 0.476 0.833 0.667 CB 1.341 13 residues pruned to eliminate duplicates Z: 30 19.222 1.896 0.638 0.485 0.828 0.414 CB 1.409 30 residues pruned to eliminate duplicates Z: 9 18.446 2.089 0.903 0.533 1.000 0.375 CB 1.588 9 residues pruned to eliminate duplicates Z: 11 12.780 2.014 0.569 0.544 0.900 0.200 CB 1.361 11 residues pruned to eliminate duplicates Z: 29 22.657 1.975 0.618 0.571 0.857 0.500 CB 1.459 29 residues pruned to eliminate duplicates Z: 16 13.043 1.981 0.706 0.532 0.733 0.400 CB 1.317 16 residues pruned to eliminate duplicates Z: 39 19.587 1.906 0.822 0.467 0.842 0.526 CB 1.124 39 residues pruned to eliminate duplicates Z: 16 10.856 1.812 0.683 0.462 0.800 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 15 14.037 1.998 0.613 0.658 0.786 0.500 CB 1.280 15 residues pruned to eliminate duplicates Z: 23 18.558 1.929 0.816 0.464 0.864 0.591 CB 1.357 23 residues pruned to eliminate duplicates Z: 20 14.648 1.917 0.532 0.417 0.842 0.368 CB 1.482 20 residues pruned to eliminate duplicates Z: 50 23.521 1.963 0.709 0.408 0.837 0.531 CB 1.319 50 residues pruned to eliminate duplicates Z: 28 23.311 1.936 0.819 0.471 0.926 0.519 CB 1.417 28 residues pruned to eliminate duplicates Z: 50 26.045 1.914 0.742 0.497 0.857 0.449 CB 1.306 50 residues pruned to eliminate duplicates Z: 12 8.556 1.541 0.619 0.474 0.909 0.545 CB 1.167 Z: 14 20.480 1.810 0.632 0.811 1.000 0.846 CB 1.466 26 residues pruned to eliminate duplicates Z: 36 20.823 1.820 0.694 0.475 0.943 0.571 CB 1.242 36 residues pruned to eliminate duplicates Z: 28 15.471 1.848 0.533 0.506 0.852 0.630 CB 1.227 28 residues pruned to eliminate duplicates Z: 43 26.891 1.877 0.737 0.564 0.952 0.690 CB 1.256 44 residues pruned to eliminate duplicates Z: 17 18.887 1.799 0.665 0.802 0.875 0.688 O 1.384 17 residues pruned to eliminate duplicates Z: 39 20.030 1.811 0.638 0.489 0.868 0.579 CB 1.275 39 residues pruned to eliminate duplicates Z: 39 26.583 1.875 0.635 0.578 0.974 0.632 CB 1.339 40 residues pruned to eliminate duplicates Z: 15 14.585 1.770 0.416 0.758 0.929 0.500 O 1.331 15 residues pruned to eliminate duplicates Z: 21 14.070 1.848 0.522 0.432 0.850 0.450 CB 1.413 21 residues pruned to eliminate duplicates Z: 28 21.422 1.851 0.726 0.574 0.963 0.519 CB 1.248 28 residues pruned to eliminate duplicates Z: 28 19.653 1.740 0.690 0.556 0.926 0.593 CB 1.315 28 residues pruned to eliminate duplicates Z: 33 18.466 1.865 0.684 0.463 0.812 0.500 CB 1.329 33 residues pruned to eliminate duplicates Z: 43 26.601 1.882 0.690 0.566 1.000 0.667 CB 1.211 43 residues pruned to eliminate duplicates Z: 52 27.207 1.820 0.696 0.579 0.882 0.627 CB 1.296 55 residues pruned to eliminate duplicates Z: 18 16.805 1.785 0.565 0.771 0.824 0.647 CB 1.393 18 residues pruned to eliminate duplicates Z: 9 5.902 1.802 0.499 0.204 0.750 0.250 CB 1.463 9 residues pruned to eliminate duplicates Z: 32 14.207 1.863 0.498 0.261 0.871 0.323 CB 1.379 32 residues pruned to eliminate duplicates Z: 37 12.767 1.864 0.572 0.339 0.806 0.583 CB 1.074 52 residues pruned to eliminate duplicates Z: 8 10.849 1.949 0.899 0.713 0.714 0.286 CB 1.278 8 residues pruned to eliminate duplicates Z: 11 7.616 1.935 0.586 0.534 0.700 0.300 CB 1.085 11 residues pruned to eliminate duplicates Z: 12 13.325 1.914 0.927 0.554 0.818 0.455 CB 1.263 12 residues pruned to eliminate duplicates Z: 17 8.421 1.871 0.591 0.385 0.562 0.500 CB 1.421 17 residues pruned to eliminate duplicates Z: 15 9.886 1.816 0.746 0.421 0.714 0.429 CB 1.266 15 residues pruned to eliminate duplicates Z: 13 12.664 1.869 0.720 0.565 0.833 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 8 7.293 1.689 0.368 0.533 1.000 0.714 CB 1.154 Z: 10 8.938 1.637 0.522 0.568 0.778 0.556 O 1.440 Z: 7 4.345 1.680 0.384 0.688 0.500 0.333 CB 1.285 7 residues pruned to eliminate duplicates Z: 8 5.948 1.717 0.141 0.468 0.857 0.429 O 1.382 8 residues pruned to eliminate duplicates Z: 11 6.846 1.709 0.146 0.472 1.000 0.700 O 1.137 11 residues pruned to eliminate duplicates Z: 39 9.898 1.671 0.255 0.358 0.737 0.342 CB 1.212 39 residues pruned to eliminate duplicates Z: 7 11.997 1.671 0.789 0.751 1.000 0.667 O 1.310 7 residues pruned to eliminate duplicates Z: 33 11.294 1.651 0.461 0.379 0.844 0.500 CB 1.115 34 residues pruned to eliminate duplicates Z: 10 13.051 1.694 0.934 0.632 0.889 0.556 CB 1.320 10 residues pruned to eliminate duplicates Z: 14 6.830 1.718 0.382 0.334 0.692 0.385 O 1.381 14 residues pruned to eliminate duplicates Z: 11 10.712 1.847 0.220 0.612 0.900 0.600 CB 1.502 11 residues pruned to eliminate duplicates Z: 14 17.000 1.836 0.618 0.480 1.000 0.615 N 1.619 14 residues pruned to eliminate duplicates Z: 9 10.606 1.788 0.780 0.592 0.875 0.375 CB 1.234 9 residues pruned to eliminate duplicates Z: 18 13.409 1.908 0.558 0.496 0.765 0.412 CB 1.436 18 residues pruned to eliminate duplicates Z: 9 9.395 1.802 0.514 0.608 0.750 0.375 CB 1.465 9 residues pruned to eliminate duplicates Z: 16 14.409 1.921 1.012 0.385 0.800 0.533 CB 1.360 27 residues pruned to eliminate duplicates Z: 8 9.131 1.928 0.726 0.536 0.714 0.429 CB 1.401 8 residues pruned to eliminate duplicates Z: 15 14.445 1.936 0.842 0.450 0.857 0.714 CB 1.329 15 residues pruned to eliminate duplicates Z: 9 5.872 1.845 0.951 0.371 0.750 0.500 CB 0.883 9 residues pruned to eliminate duplicates Z: 7 10.672 2.023 1.137 0.548 1.000 0.667 CB 0.962 7 residues pruned to eliminate duplicates Z: 13 8.966 1.869 0.693 0.408 0.833 0.667 CB 1.081 9 residues pruned to eliminate duplicates Z: 6 5.105 1.228 1.268 0.488 1.000 0.600 N 0.830 6 residues pruned to eliminate duplicates Z: 13 8.551 1.942 0.712 0.361 0.667 0.417 CB 1.294 18 residues pruned to eliminate duplicates Z: 8 4.538 1.535 1.008 0.321 0.571 0.286 O 1.186 Z: 6 4.690 1.478 0.696 0.334 1.000 0.400 O 1.004 14 residues pruned to eliminate duplicates Z: 32 15.606 1.825 0.530 0.411 0.871 0.548 CB 1.265 32 residues pruned to eliminate duplicates Z: 15 8.966 1.885 0.434 0.294 0.929 0.286 CB 1.203 15 residues pruned to eliminate duplicates Z: 24 13.454 1.894 0.423 0.344 0.870 0.652 CB 1.417 24 residues pruned to eliminate duplicates Z: 21 13.689 1.958 0.474 0.402 0.850 0.600 CB 1.384 21 residues pruned to eliminate duplicates Z: 23 14.094 1.909 0.442 0.341 0.909 0.318 CB 1.427 23 residues pruned to eliminate duplicates Z: 40 15.869 1.906 0.366 0.444 0.846 0.538 CB 1.221 50 residues pruned to eliminate duplicates Z: 7 3.549 1.602 0.319 0.338 0.833 0.167 O 0.982 7 residues pruned to eliminate duplicates Z: 25 13.985 1.854 0.477 0.387 0.875 0.500 CB 1.343 25 residues pruned to eliminate duplicates Z: 31 15.448 1.865 0.457 0.447 0.867 0.433 CB 1.265 31 residues pruned to eliminate duplicates Z: 29 12.201 1.818 0.269 0.307 0.893 0.286 CB 1.388 29 residues pruned to eliminate duplicates Z: 11 10.346 1.880 0.228 0.493 1.000 0.600 O 1.427 11 residues pruned to eliminate duplicates Z: 16 9.893 1.850 0.200 0.409 0.933 0.467 CB 1.356 16 residues pruned to eliminate duplicates Z: 41 22.144 1.906 0.651 0.409 0.900 0.575 CB 1.360 41 residues pruned to eliminate duplicates Z: 16 14.337 1.890 0.566 0.800 1.000 0.600 CB 0.963 16 residues pruned to eliminate duplicates Z: 20 8.507 1.700 0.406 0.443 0.842 0.368 CB 1.028 20 residues pruned to eliminate duplicates Z: 29 14.196 1.872 0.435 0.418 0.857 0.464 CB 1.270 29 residues pruned to eliminate duplicates Z: 10 8.619 1.794 0.716 0.737 0.889 0.778 CB 0.848 10 residues pruned to eliminate duplicates Z: 46 16.405 1.881 0.387 0.409 0.822 0.489 CB 1.255 46 residues pruned to eliminate duplicates Z: 11 10.764 1.933 0.432 0.883 1.000 0.900 CB 0.889 11 residues pruned to eliminate duplicates Z: 10 11.092 1.895 0.560 0.793 1.000 0.444 CB 0.967 10 residues pruned to eliminate duplicates Z: 10 8.039 1.869 0.537 0.756 0.889 0.778 CB 0.836 10 residues pruned to eliminate duplicates Z: 32 20.574 1.893 0.528 0.534 0.968 0.645 CB 1.277 32 residues pruned to eliminate duplicates Z: 7 4.542 1.648 0.310 0.575 0.833 0.500 O 0.959 7 residues pruned to eliminate duplicates Z: 12 10.555 1.716 0.296 0.502 1.000 0.636 CB 1.428 11 residues pruned to eliminate duplicates Z: 6 3.586 1.566 0.432 0.402 0.800 0.600 CB 0.991 6 residues pruned to eliminate duplicates Z: 11 10.309 1.640 0.472 0.579 0.900 0.500 CB 1.390 11 residues pruned to eliminate duplicates Z: 8 4.056 1.483 0.446 0.300 0.714 0.429 N 1.250 8 residues pruned to eliminate duplicates Z: 31 23.235 1.864 0.536 0.682 0.900 0.500 CB 1.393 30 residues pruned to eliminate duplicates Z: 6 3.083 1.467 0.395 0.243 1.000 0.000 CB 0.906 6 residues pruned to eliminate duplicates Z: 8 8.897 1.828 0.239 0.889 1.000 1.000 CB 1.069 8 residues pruned to eliminate duplicates Z: 8 9.968 1.700 0.424 0.876 1.000 0.571 CB 1.131 8 residues pruned to eliminate duplicates Z: 7 9.539 1.796 0.332 0.865 1.000 0.833 CB 1.193 7 residues pruned to eliminate duplicates Z: 9 9.883 1.740 0.174 0.884 1.000 0.875 CB 1.236 9 residues pruned to eliminate duplicates Z: 9 10.399 1.772 0.342 0.749 1.000 0.750 CB 1.238 8 residues pruned to eliminate duplicates Z: 7 9.590 1.856 0.253 0.834 1.000 0.667 CB 1.262 7 residues pruned to eliminate duplicates Z: 16 4.363 1.556 0.670 0.230 0.600 0.200 CB 0.990 16 residues pruned to eliminate duplicates Z: 9 10.557 1.649 0.699 0.565 1.000 0.500 N 1.251 9 residues pruned to eliminate duplicates Z: 10 9.538 1.724 0.375 0.508 0.889 0.444 CB 1.497 14 residues pruned to eliminate duplicates Z: 20 8.551 1.636 0.461 0.372 0.737 0.158 CB 1.277 21 residues pruned to eliminate duplicates Z: 9 6.741 1.719 0.016 0.593 0.875 0.375 CB 1.426 9 residues pruned to eliminate duplicates Z: 26 8.888 1.574 0.351 0.405 0.760 0.360 CB 1.216 20 residues pruned to eliminate duplicates Z: 15 18.745 1.828 0.822 0.824 0.929 0.857 CB 1.223 15 residues pruned to eliminate duplicates Z: 25 14.745 1.883 0.523 0.555 0.750 0.458 CB 1.326 25 residues pruned to eliminate duplicates Z: 10 8.317 1.811 0.262 0.545 0.889 0.667 CB 1.305 10 residues pruned to eliminate duplicates Z: 25 14.520 1.883 0.433 0.527 0.792 0.542 CB 1.351 25 residues pruned to eliminate duplicates Z: 16 10.885 1.822 0.367 0.499 0.800 0.467 CB 1.412 16 residues pruned to eliminate duplicates Z: 26 15.393 1.832 0.588 0.520 0.800 0.480 CB 1.297 26 residues pruned to eliminate duplicates Z: 29 17.046 1.810 0.578 0.503 0.786 0.571 CB 1.431 29 residues pruned to eliminate duplicates Z: 24 16.488 1.871 0.666 0.536 0.826 0.652 CB 1.289 25 residues pruned to eliminate duplicates Z: 15 19.948 1.825 0.663 0.891 1.000 1.000 CB 1.262 15 residues pruned to eliminate duplicates Z: 10 14.943 1.818 0.528 0.897 1.000 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 19 11.334 1.857 0.507 0.502 0.833 0.500 CB 1.143 19 residues pruned to eliminate duplicates Z: 24 13.252 1.814 0.660 0.474 0.826 0.565 CB 1.140 24 residues pruned to eliminate duplicates Z: 25 17.228 1.791 0.531 0.489 0.875 0.542 CB 1.482 25 residues pruned to eliminate duplicates Z: 22 17.531 1.840 0.667 0.569 0.810 0.476 CB 1.441 22 residues pruned to eliminate duplicates Z: 25 17.829 1.889 0.507 0.532 0.875 0.750 CB 1.416 25 residues pruned to eliminate duplicates Z: 23 15.545 1.809 0.515 0.601 0.818 0.727 CB 1.343 23 residues pruned to eliminate duplicates Z: 24 20.980 1.871 0.697 0.573 0.870 0.609 CB 1.477 24 residues pruned to eliminate duplicates Z: 23 15.320 1.841 0.448 0.596 0.864 0.636 CB 1.294 23 residues pruned to eliminate duplicates Z: 22 10.859 1.854 0.439 0.529 0.810 0.571 CB 1.067 22 residues pruned to eliminate duplicates Z: 11 9.602 1.823 1.174 0.447 0.800 0.600 CB 1.011 11 residues pruned to eliminate duplicates Z: 21 17.639 1.785 0.996 0.549 0.850 0.500 CB 1.242 21 residues pruned to eliminate duplicates Z: 25 20.740 1.866 0.695 0.596 0.917 0.792 CB 1.332 25 residues pruned to eliminate duplicates Z: 41 30.128 1.941 0.746 0.690 0.875 0.800 CB 1.350 41 residues pruned to eliminate duplicates Z: 13 15.899 2.028 0.285 0.788 1.000 0.833 CB 1.368 13 residues pruned to eliminate duplicates Z: 38 20.419 1.914 0.574 0.638 0.757 0.622 CB 1.294 38 residues pruned to eliminate duplicates Z: 33 24.169 1.990 0.695 0.611 0.844 0.625 CB 1.351 33 residues pruned to eliminate duplicates Z: 28 23.707 1.962 0.828 0.662 0.852 0.704 CB 1.285 28 residues pruned to eliminate duplicates Z: 20 20.868 1.974 0.638 0.764 0.895 0.842 CB 1.309 20 residues pruned to eliminate duplicates Z: 53 30.391 1.927 0.706 0.576 0.885 0.712 CB 1.347 53 residues pruned to eliminate duplicates Z: 44 34.369 1.953 0.673 0.742 0.977 0.744 CB 1.323 44 residues pruned to eliminate duplicates Z: 19 18.784 1.989 0.703 0.724 0.889 0.667 CB 1.201 19 residues pruned to eliminate duplicates Z: 17 36.559 2.088 0.953 0.866 1.000 0.688 CB 1.640 17 residues pruned to eliminate duplicates Z: 19 30.599 2.050 1.052 0.833 0.889 0.556 CB 1.447 19 residues pruned to eliminate duplicates Z: 24 32.295 2.034 0.906 0.810 0.957 0.826 CB 1.386 24 residues pruned to eliminate duplicates Z: 29 27.464 1.790 0.774 0.865 1.000 0.750 CB 1.197 29 residues pruned to eliminate duplicates Z: 24 26.651 2.024 0.783 0.797 0.870 0.739 CB 1.366 24 residues pruned to eliminate duplicates Z: 16 28.258 2.056 0.754 0.862 0.933 0.600 CB 1.592 16 residues pruned to eliminate duplicates Z: 45 35.788 1.926 0.783 0.720 0.932 0.705 CB 1.382 45 residues pruned to eliminate duplicates Z: 15 27.154 1.980 0.871 0.857 0.929 0.714 CB 1.554 15 residues pruned to eliminate duplicates Z: 51 24.220 1.962 0.658 0.567 0.780 0.660 CB 1.266 53 residues pruned to eliminate duplicates Z: 25 36.795 1.958 0.969 0.885 1.000 0.875 CB 1.406 25 residues pruned to eliminate duplicates Z: 15 8.709 1.544 0.617 0.485 0.786 0.286 N 1.204 15 residues pruned to eliminate duplicates Z: 11 12.645 1.757 0.433 0.745 1.000 0.600 CB 1.275 10 residues pruned to eliminate duplicates Z: 15 15.689 1.651 0.622 0.878 1.000 0.786 O 1.137 15 residues pruned to eliminate duplicates Z: 17 9.320 1.700 0.434 0.488 0.750 0.562 CB 1.290 14 residues pruned to eliminate duplicates Z: 10 11.955 1.748 0.547 0.825 0.889 0.889 CB 1.251 10 residues pruned to eliminate duplicates Z: 14 6.190 1.583 0.898 0.413 0.692 0.231 CB 0.904 14 residues pruned to eliminate duplicates Z: 17 8.309 1.649 0.555 0.702 0.688 0.312 CB 0.981 17 residues pruned to eliminate duplicates Z: 9 5.768 1.641 0.922 0.475 0.750 0.125 CB 0.884 9 residues pruned to eliminate duplicates Z: 9 5.969 1.638 0.737 0.588 0.750 0.500 CB 0.909 9 residues pruned to eliminate duplicates Z: 19 14.419 1.706 0.868 0.662 0.889 0.500 CB 1.032 19 residues pruned to eliminate duplicates Z: 10 7.258 1.615 0.720 0.626 0.778 0.667 CB 0.995 10 residues pruned to eliminate duplicates Z: 20 12.734 1.705 0.443 0.784 0.895 0.632 CB 1.034 20 residues pruned to eliminate duplicates Z: 21 13.369 1.674 0.659 0.733 0.850 0.650 CB 1.027 21 residues pruned to eliminate duplicates Z: 16 11.365 1.694 0.839 0.655 0.933 0.733 CB 0.874 16 residues pruned to eliminate duplicates Z: 9 7.315 1.774 0.455 0.463 0.875 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 14 9.409 1.765 0.452 0.654 0.846 0.615 CB 1.043 14 residues pruned to eliminate duplicates Z: 24 14.186 1.737 0.469 0.776 0.913 0.696 CB 0.995 24 residues pruned to eliminate duplicates Z: 15 7.868 1.775 0.395 0.477 0.857 0.500 CB 1.014 30 residues pruned to eliminate duplicates Z: 6 2.409 1.204 0.870 0.470 0.800 0.400 CB 0.617 Z: 7 4.796 1.482 0.542 0.374 0.833 0.333 N 1.177 Z: 20 12.818 1.702 0.654 0.676 0.737 0.368 CB 1.206 27 residues pruned to eliminate duplicates Z: 9 7.612 1.800 0.395 0.761 0.875 0.375 CB 0.971 9 residues pruned to eliminate duplicates Z: 17 8.603 1.701 0.695 0.450 0.688 0.438 CB 1.142 17 residues pruned to eliminate duplicates Z: 13 10.093 1.892 0.416 0.701 0.750 0.417 CB 1.208 13 residues pruned to eliminate duplicates Z: 15 13.165 1.704 0.723 0.770 0.857 0.571 CB 1.102 15 residues pruned to eliminate duplicates Z: 11 9.461 1.808 0.844 0.704 0.700 0.500 CB 1.064 11 residues pruned to eliminate duplicates Z: 20 13.944 1.689 0.644 0.645 0.842 0.421 CB 1.195 20 residues pruned to eliminate duplicates Z: 11 9.274 1.834 0.787 0.721 0.600 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 7 8.355 1.758 1.127 0.696 0.833 0.500 CB 0.915 7 residues pruned to eliminate duplicates Z: 23 10.590 1.712 0.801 0.465 0.727 0.318 CB 1.043 23 residues pruned to eliminate duplicates Z: 19 12.556 1.758 0.880 0.588 0.611 0.167 CB 1.347 19 residues pruned to eliminate duplicates Z: 13 11.265 1.939 0.873 0.294 0.750 0.333 CB 1.503 Z: 9 11.127 1.861 0.732 0.725 0.875 0.375 CB 1.139 9 residues pruned to eliminate duplicates Z: 7 16.352 1.924 1.015 0.819 0.833 0.500 CB 1.567 12 residues pruned to eliminate duplicates Z: 7 9.857 1.641 1.001 0.634 0.833 0.333 O 1.297 7 residues pruned to eliminate duplicates Z: 13 9.445 1.792 0.759 0.392 0.667 0.167 CB 1.455 8 residues pruned to eliminate duplicates Z: 8 13.389 1.709 0.808 0.806 1.000 0.571 CB 1.254 10 residues pruned to eliminate duplicates Z: 15 21.859 1.924 0.885 0.633 0.857 0.357 O 1.659 26 residues pruned to eliminate duplicates Z: 27 17.569 1.826 0.887 0.515 0.808 0.385 CB 1.220 30 residues pruned to eliminate duplicates Z: 8 10.872 1.721 0.726 0.648 0.857 0.571 CB 1.405 8 residues pruned to eliminate duplicates Z: 21 12.817 1.815 0.995 0.386 0.600 0.400 O 1.489 19 residues pruned to eliminate duplicates Z: 7 6.596 1.780 0.685 0.485 0.667 0.333 O 1.368 7 residues pruned to eliminate duplicates Z: 19 20.831 1.887 0.984 0.568 0.889 0.500 CB 1.381 19 residues pruned to eliminate duplicates Z: 13 13.896 1.946 0.772 0.527 0.833 0.583 CB 1.359 14 residues pruned to eliminate duplicates Z: 9 4.210 1.534 0.337 0.548 0.625 0.500 CB 1.108 8 residues pruned to eliminate duplicates Z: 8 3.769 1.551 0.336 0.680 0.857 0.714 CB 0.680 8 residues pruned to eliminate duplicates Z: 23 7.655 1.631 0.563 0.244 0.682 0.318 CB 1.261 8 residues pruned to eliminate duplicates Z: 9 7.602 1.530 0.334 0.619 0.875 0.500 N 1.345 9 residues pruned to eliminate duplicates Z: 10 5.295 1.582 0.493 0.543 0.556 0.333 CB 1.290 10 residues pruned to eliminate duplicates Z: 8 2.034 1.438 0.504 0.255 0.571 0.143 CB 0.824 8 residues pruned to eliminate duplicates Z: 9 7.066 1.705 0.450 0.527 0.750 0.625 CB 1.312 9 residues pruned to eliminate duplicates Z: 9 6.102 1.714 0.335 0.402 0.750 0.500 CB 1.394 9 residues pruned to eliminate duplicates Z: 14 7.053 1.667 0.221 0.381 0.769 0.385 CB 1.418 14 residues pruned to eliminate duplicates Z: 11 5.785 1.662 0.422 0.460 0.600 0.500 CB 1.343 11 residues pruned to eliminate duplicates Z: 24 7.294 1.550 0.172 0.407 0.826 0.435 CB 1.118 24 residues pruned to eliminate duplicates Z: 13 6.479 1.631 0.166 0.418 0.833 0.583 CB 1.285 13 residues pruned to eliminate duplicates Z: 16 5.858 1.558 0.432 0.281 0.733 0.467 CB 1.184 16 residues pruned to eliminate duplicates Z: 11 6.456 1.706 0.312 0.477 0.700 0.500 CB 1.333 11 residues pruned to eliminate duplicates Z: 24 7.016 1.541 0.261 0.356 0.783 0.435 CB 1.124 20 residues pruned to eliminate duplicates Z: 12 10.764 1.669 0.570 0.833 1.000 0.818 CB 0.929 10 residues pruned to eliminate duplicates Z: 12 11.522 1.702 0.584 0.790 0.909 0.636 CB 1.099 11 residues pruned to eliminate duplicates Z: 10 6.433 1.667 0.772 0.777 0.778 0.778 CB 0.731 10 residues pruned to eliminate duplicates Z: 19 5.451 1.543 0.447 0.365 0.667 0.444 CB 0.997 19 residues pruned to eliminate duplicates Z: 12 6.632 1.561 0.506 0.552 0.727 0.455 CB 1.112 12 residues pruned to eliminate duplicates Z: 14 9.153 1.724 0.452 0.593 0.846 0.615 CB 1.096 14 residues pruned to eliminate duplicates Z: 12 5.853 1.571 0.531 0.710 0.909 0.727 CB 0.667 12 residues pruned to eliminate duplicates Z: 12 10.373 1.697 0.364 0.723 1.000 0.818 CB 1.105 12 residues pruned to eliminate duplicates Z: 14 11.358 1.645 0.537 0.775 1.000 0.538 CB 0.977 12 residues pruned to eliminate duplicates Z: 12 9.248 1.678 0.394 0.719 0.909 0.545 CB 1.076 12 residues pruned to eliminate duplicates Z: 15 15.333 1.706 0.466 0.695 1.000 0.714 O 1.371 9 residues pruned to eliminate duplicates Z: 9 9.661 1.592 0.780 0.777 1.000 0.625 CB 0.944 9 residues pruned to eliminate duplicates Z: 9 11.712 1.647 0.645 0.757 1.000 0.625 CB 1.216 9 residues pruned to eliminate duplicates Z: 8 12.602 1.655 0.690 0.812 1.000 0.714 O 1.298 8 residues pruned to eliminate duplicates Z: 15 12.946 1.675 0.558 0.531 0.929 0.571 O 1.385 15 residues pruned to eliminate duplicates Z: 23 9.552 1.750 0.397 0.412 0.727 0.500 CB 1.257 23 residues pruned to eliminate duplicates Z: 7 4.801 1.706 0.459 0.387 0.667 0.000 N 1.333 7 residues pruned to eliminate duplicates Z: 10 7.285 1.704 0.599 0.513 0.778 0.333 CB 1.132 25 residues pruned to eliminate duplicates Z: 7 2.723 1.645 0.351 0.461 0.500 0.333 CB 1.041 7 residues pruned to eliminate duplicates Z: 19 13.142 1.769 0.423 0.624 0.889 0.333 CB 1.232 18 residues pruned to eliminate duplicates Z: 11 10.891 1.767 0.457 0.689 0.900 0.400 CB 1.250 11 residues pruned to eliminate duplicates Z: 17 9.204 1.812 0.552 0.522 0.875 0.562 CB 0.915 17 residues pruned to eliminate duplicates Z: 13 6.442 1.875 0.368 0.475 0.667 0.417 CB 1.116 13 residues pruned to eliminate duplicates Z: 30 12.912 1.770 0.534 0.464 0.828 0.552 CB 1.107 24 residues pruned to eliminate duplicates Z: 14 10.363 1.585 0.668 0.821 0.769 0.462 CB 1.070 14 residues pruned to eliminate duplicates Z: 17 13.250 1.831 0.400 0.547 0.875 0.312 CB 1.411 17 residues pruned to eliminate duplicates Z: 10 12.214 1.968 0.509 0.599 0.889 0.556 CB 1.403 10 residues pruned to eliminate duplicates Z: 26 11.479 1.849 0.289 0.421 0.840 0.560 CB 1.245 24 residues pruned to eliminate duplicates Z: 16 10.375 1.810 0.480 0.459 0.800 0.400 CB 1.304 16 residues pruned to eliminate duplicates Z: 39 17.729 1.809 0.396 0.570 0.895 0.658 CB 1.190 53 residues pruned to eliminate duplicates Z: 6 3.720 1.422 0.624 0.238 0.800 0.200 N 1.220 6 residues pruned to eliminate duplicates Z: 19 12.878 1.872 0.486 0.496 0.889 0.667 CB 1.232 19 residues pruned to eliminate duplicates Z: 32 15.871 1.798 0.508 0.583 0.839 0.581 CB 1.158 32 residues pruned to eliminate duplicates Z: 17 11.244 1.779 0.564 0.588 0.875 0.562 CB 1.061 17 residues pruned to eliminate duplicates Z: 25 12.408 1.825 0.555 0.493 0.750 0.333 CB 1.198 25 residues pruned to eliminate duplicates Z: 22 14.832 1.804 0.577 0.519 0.857 0.524 CB 1.303 24 residues pruned to eliminate duplicates Z: 24 25.166 1.920 0.699 0.823 0.870 0.826 CB 1.398 24 residues pruned to eliminate duplicates Z: 28 12.156 1.855 0.455 0.456 0.778 0.593 CB 1.165 28 residues pruned to eliminate duplicates Z: 35 19.020 1.925 0.455 0.581 0.882 0.618 CB 1.220 35 residues pruned to eliminate duplicates Z: 12 8.573 1.836 1.038 0.328 0.909 0.273 CB 0.917 12 residues pruned to eliminate duplicates Z: 18 13.710 1.907 0.479 0.632 0.824 0.588 CB 1.264 18 residues pruned to eliminate duplicates Z: 8 4.573 1.628 0.788 0.549 0.429 0.143 O 1.321 8 residues pruned to eliminate duplicates Z: 18 19.588 1.871 0.797 0.735 0.882 0.471 CB 1.296 18 residues pruned to eliminate duplicates Z: 19 19.185 1.976 0.668 0.743 0.833 0.611 CB 1.324 19 residues pruned to eliminate duplicates Z: 26 18.867 1.856 0.616 0.587 0.840 0.600 CB 1.377 26 residues pruned to eliminate duplicates Z: 17 20.876 1.975 0.829 0.814 0.875 0.625 CB 1.256 17 residues pruned to eliminate duplicates Z: 22 19.711 1.899 0.605 0.828 0.905 0.762 CB 1.174 22 residues pruned to eliminate duplicates Z: 26 14.101 1.855 0.365 0.579 0.840 0.640 CB 1.229 26 residues pruned to eliminate duplicates Z: 21 27.025 1.934 0.717 0.810 1.000 0.700 CB 1.390 21 residues pruned to eliminate duplicates Z: 34 22.740 1.951 0.580 0.652 0.848 0.727 CB 1.314 34 residues pruned to eliminate duplicates Z: 20 20.715 1.888 0.803 0.678 0.947 0.684 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 29.101 1.977 0.946 0.809 0.944 0.667 CB 1.442 19 residues pruned to eliminate duplicates Z: 30 19.397 1.880 0.475 0.604 0.828 0.586 CB 1.422 30 residues pruned to eliminate duplicates Z: 29 23.316 1.825 0.783 0.615 0.893 0.643 CB 1.360 29 residues pruned to eliminate duplicates Z: 18 22.472 1.964 0.749 0.796 0.824 0.706 CB 1.486 18 residues pruned to eliminate duplicates Z: 20 17.888 1.903 0.717 0.708 0.737 0.632 CB 1.411 20 residues pruned to eliminate duplicates Z: 11 4.250 1.653 0.291 0.190 0.700 0.400 CB 1.304 Z: 7 2.918 1.464 0.148 0.362 0.833 0.500 N 0.986 7 residues pruned to eliminate duplicates Z: 12 3.956 1.661 0.545 0.176 0.818 0.545 CB 0.841 23 residues pruned to eliminate duplicates Z: 12 6.916 1.612 0.582 0.348 0.909 0.364 CB 1.060 12 residues pruned to eliminate duplicates Z: 27 32.232 2.004 0.980 0.699 0.923 0.500 CB 1.439 46 residues pruned to eliminate duplicates Z: 7 7.802 1.657 0.739 0.478 0.833 0.667 O 1.356 7 residues pruned to eliminate duplicates Z: 16 11.621 1.914 0.739 0.440 0.800 0.467 CB 1.199 16 residues pruned to eliminate duplicates Z: 14 12.563 1.928 0.794 0.505 0.846 0.615 CB 1.185 14 residues pruned to eliminate duplicates Z: 13 12.357 1.890 0.525 0.506 0.917 0.500 CB 1.342 13 residues pruned to eliminate duplicates Z: 14 15.083 1.896 0.486 0.556 0.923 0.615 CB 1.523 14 residues pruned to eliminate duplicates Z: 15 19.725 1.868 0.858 0.857 0.929 0.929 CB 1.206 15 residues pruned to eliminate duplicates Z: 21 14.208 1.800 0.720 0.534 0.800 0.550 CB 1.241 14 residues pruned to eliminate duplicates Z: 13 23.232 1.928 0.835 0.908 1.000 0.833 CB 1.346 13 residues pruned to eliminate duplicates Z: 12 21.906 2.005 0.778 0.815 0.909 0.818 CB 1.550 20 residues pruned to eliminate duplicates Z: 15 14.000 1.763 0.459 0.816 0.857 0.786 CB 1.289 15 residues pruned to eliminate duplicates Z: 13 12.963 1.942 0.385 0.795 0.917 0.750 CB 1.172 13 residues pruned to eliminate duplicates Z: 14 15.493 1.938 0.628 0.735 0.846 0.615 CB 1.303 14 residues pruned to eliminate duplicates Z: 15 20.287 1.957 0.776 0.810 0.929 0.857 CB 1.282 15 residues pruned to eliminate duplicates Z: 16 15.337 1.892 0.765 0.774 0.867 0.800 CB 1.074 16 residues pruned to eliminate duplicates Z: 14 18.492 1.904 0.819 0.766 0.923 0.615 CB 1.268 14 residues pruned to eliminate duplicates Z: 31 17.571 1.848 0.542 0.542 0.800 0.600 CB 1.350 31 residues pruned to eliminate duplicates Z: 18 19.064 1.829 0.793 0.699 0.882 0.471 CB 1.333 11 residues pruned to eliminate duplicates Z: 16 20.481 1.730 0.749 0.870 0.933 0.933 N 1.366 16 residues pruned to eliminate duplicates Z: 16 17.293 1.844 0.786 0.703 0.867 0.800 CB 1.300 16 residues pruned to eliminate duplicates Z: 20 8.683 1.670 0.428 0.659 0.684 0.368 CB 1.053 8 residues pruned to eliminate duplicates Z: 10 9.369 1.831 0.449 0.882 0.889 0.778 CB 0.958 10 residues pruned to eliminate duplicates Z: 15 11.052 1.726 0.462 0.655 0.929 0.714 CB 1.092 10 residues pruned to eliminate duplicates Z: 11 5.952 1.639 0.341 0.726 0.900 0.800 CB 0.776 11 residues pruned to eliminate duplicates Z: 15 8.779 1.734 0.326 0.582 0.929 0.571 CB 1.016 15 residues pruned to eliminate duplicates Z: 15 9.530 1.762 0.425 0.669 0.786 0.571 CB 1.104 15 residues pruned to eliminate duplicates Z: 13 9.365 1.782 0.485 0.557 0.750 0.583 CB 1.289 13 residues pruned to eliminate duplicates Z: 18 7.611 1.688 0.416 0.479 0.706 0.412 CB 1.117 18 residues pruned to eliminate duplicates Z: 15 9.419 1.645 0.364 0.566 0.929 0.643 CB 1.134 13 residues pruned to eliminate duplicates Z: 14 9.184 1.657 0.521 0.683 0.846 0.615 CB 1.010 14 residues pruned to eliminate duplicates Z: 10 7.195 1.589 0.590 0.546 0.889 0.667 CB 1.022 12 residues pruned to eliminate duplicates Z: 9 16.330 1.946 0.685 0.837 1.000 0.750 CB 1.317 9 residues pruned to eliminate duplicates Z: 11 7.624 1.729 0.444 0.574 0.900 0.500 CB 0.998 11 residues pruned to eliminate duplicates Z: 31 9.865 1.816 0.271 0.403 0.767 0.567 CB 1.127 31 residues pruned to eliminate duplicates Z: 26 12.727 1.886 0.558 0.438 0.800 0.600 CB 1.155 48 residues pruned to eliminate duplicates Z: 21 10.803 1.875 0.510 0.437 0.800 0.550 CB 1.138 21 residues pruned to eliminate duplicates Z: 14 10.068 1.868 0.764 0.513 0.692 0.385 CB 1.209 14 residues pruned to eliminate duplicates Z: 23 14.662 1.908 0.609 0.468 0.773 0.409 CB 1.361 23 residues pruned to eliminate duplicates Z: 13 12.777 1.923 0.665 0.550 0.917 0.833 CB 1.197 13 residues pruned to eliminate duplicates Z: 19 10.293 1.879 0.528 0.316 0.889 0.500 CB 1.165 19 residues pruned to eliminate duplicates Z: 31 14.900 1.927 0.663 0.388 0.800 0.533 CB 1.195 31 residues pruned to eliminate duplicates Z: 19 8.868 1.870 0.494 0.413 0.778 0.556 CB 1.053 19 residues pruned to eliminate duplicates Z: 21 9.102 1.901 0.446 0.348 0.750 0.450 CB 1.164 21 residues pruned to eliminate duplicates Z: 19 8.622 1.791 0.669 0.281 0.778 0.500 CB 1.120 19 residues pruned to eliminate duplicates Z: 14 8.891 1.903 0.558 0.268 0.846 0.692 CB 1.279 14 residues pruned to eliminate duplicates Z: 12 7.498 1.885 0.561 0.280 0.909 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 10 9.938 1.718 0.312 0.649 1.000 0.889 CB 1.280 10 residues pruned to eliminate duplicates Z: 10 10.832 1.730 0.400 0.662 1.000 0.667 CB 1.283 10 residues pruned to eliminate duplicates Z: 9 10.797 1.735 0.282 0.775 1.000 0.625 CB 1.346 9 residues pruned to eliminate duplicates Z: 10 12.236 1.756 0.275 0.770 1.000 0.778 CB 1.434 10 residues pruned to eliminate duplicates Z: 10 13.039 1.696 0.366 0.924 1.000 0.778 CB 1.317 10 residues pruned to eliminate duplicates Z: 8 11.594 1.749 0.567 0.850 0.857 0.714 CB 1.382 8 residues pruned to eliminate duplicates Z: 11 10.317 1.611 0.445 0.700 0.900 0.700 N 1.298 11 residues pruned to eliminate duplicates Z: 11 8.820 1.646 0.465 0.622 0.900 0.700 CB 1.145 23 residues pruned to eliminate duplicates Z: 17 13.277 1.583 0.510 0.769 0.875 0.812 CB 1.250 15 residues pruned to eliminate duplicates Z: 14 8.172 1.538 0.270 0.782 0.846 0.769 CB 1.070 14 residues pruned to eliminate duplicates Z: 11 9.136 1.645 0.437 0.551 0.800 0.600 CB 1.454 11 residues pruned to eliminate duplicates Z: 18 11.427 1.644 0.379 0.569 0.941 0.706 CB 1.215 21 residues pruned to eliminate duplicates Z: 12 11.719 1.644 0.596 0.812 0.818 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 10 14.470 1.756 0.778 0.707 0.889 0.667 CB 1.440 10 residues pruned to eliminate duplicates Z: 12 8.689 1.716 0.548 0.604 0.818 0.636 CB 1.091 12 residues pruned to eliminate duplicates Z: 14 10.834 1.754 0.538 0.715 0.769 0.385 CB 1.192 14 residues pruned to eliminate duplicates Z: 17 9.135 1.715 0.358 0.649 0.750 0.500 CB 1.138 17 residues pruned to eliminate duplicates Z: 14 5.689 1.558 0.401 0.544 0.692 0.462 CB 1.000 14 residues pruned to eliminate duplicates Z: 8 4.844 1.666 0.579 0.579 0.571 0.286 CB 1.128 8 residues pruned to eliminate duplicates Z: 33 12.956 1.633 0.496 0.576 0.781 0.469 CB 1.115 33 residues pruned to eliminate duplicates Z: 17 9.156 1.661 0.415 0.607 0.812 0.250 CB 1.083 17 residues pruned to eliminate duplicates Z: 13 10.056 1.649 0.615 0.657 0.750 0.333 CB 1.257 13 residues pruned to eliminate duplicates Z: 15 8.711 1.562 0.368 0.644 0.929 0.714 CB 1.026 12 residues pruned to eliminate duplicates Z: 12 9.492 1.592 0.370 0.890 1.000 0.909 CB 0.944 12 residues pruned to eliminate duplicates Z: 15 10.494 1.622 0.219 0.758 0.929 0.571 CB 1.215 15 residues pruned to eliminate duplicates Z: 10 9.272 1.652 0.380 0.724 1.000 0.667 CB 1.108 10 residues pruned to eliminate duplicates Z: 8 10.092 1.675 0.332 0.652 1.000 0.857 CB 1.484 8 residues pruned to eliminate duplicates Z: 9 7.771 1.509 0.580 0.621 1.000 0.750 CB 1.028 9 residues pruned to eliminate duplicates Z: 10 11.809 1.672 0.608 0.787 1.000 0.889 CB 1.138 10 residues pruned to eliminate duplicates Z: 14 12.717 1.637 0.546 0.759 0.923 0.615 CB 1.200 14 residues pruned to eliminate duplicates Z: 13 11.669 1.668 0.623 0.776 0.833 0.667 CB 1.170 13 residues pruned to eliminate duplicates Z: 13 6.762 1.593 0.482 0.682 0.583 0.250 CB 1.200 13 residues pruned to eliminate duplicates Z: 12 11.677 1.621 0.651 0.797 0.909 0.818 CB 1.116 12 residues pruned to eliminate duplicates Z: 6 5.885 1.542 0.356 0.781 0.800 0.600 O 1.228 6 residues pruned to eliminate duplicates Z: 16 6.483 1.531 0.212 0.692 0.667 0.333 CB 1.135 16 residues pruned to eliminate duplicates Z: 13 12.416 1.616 0.571 0.776 1.000 0.750 CB 1.106 12 residues pruned to eliminate duplicates Z: 10 9.964 1.686 0.408 0.856 1.000 0.889 CB 1.031 10 residues pruned to eliminate duplicates Z: 13 8.006 1.650 0.267 0.741 0.833 0.750 CB 1.069 13 residues pruned to eliminate duplicates Z: 13 8.779 1.644 0.400 0.689 0.833 0.583 CB 1.111 13 residues pruned to eliminate duplicates Z: 6 9.140 1.698 0.679 0.559 1.000 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 6 8.737 1.748 0.832 0.829 0.800 0.600 CB 1.147 6 residues pruned to eliminate duplicates Z: 17 9.137 1.537 0.419 0.569 0.938 0.375 CB 1.045 16 residues pruned to eliminate duplicates Z: 9 6.323 1.669 0.762 0.716 0.750 0.375 CB 0.834 9 residues pruned to eliminate duplicates Z: 12 9.883 1.629 0.806 0.779 0.818 0.455 CB 0.968 12 residues pruned to eliminate duplicates Z: 13 9.441 1.640 0.538 0.441 0.833 0.417 O 1.378 9 residues pruned to eliminate duplicates Z: 11 15.796 1.746 0.644 0.848 1.000 0.900 CB 1.290 16 residues pruned to eliminate duplicates Z: 10 10.702 1.719 0.750 0.669 0.778 0.556 CB 1.304 10 residues pruned to eliminate duplicates Z: 11 11.999 1.675 0.569 0.776 0.900 0.400 CB 1.258 11 residues pruned to eliminate duplicates Z: 10 8.876 1.634 0.767 0.588 0.889 0.556 CB 1.059 10 residues pruned to eliminate duplicates Z: 13 11.198 1.575 0.951 0.594 0.750 0.667 CB 1.283 13 residues pruned to eliminate duplicates Z: 13 13.675 1.743 0.710 0.653 0.917 0.583 CB 1.254 13 residues pruned to eliminate duplicates Z: 12 16.099 1.758 0.788 0.706 1.000 0.727 CB 1.280 12 residues pruned to eliminate duplicates Z: 17 12.481 1.555 0.750 0.617 0.875 0.625 N 1.174 17 residues pruned to eliminate duplicates 8 1.227 1.626 0.387 0.079 0.286 0.000 O 1.245 ? Z: 10 5.038 1.590 0.751 0.569 0.556 0.333 N 1.016 10 residues pruned to eliminate duplicates Z: 8 4.310 1.701 0.222 0.493 0.714 0.571 CB 1.105 8 residues pruned to eliminate duplicates Z: 11 5.824 1.692 0.193 0.389 0.900 0.400 CB 1.140 11 residues pruned to eliminate duplicates Z: 14 7.139 1.615 0.166 0.844 0.923 0.615 CB 0.847 13 residues pruned to eliminate duplicates Z: 12 9.072 1.639 0.561 0.818 0.909 0.636 CB 0.893 12 residues pruned to eliminate duplicates Z: 11 8.271 1.714 0.504 0.738 0.800 0.700 CB 1.025 11 residues pruned to eliminate duplicates Z: 16 6.640 1.509 0.601 0.551 0.800 0.467 CB 0.844 16 residues pruned to eliminate duplicates Z: 11 8.552 1.646 0.562 0.835 0.900 0.800 CB 0.875 11 residues pruned to eliminate duplicates Z: 6 10.700 1.806 0.780 0.661 1.000 1.000 CB 1.282 6 residues pruned to eliminate duplicates Z: 10 7.278 1.712 0.556 0.886 1.000 1.000 CB 0.657 10 residues pruned to eliminate duplicates Z: 19 7.510 1.594 0.357 0.600 0.833 0.444 CB 0.892 12 residues pruned to eliminate duplicates Z: 6 2.665 1.569 -0.028 0.453 1.000 0.200 CB 0.820 Z: 14 9.006 1.853 0.684 0.486 0.692 0.462 CB 1.173 Z: 10 10.571 1.762 0.889 0.572 0.778 0.556 CB 1.271 10 residues pruned to eliminate duplicates Z: 41 14.770 1.816 0.688 0.301 0.725 0.450 CB 1.313 70 residues pruned to eliminate duplicates Z: 23 14.781 1.925 0.643 0.403 0.818 0.455 CB 1.349 Z: 8 10.681 1.838 0.750 0.738 0.714 0.429 CB 1.419 8 residues pruned to eliminate duplicates Z: 12 11.339 2.009 0.700 0.397 0.818 0.545 CB 1.364 12 residues pruned to eliminate duplicates Z: 21 10.816 1.815 0.574 0.440 0.800 0.400 CB 1.126 21 residues pruned to eliminate duplicates Z: 13 10.263 2.013 0.347 0.357 0.833 0.667 CB 1.530 13 residues pruned to eliminate duplicates Z: 37 13.707 1.855 0.545 0.342 0.750 0.611 CB 1.262 44 residues pruned to eliminate duplicates Z: 12 11.996 1.805 0.643 0.721 0.818 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 25 15.299 1.841 0.631 0.457 0.833 0.500 CB 1.304 25 residues pruned to eliminate duplicates Z: 39 12.922 1.902 0.442 0.304 0.711 0.500 CB 1.338 39 residues pruned to eliminate duplicates Z: 12 7.914 1.774 0.489 0.429 0.818 0.455 N 1.188 Z: 6 3.260 1.641 0.145 0.211 0.800 0.600 O 1.365 6 residues pruned to eliminate duplicates Z: 6 8.558 1.820 0.663 0.683 0.800 0.800 CB 1.336 6 residues pruned to eliminate duplicates Z: 7 5.575 1.496 0.792 0.346 0.833 0.000 O 1.205 7 residues pruned to eliminate duplicates Z: 10 5.902 1.683 0.607 0.329 0.778 0.333 CB 1.128 10 residues pruned to eliminate duplicates Z: 12 10.699 1.849 0.830 0.461 0.636 0.455 O 1.559 13 residues pruned to eliminate duplicates Z: 7 5.545 1.816 1.007 0.792 0.333 0.333 CB 1.441 7 residues pruned to eliminate duplicates Z: 6 8.705 1.795 0.782 0.722 0.800 0.200 N 1.246 6 residues pruned to eliminate duplicates Z: 7 5.826 1.771 0.604 0.636 0.667 0.500 N 1.105 6 residues pruned to eliminate duplicates Z: 6 6.564 1.737 0.727 0.467 0.800 0.600 N 1.265 6 residues pruned to eliminate duplicates Z: 7 5.822 1.732 0.985 0.628 0.667 0.500 CB 0.920 7 residues pruned to eliminate duplicates Z: 17 9.130 1.862 0.367 0.430 0.750 0.438 CB 1.286 16 residues pruned to eliminate duplicates 6 1.980 1.521 0.121 0.208 0.800 0.400 N 0.917 ? Z: 7 8.227 1.762 0.545 0.451 1.000 0.167 CB 1.298 Z: 8 5.359 1.411 1.080 0.340 0.857 0.571 CB 0.959 4 residues pruned to eliminate duplicates Z: 6 6.137 1.603 0.609 0.763 0.800 0.600 CB 1.053 6 residues pruned to eliminate duplicates Z: 9 5.279 1.460 0.389 0.474 0.875 0.375 CB 1.080 8 residues pruned to eliminate duplicates Z: 6 7.564 1.562 0.325 0.826 1.000 0.600 CB 1.232 6 residues pruned to eliminate duplicates Z: 19 10.070 1.589 0.678 0.476 0.833 0.389 CB 1.094 27 residues pruned to eliminate duplicates Z: 17 13.270 1.616 0.600 0.736 0.938 0.562 CB 1.107 17 residues pruned to eliminate duplicates Z: 8 6.128 1.757 0.562 0.564 0.571 0.286 CB 1.388 8 residues pruned to eliminate duplicates Z: 26 9.557 1.662 0.703 0.352 0.680 0.280 CB 1.166 26 residues pruned to eliminate duplicates Z: 9 9.549 1.690 0.572 0.498 0.875 0.125 O 1.456 9 residues pruned to eliminate duplicates Z: 13 12.219 1.726 0.877 0.506 0.750 0.167 CB 1.444 13 residues pruned to eliminate duplicates Z: 10 14.548 1.785 0.845 0.589 0.889 0.111 CB 1.521 10 residues pruned to eliminate duplicates Z: 20 11.741 1.710 0.923 0.611 0.684 0.158 CB 1.078 20 residues pruned to eliminate duplicates Z: 10 7.586 1.808 0.183 0.510 0.889 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 10 5.065 1.722 0.006 0.374 0.889 0.444 CB 1.255 10 residues pruned to eliminate duplicates Z: 10 8.533 1.716 0.478 0.505 1.000 0.333 N 1.115 10 residues pruned to eliminate duplicates Z: 21 11.944 1.614 0.536 0.566 0.800 0.450 CB 1.263 21 residues pruned to eliminate duplicates Z: 18 13.595 1.780 0.612 0.574 0.765 0.471 CB 1.399 18 residues pruned to eliminate duplicates Z: 21 11.014 1.753 0.389 0.500 0.750 0.450 CB 1.349 21 residues pruned to eliminate duplicates Z: 8 2.648 1.739 0.112 0.085 0.714 0.429 CB 1.239 8 residues pruned to eliminate duplicates Z: 19 14.953 1.718 0.543 0.762 0.889 0.833 CB 1.186 19 residues pruned to eliminate duplicates Z: 25 7.768 1.686 0.467 0.243 0.833 0.458 CB 1.036 26 residues pruned to eliminate duplicates Z: 16 21.522 1.796 0.703 0.858 0.933 0.733 CB 1.433 16 residues pruned to eliminate duplicates Z: 21 9.294 1.671 0.502 0.286 0.800 0.350 CB 1.317 21 residues pruned to eliminate duplicates Z: 15 8.122 1.701 0.178 0.426 0.857 0.286 CB 1.365 15 residues pruned to eliminate duplicates Z: 24 8.963 1.753 0.440 0.439 0.826 0.348 CB 0.955 24 residues pruned to eliminate duplicates Z: 9 6.499 1.792 0.423 0.706 0.750 0.625 CB 0.996 9 residues pruned to eliminate duplicates Z: 22 9.929 1.727 0.518 0.489 0.857 0.619 CB 0.975 22 residues pruned to eliminate duplicates Z: 17 11.325 1.779 0.486 0.490 0.875 0.500 CB 1.236 17 residues pruned to eliminate duplicates Z: 26 9.423 1.660 0.577 0.424 0.760 0.400 CB 1.025 23 residues pruned to eliminate duplicates Z: 15 16.235 1.780 0.696 0.825 0.929 0.786 CB 1.168 17 residues pruned to eliminate duplicates Z: 16 17.954 1.748 0.712 0.842 0.867 0.733 CB 1.331 16 residues pruned to eliminate duplicates Z: 11 6.570 1.637 0.579 0.541 0.700 0.600 CB 1.103 11 residues pruned to eliminate duplicates Z: 6 4.665 1.890 0.610 0.374 0.600 0.200 CB 1.308 5 residues pruned to eliminate duplicates Z: 16 17.367 1.752 0.701 0.753 0.933 0.533 CB 1.287 16 residues pruned to eliminate duplicates Z: 39 22.243 1.837 0.660 0.560 0.816 0.500 CB 1.369 40 residues pruned to eliminate duplicates Z: 15 11.506 1.783 0.655 0.648 0.929 0.786 CB 0.978 13 residues pruned to eliminate duplicates Z: 6 5.110 1.273 0.987 0.366 1.000 0.800 N 1.044 6 residues pruned to eliminate duplicates Z: 7 12.255 1.833 0.937 0.611 1.000 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 18 18.172 1.784 0.590 0.750 1.000 0.765 CB 1.243 18 residues pruned to eliminate duplicates Z: 20 12.626 1.721 0.822 0.481 0.789 0.474 CB 1.192 20 residues pruned to eliminate duplicates Z: 24 16.034 1.791 0.697 0.518 0.870 0.565 CB 1.243 24 residues pruned to eliminate duplicates Z: 14 16.720 1.825 0.977 0.654 0.846 0.615 N 1.316 14 residues pruned to eliminate duplicates Z: 13 17.925 1.909 1.197 0.565 0.833 0.417 CB 1.391 13 residues pruned to eliminate duplicates Z: 16 15.986 1.883 0.983 0.577 0.933 0.733 CB 1.100 16 residues pruned to eliminate duplicates Z: 22 18.835 1.756 0.831 0.645 0.810 0.524 CB 1.379 22 residues pruned to eliminate duplicates Z: 20 23.355 1.901 0.944 0.693 0.895 0.579 CB 1.358 20 residues pruned to eliminate duplicates Z: 21 21.425 1.863 0.770 0.664 0.900 0.700 CB 1.387 31 residues pruned to eliminate duplicates Z: 14 27.176 1.927 0.857 0.908 1.000 0.923 CB 1.496 14 residues pruned to eliminate duplicates Z: 16 25.260 1.970 0.704 0.849 1.000 0.800 CB 1.440 16 residues pruned to eliminate duplicates Z: 22 16.201 1.826 0.717 0.582 0.952 0.476 CB 1.094 22 residues pruned to eliminate duplicates Z: 11 5.063 1.788 0.190 0.390 0.800 0.300 CB 1.057 8 residues pruned to eliminate duplicates Z: 15 26.767 1.959 0.823 0.866 1.000 0.714 CB 1.467 19 residues pruned to eliminate duplicates Z: 16 27.831 1.920 0.912 0.889 1.000 0.867 CB 1.409 16 residues pruned to eliminate duplicates Z: 18 27.611 1.912 0.927 0.806 0.941 0.529 CB 1.479 18 residues pruned to eliminate duplicates Z: 13 17.924 1.772 0.705 0.719 0.917 0.833 O 1.532 9 residues pruned to eliminate duplicates Z: 9 13.482 1.927 0.558 0.741 0.875 0.625 O 1.462 9 residues pruned to eliminate duplicates Z: 14 7.148 1.679 0.504 0.351 0.769 0.538 CB 1.199 24 residues pruned to eliminate duplicates Z: 8 18.814 1.906 0.841 0.856 1.000 0.571 CB 1.495 8 residues pruned to eliminate duplicates Z: 12 12.549 1.919 0.659 0.646 0.909 0.545 CB 1.140 12 residues pruned to eliminate duplicates Z: 16 10.283 1.822 0.190 0.478 1.000 0.800 CB 1.251 16 residues pruned to eliminate duplicates Z: 12 14.550 1.885 0.599 0.652 1.000 0.909 CB 1.263 12 residues pruned to eliminate duplicates Z: 12 15.954 1.917 0.476 0.671 1.000 0.818 CB 1.452 12 residues pruned to eliminate duplicates Z: 15 14.501 1.837 0.705 0.561 1.000 0.500 CB 1.167 15 residues pruned to eliminate duplicates Z: 16 14.454 1.687 0.777 0.647 0.933 0.800 CB 1.163 16 residues pruned to eliminate duplicates Z: 9 6.019 1.425 0.389 0.731 0.875 0.125 CB 0.998 Z: 7 2.446 1.443 0.819 0.770 0.833 0.333 CB 0.359 7 residues pruned to eliminate duplicates Z: 6 2.953 1.473 0.590 0.806 1.000 0.800 CB 0.432 6 residues pruned to eliminate duplicates Z: 7 5.353 1.493 0.720 0.731 0.833 0.667 CB 0.830 7 residues pruned to eliminate duplicates Z: 9 6.408 1.443 0.613 0.844 1.000 0.875 CB 0.724 14 residues pruned to eliminate duplicates Z: 10 7.884 1.443 0.541 0.890 1.000 0.778 CB 0.850 10 residues pruned to eliminate duplicates Z: 11 6.172 1.507 0.478 0.780 0.800 0.700 CB 0.855 11 residues pruned to eliminate duplicates Z: 7 2.517 1.623 -0.006 0.468 0.667 0.333 CB 0.988 Z: 6 3.467 1.711 0.355 0.647 0.600 0.200 CB 0.972 5 residues pruned to eliminate duplicates Z: 12 7.536 1.447 0.763 0.626 0.727 0.455 CB 1.087 8 residues pruned to eliminate duplicates Z: 7 2.770 1.614 0.494 0.594 0.500 0.500 CB 0.857 7 residues pruned to eliminate duplicates Z: 9 3.889 1.567 0.364 0.462 0.625 0.375 CB 1.070 9 residues pruned to eliminate duplicates Z: 9 4.807 1.490 0.864 0.635 0.750 0.000 CB 0.718 6 residues pruned to eliminate duplicates Z: 13 8.708 1.503 0.589 0.865 0.833 0.667 CB 0.925 13 residues pruned to eliminate duplicates Z: 9 10.098 1.626 0.478 0.868 0.875 0.750 CB 1.241 9 residues pruned to eliminate duplicates Z: 11 9.373 1.638 0.413 0.619 1.000 0.400 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 10.036 1.539 0.319 0.701 1.000 0.545 CB 1.240 12 residues pruned to eliminate duplicates Z: 11 5.664 1.524 0.170 0.509 0.800 0.400 O 1.244 11 residues pruned to eliminate duplicates Z: 13 4.135 1.471 0.046 0.481 0.667 0.333 CB 1.186 13 residues pruned to eliminate duplicates Z: 11 3.751 1.432 0.114 0.380 0.800 0.300 N 1.057 Z: 13 14.061 1.538 0.696 0.870 1.000 0.750 CB 1.136 21 residues pruned to eliminate duplicates Z: 6 5.848 1.462 0.214 0.865 1.000 0.800 O 1.079 6 residues pruned to eliminate duplicates Z: 11 9.751 1.605 0.412 0.696 1.000 0.600 CB 1.138 10 residues pruned to eliminate duplicates Z: 9 11.618 1.602 0.607 0.812 1.000 0.750 N 1.215 9 residues pruned to eliminate duplicates Z: 9 11.539 1.649 0.722 0.827 1.000 0.875 N 1.082 9 residues pruned to eliminate duplicates Z: 8 14.560 1.723 0.848 0.852 1.000 0.857 N 1.279 9 residues pruned to eliminate duplicates Z: 9 9.360 1.564 0.758 0.822 0.875 0.875 N 1.041 9 residues pruned to eliminate duplicates Z: 11 8.948 1.634 0.428 0.600 0.900 0.600 CB 1.225 11 residues pruned to eliminate duplicates Z: 10 6.123 1.595 0.399 0.380 0.778 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 6 2.574 1.400 0.428 0.295 0.600 0.200 CB 1.207 Z: 7 2.952 1.521 0.269 0.480 0.667 0.500 CB 0.955 3 residues pruned to eliminate duplicates Z: 7 3.703 1.394 0.219 0.549 1.000 0.667 CB 0.847 5 residues pruned to eliminate duplicates Z: 6 3.980 1.386 0.339 0.663 0.800 0.600 CB 1.031 6 residues pruned to eliminate duplicates Z: 12 2.028 1.502 0.166 0.195 0.455 0.273 CB 1.106 12 residues pruned to eliminate duplicates Z: 6 4.968 1.677 0.246 0.631 0.800 0.400 CB 1.175 6 residues pruned to eliminate duplicates Z: 6 5.286 1.751 0.353 0.626 0.800 0.400 CB 1.108 6 residues pruned to eliminate duplicates Z: 9 6.315 1.639 0.398 0.593 0.875 0.750 CB 1.019 12 residues pruned to eliminate duplicates Z: 6 5.200 1.660 0.149 0.763 1.000 0.600 CB 0.965 14 residues pruned to eliminate duplicates Z: 8 8.365 1.622 0.710 0.821 1.000 0.857 CB 0.863 8 residues pruned to eliminate duplicates Z: 11 14.587 1.560 0.905 0.853 1.000 0.800 CB 1.147 11 residues pruned to eliminate duplicates Z: 10 9.579 1.623 0.784 0.743 0.889 0.556 CB 0.998 10 residues pruned to eliminate duplicates Z: 9 7.487 1.646 0.809 0.760 0.750 0.500 CB 0.940 9 residues pruned to eliminate duplicates Z: 8 9.226 1.696 0.514 0.816 1.000 0.714 CB 1.032 8 residues pruned to eliminate duplicates Z: 9 9.170 1.672 0.468 0.767 1.000 0.625 CB 1.043 9 residues pruned to eliminate duplicates Z: 8 5.552 1.682 0.355 0.812 0.714 0.571 CB 0.982 8 residues pruned to eliminate duplicates Z: 10 7.849 1.593 0.869 0.817 0.778 0.444 CB 0.858 10 residues pruned to eliminate duplicates Z: 11 8.495 1.613 0.672 0.797 0.800 0.300 CB 0.960 11 residues pruned to eliminate duplicates Z: 9 3.704 1.634 0.436 0.403 0.625 0.500 CB 0.988 Z: 14 18.218 1.764 0.717 0.865 1.000 0.692 CB 1.222 14 residues pruned to eliminate duplicates Z: 11 9.187 1.599 0.540 0.556 0.900 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 9 8.273 1.713 0.559 0.733 0.875 0.750 CB 1.016 9 residues pruned to eliminate duplicates Z: 38 13.321 1.743 0.506 0.496 0.838 0.486 CB 1.000 45 residues pruned to eliminate duplicates Z: 8 6.358 1.720 0.610 0.549 0.857 0.429 CB 0.965 8 residues pruned to eliminate duplicates Z: 9 8.677 1.587 0.943 0.767 0.750 0.625 CB 1.047 9 residues pruned to eliminate duplicates Z: 21 12.663 1.750 0.600 0.518 0.800 0.600 CB 1.241 21 residues pruned to eliminate duplicates Z: 15 15.859 1.836 0.512 0.776 1.000 0.500 CB 1.197 15 residues pruned to eliminate duplicates Z: 15 18.862 1.773 0.643 0.841 1.000 0.857 CB 1.290 15 residues pruned to eliminate duplicates Z: 16 16.244 1.716 0.679 0.855 0.933 0.667 CB 1.152 16 residues pruned to eliminate duplicates Z: 11 5.916 1.473 0.635 0.413 0.800 0.400 CB 1.063 Z: 6 2.201 1.440 0.580 0.721 0.800 0.600 CB 0.443 9 residues pruned to eliminate duplicates Z: 6 5.249 1.633 -0.041 0.587 1.000 0.400 CB 1.380 5 residues pruned to eliminate duplicates Z: 9 7.801 1.523 0.662 0.588 0.875 0.375 CB 1.144 9 residues pruned to eliminate duplicates Z: 12 5.508 1.453 0.584 0.320 0.727 0.364 CB 1.211 12 residues pruned to eliminate duplicates Z: 7 6.841 1.516 0.936 0.806 0.667 0.333 CB 1.093 7 residues pruned to eliminate duplicates Z: 7 4.343 1.334 0.980 0.705 0.500 0.333 CB 1.114 Z: 10 12.893 1.943 0.267 0.879 1.000 0.889 CB 1.265 10 residues pruned to eliminate duplicates Z: 12 15.480 1.786 0.529 0.848 1.000 0.818 O 1.267 12 residues pruned to eliminate duplicates Z: 11 13.156 1.875 0.195 0.875 1.000 1.000 CB 1.350 12 residues pruned to eliminate duplicates Z: 10 11.283 1.769 0.405 0.791 0.889 0.667 CB 1.318 10 residues pruned to eliminate duplicates Z: 10 5.690 1.825 0.216 0.623 0.778 0.556 CB 0.978 10 residues pruned to eliminate duplicates Z: 8 12.984 1.935 0.496 0.745 1.000 1.000 CB 1.362 8 residues pruned to eliminate duplicates Z: 8 11.450 1.903 0.310 0.806 1.000 0.714 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 12.719 1.867 0.530 0.685 1.000 0.857 CB 1.420 8 residues pruned to eliminate duplicates Z: 24 23.353 1.946 0.774 0.679 0.913 0.652 CB 1.310 22 residues pruned to eliminate duplicates Z: 6 4.293 1.257 0.672 0.397 1.000 0.400 CA 1.019 6 residues pruned to eliminate duplicates Z: 28 17.881 1.870 0.825 0.571 0.778 0.519 CB 1.210 28 residues pruned to eliminate duplicates Z: 21 20.861 2.015 0.691 0.681 0.850 0.800 CB 1.364 21 residues pruned to eliminate duplicates Z: 23 19.210 1.937 0.790 0.659 0.864 0.636 CB 1.180 23 residues pruned to eliminate duplicates Z: 7 10.605 1.719 0.553 0.647 1.000 0.833 CB 1.415 7 residues pruned to eliminate duplicates Z: 7 7.743 1.687 0.615 0.596 0.833 0.500 O 1.270 7 residues pruned to eliminate duplicates Z: 10 6.402 1.643 0.507 0.511 0.778 0.444 CB 1.097 10 residues pruned to eliminate duplicates Z: 9 6.905 1.676 0.481 0.501 0.875 0.375 CB 1.123 9 residues pruned to eliminate duplicates Z: 18 8.725 1.706 0.348 0.340 0.824 0.294 O 1.330 18 residues pruned to eliminate duplicates Z: 6 7.907 1.722 0.606 0.556 1.000 0.600 N 1.210 6 residues pruned to eliminate duplicates Z: 6 4.712 1.504 0.859 0.440 1.000 0.400 CB 0.802 6 residues pruned to eliminate duplicates Z: 14 11.264 1.792 0.445 0.443 0.923 0.615 CB 1.385 24 residues pruned to eliminate duplicates Z: 6 4.664 1.508 0.225 0.401 1.000 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 10 5.290 1.595 0.283 0.264 0.889 0.556 N 1.270 8 residues pruned to eliminate duplicates Z: 11 4.455 1.586 0.248 0.711 0.800 0.400 CB 0.735 9 residues pruned to eliminate duplicates Z: 12 6.820 1.606 0.353 0.605 0.727 0.364 CB 1.177 15 residues pruned to eliminate duplicates Z: 9 6.385 1.584 0.328 0.829 0.875 0.625 CB 0.923 9 residues pruned to eliminate duplicates Z: 9 3.877 1.738 0.394 0.569 0.625 0.500 CB 0.847 9 residues pruned to eliminate duplicates Z: 24 11.831 1.767 0.516 0.373 0.826 0.478 CB 1.277 29 residues pruned to eliminate duplicates Z: 8 5.241 1.597 0.374 0.560 0.714 0.429 CB 1.192 8 residues pruned to eliminate duplicates Z: 22 8.338 1.719 0.272 0.360 0.762 0.429 CB 1.269 22 residues pruned to eliminate duplicates Z: 6 5.350 1.635 0.074 0.687 1.000 0.400 CB 1.149 6 residues pruned to eliminate duplicates Z: 8 9.315 1.607 0.410 0.809 1.000 0.571 CB 1.187 8 residues pruned to eliminate duplicates Z: 6 5.739 1.672 -0.035 0.722 1.000 0.800 CB 1.301 6 residues pruned to eliminate duplicates Z: 8 3.208 1.562 0.222 0.484 0.714 0.286 CB 0.904 7 residues pruned to eliminate duplicates Z: 13 14.815 1.786 0.751 0.751 0.917 0.417 CB 1.192 13 residues pruned to eliminate duplicates Z: 21 12.112 1.787 0.621 0.502 0.850 0.450 CB 1.098 22 residues pruned to eliminate duplicates Z: 13 6.909 1.683 0.556 0.703 0.750 0.417 CB 0.844 13 residues pruned to eliminate duplicates Z: 12 11.658 1.775 0.721 0.696 0.727 0.455 CB 1.323 12 residues pruned to eliminate duplicates Z: 11 6.822 1.740 0.869 0.707 0.500 0.400 CB 1.099 11 residues pruned to eliminate duplicates Z: 13 13.334 1.789 0.695 0.752 0.833 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 13 10.045 1.778 0.805 0.711 0.750 0.333 CB 0.995 13 residues pruned to eliminate duplicates Z: 6 15.778 1.906 1.143 0.792 1.000 0.800 CB 1.337 6 residues pruned to eliminate duplicates Z: 12 12.519 1.895 0.787 0.770 0.727 0.545 CB 1.207 12 residues pruned to eliminate duplicates Z: 11 14.155 1.861 0.929 0.786 0.800 0.600 CB 1.212 11 residues pruned to eliminate duplicates Z: 21 15.449 1.841 0.424 0.626 0.850 0.650 CB 1.376 21 residues pruned to eliminate duplicates Z: 23 11.687 1.763 0.445 0.561 0.773 0.455 CB 1.192 23 residues pruned to eliminate duplicates Z: 21 14.018 1.748 0.696 0.614 0.850 0.600 CB 1.116 21 residues pruned to eliminate duplicates Z: 22 13.624 1.790 0.656 0.507 0.810 0.429 CB 1.229 22 residues pruned to eliminate duplicates Z: 8 5.068 1.560 0.818 0.366 0.714 0.286 CB 1.092 8 residues pruned to eliminate duplicates Z: 21 11.212 1.800 0.465 0.593 0.800 0.400 CB 1.088 21 residues pruned to eliminate duplicates Z: 21 13.180 1.825 0.520 0.575 0.900 0.400 CB 1.098 21 residues pruned to eliminate duplicates Z: 11 3.501 1.365 0.132 0.327 0.800 0.400 CB 1.084 6 residues pruned to eliminate duplicates Z: 14 15.300 1.893 0.574 0.898 1.000 0.923 CB 1.018 14 residues pruned to eliminate duplicates Z: 37 15.653 1.734 0.553 0.430 0.722 0.361 N 1.441 36 residues pruned to eliminate duplicates Z: 10 9.936 1.742 0.575 0.808 0.889 0.667 CB 1.038 10 residues pruned to eliminate duplicates Z: 9 9.194 1.863 0.636 0.687 0.750 0.625 CB 1.198 10 residues pruned to eliminate duplicates Z: 18 18.739 1.771 0.703 0.903 1.000 0.706 CB 1.074 18 residues pruned to eliminate duplicates Z: 18 15.261 1.879 0.641 0.592 0.941 0.706 CB 1.168 18 residues pruned to eliminate duplicates Z: 14 13.740 1.927 0.931 0.664 0.769 0.692 CB 1.144 14 residues pruned to eliminate duplicates Z: 15 17.646 1.918 0.757 0.696 0.857 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 19 16.801 1.891 0.673 0.579 0.944 0.556 CB 1.228 19 residues pruned to eliminate duplicates Z: 16 16.397 1.940 0.660 0.674 1.000 0.667 CB 1.120 16 residues pruned to eliminate duplicates Z: 18 16.926 1.891 0.709 0.619 0.941 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 20 12.327 1.910 0.592 0.511 0.737 0.579 CB 1.249 20 residues pruned to eliminate duplicates Z: 26 11.410 1.891 0.344 0.429 0.800 0.480 CB 1.209 26 residues pruned to eliminate duplicates Z: 27 16.890 1.833 0.778 0.420 0.846 0.538 CB 1.306 27 residues pruned to eliminate duplicates Z: 28 15.905 1.829 0.761 0.517 0.852 0.556 CB 1.097 28 residues pruned to eliminate duplicates Z: 43 23.397 1.889 0.720 0.531 0.905 0.595 CB 1.192 43 residues pruned to eliminate duplicates Z: 25 13.255 1.831 0.559 0.463 0.875 0.542 CB 1.125 25 residues pruned to eliminate duplicates Z: 15 11.287 1.835 0.577 0.353 0.857 0.500 CB 1.427 15 residues pruned to eliminate duplicates Z: 28 16.940 1.855 0.754 0.499 0.852 0.667 CB 1.177 28 residues pruned to eliminate duplicates Z: 24 12.606 1.817 0.611 0.315 0.913 0.348 CB 1.206 24 residues pruned to eliminate duplicates Z: 12 5.504 1.714 0.404 0.255 0.818 0.364 CB 1.117 12 residues pruned to eliminate duplicates Z: 28 15.461 1.860 0.647 0.469 0.815 0.519 CB 1.230 28 residues pruned to eliminate duplicates Z: 10 10.291 1.621 0.731 0.611 0.889 0.556 CB 1.238 Z: 15 18.171 1.864 0.404 0.895 1.000 0.857 O 1.329 10 residues pruned to eliminate duplicates Z: 16 19.522 1.826 0.502 0.902 1.000 0.867 CB 1.311 15 residues pruned to eliminate duplicates Z: 15 21.411 1.883 0.666 0.878 1.000 0.714 CB 1.325 16 residues pruned to eliminate duplicates Z: 14 19.841 1.903 0.536 0.894 1.000 0.846 CB 1.350 14 residues pruned to eliminate duplicates Z: 15 23.194 1.880 0.813 0.841 1.000 0.714 CB 1.356 15 residues pruned to eliminate duplicates Z: 16 18.348 1.801 0.531 0.899 0.933 0.867 CB 1.316 16 residues pruned to eliminate duplicates Z: 18 19.769 1.870 0.477 0.792 1.000 0.647 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 21.683 1.898 0.662 0.887 1.000 0.786 CB 1.325 18 residues pruned to eliminate duplicates Z: 15 19.681 1.893 0.578 0.846 1.000 0.643 CB 1.307 15 residues pruned to eliminate duplicates Z: 21 16.634 1.800 0.669 0.634 0.900 0.650 CB 1.213 21 residues pruned to eliminate duplicates Z: 23 15.248 1.822 0.511 0.582 0.818 0.545 CB 1.334 17 residues pruned to eliminate duplicates Z: 15 24.016 1.919 0.691 0.928 1.000 0.929 CB 1.385 15 residues pruned to eliminate duplicates 6 1.124 1.241 -0.266 0.470 1.000 0.600 CB 0.569 ? Z: 12 12.926 1.674 0.536 0.871 0.909 0.727 CB 1.217 12 residues pruned to eliminate duplicates Z: 11 14.422 1.676 0.898 0.863 0.900 0.900 CB 1.169 11 residues pruned to eliminate duplicates Z: 13 13.397 1.624 0.486 0.841 0.917 0.750 CB 1.303 12 residues pruned to eliminate duplicates Z: 12 15.150 1.697 0.745 0.775 0.909 0.636 CB 1.331 12 residues pruned to eliminate duplicates Z: 9 11.745 1.646 0.453 0.893 1.000 0.875 CB 1.246 9 residues pruned to eliminate duplicates Z: 9 8.243 1.629 0.375 0.840 0.875 0.750 CB 1.110 9 residues pruned to eliminate duplicates Z: 12 10.674 1.657 0.599 0.760 0.909 0.727 CB 1.060 12 residues pruned to eliminate duplicates Z: 11 9.815 1.635 0.479 0.795 0.900 0.700 CB 1.102 11 residues pruned to eliminate duplicates Z: 11 12.387 1.705 0.694 0.683 0.900 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 11 11.290 1.668 0.578 0.817 0.900 0.800 CB 1.144 11 residues pruned to eliminate duplicates Z: 12 12.148 1.659 0.704 0.711 0.909 0.636 CB 1.177 12 residues pruned to eliminate duplicates Z: 6 3.791 1.472 0.406 0.373 0.800 0.400 CB 1.173 Z: 6 5.779 1.577 0.485 0.694 0.800 0.200 CB 1.156 7 residues pruned to eliminate duplicates Z: 7 5.040 1.403 0.492 0.693 0.833 0.333 CB 0.989 7 residues pruned to eliminate duplicates Z: 9 6.365 1.425 0.319 0.576 1.000 0.250 CB 1.113 15 residues pruned to eliminate duplicates Z: 6 7.205 1.598 0.412 0.818 0.800 0.400 CB 1.354 6 residues pruned to eliminate duplicates Z: 7 8.392 1.591 0.677 0.667 0.833 0.500 CB 1.320 8 residues pruned to eliminate duplicates 961 residues left after pruning, divided into chains as follows: A: 7 B: 10 C: 6 D: 7 E: 9 F: 16 G: 14 H: 9 I: 15 J: 32 K: 55 L: 55 M: 25 N: 10 O: 87 P: 16 Q: 14 R: 13 S: 20 T: 61 U: 7 V: 12 W: 19 X: 96 Y: 11 Z: 10 Z: 12 Z: 15 Z: 9 Z: 12 Z: 8 Z: 11 Z: 21 Z: 11 Z: 25 Z: 23 Z: 29 Z: 13 Z: 11 Z: 51 Z: 16 Z: 7 Z: 25 Z: 26 CC for partial structure against native data = 35.73 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.541, Connect. = 0.728 for dens.mod. cycle 1 = 0.300, Contrast = 0.629, Connect. = 0.750 for dens.mod. cycle 2 = 0.300, Contrast = 0.739, Connect. = 0.772 for dens.mod. cycle 3 = 0.300, Contrast = 0.757, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.770, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.776, Connect. = 0.775 for dens.mod. cycle 6 = 0.300, Contrast = 0.781, Connect. = 0.777 for dens.mod. cycle 7 = 0.300, Contrast = 0.783, Connect. = 0.778 for dens.mod. cycle 8 = 0.300, Contrast = 0.785, Connect. = 0.779 for dens.mod. cycle 9 = 0.300, Contrast = 0.784, Connect. = 0.779 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3811 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 1000 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 12.752 1.900 0.606 0.782 1.000 0.500 CB 1.331 B: 28 32.409 1.857 0.832 0.877 1.000 0.889 CB 1.332 C: 17 8.335 1.829 0.483 0.328 0.688 0.438 N 1.349 D: 9 6.418 1.839 0.435 0.388 0.875 0.500 CB 1.106 E: 16 10.911 1.867 0.388 0.618 0.733 0.600 CB 1.326 9 residues pruned to eliminate duplicates F: 17 31.860 1.990 1.008 0.843 0.938 0.625 CB 1.584 G: 26 10.298 1.890 0.460 0.267 0.800 0.320 CB 1.217 12 residues pruned to eliminate duplicates H: 10 8.374 1.757 0.649 0.886 0.889 0.667 CB 0.782 I: 14 23.881 1.876 0.635 0.886 1.000 0.692 CB 1.558 J: 12 10.203 1.812 0.559 0.387 0.818 0.364 CB 1.500 K: 16 26.541 1.967 0.870 0.883 0.867 0.667 CB 1.554 17 residues pruned to eliminate duplicates L: 23 14.756 1.876 0.404 0.590 0.909 0.727 CB 1.205 M: 15 30.808 2.060 0.976 0.887 0.929 0.786 CB 1.571 15 residues pruned to eliminate duplicates N: 24 15.523 1.869 0.661 0.603 0.826 0.522 CB 1.144 O: 7 4.749 1.771 0.724 0.248 0.667 0.500 N 1.274 8 residues pruned to eliminate duplicates P: 6 6.096 1.699 0.276 0.743 1.000 0.800 O 1.012 Q: 43 21.687 1.989 0.662 0.452 0.833 0.500 CB 1.277 31 residues pruned to eliminate duplicates R: 10 11.514 1.898 0.327 0.879 1.000 1.000 CB 1.105 S: 21 27.122 2.005 0.564 0.877 1.000 0.750 CB 1.406 21 residues pruned to eliminate duplicates T: 16 31.178 2.001 1.050 0.878 0.867 0.667 CB 1.643 16 residues pruned to eliminate duplicates U: 13 16.290 1.837 0.320 0.890 1.000 0.750 CB 1.396 13 residues pruned to eliminate duplicates V: 14 11.153 1.710 0.645 0.715 0.769 0.462 CB 1.177 W: 20 6.795 1.635 0.295 0.301 0.842 0.526 CB 1.093 X: 8 10.215 1.980 0.670 0.696 0.857 0.714 CB 1.140 8 residues pruned to eliminate duplicates Y: 13 15.347 1.827 0.594 0.895 1.000 1.000 CB 1.091 Z: 13 20.787 1.833 0.823 0.862 1.000 0.833 CB 1.318 Z: 20 28.822 2.056 0.632 0.887 1.000 0.895 CB 1.421 20 residues pruned to eliminate duplicates Z: 30 16.184 1.773 0.462 0.545 0.897 0.414 CB 1.237 Z: 18 24.944 1.941 0.604 0.899 1.000 0.941 CB 1.389 14 residues pruned to eliminate duplicates Z: 26 12.143 1.889 0.556 0.416 0.760 0.480 CB 1.186 8 residues pruned to eliminate duplicates Z: 10 6.527 1.552 0.796 0.489 0.889 0.444 CB 0.888 Z: 12 23.229 2.006 0.911 0.808 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 11 9.663 1.685 0.574 0.877 0.900 0.900 CB 0.930 Z: 6 2.217 1.520 0.201 0.407 0.600 0.400 CB 0.998 Z: 13 9.870 1.774 0.538 0.789 0.667 0.250 CB 1.216 Z: 16 9.687 1.846 0.523 0.328 0.800 0.333 CB 1.343 16 residues pruned to eliminate duplicates Z: 6 3.992 1.610 0.981 0.288 0.800 0.600 CB 0.888 Z: 18 10.428 1.741 0.501 0.489 0.824 0.647 CB 1.189 18 residues pruned to eliminate duplicates Z: 13 12.473 1.857 0.657 0.821 0.667 0.500 O 1.328 13 residues pruned to eliminate duplicates Z: 12 5.722 1.716 0.679 0.323 0.818 0.455 CB 0.889 Z: 8 9.750 1.865 0.501 0.840 1.000 0.714 CB 0.982 Z: 19 24.064 1.894 0.617 0.917 1.000 1.000 CB 1.307 19 residues pruned to eliminate duplicates Z: 10 13.465 1.905 0.420 0.890 1.000 1.000 CB 1.194 10 residues pruned to eliminate duplicates Z: 13 11.760 1.637 0.282 0.870 1.000 0.833 CB 1.181 Z: 29 15.454 1.920 0.384 0.611 0.750 0.714 CB 1.319 27 residues pruned to eliminate duplicates Z: 19 21.200 1.927 0.698 0.788 0.833 0.722 CB 1.422 19 residues pruned to eliminate duplicates Z: 7 6.007 1.800 0.918 0.390 0.667 0.333 CB 1.197 7 residues pruned to eliminate duplicates Z: 15 16.351 1.920 0.902 0.541 0.929 0.643 CB 1.238 12 residues pruned to eliminate duplicates Z: 7 2.159 1.477 0.631 0.640 0.667 0.500 CB 0.481 5 residues pruned to eliminate duplicates Z: 13 16.504 1.823 0.552 0.868 1.000 0.833 CB 1.230 13 residues pruned to eliminate duplicates Z: 6 2.697 1.420 0.640 0.294 0.600 0.400 CB 1.086 Z: 15 16.138 1.921 0.393 0.889 0.929 0.714 CB 1.250 Z: 13 13.690 1.859 0.357 0.843 0.917 0.750 CB 1.273 13 residues pruned to eliminate duplicates Z: 6 11.470 2.017 0.561 0.776 1.000 0.600 CB 1.276 7 residues pruned to eliminate duplicates Z: 12 9.452 1.874 0.459 0.412 0.818 0.455 CB 1.396 12 residues pruned to eliminate duplicates Z: 12 10.942 1.744 0.329 0.797 0.818 0.636 CB 1.341 Z: 32 10.860 1.733 0.478 0.470 0.742 0.387 CB 1.058 16 residues pruned to eliminate duplicates Z: 13 12.844 1.967 0.817 0.812 1.000 0.583 CB 0.791 13 residues pruned to eliminate duplicates Z: 8 12.301 1.750 0.545 0.786 1.000 0.571 CB 1.337 Z: 14 24.443 2.094 0.498 0.883 1.000 1.000 CB 1.563 14 residues pruned to eliminate duplicates Z: 29 19.703 1.897 0.627 0.595 0.857 0.500 CB 1.285 32 residues pruned to eliminate duplicates 7 1.985 1.455 0.302 0.544 0.667 0.667 CB 0.615 ? Z: 14 9.352 1.641 0.426 0.519 0.923 0.538 CB 1.179 Z: 21 19.802 1.852 0.832 0.878 0.950 0.800 CB 0.997 19 residues pruned to eliminate duplicates Z: 8 5.231 1.743 0.392 0.450 0.714 0.286 N 1.200 Z: 6 5.301 1.740 0.330 0.544 0.800 0.200 N 1.227 Z: 9 12.142 1.868 0.453 0.829 0.875 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 30 12.563 1.859 0.479 0.366 0.828 0.483 CB 1.184 30 residues pruned to eliminate duplicates Z: 10 5.502 1.657 0.121 0.476 0.778 0.556 O 1.300 Z: 13 11.081 1.728 0.695 0.396 0.833 0.333 CB 1.462 8 residues pruned to eliminate duplicates Z: 40 23.599 1.848 0.623 0.668 0.872 0.590 CB 1.238 70 residues pruned to eliminate duplicates Z: 12 6.991 1.813 0.973 0.855 0.909 0.818 CB 0.478 Z: 12 19.315 1.904 0.783 0.868 1.000 0.818 CB 1.253 12 residues pruned to eliminate duplicates Z: 17 15.937 1.807 0.465 0.845 1.000 0.750 CB 1.119 17 residues pruned to eliminate duplicates Z: 8 2.570 1.424 0.289 0.330 0.571 0.429 O 1.115 8 residues pruned to eliminate duplicates Z: 15 18.277 1.754 1.004 0.765 0.857 0.500 CB 1.282 Z: 12 12.284 1.709 0.813 0.881 0.818 0.727 CB 1.058 12 residues pruned to eliminate duplicates Z: 21 22.946 1.981 0.540 0.839 0.900 0.850 CB 1.396 21 residues pruned to eliminate duplicates Z: 13 10.665 1.626 0.299 0.826 0.917 0.750 CB 1.199 12 residues pruned to eliminate duplicates Z: 6 4.910 1.847 0.008 0.801 1.000 0.600 CB 0.907 Z: 6 9.809 2.040 0.792 0.493 1.000 0.600 CB 1.209 Z: 19 36.786 2.005 1.123 0.915 1.000 0.556 CB 1.439 19 residues pruned to eliminate duplicates Z: 10 4.822 1.651 0.374 0.340 0.667 0.333 N 1.265 7 residues pruned to eliminate duplicates Z: 7 5.026 1.815 0.238 0.746 0.833 0.500 CB 0.880 7 residues pruned to eliminate duplicates Z: 11 5.553 1.532 0.309 0.487 0.800 0.500 N 1.109 Z: 20 24.959 2.009 0.468 0.889 1.000 0.895 O 1.398 20 residues pruned to eliminate duplicates Z: 17 30.516 1.960 0.954 0.930 1.000 1.000 CB 1.393 16 residues pruned to eliminate duplicates Z: 9 9.242 1.608 0.581 0.808 1.000 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 10 4.360 1.686 0.020 0.632 1.000 0.444 CB 0.747 Z: 8 9.439 1.960 0.288 0.605 0.857 0.714 CB 1.492 Z: 17 6.010 1.593 0.393 0.463 0.750 0.562 CB 0.937 Z: 15 13.402 1.779 0.313 0.871 0.929 0.643 CB 1.204 Z: 15 18.315 1.808 0.502 0.847 1.000 0.643 CB 1.338 15 residues pruned to eliminate duplicates Z: 11 8.736 1.763 0.268 0.924 1.000 1.000 CB 0.868 11 residues pruned to eliminate duplicates Z: 12 5.169 1.496 0.483 0.290 0.727 0.636 CB 1.223 Z: 9 6.430 1.763 0.252 0.487 0.750 0.625 CB 1.392 Z: 31 13.294 1.766 0.603 0.402 0.733 0.500 CB 1.296 14 residues pruned to eliminate duplicates Z: 11 7.674 1.814 0.470 0.892 1.000 0.900 CB 0.653 Z: 7 9.363 1.526 0.672 0.848 1.000 0.833 CB 1.112 Z: 13 20.592 1.902 0.715 0.911 1.000 0.833 CB 1.292 13 residues pruned to eliminate duplicates Z: 6 2.079 1.532 0.334 0.295 0.800 0.600 CB 0.715 Z: 7 12.688 1.986 0.778 0.810 0.833 0.667 CB 1.344 7 residues pruned to eliminate duplicates Z: 29 8.589 1.674 0.413 0.210 0.786 0.393 CB 1.230 15 residues pruned to eliminate duplicates Z: 10 5.073 1.586 0.334 0.449 0.667 0.556 O 1.264 Z: 15 7.455 1.701 0.691 0.669 0.714 0.500 CB 0.830 15 residues pruned to eliminate duplicates Z: 19 17.835 1.815 0.619 0.809 0.889 0.556 CB 1.229 19 residues pruned to eliminate duplicates Z: 13 3.839 1.547 0.172 0.588 1.000 0.583 CB 0.562 13 residues pruned to eliminate duplicates Z: 22 16.926 1.564 0.662 0.828 0.952 0.429 CB 1.123 Z: 10 6.283 1.726 0.417 0.325 0.778 0.556 CB 1.336 Z: 11 5.592 1.678 0.304 0.472 0.700 0.500 CB 1.187 11 residues pruned to eliminate duplicates Z: 14 16.808 1.789 0.630 0.806 1.000 0.769 CB 1.224 14 residues pruned to eliminate duplicates Z: 15 13.932 1.642 0.488 0.873 1.000 0.857 CB 1.110 8 residues pruned to eliminate duplicates Z: 9 5.994 1.902 0.213 0.818 0.750 0.500 CB 0.929 Z: 12 7.234 1.858 0.313 0.333 0.818 0.545 CB 1.311 Z: 9 6.867 1.621 0.629 0.452 0.750 0.500 O 1.287 9 residues pruned to eliminate duplicates Z: 16 17.763 1.824 0.553 0.889 0.933 0.800 CB 1.249 13 residues pruned to eliminate duplicates Z: 11 5.990 1.725 0.805 0.332 0.800 0.400 CB 0.914 9 residues pruned to eliminate duplicates Z: 9 3.515 1.473 0.434 0.394 0.500 0.375 CB 1.315 Z: 27 15.359 1.798 0.798 0.637 0.808 0.423 CB 1.015 27 residues pruned to eliminate duplicates Z: 14 19.175 1.758 0.579 0.895 1.000 0.923 CB 1.373 14 residues pruned to eliminate duplicates Z: 23 13.088 1.791 0.641 0.512 0.818 0.636 CB 1.147 23 residues pruned to eliminate duplicates Z: 17 30.074 1.964 0.753 0.933 0.938 0.875 O 1.626 17 residues pruned to eliminate duplicates Z: 10 13.213 1.655 0.671 0.908 1.000 0.889 CB 1.131 6 residues pruned to eliminate duplicates Z: 10 4.927 1.705 -0.215 0.862 1.000 1.000 CB 0.900 Z: 7 15.322 1.893 0.864 0.872 0.833 0.333 N 1.550 7 residues pruned to eliminate duplicates Z: 7 2.657 1.875 0.837 0.249 0.333 0.167 CB 1.261 7 residues pruned to eliminate duplicates Z: 15 18.859 1.783 0.633 0.890 1.000 0.500 CB 1.245 14 residues pruned to eliminate duplicates Z: 8 11.348 1.748 0.717 0.729 0.857 0.571 CB 1.356 8 residues pruned to eliminate duplicates Z: 13 19.604 1.816 0.789 0.900 1.000 0.917 CB 1.245 12 residues pruned to eliminate duplicates Z: 12 18.646 1.882 0.637 0.857 1.000 0.818 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 2.703 1.427 0.821 0.574 0.500 0.333 N 0.791 Z: 15 7.811 1.747 0.575 0.541 0.786 0.286 CB 0.928 Z: 21 22.711 1.828 0.812 0.845 1.000 0.700 CB 1.140 21 residues pruned to eliminate duplicates Z: 7 4.486 1.769 -0.039 0.402 0.833 0.333 CB 1.433 Z: 16 12.126 1.673 0.795 0.736 0.933 0.467 CB 0.903 16 residues pruned to eliminate duplicates Z: 15 19.204 1.787 0.586 0.904 1.000 0.714 CB 1.290 15 residues pruned to eliminate duplicates Z: 6 2.733 1.702 0.413 0.419 0.600 0.400 CB 0.922 Z: 13 20.898 1.852 0.880 0.904 1.000 0.917 CB 1.234 13 residues pruned to eliminate duplicates Z: 7 21.673 1.991 1.021 0.882 1.000 1.000 CB 1.591 8 residues pruned to eliminate duplicates Z: 34 13.314 1.861 0.596 0.349 0.758 0.545 CB 1.214 34 residues pruned to eliminate duplicates Z: 10 9.863 1.618 0.716 0.673 0.889 0.444 CB 1.136 9 residues pruned to eliminate duplicates Z: 7 10.210 1.961 0.468 0.800 0.833 0.833 CB 1.336 6 residues pruned to eliminate duplicates Z: 7 8.209 1.787 0.663 0.879 1.000 1.000 CB 0.818 Z: 10 7.426 1.614 0.235 0.711 0.889 0.667 CB 1.153 10 residues pruned to eliminate duplicates Z: 10 5.661 1.710 0.366 0.285 0.778 0.444 CB 1.322 10 residues pruned to eliminate duplicates Z: 10 7.612 1.561 0.637 0.468 0.889 0.556 CB 1.154 Z: 13 15.405 1.878 0.486 0.888 0.917 0.917 CB 1.252 13 residues pruned to eliminate duplicates Z: 17 15.621 1.809 0.608 0.785 0.812 0.500 CB 1.286 Z: 6 3.435 1.883 0.055 0.314 0.800 0.800 CB 1.187 Z: 15 17.884 1.772 0.572 0.872 1.000 0.714 CB 1.250 16 residues pruned to eliminate duplicates Z: 10 12.160 1.673 0.456 0.850 1.000 0.667 CB 1.233 Z: 10 8.155 1.655 0.638 0.697 0.889 0.778 CB 0.942 10 residues pruned to eliminate duplicates Z: 15 9.762 1.920 0.408 0.348 0.857 0.500 CB 1.327 15 residues pruned to eliminate duplicates Z: 8 8.497 1.807 0.497 0.747 0.714 0.571 O 1.333 4 residues pruned to eliminate duplicates Z: 10 7.133 1.688 0.194 0.709 0.889 0.778 O 1.098 9 residues pruned to eliminate duplicates Z: 20 8.650 1.923 0.692 0.297 0.579 0.263 CB 1.322 20 residues pruned to eliminate duplicates Z: 17 17.555 1.743 0.578 0.836 0.875 0.750 CB 1.365 17 residues pruned to eliminate duplicates Z: 16 30.495 1.984 1.112 0.828 0.933 0.600 CB 1.516 16 residues pruned to eliminate duplicates Z: 9 3.897 1.465 0.518 0.385 0.625 0.625 N 1.120 6 1.854 1.345 0.598 0.296 0.600 0.400 CB 0.807 ? Z: 6 3.049 1.890 0.217 0.361 0.600 0.400 N 1.148 6 residues pruned to eliminate duplicates Z: 7 6.043 1.445 0.728 0.762 0.833 0.667 CB 0.939 Z: 10 6.699 1.709 0.328 0.355 0.889 0.556 N 1.295 10 residues pruned to eliminate duplicates Z: 9 8.554 1.811 0.214 0.865 1.000 0.875 CB 1.008 Z: 7 3.578 1.531 0.714 0.248 0.667 0.500 N 1.117 Z: 8 7.238 1.830 1.038 0.825 1.000 0.714 CB 0.553 Z: 19 9.528 1.720 0.224 0.451 0.944 0.611 CB 1.188 12 residues pruned to eliminate duplicates Z: 9 9.024 1.644 0.334 0.826 1.000 0.875 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 6.223 1.616 0.145 0.802 1.000 0.800 CB 1.155 Z: 8 4.662 1.567 0.319 0.478 0.714 0.429 CB 1.221 Z: 14 22.242 1.912 0.695 0.869 1.000 0.769 CB 1.391 15 residues pruned to eliminate duplicates Z: 13 15.930 1.837 0.734 0.869 1.000 0.917 CB 1.054 13 residues pruned to eliminate duplicates Z: 15 25.086 1.883 0.857 0.868 1.000 0.643 N 1.402 17 residues pruned to eliminate duplicates Z: 15 6.369 1.614 0.305 0.442 0.786 0.500 CB 1.092 15 residues pruned to eliminate duplicates Z: 12 11.385 1.573 0.452 0.868 1.000 0.909 CB 1.098 13 residues pruned to eliminate duplicates Z: 17 10.172 1.640 0.305 0.495 0.938 0.562 CB 1.274 Z: 7 2.271 1.452 0.707 0.397 0.667 0.500 CB 0.625 Z: 12 14.151 1.843 0.563 0.915 1.000 0.909 CB 1.046 13 residues pruned to eliminate duplicates Z: 9 7.652 1.570 0.239 0.876 1.000 0.750 CB 1.011 Z: 9 14.083 1.622 0.822 0.812 1.000 0.875 CB 1.284 12 residues pruned to eliminate duplicates Z: 11 5.146 1.678 0.182 0.701 0.800 0.600 CB 0.854 10 residues pruned to eliminate duplicates Z: 15 7.635 1.785 0.395 0.528 0.929 0.714 CB 0.859 9 residues pruned to eliminate duplicates Z: 7 2.945 1.630 0.142 0.271 0.833 0.500 CB 1.005 Z: 16 2.970 1.724 0.389 0.291 0.533 0.400 CB 0.759 10 residues pruned to eliminate duplicates Z: 12 5.839 1.339 0.727 0.431 0.818 0.455 N 0.999 Z: 6 5.813 1.771 0.717 0.517 0.600 0.400 CB 1.402 6 residues pruned to eliminate duplicates Z: 12 10.238 1.653 0.624 0.707 0.727 0.455 CB 1.310 10 residues pruned to eliminate duplicates Z: 7 13.127 1.584 1.460 0.602 1.000 0.833 CB 1.247 7 residues pruned to eliminate duplicates Z: 9 7.357 1.654 0.222 0.757 0.875 0.750 CB 1.170 9 residues pruned to eliminate duplicates Z: 6 3.179 1.254 0.784 0.671 0.800 0.800 CB 0.678 6 residues pruned to eliminate duplicates Z: 8 8.782 1.599 0.757 0.886 1.000 0.857 CB 0.852 8 residues pruned to eliminate duplicates Z: 12 15.988 1.821 0.615 0.898 1.000 0.818 CB 1.172 11 residues pruned to eliminate duplicates Z: 9 6.960 1.727 0.412 0.837 0.875 0.750 CB 0.863 Z: 10 9.866 1.718 0.379 0.826 1.000 0.889 CB 1.047 6 residues pruned to eliminate duplicates 7 1.848 1.450 0.452 0.312 0.500 0.333 CB 0.883 ? Z: 10 13.718 1.731 0.350 0.893 1.000 0.778 O 1.405 Z: 11 7.413 1.890 0.346 0.550 0.700 0.500 CB 1.254 11 residues pruned to eliminate duplicates Z: 8 8.130 1.872 0.051 0.900 1.000 1.000 CB 1.115 7 residues pruned to eliminate duplicates Z: 10 10.027 1.810 0.459 0.468 0.889 0.556 CB 1.471 10 residues pruned to eliminate duplicates Z: 13 19.997 1.916 0.857 0.843 1.000 1.000 CB 1.208 13 residues pruned to eliminate duplicates Z: 11 5.422 1.513 0.301 0.505 0.800 0.500 N 1.083 6 1.646 1.693 0.629 0.848 1.000 0.800 CB 0.198 ? Z: 13 17.237 1.847 0.687 0.919 1.000 0.917 CB 1.126 13 residues pruned to eliminate duplicates Z: 11 6.752 1.980 0.222 0.396 0.800 0.600 CB 1.231 11 residues pruned to eliminate duplicates Z: 18 9.754 1.848 0.634 0.531 0.765 0.471 CB 0.994 Z: 9 7.435 1.626 0.621 0.758 0.875 0.500 CB 0.907 8 residues pruned to eliminate duplicates Z: 7 2.097 1.799 -0.205 0.491 0.667 0.500 CB 0.906 Z: 9 4.135 1.827 0.299 0.187 0.750 0.375 CB 1.195 9 residues pruned to eliminate duplicates Z: 16 16.467 1.745 0.584 0.890 1.000 0.800 CB 1.107 14 residues pruned to eliminate duplicates Z: 11 6.326 1.682 0.207 0.445 0.800 0.500 CB 1.304 Z: 14 14.748 1.692 0.682 0.792 1.000 0.615 CB 1.112 14 residues pruned to eliminate duplicates Z: 6 8.862 1.853 0.263 0.819 1.000 0.800 O 1.284 6 residues pruned to eliminate duplicates Z: 15 5.530 1.569 0.337 0.342 0.929 0.286 CB 0.901 Z: 11 7.886 1.681 0.430 0.451 0.800 0.300 CB 1.363 Z: 12 14.114 1.732 0.728 0.799 0.909 0.727 CB 1.204 12 residues pruned to eliminate duplicates Z: 21 17.701 1.620 0.621 0.781 0.900 0.700 CB 1.307 21 residues pruned to eliminate duplicates Z: 7 3.200 1.437 0.473 0.219 0.833 0.667 N 1.031 Z: 6 3.781 1.678 0.732 0.850 0.800 0.600 CB 0.539 Z: 11 13.404 1.674 0.487 0.851 1.000 0.900 O 1.261 10 residues pruned to eliminate duplicates Z: 7 2.847 1.441 0.240 0.413 0.667 0.500 CB 1.069 Z: 7 8.452 1.770 0.506 0.886 1.000 1.000 CB 0.934 7 residues pruned to eliminate duplicates Z: 12 5.419 1.703 0.219 0.487 0.818 0.545 CB 0.975 Z: 6 2.867 1.301 0.353 0.674 0.800 0.600 CB 0.775 Z: 15 14.691 1.750 0.699 0.797 0.929 0.643 CB 1.096 15 residues pruned to eliminate duplicates Z: 12 11.526 1.737 0.747 0.546 0.818 0.636 CB 1.339 11 residues pruned to eliminate duplicates Z: 16 16.505 1.767 0.483 0.866 1.000 0.867 CB 1.190 16 residues pruned to eliminate duplicates Z: 19 8.076 1.760 0.252 0.449 0.722 0.389 CB 1.260 19 residues pruned to eliminate duplicates Z: 7 6.466 1.701 0.354 0.486 0.833 0.500 CB 1.395 Z: 6 4.141 1.696 0.218 0.630 0.800 0.600 CB 0.992 Z: 8 6.003 1.745 0.435 0.537 0.857 0.714 CB 1.020 19 residues pruned to eliminate duplicates Z: 9 5.105 1.607 0.318 0.568 0.875 0.625 CB 0.912 9 residues pruned to eliminate duplicates Z: 22 16.252 1.881 0.609 0.638 0.905 0.524 CB 1.138 19 residues pruned to eliminate duplicates Z: 11 4.329 1.514 0.533 0.476 0.600 0.500 N 1.007 Z: 7 6.075 1.652 0.553 0.561 0.833 0.833 CB 1.093 Z: 8 5.462 1.355 0.554 0.475 0.857 0.429 CB 1.174 Z: 7 7.505 1.734 0.145 0.596 1.000 0.833 CB 1.409 8 residues pruned to eliminate duplicates Z: 24 17.967 1.904 0.449 0.620 0.913 0.609 CB 1.327 24 residues pruned to eliminate duplicates Z: 24 34.295 2.043 0.929 0.875 0.957 0.739 CB 1.380 24 residues pruned to eliminate duplicates Z: 16 19.703 1.802 0.745 0.823 0.933 0.667 CB 1.310 15 residues pruned to eliminate duplicates Z: 10 11.379 1.815 0.737 0.830 0.889 0.778 CB 1.018 10 residues pruned to eliminate duplicates Z: 17 6.460 1.774 0.298 0.832 0.875 0.812 CB 0.602 11 residues pruned to eliminate duplicates Z: 7 5.677 1.522 0.662 0.416 0.833 0.667 N 1.201 7 residues pruned to eliminate duplicates 8 1.877 1.607 0.317 0.334 0.714 0.286 CB 0.563 ? Z: 10 13.299 1.625 0.711 0.817 1.000 0.889 CB 1.210 10 residues pruned to eliminate duplicates Z: 9 8.889 1.544 0.671 0.483 1.000 0.750 CB 1.238 Z: 14 3.984 1.386 0.735 0.158 0.615 0.385 CB 1.134 Z: 6 5.515 1.526 0.722 0.828 0.800 0.400 CB 0.883 Z: 6 2.395 1.553 0.333 0.295 0.600 0.400 N 1.086 6 residues pruned to eliminate duplicates Z: 6 3.417 1.751 0.219 0.458 0.800 0.400 CB 0.935 Z: 6 7.742 1.607 0.627 0.838 1.000 1.000 CB 0.990 6 residues pruned to eliminate duplicates Z: 14 13.835 1.616 0.355 0.833 1.000 0.769 CB 1.315 14 residues pruned to eliminate duplicates Z: 8 5.897 1.477 0.568 0.811 0.857 0.714 N 0.857 7 residues pruned to eliminate duplicates Z: 10 9.465 1.634 0.739 0.819 0.889 0.778 CB 0.947 14 residues pruned to eliminate duplicates Z: 17 13.473 1.668 0.625 0.859 0.875 0.250 CB 1.045 12 residues pruned to eliminate duplicates Z: 8 5.988 1.500 0.352 0.486 1.000 0.429 CB 1.132 Z: 7 3.090 1.079 0.931 0.701 0.833 0.667 N 0.605 Z: 17 12.399 1.563 0.642 0.713 0.875 0.438 CB 1.138 Z: 7 4.353 1.723 0.357 0.405 0.833 0.333 CB 1.008 Z: 7 4.214 1.633 0.482 0.242 0.833 0.333 CB 1.149 Z: 8 4.635 1.312 1.144 0.288 0.857 0.429 N 0.922 Z: 6 2.040 1.651 0.094 0.633 0.800 0.800 CB 0.557 Z: 20 12.271 1.777 0.559 0.466 0.789 0.421 CB 1.332 20 residues pruned to eliminate duplicates Z: 8 5.011 1.730 0.558 0.482 0.714 0.571 N 1.001 8 residues pruned to eliminate duplicates Z: 6 3.689 1.560 0.990 0.289 0.600 0.400 C 1.123 Z: 9 9.072 1.795 0.665 0.724 0.625 0.250 CB 1.403 9 residues pruned to eliminate duplicates Z: 8 5.848 1.747 0.270 0.699 0.857 0.286 CB 0.969 Z: 10 9.487 1.608 0.476 0.848 0.889 0.889 CB 1.111 10 residues pruned to eliminate duplicates Z: 7 2.092 1.666 0.039 0.244 0.667 0.333 O 0.995 Z: 11 5.009 1.768 0.708 0.381 0.600 0.400 CB 0.992 11 residues pruned to eliminate duplicates 7 1.827 1.509 0.527 0.099 0.667 0.333 CB 0.811 ? Z: 15 17.537 1.993 0.962 0.766 0.786 0.429 CB 1.205 15 residues pruned to eliminate duplicates Z: 10 9.188 1.758 0.606 0.789 0.889 0.778 CB 0.947 Z: 7 2.820 1.626 0.798 0.277 0.500 0.333 CB 1.014 Z: 7 2.755 1.627 0.490 0.547 0.500 0.333 CB 0.886 Z: 6 3.234 1.499 0.061 0.590 0.800 0.800 CB 1.043 Z: 7 5.992 1.588 0.199 0.815 0.833 0.667 CB 1.172 6 residues pruned to eliminate duplicates Z: 24 7.847 1.683 0.616 0.386 0.652 0.435 CB 1.042 24 residues pruned to eliminate duplicates Z: 8 2.304 1.481 0.180 0.321 0.857 0.429 CB 0.708 Z: 13 12.493 1.779 0.476 0.858 1.000 0.750 CB 1.012 13 residues pruned to eliminate duplicates Z: 15 12.880 1.715 0.302 0.916 1.000 0.857 CB 1.089 14 residues pruned to eliminate duplicates Z: 10 9.689 1.835 0.326 0.635 0.889 0.889 CB 1.315 10 residues pruned to eliminate duplicates Z: 13 6.877 1.597 0.435 0.255 0.833 0.500 CB 1.376 Z: 25 11.246 1.905 0.437 0.319 0.833 0.458 CB 1.228 25 residues pruned to eliminate duplicates Z: 6 7.601 1.396 0.538 0.781 1.000 0.600 N 1.236 Z: 6 2.246 1.524 0.744 0.269 0.400 0.400 O 1.228 Z: 13 15.157 1.851 1.047 0.875 0.833 0.333 CB 1.007 13 residues pruned to eliminate duplicates Z: 8 9.091 1.557 0.872 0.756 0.857 0.714 N 1.095 Z: 18 6.025 1.695 0.173 0.324 0.765 0.588 CB 1.166 17 residues pruned to eliminate duplicates Z: 16 23.993 1.849 0.664 0.918 1.000 0.867 CB 1.420 16 residues pruned to eliminate duplicates Z: 7 2.688 1.667 -0.244 0.571 0.833 0.667 CB 0.976 Z: 16 17.509 1.746 0.653 0.820 0.933 0.800 O 1.271 16 residues pruned to eliminate duplicates Z: 6 4.442 1.687 0.332 0.574 0.800 0.400 CB 1.029 Z: 10 4.435 1.600 0.672 0.531 0.889 0.556 CB 0.603 Z: 7 5.335 1.841 0.456 0.461 1.000 0.500 CB 0.845 5 residues pruned to eliminate duplicates Z: 7 10.217 1.681 0.610 0.784 1.000 0.500 CB 1.200 Z: 12 9.267 1.606 0.419 0.835 0.909 0.818 CB 1.011 25 residues pruned to eliminate duplicates Z: 14 17.372 1.692 0.791 0.881 0.923 0.615 CB 1.247 13 residues pruned to eliminate duplicates Z: 26 16.996 1.788 0.568 0.640 0.800 0.400 N 1.329 26 residues pruned to eliminate duplicates Z: 8 14.568 1.941 0.940 0.838 0.857 0.429 CB 1.275 8 residues pruned to eliminate duplicates Z: 6 2.614 1.381 0.024 0.576 0.800 0.600 CB 0.961 Z: 16 6.708 1.754 0.220 0.346 0.667 0.267 CB 1.434 19 residues pruned to eliminate duplicates Z: 7 4.406 1.527 0.421 0.581 1.000 0.667 CB 0.766 Z: 7 7.829 1.627 0.619 0.483 1.000 0.833 CB 1.234 Z: 15 12.140 1.838 0.300 0.922 1.000 0.929 CB 0.955 13 residues pruned to eliminate duplicates Z: 11 12.834 1.717 0.551 0.873 0.900 0.800 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 3.760 1.520 0.333 0.809 1.000 0.600 CB 0.634 Z: 10 3.590 1.586 0.130 0.345 0.778 0.444 CB 1.015 Z: 6 4.412 1.479 0.576 0.526 0.800 0.600 CB 1.031 Z: 8 3.603 1.410 1.061 0.154 0.714 0.429 N 1.003 Z: 6 4.943 1.910 0.600 0.594 0.600 0.600 CB 1.102 6 residues pruned to eliminate duplicates Z: 15 5.548 1.682 0.406 0.262 0.714 0.500 CB 1.152 15 residues pruned to eliminate duplicates Z: 8 6.532 1.912 0.262 0.721 0.857 0.714 CB 0.977 Z: 12 5.591 1.541 0.549 0.251 0.818 0.455 N 1.149 Z: 7 4.597 1.793 0.154 0.324 0.833 0.500 O 1.321 Z: 10 13.495 2.004 0.512 0.680 0.889 0.444 CB 1.415 10 residues pruned to eliminate duplicates Z: 7 5.890 1.981 1.086 0.875 1.000 1.000 CB 0.423 Z: 11 10.318 1.763 0.521 0.856 1.000 0.700 CB 0.897 11 residues pruned to eliminate duplicates Z: 6 3.634 1.500 0.389 0.409 1.000 0.400 CB 0.858 Z: 8 2.104 1.655 0.147 0.212 0.857 0.429 CB 0.687 7 residues pruned to eliminate duplicates Z: 13 8.142 1.675 0.666 0.560 0.833 0.417 CB 0.954 Z: 8 5.124 1.766 0.235 0.899 1.000 1.000 CB 0.635 8 residues pruned to eliminate duplicates Z: 48 33.500 1.939 0.589 0.697 0.957 0.681 CB 1.384 61 residues pruned to eliminate duplicates Z: 7 2.320 1.466 0.008 0.335 1.000 0.667 CB 0.767 Z: 17 10.964 1.735 0.475 0.758 0.812 0.688 CB 1.048 17 residues pruned to eliminate duplicates Z: 9 7.972 1.856 0.229 0.609 0.875 0.625 CB 1.273 4 residues pruned to eliminate duplicates Z: 15 9.573 1.662 0.437 0.677 0.786 0.571 CB 1.157 8 residues pruned to eliminate duplicates 6 0.573 1.159 1.147 0.379 0.600 0.400 CB 0.195 ? Z: 10 12.643 1.662 0.880 0.857 1.000 0.889 CB 0.994 11 residues pruned to eliminate duplicates Z: 10 9.887 1.890 0.565 0.505 0.889 0.556 N 1.247 10 residues pruned to eliminate duplicates Z: 6 4.955 1.703 0.338 0.878 1.000 1.000 CB 0.705 6 residues pruned to eliminate duplicates Z: 20 15.334 1.666 0.625 0.743 0.895 0.737 CB 1.169 20 residues pruned to eliminate duplicates Z: 7 3.527 1.400 0.546 0.481 0.833 0.667 CB 0.814 Z: 7 2.950 1.410 0.374 0.356 0.667 0.333 CB 1.089 Z: 12 13.349 1.785 0.423 0.860 1.000 0.727 CB 1.165 12 residues pruned to eliminate duplicates Z: 17 10.572 1.623 0.710 0.434 0.812 0.688 N 1.255 Z: 10 4.604 1.552 0.365 0.661 0.889 0.667 CB 0.702 Z: 7 6.369 1.768 0.676 0.520 0.833 0.500 CB 1.033 Z: 23 10.112 1.418 0.615 0.652 0.818 0.318 CB 0.998 23 residues pruned to eliminate duplicates Z: 6 3.606 1.487 0.965 0.296 0.600 0.400 CB 1.156 6 residues pruned to eliminate duplicates Z: 16 16.075 1.877 0.284 0.822 1.000 0.800 CB 1.304 16 residues pruned to eliminate duplicates Z: 16 24.768 1.798 0.978 0.796 1.000 0.467 N 1.388 16 residues pruned to eliminate duplicates Z: 6 8.071 1.668 0.533 0.715 1.000 1.000 CB 1.161 6 residues pruned to eliminate duplicates Z: 8 3.117 1.524 0.649 0.213 0.714 0.286 N 0.921 Z: 7 7.135 1.539 0.672 0.720 0.833 0.667 CB 1.113 Z: 11 2.786 1.503 0.051 0.260 0.600 0.400 CB 1.222 11 residues pruned to eliminate duplicates Z: 11 11.573 1.784 0.408 0.794 1.000 0.500 CB 1.127 11 residues pruned to eliminate duplicates Z: 10 6.857 1.516 0.316 0.726 0.778 0.667 CB 1.201 7 residues pruned to eliminate duplicates Z: 13 5.763 1.434 0.370 0.352 0.917 0.333 CB 1.084 Z: 13 9.394 1.694 0.771 0.389 0.750 0.667 CB 1.356 5 residues pruned to eliminate duplicates Z: 10 4.198 1.547 0.615 0.396 0.556 0.444 CB 1.126 Z: 6 2.916 1.456 0.536 0.385 0.800 0.400 CB 0.823 Z: 9 11.267 1.522 0.693 0.820 1.000 0.750 N 1.171 8 residues pruned to eliminate duplicates Z: 16 10.014 1.931 0.309 0.337 0.800 0.533 CB 1.527 16 residues pruned to eliminate duplicates Z: 8 4.270 1.570 0.140 0.532 0.857 0.429 CB 1.019 Z: 8 6.174 1.470 0.286 0.573 0.857 0.714 CB 1.343 8 residues pruned to eliminate duplicates Z: 8 4.795 1.586 0.377 0.774 1.000 0.857 CB 0.651 Z: 8 6.912 1.850 1.063 0.435 1.000 0.429 CB 0.732 7 residues pruned to eliminate duplicates Z: 11 4.506 1.671 0.130 0.315 0.700 0.400 CB 1.322 11 residues pruned to eliminate duplicates Z: 7 2.950 1.505 0.508 0.488 1.000 1.000 CB 0.537 Z: 14 4.641 1.492 0.281 0.323 0.846 0.538 CB 0.967 Z: 6 4.384 1.402 0.508 0.640 1.000 0.400 O 0.814 Z: 27 20.063 1.891 0.647 0.610 0.962 0.808 CB 1.183 25 residues pruned to eliminate duplicates Z: 7 2.439 1.306 0.452 0.599 0.833 0.500 CB 0.573 Z: 6 7.687 1.689 0.367 0.739 1.000 1.000 CB 1.203 6 residues pruned to eliminate duplicates Z: 18 7.101 1.746 0.300 0.352 0.765 0.588 CB 1.164 30 residues pruned to eliminate duplicates Z: 14 11.233 1.676 0.511 0.762 0.923 0.615 CB 1.056 14 residues pruned to eliminate duplicates Z: 9 2.247 1.611 0.156 0.209 0.750 0.625 CB 0.803 Z: 13 9.505 1.552 0.586 0.775 0.833 0.750 CB 1.050 14 residues pruned to eliminate duplicates Z: 63 20.518 1.911 0.675 0.375 0.726 0.419 CB 1.282 63 residues pruned to eliminate duplicates Z: 9 4.347 1.460 0.336 0.660 0.750 0.625 CB 0.906 Z: 8 2.855 1.683 -0.102 0.424 0.571 0.429 N 1.352 Z: 8 2.583 1.470 0.736 0.205 0.571 0.429 N 0.949 Z: 9 6.753 1.712 0.093 0.631 0.875 0.625 CB 1.289 9 residues pruned to eliminate duplicates Z: 9 7.798 1.718 0.842 0.706 1.000 0.875 CB 0.722 6 residues pruned to eliminate duplicates Z: 8 6.707 1.550 0.603 0.832 1.000 0.714 CB 0.766 Z: 6 5.210 1.366 0.407 0.561 1.000 0.400 O 1.143 Z: 8 3.578 1.619 0.470 0.385 0.857 0.429 CB 0.749 Z: 8 8.116 1.715 0.815 0.784 0.857 0.714 CB 0.895 8 residues pruned to eliminate duplicates Z: 8 3.940 1.632 0.511 0.199 0.714 0.143 N 1.210 Z: 15 15.459 1.801 1.073 0.581 0.857 0.500 CB 1.194 15 residues pruned to eliminate duplicates Z: 6 5.264 1.462 0.292 0.811 1.000 1.000 CB 0.951 5 residues pruned to eliminate duplicates Z: 16 8.414 1.926 0.529 0.263 0.733 0.400 CB 1.318 16 residues pruned to eliminate duplicates Z: 11 10.463 1.753 0.446 0.489 1.000 0.600 CB 1.320 12 residues pruned to eliminate duplicates Z: 6 4.947 1.305 0.848 0.834 0.800 0.800 N 0.859 Z: 7 4.586 1.345 0.274 0.686 1.000 0.500 N 0.921 Z: 13 8.265 1.667 0.462 0.444 0.833 0.333 CB 1.245 10 residues pruned to eliminate duplicates Z: 6 3.288 1.375 0.329 0.530 0.800 0.600 O 0.976 Z: 7 6.143 1.470 0.489 0.836 1.000 0.833 CB 0.858 Z: 7 5.336 1.750 0.403 0.441 0.833 0.500 CB 1.131 Z: 19 14.613 1.687 0.706 0.648 0.944 0.889 CB 1.104 19 residues pruned to eliminate duplicates Z: 6 5.876 1.589 0.615 0.823 1.000 0.400 CB 0.774 Z: 11 13.445 2.028 0.545 0.473 0.900 0.600 CB 1.550 11 residues pruned to eliminate duplicates Z: 6 4.359 1.441 0.242 0.666 0.800 0.800 CB 1.168 7 1.527 1.270 0.309 0.354 0.667 0.500 N 0.659 ? Z: 7 7.792 1.865 0.343 0.777 0.667 0.667 O 1.492 7 residues pruned to eliminate duplicates Z: 11 10.725 1.827 1.087 0.731 0.900 0.600 CB 0.803 11 residues pruned to eliminate duplicates Z: 12 7.727 1.657 0.943 0.534 0.818 0.636 CB 0.855 Z: 12 4.182 1.683 0.510 0.242 0.545 0.455 CB 1.225 Z: 8 5.842 1.914 0.178 0.490 0.714 0.571 CB 1.385 14 residues pruned to eliminate duplicates Z: 13 9.816 1.758 0.536 0.645 0.750 0.417 CB 1.222 14 residues pruned to eliminate duplicates Z: 12 11.241 1.589 0.627 0.811 1.000 0.727 CB 1.000 9 residues pruned to eliminate duplicates Z: 10 15.542 1.662 0.868 0.883 1.000 1.000 CB 1.207 9 residues pruned to eliminate duplicates Z: 15 12.123 1.790 0.776 0.506 0.786 0.429 CB 1.289 15 residues pruned to eliminate duplicates Z: 6 3.210 1.468 0.730 0.296 0.600 0.400 O 1.183 Z: 8 4.727 1.685 0.036 0.610 0.857 0.714 O 1.076 8 residues pruned to eliminate duplicates Z: 8 8.684 1.659 0.780 0.756 0.857 0.571 CB 1.033 6 residues pruned to eliminate duplicates Z: 20 8.049 1.822 0.643 0.276 0.632 0.368 CB 1.258 20 residues pruned to eliminate duplicates Z: 6 2.280 1.517 0.201 0.561 0.600 0.600 N 0.878 Z: 6 2.584 1.417 0.045 0.482 0.800 0.400 N 0.993 Z: 14 5.059 1.671 0.113 0.449 0.923 0.538 CB 0.861 Z: 6 2.707 1.176 0.974 0.550 0.800 0.600 N 0.621 Z: 8 3.779 1.470 0.642 0.391 0.857 0.571 CB 0.775 Z: 8 3.657 1.571 0.436 0.331 0.714 0.429 CB 1.033 Z: 9 5.994 1.831 0.461 0.491 0.875 0.750 CB 0.914 Z: 18 7.648 1.695 0.414 0.441 0.706 0.353 CB 1.165 8 residues pruned to eliminate duplicates Z: 13 7.928 1.732 0.675 0.841 1.000 0.500 CB 0.588 6 residues pruned to eliminate duplicates Z: 8 4.876 1.619 0.251 0.518 1.000 0.429 CB 0.894 Z: 12 7.564 1.574 0.186 0.803 0.909 0.727 CB 1.031 10 residues pruned to eliminate duplicates Z: 19 13.649 1.695 0.770 0.567 0.889 0.556 CB 1.131 19 residues pruned to eliminate duplicates Z: 12 6.093 1.612 0.199 0.370 0.909 0.273 CB 1.203 9 residues pruned to eliminate duplicates Z: 11 5.558 1.483 0.559 0.423 0.800 0.700 CB 1.030 9 residues pruned to eliminate duplicates Z: 11 7.664 1.880 0.926 0.913 1.000 1.000 CB 0.474 11 residues pruned to eliminate duplicates Z: 12 12.943 1.706 0.880 0.675 0.818 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 17 8.832 1.674 0.498 0.386 0.812 0.500 CB 1.223 17 residues pruned to eliminate duplicates Z: 21 11.078 1.717 0.258 0.406 1.000 0.500 CB 1.266 7 residues pruned to eliminate duplicates Z: 9 8.499 1.800 0.786 0.372 0.750 0.375 CB 1.428 7 residues pruned to eliminate duplicates Z: 13 10.381 1.728 0.487 0.850 0.917 0.583 CB 0.943 13 residues pruned to eliminate duplicates Z: 13 12.222 1.679 0.367 0.890 0.917 0.750 CB 1.206 Z: 13 9.844 1.695 0.308 0.792 0.833 0.583 CB 1.190 13 residues pruned to eliminate duplicates Z: 10 5.857 1.662 0.602 0.397 0.778 0.556 CB 1.051 Z: 15 16.158 1.740 0.756 0.821 0.857 0.714 CB 1.249 15 residues pruned to eliminate duplicates Z: 9 7.657 1.800 0.482 0.597 1.000 0.750 CB 0.925 9 residues pruned to eliminate duplicates Z: 6 2.116 1.466 0.211 0.360 0.600 0.400 N 1.032 Z: 8 2.889 1.516 0.420 0.235 0.714 0.429 N 0.966 Z: 10 11.075 1.716 0.716 0.569 0.889 0.778 O 1.320 10 residues pruned to eliminate duplicates Z: 19 8.305 1.673 0.688 0.358 0.833 0.333 CB 0.970 Z: 11 7.153 1.575 0.332 0.599 0.900 0.500 CB 1.090 9 residues pruned to eliminate duplicates Z: 19 22.051 1.922 0.611 0.854 1.000 0.722 CB 1.240 19 residues pruned to eliminate duplicates Z: 13 11.036 1.689 0.071 0.835 1.000 0.667 CB 1.319 13 residues pruned to eliminate duplicates Z: 8 3.985 1.442 0.301 0.385 0.857 0.571 CB 1.059 Z: 13 15.277 1.708 0.721 0.862 0.917 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 7 2.654 1.553 0.073 0.842 1.000 0.833 CB 0.485 Z: 7 7.979 1.663 0.478 0.698 1.000 0.833 CB 1.106 Z: 7 3.140 1.358 0.410 0.368 0.833 0.333 N 0.925 Z: 22 8.192 1.720 0.450 0.374 0.714 0.476 CB 1.149 35 residues pruned to eliminate duplicates Z: 18 10.373 1.723 0.750 0.475 0.824 0.412 CB 1.039 18 residues pruned to eliminate duplicates Z: 13 11.357 1.797 0.535 0.672 0.750 0.583 CB 1.352 13 residues pruned to eliminate duplicates Z: 8 19.806 2.052 1.218 0.841 0.857 0.571 CB 1.431 8 residues pruned to eliminate duplicates 6 1.581 1.042 -0.021 0.591 0.800 0.400 CB 0.794 ? Z: 8 3.410 1.189 0.191 0.772 1.000 0.857 CB 0.716 Z: 6 2.753 1.372 0.516 0.488 0.800 0.600 CB 0.749 Z: 14 22.746 1.854 0.701 0.849 1.000 0.769 CB 1.483 14 residues pruned to eliminate duplicates Z: 9 4.735 1.664 0.320 0.601 0.750 0.375 CB 0.923 9 residues pruned to eliminate duplicates Z: 6 3.039 1.299 0.160 0.618 1.000 0.800 CB 0.807 Z: 6 2.936 1.439 0.447 0.815 0.800 0.600 CB 0.599 Z: 6 3.578 1.759 0.365 0.415 0.800 0.600 CB 0.910 Z: 7 4.022 1.290 0.265 0.615 1.000 0.500 O 0.902 Z: 7 6.670 1.408 0.683 0.513 1.000 0.667 N 1.135 Z: 14 3.785 1.645 0.408 0.263 0.692 0.308 CB 0.858 9 1.975 1.312 0.941 0.182 0.750 0.625 CB 0.536 ? Z: 9 5.399 1.353 0.359 0.816 0.875 0.500 CB 0.902 7 residues pruned to eliminate duplicates Z: 13 11.393 1.623 0.319 0.844 1.000 0.833 CB 1.143 20 residues pruned to eliminate duplicates Z: 6 4.503 1.228 0.296 0.828 1.000 0.800 CB 0.952 Z: 8 6.085 1.546 0.833 0.662 0.714 0.429 CB 0.978 8 residues pruned to eliminate duplicates Z: 6 4.540 1.885 0.834 0.299 0.800 0.600 CB 0.919 7 residues pruned to eliminate duplicates Z: 15 5.303 1.604 0.366 0.318 0.714 0.429 CB 1.107 11 residues pruned to eliminate duplicates Z: 6 3.250 1.517 0.310 0.699 0.800 0.400 O 0.762 6 residues pruned to eliminate duplicates Z: 8 5.299 1.491 0.312 0.742 0.857 0.857 CB 0.961 Z: 8 6.887 1.697 0.356 0.722 0.857 0.714 CB 1.080 8 residues pruned to eliminate duplicates Z: 12 4.717 1.596 0.351 0.299 0.818 0.364 CB 1.010 11 residues pruned to eliminate duplicates Z: 6 3.267 1.497 0.209 0.667 0.600 0.400 N 1.153 Z: 7 3.046 1.418 0.569 0.302 0.667 0.500 N 1.045 Z: 9 8.386 1.422 0.491 0.814 0.875 0.750 CB 1.216 Z: 7 6.949 1.687 0.350 0.814 1.000 0.833 CB 0.948 12 residues pruned to eliminate duplicates Z: 8 2.534 1.574 0.307 0.173 0.714 0.429 CB 0.968 6 1.144 1.443 -0.006 0.272 0.600 0.200 N 0.771 ? Z: 6 6.596 1.535 0.604 0.756 0.800 0.600 N 1.192 6 residues pruned to eliminate duplicates Z: 7 4.237 1.479 0.348 0.596 0.667 0.667 O 1.188 7 residues pruned to eliminate duplicates Z: 10 12.154 1.896 0.332 0.837 1.000 0.667 CB 1.200 10 residues pruned to eliminate duplicates Z: 9 14.355 1.653 0.642 0.851 1.000 0.750 N 1.384 9 residues pruned to eliminate duplicates Z: 10 11.103 1.624 0.563 0.760 1.000 0.556 N 1.157 17 residues pruned to eliminate duplicates Z: 7 3.427 1.494 0.285 0.330 0.667 0.500 N 1.316 7 1.733 1.532 0.511 0.167 0.500 0.333 N 0.917 ? Z: 25 12.429 1.807 0.540 0.534 0.917 0.583 CB 0.962 25 residues pruned to eliminate duplicates Z: 9 4.002 1.670 0.966 0.781 1.000 0.625 CB 0.337 Z: 6 5.490 1.380 0.417 0.820 1.000 0.600 O 0.951 Z: 8 4.376 1.679 0.130 0.651 1.000 0.571 CB 0.757 Z: 10 4.146 1.621 0.401 0.368 0.556 0.444 CB 1.262 Z: 10 4.875 1.911 0.496 0.718 0.889 0.556 CB 0.525 Z: 10 12.645 1.634 0.599 0.834 1.000 0.778 CB 1.209 Z: 12 5.273 1.578 0.758 0.256 0.636 0.364 CB 1.191 Z: 7 2.232 1.375 0.355 0.246 1.000 0.500 N 0.655 6 1.148 1.426 -0.211 0.338 0.800 0.400 CB 0.681 ? Z: 7 8.309 1.820 0.589 0.868 1.000 0.833 CB 0.857 Z: 11 10.425 1.486 0.539 0.776 0.900 0.600 CB 1.256 Z: 27 16.560 1.881 0.576 0.547 0.808 0.615 CB 1.295 27 residues pruned to eliminate duplicates Z: 7 6.794 1.699 0.472 0.749 1.000 0.667 CB 0.888 7 residues pruned to eliminate duplicates Z: 6 4.407 1.362 0.551 0.847 1.000 0.600 CB 0.693 7 1.762 1.416 0.317 0.137 0.833 0.667 CB 0.727 ? Z: 10 5.516 1.810 0.123 0.412 0.778 0.556 CB 1.276 10 residues pruned to eliminate duplicates Z: 9 21.451 1.890 1.105 0.831 1.000 0.750 O 1.432 27 residues pruned to eliminate duplicates Z: 11 11.664 1.604 0.759 0.879 0.900 0.700 CB 1.053 9 residues pruned to eliminate duplicates Z: 11 3.454 1.565 0.309 0.229 0.700 0.400 CB 1.044 Z: 8 3.062 1.601 0.377 0.296 0.714 0.143 CB 0.923 Z: 9 5.219 1.775 0.470 0.430 0.750 0.500 CB 1.014 Z: 8 9.251 1.766 0.575 0.846 0.857 0.714 CB 1.089 8 residues pruned to eliminate duplicates 6 1.031 1.196 0.482 0.385 0.400 0.400 N 0.734 ? Z: 6 5.968 1.505 0.013 0.770 1.000 0.800 CB 1.377 Z: 16 9.186 1.507 0.591 0.869 0.733 0.467 CB 0.985 16 residues pruned to eliminate duplicates Z: 14 19.400 1.824 0.893 0.820 1.000 0.692 CB 1.181 14 residues pruned to eliminate duplicates Z: 9 3.806 1.573 0.112 0.489 0.875 0.375 CB 0.889 Z: 6 3.864 1.242 0.764 0.475 1.000 0.800 N 0.809 Z: 13 13.514 1.850 0.301 0.916 1.000 0.833 CB 1.145 13 residues pruned to eliminate duplicates Z: 15 5.971 1.665 0.204 0.273 0.786 0.357 CB 1.311 15 residues pruned to eliminate duplicates Z: 9 3.099 1.521 0.469 0.467 0.625 0.250 CB 0.811 Z: 7 7.702 1.552 0.805 0.636 0.833 0.500 CB 1.185 Z: 7 4.046 1.608 0.540 0.726 0.833 0.667 CB 0.653 Z: 20 7.663 1.680 0.456 0.380 0.789 0.474 CB 1.035 20 residues pruned to eliminate duplicates Z: 6 3.661 1.317 0.570 0.797 0.800 0.800 CB 0.764 Z: 14 7.034 1.685 0.819 0.190 0.769 0.308 N 1.199 14 residues pruned to eliminate duplicates Z: 6 2.741 1.316 0.307 0.478 0.800 0.600 CB 0.911 Z: 8 3.506 1.449 0.164 0.718 0.857 0.571 O 0.753 8 residues pruned to eliminate duplicates Z: 7 6.807 1.565 0.327 0.813 1.000 0.833 O 1.019 Z: 10 7.134 1.408 0.584 0.776 0.778 0.667 CB 1.074 17 residues pruned to eliminate duplicates Z: 8 9.732 1.565 0.681 0.696 0.857 0.429 CB 1.364 8 residues pruned to eliminate duplicates Z: 14 9.802 1.669 0.483 0.750 0.923 0.692 CB 0.952 Z: 9 8.201 1.586 0.376 0.689 0.875 0.625 N 1.277 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.912 1.213 0.395 0.459 1.000 0.400 O 1.078 3 residues pruned to eliminate duplicates Z: 6 3.687 1.478 0.232 0.474 0.800 0.600 O 1.162 Z: 6 8.418 1.454 1.305 0.655 1.000 1.000 CB 0.973 6 residues pruned to eliminate duplicates Z: 10 6.367 1.713 0.425 0.652 0.667 0.333 CB 1.132 Z: 12 6.842 1.791 0.299 0.530 0.727 0.545 CB 1.183 12 residues pruned to eliminate duplicates Z: 7 6.579 1.990 0.338 0.718 0.833 0.500 CB 0.994 6 residues pruned to eliminate duplicates Z: 12 8.712 1.791 0.595 0.630 0.818 0.636 CB 0.995 12 residues pruned to eliminate duplicates Z: 12 7.927 1.772 0.618 0.431 0.727 0.545 CB 1.231 7 residues pruned to eliminate duplicates Z: 9 5.516 1.442 0.122 0.760 1.000 0.750 O 0.956 9 residues pruned to eliminate duplicates Z: 8 5.927 1.586 0.268 0.659 1.000 0.714 O 0.960 14 residues pruned to eliminate duplicates Z: 7 5.875 1.596 0.225 0.863 1.000 0.833 O 0.899 7 residues pruned to eliminate duplicates Z: 8 7.453 1.669 0.369 0.658 0.857 0.571 O 1.242 8 residues pruned to eliminate duplicates Z: 7 7.551 1.666 0.140 0.823 1.000 0.667 CB 1.227 7 residues pruned to eliminate duplicates Z: 7 6.574 1.529 0.252 0.817 1.000 0.667 CB 1.064 7 residues pruned to eliminate duplicates Z: 7 7.202 1.543 0.461 0.789 1.000 0.500 CB 1.012 7 residues pruned to eliminate duplicates Z: 15 11.480 1.721 0.427 0.764 0.929 0.857 O 1.064 15 residues pruned to eliminate duplicates Z: 11 12.942 1.779 0.577 0.652 0.900 0.800 O 1.407 11 residues pruned to eliminate duplicates Z: 8 10.413 1.878 0.547 0.725 0.857 0.857 O 1.291 8 residues pruned to eliminate duplicates Z: 15 17.317 1.870 0.512 0.700 0.929 0.643 O 1.469 14 residues pruned to eliminate duplicates Z: 13 16.855 1.895 0.461 0.919 1.000 0.917 CB 1.239 13 residues pruned to eliminate duplicates Z: 13 19.975 1.931 0.484 0.852 1.000 0.917 CB 1.488 13 residues pruned to eliminate duplicates Z: 13 15.277 1.885 0.588 0.899 0.917 0.917 CB 1.149 13 residues pruned to eliminate duplicates Z: 13 18.444 1.876 0.823 0.812 0.833 0.750 CB 1.424 13 residues pruned to eliminate duplicates Z: 16 17.168 1.906 0.458 0.795 1.000 0.867 CB 1.233 16 residues pruned to eliminate duplicates Z: 14 18.180 1.894 0.637 0.788 0.923 0.769 CB 1.368 14 residues pruned to eliminate duplicates Z: 16 16.313 1.895 0.502 0.774 0.933 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 14 17.819 1.918 0.510 0.910 1.000 0.923 CB 1.210 14 residues pruned to eliminate duplicates Z: 17 14.245 1.849 0.446 0.695 0.938 0.688 CB 1.189 17 residues pruned to eliminate duplicates Z: 19 15.425 1.758 0.518 0.721 0.889 0.778 CB 1.255 19 residues pruned to eliminate duplicates Z: 15 11.739 1.923 0.947 0.375 0.786 0.429 CB 1.219 15 residues pruned to eliminate duplicates Z: 7 11.384 1.841 0.800 0.728 1.000 0.667 CB 1.142 7 residues pruned to eliminate duplicates Z: 7 12.721 1.980 0.711 0.757 0.833 0.333 CB 1.464 7 residues pruned to eliminate duplicates Z: 12 9.542 1.806 0.609 0.448 0.727 0.273 CB 1.437 12 residues pruned to eliminate duplicates Z: 17 10.672 1.869 0.711 0.333 0.812 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 16 11.397 1.916 0.759 0.371 0.733 0.400 CB 1.366 16 residues pruned to eliminate duplicates Z: 11 4.936 1.830 0.793 0.293 0.700 0.300 CB 0.858 11 residues pruned to eliminate duplicates Z: 13 7.616 1.866 0.484 0.204 0.833 0.417 CB 1.355 13 residues pruned to eliminate duplicates Z: 7 7.740 2.042 0.660 0.273 1.000 0.333 CB 1.206 7 residues pruned to eliminate duplicates Z: 17 9.943 1.887 0.585 0.437 0.750 0.625 CB 1.183 17 residues pruned to eliminate duplicates Z: 8 7.819 2.005 0.911 0.352 0.857 0.429 CB 1.057 8 residues pruned to eliminate duplicates Z: 13 8.829 1.914 0.786 0.396 0.667 0.417 CB 1.248 13 residues pruned to eliminate duplicates Z: 9 8.709 1.809 0.234 0.755 1.000 1.000 CB 1.099 16 residues pruned to eliminate duplicates Z: 8 8.715 1.789 0.218 0.894 1.000 1.000 CB 1.084 8 residues pruned to eliminate duplicates Z: 8 6.968 1.791 0.478 0.846 0.857 0.714 CB 0.863 8 residues pruned to eliminate duplicates Z: 9 9.959 1.798 0.256 0.758 1.000 0.875 CB 1.239 9 residues pruned to eliminate duplicates Z: 7 6.842 1.781 0.303 0.812 1.000 0.833 CB 0.917 7 residues pruned to eliminate duplicates Z: 12 9.032 1.608 0.758 0.563 0.909 0.545 CB 0.997 9 residues pruned to eliminate duplicates Z: 8 11.453 1.797 0.462 0.854 1.000 0.429 CB 1.217 8 residues pruned to eliminate duplicates Z: 14 9.437 1.671 0.385 0.715 0.846 0.692 CB 1.101 14 residues pruned to eliminate duplicates Z: 8 2.066 1.466 -0.011 0.313 0.714 0.286 O 0.928 7 residues pruned to eliminate duplicates Z: 16 12.485 1.670 0.426 0.899 1.000 0.867 CB 0.967 18 residues pruned to eliminate duplicates Z: 13 10.433 1.655 0.594 0.809 1.000 0.583 CB 0.872 13 residues pruned to eliminate duplicates Z: 14 10.740 1.694 0.489 0.744 1.000 0.538 CB 0.949 14 residues pruned to eliminate duplicates Z: 11 10.757 1.759 0.475 0.842 1.000 0.500 CB 0.977 11 residues pruned to eliminate duplicates Z: 12 12.263 1.729 0.546 0.842 0.909 0.818 CB 1.134 12 residues pruned to eliminate duplicates Z: 10 11.051 1.762 0.605 0.874 1.000 0.778 CB 0.948 10 residues pruned to eliminate duplicates Z: 14 11.787 1.620 0.504 0.739 1.000 0.769 CB 1.083 15 residues pruned to eliminate duplicates Z: 11 9.777 1.689 0.369 0.863 1.000 0.800 CB 0.981 11 residues pruned to eliminate duplicates Z: 12 8.805 1.728 0.298 0.751 0.909 0.545 CB 1.041 12 residues pruned to eliminate duplicates Z: 16 9.328 1.627 0.443 0.653 0.933 0.667 CB 0.953 13 residues pruned to eliminate duplicates Z: 12 9.415 1.689 0.438 0.773 0.909 0.727 CB 1.010 12 residues pruned to eliminate duplicates 6 1.432 1.402 0.620 0.382 0.400 0.000 N 0.800 ? Z: 8 9.927 1.617 0.408 0.739 1.000 0.571 CB 1.330 8 residues pruned to eliminate duplicates Z: 6 13.135 1.744 0.787 0.811 1.000 1.000 O 1.438 7 residues pruned to eliminate duplicates Z: 7 13.193 1.706 0.667 0.848 1.000 0.667 N 1.405 7 residues pruned to eliminate duplicates Z: 7 12.100 1.713 0.849 0.750 1.000 0.500 N 1.247 6 residues pruned to eliminate duplicates Z: 9 14.224 1.583 0.738 0.873 1.000 0.750 N 1.331 8 residues pruned to eliminate duplicates Z: 9 8.363 1.744 0.376 0.492 0.875 0.500 N 1.419 9 residues pruned to eliminate duplicates Z: 14 11.470 1.745 0.467 0.495 0.923 0.538 CB 1.353 8 residues pruned to eliminate duplicates Z: 6 9.078 1.847 0.362 0.610 1.000 0.800 O 1.454 8 residues pruned to eliminate duplicates Z: 9 9.498 1.661 0.491 0.855 0.875 0.625 CB 1.143 Z: 12 16.603 1.760 0.915 0.884 1.000 0.909 CB 1.074 24 residues pruned to eliminate duplicates Z: 10 9.899 1.846 0.600 0.806 0.778 0.444 CB 1.100 10 residues pruned to eliminate duplicates Z: 18 11.466 1.726 0.847 0.548 0.824 0.412 CB 1.010 23 residues pruned to eliminate duplicates Z: 9 10.468 1.865 0.528 0.803 0.875 0.750 CB 1.139 9 residues pruned to eliminate duplicates Z: 23 10.478 1.840 0.518 0.425 0.727 0.455 CB 1.189 23 residues pruned to eliminate duplicates Z: 11 14.352 1.777 0.679 0.904 1.000 0.900 CB 1.083 11 residues pruned to eliminate duplicates Z: 15 9.596 1.792 0.520 0.612 0.714 0.429 CB 1.186 15 residues pruned to eliminate duplicates Z: 17 8.091 1.634 0.573 0.553 0.750 0.250 CB 0.997 17 residues pruned to eliminate duplicates Z: 15 8.207 1.656 0.530 0.605 0.643 0.143 CB 1.219 15 residues pruned to eliminate duplicates Z: 27 12.025 1.783 0.625 0.451 0.769 0.346 CB 1.114 27 residues pruned to eliminate duplicates Z: 11 4.276 1.699 0.447 0.168 0.700 0.300 N 1.177 11 residues pruned to eliminate duplicates Z: 12 3.257 1.765 0.496 0.045 0.727 0.273 CB 0.938 12 residues pruned to eliminate duplicates Z: 6 4.889 1.925 0.485 0.100 0.800 0.600 CA 1.593 6 residues pruned to eliminate duplicates Z: 17 12.314 1.854 0.937 0.309 0.750 0.312 CB 1.413 17 residues pruned to eliminate duplicates Z: 18 15.750 1.843 0.695 0.571 0.941 0.588 CB 1.213 37 residues pruned to eliminate duplicates Z: 8 9.880 1.752 0.912 0.699 0.714 0.429 CB 1.301 8 residues pruned to eliminate duplicates Z: 11 16.351 1.938 0.892 0.460 0.900 0.500 CB 1.632 11 residues pruned to eliminate duplicates Z: 12 13.928 1.987 0.893 0.439 0.818 0.545 CB 1.453 12 residues pruned to eliminate duplicates Z: 36 19.935 1.800 0.732 0.520 0.857 0.514 CB 1.237 56 residues pruned to eliminate duplicates Z: 7 6.600 1.533 0.527 0.845 0.833 0.167 O 1.027 14 residues pruned to eliminate duplicates Z: 19 7.641 1.590 0.676 0.240 0.722 0.111 N 1.264 19 residues pruned to eliminate duplicates Z: 7 3.884 1.577 0.693 0.397 0.500 0.500 N 1.324 7 residues pruned to eliminate duplicates Z: 9 4.612 1.537 0.542 0.510 0.625 0.625 CB 1.090 9 residues pruned to eliminate duplicates Z: 18 10.495 1.764 0.409 0.522 0.765 0.294 CB 1.310 18 residues pruned to eliminate duplicates Z: 11 9.603 1.799 0.585 0.515 0.800 0.500 CB 1.311 11 residues pruned to eliminate duplicates Z: 8 8.937 1.917 0.288 0.691 1.000 0.714 CB 1.149 8 residues pruned to eliminate duplicates Z: 8 12.518 1.971 0.425 0.711 1.000 0.714 CB 1.391 8 residues pruned to eliminate duplicates Z: 12 9.598 1.873 0.365 0.551 0.818 0.273 CB 1.316 12 residues pruned to eliminate duplicates Z: 15 8.664 1.861 0.487 0.505 0.643 0.500 CB 1.294 15 residues pruned to eliminate duplicates Z: 11 8.718 1.988 0.406 0.476 0.700 0.500 CB 1.443 11 residues pruned to eliminate duplicates Z: 20 9.638 1.868 0.452 0.346 0.789 0.579 CB 1.221 21 residues pruned to eliminate duplicates Z: 6 4.388 1.305 0.550 0.468 1.000 0.600 CA 1.002 6 residues pruned to eliminate duplicates Z: 25 10.255 1.736 0.389 0.395 0.917 0.583 CB 1.058 23 residues pruned to eliminate duplicates Z: 7 5.765 1.636 0.520 0.655 1.000 0.833 CB 0.819 11 residues pruned to eliminate duplicates Z: 26 18.590 1.757 0.539 0.816 0.960 0.840 CB 1.089 26 residues pruned to eliminate duplicates Z: 24 9.046 1.780 0.291 0.445 0.870 0.522 CB 0.999 24 residues pruned to eliminate duplicates Z: 11 10.217 1.822 0.504 0.713 1.000 0.700 CB 0.972 11 residues pruned to eliminate duplicates Z: 31 16.384 1.857 0.611 0.567 0.900 0.633 CB 1.041 33 residues pruned to eliminate duplicates Z: 12 7.557 1.831 0.459 0.619 0.818 0.455 CB 0.931 12 residues pruned to eliminate duplicates Z: 7 8.413 1.876 0.456 0.526 0.833 0.500 CB 1.471 7 residues pruned to eliminate duplicates Z: 10 16.258 2.041 0.641 0.746 1.000 0.889 CB 1.298 10 residues pruned to eliminate duplicates Z: 17 10.941 1.692 0.888 0.578 0.750 0.562 CB 1.059 17 residues pruned to eliminate duplicates Z: 20 13.319 1.869 0.521 0.604 0.842 0.474 CB 1.157 20 residues pruned to eliminate duplicates Z: 29 18.468 1.855 0.588 0.597 0.857 0.643 CB 1.260 29 residues pruned to eliminate duplicates Z: 22 18.091 1.905 0.567 0.726 0.905 0.667 CB 1.193 22 residues pruned to eliminate duplicates Z: 25 17.192 1.855 0.650 0.594 0.917 0.708 CB 1.144 30 residues pruned to eliminate duplicates Z: 19 25.882 1.884 1.057 0.861 0.944 0.667 CB 1.225 19 residues pruned to eliminate duplicates Z: 15 9.601 1.883 0.724 0.564 0.643 0.429 CB 1.156 15 residues pruned to eliminate duplicates Z: 14 15.870 1.941 0.886 0.703 0.846 0.615 CB 1.181 33 residues pruned to eliminate duplicates Z: 29 18.556 1.837 0.610 0.575 0.893 0.393 CB 1.234 28 residues pruned to eliminate duplicates Z: 15 19.376 1.819 0.707 0.860 1.000 0.643 CB 1.226 15 residues pruned to eliminate duplicates Z: 31 20.223 1.880 0.655 0.612 0.867 0.600 CB 1.232 31 residues pruned to eliminate duplicates Z: 18 17.931 1.930 0.807 0.543 0.824 0.647 CB 1.452 18 residues pruned to eliminate duplicates Z: 38 19.751 1.790 0.563 0.597 0.811 0.514 CB 1.305 32 residues pruned to eliminate duplicates Z: 20 24.126 2.000 0.541 0.822 1.000 0.842 CB 1.358 20 residues pruned to eliminate duplicates Z: 26 19.759 1.869 0.670 0.615 0.840 0.760 CB 1.352 32 residues pruned to eliminate duplicates Z: 6 5.680 1.635 0.256 0.490 1.000 1.000 CB 1.250 6 residues pruned to eliminate duplicates Z: 35 15.133 1.782 0.633 0.540 0.735 0.441 CB 1.167 27 residues pruned to eliminate duplicates Z: 7 2.749 1.313 0.451 0.333 0.833 0.667 CA 0.849 7 residues pruned to eliminate duplicates Z: 26 15.264 1.834 0.637 0.565 0.800 0.400 CB 1.193 26 residues pruned to eliminate duplicates Z: 28 18.791 1.832 0.666 0.543 0.852 0.630 CB 1.334 28 residues pruned to eliminate duplicates Z: 10 7.116 1.743 0.210 0.460 0.889 0.444 CB 1.317 10 residues pruned to eliminate duplicates Z: 11 5.354 1.552 0.303 0.199 0.900 0.400 N 1.332 11 residues pruned to eliminate duplicates Z: 15 9.494 1.696 0.432 0.403 0.786 0.643 CB 1.472 15 residues pruned to eliminate duplicates Z: 11 8.216 1.697 0.572 0.442 0.700 0.600 O 1.478 11 residues pruned to eliminate duplicates Z: 23 22.235 1.909 0.733 0.650 0.955 0.727 CB 1.305 23 residues pruned to eliminate duplicates Z: 15 19.676 1.818 0.568 0.831 1.000 0.714 CB 1.386 15 residues pruned to eliminate duplicates Z: 9 11.796 1.765 0.393 0.605 1.000 0.500 CB 1.535 9 residues pruned to eliminate duplicates Z: 10 8.588 1.752 0.429 0.568 0.778 0.556 CB 1.377 10 residues pruned to eliminate duplicates Z: 25 22.221 1.900 0.643 0.623 0.917 0.667 CB 1.411 25 residues pruned to eliminate duplicates Z: 23 15.276 1.869 0.489 0.524 0.909 0.727 CB 1.258 23 residues pruned to eliminate duplicates Z: 23 17.189 1.880 0.646 0.532 0.909 0.591 CB 1.262 23 residues pruned to eliminate duplicates Z: 20 12.150 1.880 0.525 0.433 0.789 0.316 CB 1.320 20 residues pruned to eliminate duplicates Z: 26 19.198 1.892 0.515 0.598 0.880 0.640 CB 1.386 26 residues pruned to eliminate duplicates Z: 20 14.197 1.909 0.384 0.601 0.789 0.684 CB 1.417 20 residues pruned to eliminate duplicates Z: 31 17.457 1.792 0.585 0.514 0.867 0.600 CB 1.277 31 residues pruned to eliminate duplicates Z: 28 17.542 1.876 0.596 0.515 0.852 0.481 CB 1.305 28 residues pruned to eliminate duplicates Z: 27 17.940 1.907 0.478 0.482 0.885 0.538 CB 1.437 27 residues pruned to eliminate duplicates Z: 25 21.248 1.909 0.733 0.629 0.875 0.583 CB 1.327 25 residues pruned to eliminate duplicates Z: 12 7.382 1.889 0.717 0.326 0.818 0.636 CB 1.015 12 residues pruned to eliminate duplicates Z: 28 16.374 1.819 0.507 0.545 0.852 0.444 CB 1.291 28 residues pruned to eliminate duplicates Z: 35 20.590 1.860 0.423 0.606 0.853 0.529 CB 1.415 35 residues pruned to eliminate duplicates Z: 29 16.528 1.777 0.409 0.534 0.857 0.500 CB 1.407 29 residues pruned to eliminate duplicates Z: 25 17.730 1.893 0.580 0.599 0.875 0.667 CB 1.259 25 residues pruned to eliminate duplicates Z: 31 15.658 1.781 0.548 0.468 0.833 0.400 CB 1.285 31 residues pruned to eliminate duplicates Z: 36 23.658 1.945 0.396 0.651 0.914 0.714 CB 1.400 35 residues pruned to eliminate duplicates Z: 24 27.214 2.037 0.433 0.860 1.000 0.739 CB 1.430 24 residues pruned to eliminate duplicates Z: 39 29.770 1.995 0.489 0.726 0.974 0.711 CB 1.362 39 residues pruned to eliminate duplicates Z: 44 25.028 1.925 0.433 0.698 0.907 0.698 CB 1.274 44 residues pruned to eliminate duplicates Z: 22 23.362 1.994 0.479 0.902 0.905 0.762 CB 1.363 22 residues pruned to eliminate duplicates Z: 40 22.658 1.919 0.400 0.644 0.923 0.641 CB 1.279 40 residues pruned to eliminate duplicates Z: 43 27.093 1.891 0.653 0.643 0.881 0.667 CB 1.328 40 residues pruned to eliminate duplicates Z: 21 28.233 2.055 0.710 0.896 0.950 0.900 CB 1.354 21 residues pruned to eliminate duplicates Z: 41 24.467 1.891 0.559 0.584 0.900 0.625 CB 1.345 41 residues pruned to eliminate duplicates Z: 39 23.604 1.880 0.571 0.667 0.816 0.605 CB 1.362 39 residues pruned to eliminate duplicates Z: 41 25.747 1.919 0.578 0.634 0.900 0.650 CB 1.317 41 residues pruned to eliminate duplicates Z: 21 32.615 2.051 0.817 0.836 1.000 0.600 CB 1.465 21 residues pruned to eliminate duplicates Z: 53 34.477 1.959 0.675 0.669 0.885 0.500 CB 1.410 53 residues pruned to eliminate duplicates Z: 16 24.942 1.989 0.913 0.896 0.933 0.267 CB 1.299 16 residues pruned to eliminate duplicates Z: 31 29.693 1.968 0.891 0.762 0.900 0.567 CB 1.283 31 residues pruned to eliminate duplicates Z: 16 29.926 2.006 0.951 0.872 1.000 0.333 CB 1.439 16 residues pruned to eliminate duplicates Z: 48 26.734 1.923 0.570 0.651 0.936 0.617 CB 1.200 48 residues pruned to eliminate duplicates Z: 29 20.333 1.932 0.661 0.574 0.857 0.500 CB 1.301 29 residues pruned to eliminate duplicates Z: 15 25.586 2.091 0.910 0.840 0.857 0.357 CB 1.491 15 residues pruned to eliminate duplicates Z: 57 33.037 1.900 0.653 0.653 0.946 0.607 CB 1.288 57 residues pruned to eliminate duplicates Z: 30 28.399 2.000 0.795 0.687 0.862 0.483 CB 1.436 30 residues pruned to eliminate duplicates Z: 32 29.196 1.955 0.767 0.702 0.968 0.645 CB 1.304 31 residues pruned to eliminate duplicates Z: 27 22.862 1.895 0.512 0.764 0.885 0.654 CB 1.400 27 residues pruned to eliminate duplicates Z: 37 19.972 1.855 0.772 0.605 0.778 0.333 CB 1.178 37 residues pruned to eliminate duplicates Z: 54 27.603 1.922 0.467 0.619 0.887 0.679 CB 1.356 54 residues pruned to eliminate duplicates Z: 12 7.915 1.831 0.522 0.442 0.818 0.727 CB 1.112 13 residues pruned to eliminate duplicates Z: 6 7.642 1.680 0.741 0.591 1.000 0.600 CB 1.070 6 residues pruned to eliminate duplicates Z: 10 10.652 1.946 0.426 0.572 0.889 0.889 CB 1.342 10 residues pruned to eliminate duplicates Z: 7 5.055 1.692 0.207 0.587 0.833 0.667 CB 1.115 7 residues pruned to eliminate duplicates Z: 8 7.335 1.671 0.466 0.661 0.857 0.714 CB 1.138 7 residues pruned to eliminate duplicates Z: 7 7.222 1.727 0.190 0.708 1.000 0.833 CB 1.187 7 residues pruned to eliminate duplicates Z: 8 3.417 1.686 0.406 0.234 0.571 0.429 O 1.298 Z: 10 9.843 1.498 0.698 0.739 0.889 0.444 CB 1.171 17 residues pruned to eliminate duplicates Z: 7 5.248 1.495 0.504 0.534 0.833 0.167 N 1.106 Z: 7 7.212 1.709 0.581 0.587 0.833 0.333 O 1.203 14 residues pruned to eliminate duplicates Z: 15 6.710 1.627 0.342 0.494 0.643 0.357 CB 1.285 16 residues pruned to eliminate duplicates Z: 12 10.149 1.783 0.370 0.900 0.909 0.818 CB 0.984 14 residues pruned to eliminate duplicates Z: 10 8.614 1.776 0.516 0.908 0.889 0.889 CB 0.852 10 residues pruned to eliminate duplicates Z: 21 10.307 1.699 0.248 0.587 0.900 0.500 CB 1.111 21 residues pruned to eliminate duplicates Z: 18 7.376 1.670 0.281 0.531 0.765 0.647 CB 1.061 18 residues pruned to eliminate duplicates Z: 13 7.294 1.703 0.433 0.412 0.833 0.333 CB 1.134 13 residues pruned to eliminate duplicates Z: 13 8.966 1.785 0.332 0.554 0.833 0.500 CB 1.239 9 residues pruned to eliminate duplicates Z: 11 11.818 1.782 0.499 0.886 1.000 0.700 CB 1.009 15 residues pruned to eliminate duplicates Z: 9 10.381 1.783 0.719 0.774 0.875 0.500 CB 1.074 9 residues pruned to eliminate duplicates Z: 13 7.484 1.799 0.441 0.611 0.667 0.500 CB 1.125 13 residues pruned to eliminate duplicates Z: 31 13.974 1.693 0.432 0.568 0.800 0.500 CB 1.231 36 residues pruned to eliminate duplicates Z: 12 11.282 1.682 0.485 0.875 0.909 0.273 CB 1.089 12 residues pruned to eliminate duplicates Z: 13 8.145 1.715 0.512 0.619 0.833 0.667 CB 0.973 13 residues pruned to eliminate duplicates Z: 14 12.670 1.763 0.561 0.791 0.923 0.846 CB 1.072 14 residues pruned to eliminate duplicates Z: 22 10.592 1.634 0.474 0.535 0.810 0.571 CB 1.145 22 residues pruned to eliminate duplicates Z: 11 8.943 1.655 0.616 0.591 0.800 0.500 CB 1.211 11 residues pruned to eliminate duplicates Z: 15 9.741 1.664 0.427 0.511 0.857 0.357 CB 1.265 9 residues pruned to eliminate duplicates Z: 10 14.741 1.752 0.501 0.861 1.000 1.000 CB 1.373 16 residues pruned to eliminate duplicates Z: 10 14.673 1.604 0.668 0.890 1.000 0.889 CB 1.315 11 residues pruned to eliminate duplicates Z: 9 12.130 1.748 0.592 0.850 0.875 0.625 CB 1.304 8 residues pruned to eliminate duplicates Z: 11 14.311 1.639 0.560 0.864 1.000 1.000 CB 1.298 10 residues pruned to eliminate duplicates Z: 11 14.444 1.713 0.698 0.830 0.900 0.800 CB 1.311 11 residues pruned to eliminate duplicates Z: 13 15.570 1.759 0.600 0.627 1.000 0.833 CB 1.417 13 residues pruned to eliminate duplicates Z: 11 14.451 1.809 0.405 0.856 1.000 0.700 O 1.327 11 residues pruned to eliminate duplicates Z: 15 13.699 1.745 0.388 0.621 0.929 0.643 CB 1.452 12 residues pruned to eliminate duplicates Z: 13 16.265 1.716 0.577 0.815 1.000 0.833 O 1.320 13 residues pruned to eliminate duplicates Z: 13 11.693 1.766 0.552 0.665 0.833 0.500 CB 1.268 13 residues pruned to eliminate duplicates Z: 12 14.705 1.745 0.538 0.801 1.000 0.727 CB 1.270 12 residues pruned to eliminate duplicates Z: 24 15.649 1.695 0.646 0.544 0.913 0.696 CB 1.227 30 residues pruned to eliminate duplicates Z: 19 17.020 1.686 0.594 0.849 0.944 0.833 CB 1.172 17 residues pruned to eliminate duplicates Z: 14 11.518 1.645 0.680 0.826 0.846 0.769 CB 1.030 14 residues pruned to eliminate duplicates Z: 19 12.377 1.719 0.581 0.636 0.833 0.722 CB 1.134 19 residues pruned to eliminate duplicates Z: 19 14.796 1.677 0.567 0.644 0.889 0.778 O 1.306 19 residues pruned to eliminate duplicates Z: 17 14.086 1.665 0.725 0.687 0.875 0.375 CB 1.181 17 residues pruned to eliminate duplicates Z: 27 17.216 1.696 0.592 0.680 0.962 0.500 CB 1.102 27 residues pruned to eliminate duplicates Z: 27 16.570 1.703 0.569 0.636 0.846 0.654 CB 1.265 27 residues pruned to eliminate duplicates Z: 24 9.288 1.677 0.306 0.420 0.826 0.565 CB 1.164 23 residues pruned to eliminate duplicates Z: 19 20.154 1.764 0.632 0.908 1.000 0.722 CB 1.173 7 residues pruned to eliminate duplicates Z: 18 18.883 1.740 0.701 0.886 1.000 0.882 CB 1.116 18 residues pruned to eliminate duplicates Z: 26 9.993 1.637 0.613 0.443 0.760 0.560 CB 1.055 26 residues pruned to eliminate duplicates Z: 19 14.954 1.630 0.726 0.659 0.889 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 43 16.057 1.711 0.413 0.509 0.881 0.476 CB 1.154 43 residues pruned to eliminate duplicates Z: 18 7.524 1.746 0.335 0.303 0.824 0.471 CB 1.184 18 residues pruned to eliminate duplicates Z: 40 13.326 1.664 0.471 0.539 0.769 0.513 CB 1.091 43 residues pruned to eliminate duplicates Z: 23 14.227 1.762 0.495 0.558 1.000 0.500 CB 1.088 23 residues pruned to eliminate duplicates Z: 15 6.629 1.780 0.115 0.342 0.857 0.429 CB 1.237 15 residues pruned to eliminate duplicates Z: 30 17.191 1.704 0.658 0.624 0.931 0.552 CB 1.079 30 residues pruned to eliminate duplicates Z: 30 9.181 1.700 0.287 0.396 0.793 0.345 CB 1.096 48 residues pruned to eliminate duplicates Z: 16 13.341 1.640 0.698 0.571 0.867 0.600 CB 1.333 16 residues pruned to eliminate duplicates Z: 24 8.676 1.788 0.119 0.394 0.870 0.391 CB 1.162 24 residues pruned to eliminate duplicates Z: 20 6.525 1.763 0.156 0.325 0.789 0.368 CB 1.127 20 residues pruned to eliminate duplicates Z: 33 15.280 1.726 0.543 0.425 0.906 0.469 CB 1.210 33 residues pruned to eliminate duplicates Z: 18 12.512 1.822 0.443 0.510 0.941 0.412 CB 1.214 18 residues pruned to eliminate duplicates Z: 28 11.620 1.708 0.506 0.452 0.852 0.481 CB 1.072 28 residues pruned to eliminate duplicates Z: 22 9.970 1.764 0.605 0.426 0.810 0.381 CB 1.025 22 residues pruned to eliminate duplicates Z: 28 9.890 1.755 0.371 0.415 0.926 0.481 CB 0.934 28 residues pruned to eliminate duplicates Z: 42 18.326 1.723 0.601 0.593 0.902 0.463 CB 1.052 42 residues pruned to eliminate duplicates Z: 12 5.406 1.745 0.264 0.512 0.727 0.364 CB 1.004 12 residues pruned to eliminate duplicates Z: 12 8.883 1.771 0.545 0.625 0.727 0.455 CB 1.196 12 residues pruned to eliminate duplicates Z: 44 14.917 1.760 0.468 0.477 0.837 0.326 CB 1.077 44 residues pruned to eliminate duplicates Z: 13 9.712 1.801 0.386 0.443 1.000 0.333 CB 1.191 13 residues pruned to eliminate duplicates Z: 15 7.352 1.727 0.505 0.411 0.857 0.357 CB 0.967 15 residues pruned to eliminate duplicates Z: 21 10.300 1.726 0.470 0.387 0.950 0.400 CB 1.077 21 residues pruned to eliminate duplicates Z: 26 7.321 1.645 0.313 0.301 0.800 0.400 CB 1.057 Z: 6 3.994 1.564 0.548 0.232 1.000 0.400 CB 1.009 6 residues pruned to eliminate duplicates Z: 17 7.896 1.750 0.137 0.421 1.000 0.562 CB 1.078 40 residues pruned to eliminate duplicates Z: 6 2.430 1.652 0.078 0.218 0.800 0.400 O 1.062 6 residues pruned to eliminate duplicates Z: 8 6.732 1.766 0.161 0.518 0.857 0.571 CB 1.422 8 residues pruned to eliminate duplicates Z: 14 6.549 1.709 0.305 0.325 0.846 0.538 CB 1.168 14 residues pruned to eliminate duplicates Z: 38 10.589 1.700 0.346 0.395 0.865 0.405 CB 0.983 38 residues pruned to eliminate duplicates Z: 28 9.202 1.691 0.410 0.384 0.852 0.481 CB 0.987 28 residues pruned to eliminate duplicates Z: 28 9.549 1.631 0.242 0.337 0.889 0.444 CB 1.218 16 residues pruned to eliminate duplicates Z: 7 9.933 1.604 0.784 0.864 1.000 0.667 O 1.039 7 residues pruned to eliminate duplicates Z: 26 9.784 1.686 0.298 0.450 0.840 0.520 CB 1.120 23 residues pruned to eliminate duplicates Z: 11 14.911 1.614 0.990 0.711 1.000 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 22 8.570 1.733 0.349 0.371 0.810 0.476 CB 1.135 22 residues pruned to eliminate duplicates Z: 10 3.335 1.746 0.146 0.416 0.667 0.444 CB 0.910 Z: 18 12.048 1.529 0.568 0.657 0.882 0.765 CB 1.193 37 residues pruned to eliminate duplicates Z: 15 13.289 1.643 0.623 0.707 1.000 0.786 CB 1.104 15 residues pruned to eliminate duplicates Z: 14 6.789 1.653 0.264 0.343 0.846 0.231 O 1.263 14 residues pruned to eliminate duplicates Z: 13 5.581 1.556 0.443 0.364 0.750 0.417 N 1.107 Z: 20 14.563 1.625 0.447 0.785 0.895 0.684 CB 1.236 33 residues pruned to eliminate duplicates Z: 15 9.944 1.615 0.603 0.540 0.857 0.571 CB 1.152 15 residues pruned to eliminate duplicates Z: 19 6.549 1.738 0.182 0.579 0.667 0.444 CB 1.044 19 residues pruned to eliminate duplicates Z: 16 15.728 1.656 0.608 0.742 0.933 0.667 CB 1.315 16 residues pruned to eliminate duplicates Z: 16 9.486 1.702 0.514 0.578 0.733 0.600 CB 1.201 16 residues pruned to eliminate duplicates Z: 11 13.912 1.686 0.758 0.683 0.900 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 10 9.963 1.780 0.475 0.811 0.778 0.556 CB 1.241 10 residues pruned to eliminate duplicates Z: 15 16.241 1.680 0.631 0.848 1.000 0.857 CB 1.176 16 residues pruned to eliminate duplicates Z: 16 13.386 1.690 0.343 0.884 1.000 0.933 CB 1.100 16 residues pruned to eliminate duplicates Z: 21 13.049 1.536 0.436 0.796 0.900 0.750 CB 1.134 21 residues pruned to eliminate duplicates Z: 17 12.711 1.628 0.393 0.682 0.938 0.812 CB 1.265 17 residues pruned to eliminate duplicates Z: 15 11.114 1.610 0.596 0.474 0.929 0.500 CB 1.277 15 residues pruned to eliminate duplicates Z: 12 5.998 1.631 0.617 0.277 0.727 0.545 CB 1.214 12 residues pruned to eliminate duplicates Z: 10 5.465 1.599 0.351 0.413 0.889 0.444 CB 1.039 10 residues pruned to eliminate duplicates Z: 9 6.361 1.653 0.553 0.532 0.750 0.250 N 1.132 Z: 10 9.444 1.588 0.400 0.880 1.000 1.000 CB 1.026 9 residues pruned to eliminate duplicates Z: 13 10.506 1.589 0.392 0.885 1.000 0.833 CB 0.990 13 residues pruned to eliminate duplicates Z: 10 4.842 1.635 0.111 0.641 0.889 0.556 CB 0.876 10 residues pruned to eliminate duplicates Z: 8 7.396 1.689 0.278 0.648 1.000 0.714 CB 1.129 8 residues pruned to eliminate duplicates Z: 11 8.482 1.681 0.341 0.657 0.900 0.600 CB 1.143 11 residues pruned to eliminate duplicates Z: 10 7.992 1.699 0.370 0.675 0.778 0.444 CB 1.253 10 residues pruned to eliminate duplicates Z: 8 6.482 1.691 0.403 0.545 0.857 0.571 CB 1.154 8 residues pruned to eliminate duplicates Z: 11 10.403 1.641 0.394 0.859 1.000 0.900 CB 1.058 12 residues pruned to eliminate duplicates Z: 15 8.609 1.465 0.540 0.804 0.929 0.643 CB 0.842 12 residues pruned to eliminate duplicates Z: 11 10.192 1.555 0.754 0.819 0.800 0.700 CB 1.120 11 residues pruned to eliminate duplicates Z: 8 4.737 1.609 0.509 0.405 0.714 0.286 CB 1.141 Z: 10 5.994 1.564 0.634 0.398 0.778 0.444 CB 1.119 8 residues pruned to eliminate duplicates Z: 9 5.235 1.541 0.400 0.448 0.750 0.375 CB 1.206 9 residues pruned to eliminate duplicates Z: 12 10.035 1.676 0.563 0.704 0.909 0.545 CB 1.055 25 residues pruned to eliminate duplicates Z: 10 9.575 1.739 0.396 0.827 1.000 0.778 CB 0.991 10 residues pruned to eliminate duplicates Z: 13 9.656 1.687 0.548 0.608 0.833 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 12 9.315 1.650 0.428 0.691 0.909 0.818 CB 1.101 12 residues pruned to eliminate duplicates Z: 12 9.922 1.693 0.454 0.687 0.909 0.636 CB 1.127 12 residues pruned to eliminate duplicates Z: 7 3.862 1.499 0.652 0.687 1.000 0.833 CB 0.537 5 residues pruned to eliminate duplicates Z: 10 7.317 1.638 0.671 0.766 0.889 0.444 CB 0.792 10 residues pruned to eliminate duplicates Z: 17 6.899 1.517 0.457 0.472 0.750 0.438 CB 1.071 16 residues pruned to eliminate duplicates Z: 9 7.622 1.557 0.797 0.619 1.000 0.875 CB 0.861 9 residues pruned to eliminate duplicates Z: 6 3.881 1.487 0.288 0.329 1.000 0.400 O 1.093 6 residues pruned to eliminate duplicates Z: 12 11.344 1.715 0.293 0.679 1.000 0.545 O 1.307 11 residues pruned to eliminate duplicates Z: 9 14.814 1.734 0.785 0.882 1.000 0.750 CB 1.224 9 residues pruned to eliminate duplicates Z: 13 10.761 1.617 0.430 0.737 1.000 0.750 CB 1.086 13 residues pruned to eliminate duplicates Z: 13 10.029 1.571 0.613 0.702 0.833 0.667 O 1.141 13 residues pruned to eliminate duplicates Z: 14 11.838 1.644 0.568 0.718 0.923 0.769 CB 1.133 11 residues pruned to eliminate duplicates Z: 11 15.496 1.714 0.697 0.883 1.000 0.800 CB 1.218 12 residues pruned to eliminate duplicates Z: 11 13.284 1.670 0.582 0.875 0.900 0.800 CB 1.285 11 residues pruned to eliminate duplicates Z: 13 12.900 1.684 0.326 0.746 1.000 0.583 CB 1.337 14 residues pruned to eliminate duplicates Z: 12 14.149 1.758 0.409 0.765 1.000 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 14 13.335 1.640 0.548 0.730 1.000 0.846 CB 1.184 14 residues pruned to eliminate duplicates Z: 6 3.569 1.724 -0.118 0.350 1.000 0.600 CB 1.235 4 residues pruned to eliminate duplicates Z: 18 6.397 1.603 0.250 0.447 0.824 0.588 CB 0.993 18 residues pruned to eliminate duplicates Z: 12 5.280 1.636 0.260 0.414 0.727 0.364 CB 1.162 13 residues pruned to eliminate duplicates Z: 10 4.041 1.692 -0.045 0.334 0.778 0.333 CB 1.284 17 residues pruned to eliminate duplicates Z: 15 6.335 1.589 0.135 0.623 0.786 0.500 CB 1.065 15 residues pruned to eliminate duplicates Z: 7 4.319 1.663 -0.119 0.588 0.833 0.333 CB 1.327 7 residues pruned to eliminate duplicates Z: 15 3.721 1.549 0.149 0.460 0.714 0.357 CB 0.815 15 residues pruned to eliminate duplicates Z: 14 7.655 1.710 0.172 0.768 0.846 0.692 CB 0.987 14 residues pruned to eliminate duplicates Z: 17 8.506 1.701 0.290 0.549 0.812 0.375 CB 1.137 17 residues pruned to eliminate duplicates Z: 20 10.076 1.653 0.494 0.592 0.842 0.421 CB 1.019 20 residues pruned to eliminate duplicates Z: 14 9.249 1.697 0.453 0.755 0.846 0.615 CB 0.980 14 residues pruned to eliminate duplicates Z: 17 6.469 1.685 0.339 0.542 0.750 0.500 CB 0.917 17 residues pruned to eliminate duplicates Z: 14 5.902 1.658 0.392 0.689 0.769 0.615 CB 0.775 14 residues pruned to eliminate duplicates Z: 19 8.612 1.710 0.257 0.621 0.778 0.444 CB 1.083 19 residues pruned to eliminate duplicates Z: 17 8.203 1.664 0.325 0.628 0.812 0.688 CB 1.015 17 residues pruned to eliminate duplicates Z: 10 6.155 1.702 0.279 0.704 0.778 0.778 CB 1.006 10 residues pruned to eliminate duplicates Z: 19 6.896 1.650 0.138 0.536 0.889 0.500 CB 0.940 19 residues pruned to eliminate duplicates Z: 9 9.103 1.726 0.557 0.802 1.000 0.875 CB 0.920 9 residues pruned to eliminate duplicates Z: 6 4.573 1.601 0.707 0.334 0.800 0.600 N 1.121 Z: 16 9.692 1.821 0.583 0.297 0.800 0.533 CB 1.362 27 residues pruned to eliminate duplicates Z: 10 15.855 1.851 1.180 0.689 0.778 0.556 CB 1.417 10 residues pruned to eliminate duplicates Z: 12 12.255 1.756 0.791 0.523 0.909 0.545 CB 1.263 12 residues pruned to eliminate duplicates Z: 9 12.933 1.744 0.843 0.703 0.875 0.375 O 1.352 9 residues pruned to eliminate duplicates Z: 6 15.161 1.949 0.785 0.765 1.000 0.400 CB 1.541 6 residues pruned to eliminate duplicates Z: 17 7.194 1.948 0.348 0.343 0.688 0.312 CB 1.181 17 residues pruned to eliminate duplicates Z: 16 6.836 1.888 0.543 0.255 0.600 0.467 CB 1.337 16 residues pruned to eliminate duplicates Z: 11 4.259 1.755 0.549 0.388 0.400 0.200 CB 1.394 11 residues pruned to eliminate duplicates Z: 23 7.321 1.982 0.387 0.293 0.591 0.364 CB 1.212 23 residues pruned to eliminate duplicates Z: 21 10.512 2.000 0.640 0.323 0.600 0.350 CB 1.451 21 residues pruned to eliminate duplicates Z: 27 12.973 2.002 0.475 0.378 0.769 0.538 CB 1.276 27 residues pruned to eliminate duplicates Z: 10 6.529 1.868 0.564 0.342 0.889 0.556 CB 0.995 10 residues pruned to eliminate duplicates Z: 11 5.323 1.941 0.423 0.282 0.700 0.500 CB 1.114 11 residues pruned to eliminate duplicates Z: 25 12.842 1.930 0.481 0.329 0.792 0.542 CB 1.396 25 residues pruned to eliminate duplicates Z: 49 19.568 1.919 0.599 0.374 0.771 0.500 CB 1.366 49 residues pruned to eliminate duplicates Z: 12 8.673 1.954 0.509 0.342 0.909 0.636 CB 1.158 12 residues pruned to eliminate duplicates Z: 24 17.128 1.954 0.754 0.380 0.870 0.522 CB 1.362 24 residues pruned to eliminate duplicates Z: 29 15.707 1.956 0.509 0.484 0.857 0.679 CB 1.192 29 residues pruned to eliminate duplicates Z: 41 17.403 1.955 0.606 0.309 0.775 0.400 CB 1.398 41 residues pruned to eliminate duplicates Z: 37 17.178 1.921 0.613 0.353 0.833 0.361 CB 1.300 37 residues pruned to eliminate duplicates Z: 41 21.185 1.954 0.654 0.379 0.850 0.425 CB 1.386 41 residues pruned to eliminate duplicates Z: 45 19.438 1.879 0.614 0.367 0.795 0.432 CB 1.400 45 residues pruned to eliminate duplicates Z: 49 17.976 1.907 0.618 0.342 0.771 0.479 CB 1.295 49 residues pruned to eliminate duplicates Z: 14 15.898 2.018 0.667 0.600 0.923 0.462 CB 1.291 14 residues pruned to eliminate duplicates Z: 13 18.252 1.983 0.588 0.559 1.000 0.500 CB 1.579 13 residues pruned to eliminate duplicates Z: 12 12.147 1.987 0.567 0.427 0.818 0.364 CB 1.551 12 residues pruned to eliminate duplicates Z: 12 7.824 1.915 0.829 0.471 0.636 0.273 CB 1.090 12 residues pruned to eliminate duplicates Z: 12 14.659 1.947 0.756 0.486 0.818 0.455 CB 1.602 12 residues pruned to eliminate duplicates Z: 14 11.449 1.991 0.732 0.605 0.692 0.385 CB 1.204 14 residues pruned to eliminate duplicates Z: 15 17.273 2.017 0.646 0.680 0.786 0.429 CB 1.499 15 residues pruned to eliminate duplicates Z: 28 13.376 1.856 0.704 0.449 0.778 0.407 CB 1.103 28 residues pruned to eliminate duplicates Z: 23 19.114 2.037 0.497 0.612 0.818 0.409 CB 1.469 36 residues pruned to eliminate duplicates Z: 14 14.273 1.958 0.823 0.650 0.692 0.462 CB 1.393 14 residues pruned to eliminate duplicates Z: 52 20.116 1.922 0.604 0.385 0.824 0.431 CB 1.253 58 residues pruned to eliminate duplicates Z: 11 14.614 1.992 1.088 0.733 0.800 0.500 CB 1.126 11 residues pruned to eliminate duplicates Z: 29 21.849 2.037 0.611 0.551 0.857 0.536 CB 1.396 29 residues pruned to eliminate duplicates Z: 26 17.880 1.995 0.779 0.502 0.800 0.520 CB 1.257 26 residues pruned to eliminate duplicates Z: 25 22.716 2.068 0.756 0.599 0.792 0.625 CB 1.467 25 residues pruned to eliminate duplicates Z: 44 26.131 1.995 0.763 0.446 0.907 0.581 CB 1.321 44 residues pruned to eliminate duplicates Z: 16 13.901 1.927 0.815 0.416 0.800 0.400 CB 1.400 16 residues pruned to eliminate duplicates Z: 26 26.009 2.014 0.875 0.579 0.880 0.640 CB 1.451 26 residues pruned to eliminate duplicates Z: 44 21.779 1.873 0.762 0.532 0.791 0.442 CB 1.233 44 residues pruned to eliminate duplicates Z: 35 23.824 1.900 0.821 0.571 0.853 0.559 CB 1.293 35 residues pruned to eliminate duplicates Z: 15 17.666 1.942 1.073 0.605 0.786 0.786 CB 1.351 15 residues pruned to eliminate duplicates Z: 21 21.773 1.937 0.907 0.583 0.800 0.450 CB 1.522 21 residues pruned to eliminate duplicates Z: 53 26.005 1.937 0.793 0.424 0.788 0.442 CB 1.425 53 residues pruned to eliminate duplicates Z: 26 21.612 1.924 0.761 0.585 0.920 0.600 CB 1.278 26 residues pruned to eliminate duplicates Z: 50 31.705 1.987 0.757 0.549 0.898 0.612 CB 1.377 50 residues pruned to eliminate duplicates Z: 25 28.377 1.964 0.905 0.580 0.958 0.458 CB 1.495 25 residues pruned to eliminate duplicates Z: 19 30.210 2.069 0.857 0.778 0.889 0.667 CB 1.632 19 residues pruned to eliminate duplicates Z: 38 27.843 1.978 0.893 0.619 0.811 0.568 CB 1.347 38 residues pruned to eliminate duplicates Z: 64 32.390 1.997 0.767 0.485 0.825 0.524 CB 1.422 64 residues pruned to eliminate duplicates Z: 38 28.074 1.963 0.835 0.586 0.865 0.459 CB 1.364 38 residues pruned to eliminate duplicates Z: 23 25.785 2.006 0.815 0.640 0.864 0.591 CB 1.534 24 residues pruned to eliminate duplicates Z: 16 40.520 2.086 1.144 0.920 1.000 0.867 CB 1.647 16 residues pruned to eliminate duplicates Z: 9 5.245 1.342 0.560 0.724 0.750 0.375 CB 0.965 8 residues pruned to eliminate duplicates Z: 7 4.509 1.321 0.458 0.589 0.833 0.667 N 1.054 7 residues pruned to eliminate duplicates Z: 6 6.506 1.602 0.194 0.770 1.000 0.800 CB 1.198 9 residues pruned to eliminate duplicates Z: 8 5.121 1.475 0.517 0.679 0.857 0.429 CB 0.856 6 residues pruned to eliminate duplicates Z: 14 13.781 1.670 0.588 0.806 1.000 0.615 CB 1.104 11 residues pruned to eliminate duplicates Z: 13 14.146 1.711 0.905 0.780 0.917 0.667 CB 1.068 13 residues pruned to eliminate duplicates Z: 27 13.301 1.813 0.412 0.570 0.808 0.538 CB 1.179 28 residues pruned to eliminate duplicates Z: 15 9.817 1.577 0.443 0.776 0.857 0.714 O 1.054 15 residues pruned to eliminate duplicates Z: 10 14.812 1.807 0.855 0.852 1.000 0.667 CB 1.089 13 residues pruned to eliminate duplicates Z: 14 13.968 1.691 0.673 0.803 1.000 0.692 CB 1.051 11 residues pruned to eliminate duplicates Z: 8 11.866 1.812 0.929 0.877 0.857 0.714 CB 1.087 10 residues pruned to eliminate duplicates Z: 11 12.298 1.698 0.811 0.847 0.800 0.700 CB 1.173 11 residues pruned to eliminate duplicates Z: 17 9.490 1.733 0.761 0.600 0.688 0.438 CB 1.028 17 residues pruned to eliminate duplicates Z: 38 16.893 1.845 0.371 0.556 0.838 0.676 CB 1.240 35 residues pruned to eliminate duplicates Z: 7 2.089 1.437 0.289 0.410 0.667 0.333 CB 0.759 Z: 28 17.403 1.649 0.646 0.743 0.852 0.519 CB 1.165 35 residues pruned to eliminate duplicates Z: 10 10.023 1.710 0.533 0.706 0.778 0.556 CB 1.359 9 residues pruned to eliminate duplicates Z: 8 10.150 1.587 0.429 0.889 1.000 0.714 N 1.218 8 residues pruned to eliminate duplicates Z: 6 4.079 1.560 0.992 0.661 0.600 0.600 O 0.843 6 residues pruned to eliminate duplicates Z: 11 9.154 1.730 0.578 0.603 0.800 0.300 CB 1.201 11 residues pruned to eliminate duplicates Z: 9 5.909 1.473 1.215 0.617 0.875 0.250 CB 0.655 10 residues pruned to eliminate duplicates Z: 8 6.997 1.670 0.987 0.634 0.857 0.714 CB 0.820 8 residues pruned to eliminate duplicates Z: 6 3.714 1.702 0.224 0.260 0.800 0.600 N 1.311 6 residues pruned to eliminate duplicates Z: 24 9.883 1.745 0.312 0.438 0.739 0.391 CB 1.298 24 residues pruned to eliminate duplicates Z: 17 6.020 1.680 0.199 0.296 0.812 0.562 CB 1.156 15 residues pruned to eliminate duplicates Z: 6 5.228 1.472 0.646 0.305 1.000 0.600 N 1.198 Z: 9 4.278 1.317 0.925 0.425 0.625 0.375 CB 1.033 4 residues pruned to eliminate duplicates Z: 9 5.593 1.255 0.457 0.471 1.000 0.625 C 1.113 9 residues pruned to eliminate duplicates Z: 20 8.110 1.799 0.429 0.253 0.737 0.368 CB 1.304 38 residues pruned to eliminate duplicates Z: 17 6.301 1.735 0.312 0.166 0.812 0.438 CB 1.279 17 residues pruned to eliminate duplicates Z: 20 7.108 1.656 0.385 0.194 0.842 0.421 CB 1.216 20 residues pruned to eliminate duplicates Z: 15 9.222 1.775 0.670 0.380 0.786 0.429 CB 1.203 15 residues pruned to eliminate duplicates Z: 11 8.117 1.790 0.664 0.341 0.800 0.300 CB 1.281 11 residues pruned to eliminate duplicates Z: 11 5.054 1.687 0.544 0.160 0.800 0.200 N 1.161 11 residues pruned to eliminate duplicates Z: 10 8.275 1.758 0.720 0.432 0.778 0.444 CB 1.258 10 residues pruned to eliminate duplicates Z: 12 8.990 1.802 0.880 0.393 0.636 0.364 CB 1.408 12 residues pruned to eliminate duplicates Z: 14 9.865 1.796 0.716 0.440 0.846 0.462 CB 1.117 14 residues pruned to eliminate duplicates Z: 18 9.467 1.817 0.518 0.485 0.824 0.412 CB 1.026 18 residues pruned to eliminate duplicates Z: 23 11.509 1.825 0.519 0.434 0.818 0.409 CB 1.159 26 residues pruned to eliminate duplicates Z: 8 14.646 1.629 0.845 0.878 1.000 1.000 N 1.336 8 residues pruned to eliminate duplicates Z: 8 9.511 1.752 0.625 0.598 0.857 0.429 CB 1.341 8 residues pruned to eliminate duplicates Z: 18 9.155 1.847 0.325 0.406 0.824 0.412 CB 1.216 11 residues pruned to eliminate duplicates Z: 6 3.732 1.600 0.402 0.299 0.800 0.200 O 1.164 Z: 6 2.166 1.323 0.305 0.310 0.800 0.400 O 0.866 6 residues pruned to eliminate duplicates Z: 19 6.809 1.727 0.599 0.275 0.667 0.278 CB 1.125 19 residues pruned to eliminate duplicates Z: 6 3.187 1.695 -0.187 0.364 1.000 0.200 CB 1.197 Z: 12 10.672 1.840 0.479 0.559 0.909 0.545 CB 1.229 12 residues pruned to eliminate duplicates Z: 21 12.114 1.892 0.575 0.385 0.850 0.250 CB 1.208 18 residues pruned to eliminate duplicates Z: 10 8.748 1.684 0.510 0.732 0.889 0.667 CB 1.047 10 residues pruned to eliminate duplicates Z: 23 14.232 1.940 0.369 0.521 0.864 0.636 CB 1.295 23 residues pruned to eliminate duplicates Z: 9 6.014 1.761 0.444 0.585 0.750 0.375 O 1.028 9 residues pruned to eliminate duplicates Z: 32 13.088 1.874 0.438 0.394 0.839 0.581 CB 1.164 32 residues pruned to eliminate duplicates Z: 22 14.627 1.995 0.589 0.514 0.810 0.571 CB 1.227 22 residues pruned to eliminate duplicates Z: 9 9.165 1.881 0.516 0.774 0.875 0.750 CB 1.020 9 residues pruned to eliminate duplicates Z: 11 10.158 1.937 0.645 0.595 0.800 0.500 CB 1.150 11 residues pruned to eliminate duplicates Z: 8 4.987 1.795 0.347 0.345 0.714 0.714 CB 1.291 Z: 8 3.012 1.320 0.742 0.459 0.571 0.429 N 0.904 4 residues pruned to eliminate duplicates Z: 9 3.642 1.296 0.522 0.499 0.625 0.375 CB 1.045 9 residues pruned to eliminate duplicates Z: 14 7.862 1.852 0.625 0.255 0.769 0.308 CB 1.247 16 residues pruned to eliminate duplicates Z: 7 4.785 1.602 0.383 0.317 0.833 0.333 CB 1.295 7 residues pruned to eliminate duplicates Z: 35 14.453 1.849 0.509 0.324 0.794 0.500 CB 1.357 71 residues pruned to eliminate duplicates Z: 6 5.871 1.825 -0.017 0.445 1.000 0.600 N 1.548 Z: 19 16.655 1.877 0.433 0.703 0.944 0.444 CB 1.285 Z: 14 11.864 1.878 0.515 0.717 0.923 0.462 CB 1.030 14 residues pruned to eliminate duplicates Z: 23 12.129 1.956 0.333 0.341 0.818 0.409 CB 1.442 17 residues pruned to eliminate duplicates Z: 17 15.118 1.876 0.460 0.731 0.875 0.562 CB 1.280 16 residues pruned to eliminate duplicates Z: 17 17.368 1.903 0.407 0.823 1.000 0.688 CB 1.225 17 residues pruned to eliminate duplicates Z: 23 15.100 1.931 0.541 0.345 0.955 0.636 CB 1.342 22 residues pruned to eliminate duplicates Z: 16 14.910 1.938 0.383 0.815 0.933 0.667 CB 1.170 16 residues pruned to eliminate duplicates Z: 29 17.279 1.890 0.400 0.477 0.929 0.464 CB 1.360 61 residues pruned to eliminate duplicates Z: 11 8.710 1.904 0.178 0.877 0.900 0.800 CB 0.991 11 residues pruned to eliminate duplicates Z: 14 13.905 1.839 0.610 0.814 0.846 0.692 CB 1.171 14 residues pruned to eliminate duplicates Z: 31 17.869 1.878 0.437 0.566 0.900 0.633 CB 1.260 31 residues pruned to eliminate duplicates Z: 12 10.184 1.884 0.563 0.701 0.909 0.727 CB 0.955 12 residues pruned to eliminate duplicates Z: 11 8.583 1.837 0.413 0.797 0.900 0.800 CB 0.896 11 residues pruned to eliminate duplicates Z: 22 16.445 1.881 0.425 0.685 0.952 0.619 CB 1.186 22 residues pruned to eliminate duplicates Z: 47 20.324 1.900 0.650 0.490 0.848 0.565 CB 1.139 48 residues pruned to eliminate duplicates Z: 16 12.643 1.899 0.522 0.681 0.800 0.667 CB 1.196 16 residues pruned to eliminate duplicates Z: 29 19.154 1.915 0.552 0.586 0.857 0.607 CB 1.307 29 residues pruned to eliminate duplicates Z: 27 12.661 1.812 0.435 0.350 0.769 0.423 O 1.460 27 residues pruned to eliminate duplicates Z: 30 16.917 1.899 0.543 0.558 0.759 0.621 CB 1.336 30 residues pruned to eliminate duplicates Z: 12 11.732 1.856 0.630 0.516 0.818 0.545 CB 1.406 12 residues pruned to eliminate duplicates Z: 10 7.863 1.788 0.209 0.583 0.889 0.444 CB 1.259 10 residues pruned to eliminate duplicates Z: 10 8.174 1.896 0.334 0.567 0.889 0.444 CB 1.136 10 residues pruned to eliminate duplicates Z: 17 12.910 1.755 0.535 0.562 0.812 0.625 O 1.387 17 residues pruned to eliminate duplicates Z: 17 19.684 1.882 0.369 0.925 1.000 0.938 CB 1.341 17 residues pruned to eliminate duplicates Z: 11 12.985 1.890 0.936 0.874 1.000 0.900 CB 0.817 11 residues pruned to eliminate duplicates Z: 61 23.913 1.872 0.421 0.548 0.867 0.517 CB 1.278 61 residues pruned to eliminate duplicates Z: 20 17.758 1.865 0.802 0.768 0.842 0.579 CB 1.135 20 residues pruned to eliminate duplicates Z: 19 23.857 1.939 0.797 0.733 0.944 0.611 CB 1.385 19 residues pruned to eliminate duplicates Z: 15 18.898 1.881 0.789 0.848 0.929 0.571 CB 1.199 15 residues pruned to eliminate duplicates Z: 50 24.988 1.916 0.607 0.545 0.857 0.531 CB 1.295 51 residues pruned to eliminate duplicates Z: 16 20.831 1.931 0.697 0.875 0.933 0.867 CB 1.279 15 residues pruned to eliminate duplicates Z: 16 21.832 1.899 0.699 0.901 1.000 0.667 CB 1.247 16 residues pruned to eliminate duplicates Z: 50 28.332 1.896 0.623 0.604 0.898 0.694 CB 1.327 50 residues pruned to eliminate duplicates Z: 9 7.081 1.777 0.815 0.770 0.500 0.375 CB 1.222 9 residues pruned to eliminate duplicates Z: 14 8.765 1.692 0.599 0.716 0.846 0.385 CB 0.874 12 residues pruned to eliminate duplicates Z: 9 6.984 1.695 0.635 0.543 0.625 0.375 O 1.367 9 residues pruned to eliminate duplicates Z: 11 11.155 1.754 0.699 0.470 0.900 0.600 CB 1.357 11 residues pruned to eliminate duplicates Z: 11 8.980 1.868 0.402 0.603 0.900 0.500 CB 1.093 11 residues pruned to eliminate duplicates Z: 9 5.064 1.460 0.587 0.686 0.625 0.500 CB 1.043 Z: 10 8.508 1.521 0.623 0.760 0.889 0.333 CB 1.026 7 residues pruned to eliminate duplicates Z: 10 6.737 1.487 0.568 0.813 0.889 0.556 CB 0.825 10 residues pruned to eliminate duplicates Z: 12 5.768 1.496 0.483 0.581 0.909 0.455 CB 0.798 12 residues pruned to eliminate duplicates Z: 10 5.771 1.488 0.535 0.678 0.889 0.556 CB 0.804 10 residues pruned to eliminate duplicates Z: 7 5.937 1.550 0.985 0.906 1.000 1.000 CB 0.560 7 residues pruned to eliminate duplicates 6 1.310 1.448 0.595 0.615 0.800 0.400 CB 0.284 ? Z: 6 2.057 1.469 0.581 0.611 0.600 0.400 CB 0.594 6 residues pruned to eliminate duplicates Z: 7 4.062 1.745 0.286 0.565 0.667 0.167 N 1.040 7 residues pruned to eliminate duplicates Z: 11 4.801 1.545 0.438 0.380 0.800 0.200 CB 0.971 10 residues pruned to eliminate duplicates Z: 9 7.181 1.698 0.360 0.687 0.750 0.250 CB 1.236 9 residues pruned to eliminate duplicates Z: 8 4.359 1.719 0.204 0.603 0.571 0.429 N 1.263 8 residues pruned to eliminate duplicates Z: 6 7.094 1.771 0.334 0.697 0.800 0.600 N 1.402 6 residues pruned to eliminate duplicates Z: 12 5.574 1.623 0.369 0.664 0.545 0.455 CB 1.191 11 residues pruned to eliminate duplicates Z: 11 10.693 1.628 0.622 0.705 0.900 0.600 CB 1.181 12 residues pruned to eliminate duplicates Z: 12 9.475 1.496 0.885 0.817 0.727 0.545 CB 1.058 12 residues pruned to eliminate duplicates Z: 12 7.981 1.597 0.725 0.646 0.727 0.545 CB 1.048 12 residues pruned to eliminate duplicates Z: 10 6.998 1.478 0.616 0.520 0.889 0.333 CB 1.077 14 residues pruned to eliminate duplicates Z: 9 7.053 1.466 0.776 0.783 0.875 0.500 CB 0.853 6 residues pruned to eliminate duplicates Z: 8 5.360 1.519 0.538 0.797 0.714 0.571 CB 0.935 8 residues pruned to eliminate duplicates Z: 12 8.731 1.638 0.664 0.576 0.818 0.636 CB 1.097 12 residues pruned to eliminate duplicates Z: 14 6.823 1.383 0.751 0.766 0.923 0.462 CB 0.669 9 residues pruned to eliminate duplicates Z: 12 10.277 1.516 0.539 0.873 1.000 0.818 CB 0.967 29 residues pruned to eliminate duplicates Z: 15 10.126 1.378 0.648 0.843 1.000 0.786 CB 0.887 12 residues pruned to eliminate duplicates Z: 13 10.242 1.458 0.580 0.896 1.000 0.667 CB 0.919 13 residues pruned to eliminate duplicates Z: 16 10.737 1.531 0.565 0.665 0.933 0.600 CB 1.065 16 residues pruned to eliminate duplicates Z: 9 5.154 1.447 0.500 0.643 0.750 0.500 N 0.979 9 residues pruned to eliminate duplicates Z: 15 5.200 1.428 0.427 0.446 0.786 0.571 CB 0.918 15 residues pruned to eliminate duplicates Z: 14 6.124 1.539 0.524 0.594 0.692 0.462 CB 0.956 14 residues pruned to eliminate duplicates Z: 15 7.554 1.665 0.607 0.519 0.714 0.429 CB 1.036 15 residues pruned to eliminate duplicates Z: 12 12.043 1.633 0.577 0.694 0.909 0.636 CB 1.299 12 residues pruned to eliminate duplicates Z: 8 8.262 1.711 0.414 0.840 0.857 0.857 N 1.124 8 residues pruned to eliminate duplicates Z: 11 6.035 1.601 0.790 0.311 0.700 0.500 N 1.173 11 residues pruned to eliminate duplicates Z: 14 10.497 1.595 0.497 0.593 0.846 0.769 N 1.319 12 residues pruned to eliminate duplicates Z: 8 14.241 1.765 0.786 0.845 1.000 0.857 CB 1.270 11 residues pruned to eliminate duplicates Z: 6 3.020 1.309 0.669 0.295 0.800 0.400 CB 0.973 Z: 8 4.848 1.386 0.345 0.485 0.857 0.571 CB 1.163 13 residues pruned to eliminate duplicates Z: 8 5.442 1.371 0.617 0.366 0.857 0.429 CB 1.250 7 residues pruned to eliminate duplicates Z: 7 4.564 1.288 0.420 0.582 0.833 0.667 O 1.130 7 residues pruned to eliminate duplicates Z: 6 2.739 1.385 0.169 0.504 0.800 0.600 O 0.942 6 residues pruned to eliminate duplicates Z: 11 6.828 1.586 0.431 0.677 0.800 0.500 CB 1.011 10 residues pruned to eliminate duplicates Z: 9 6.271 1.565 0.435 0.650 1.000 0.625 CB 0.858 9 residues pruned to eliminate duplicates Z: 13 6.592 1.622 0.488 0.557 0.750 0.417 CB 0.994 13 residues pruned to eliminate duplicates Z: 8 7.197 1.720 0.787 0.662 0.857 0.429 CB 0.888 8 residues pruned to eliminate duplicates Z: 9 6.361 1.638 0.320 0.653 1.000 0.375 CB 0.903 5 residues pruned to eliminate duplicates Z: 10 12.174 1.641 0.668 0.855 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates Z: 9 8.265 1.664 0.668 0.838 0.875 0.750 CB 0.899 9 residues pruned to eliminate duplicates Z: 10 8.919 1.674 0.737 0.760 0.778 0.778 CB 1.043 10 residues pruned to eliminate duplicates Z: 11 6.553 1.529 0.400 0.743 0.800 0.500 CB 0.974 9 residues pruned to eliminate duplicates Z: 8 7.014 1.630 0.521 0.731 0.714 0.429 O 1.216 8 residues pruned to eliminate duplicates Z: 9 10.256 1.615 0.558 0.858 1.000 0.750 CB 1.061 9 residues pruned to eliminate duplicates Z: 9 7.420 1.649 0.672 0.800 0.750 0.625 CB 0.976 9 residues pruned to eliminate duplicates Z: 11 9.855 1.569 0.804 0.682 0.900 0.200 CB 1.035 12 residues pruned to eliminate duplicates Z: 10 7.340 1.590 0.752 0.834 0.889 0.667 CB 0.740 10 residues pruned to eliminate duplicates Z: 11 3.236 1.559 0.152 0.376 0.700 0.300 N 0.930 11 residues pruned to eliminate duplicates Z: 15 5.107 1.474 0.510 0.335 0.714 0.071 CB 1.028 13 residues pruned to eliminate duplicates Z: 7 2.129 1.341 0.117 0.621 0.667 0.500 CB 0.776 Z: 9 7.128 1.565 0.361 0.667 0.875 0.250 O 1.159 6 residues pruned to eliminate duplicates Z: 8 8.655 1.658 0.525 0.649 0.857 0.714 CB 1.314 9 residues pruned to eliminate duplicates Z: 8 8.335 1.684 0.479 0.630 0.857 0.571 CB 1.307 8 residues pruned to eliminate duplicates Z: 17 7.161 1.684 0.313 0.361 0.750 0.188 CB 1.254 16 residues pruned to eliminate duplicates Z: 9 5.436 1.513 0.460 0.578 0.750 0.375 N 1.075 9 residues pruned to eliminate duplicates Z: 11 8.914 1.734 0.566 0.559 0.800 0.100 CB 1.225 11 residues pruned to eliminate duplicates Z: 15 5.753 1.645 0.237 0.328 0.786 0.143 N 1.162 15 residues pruned to eliminate duplicates Z: 18 6.599 1.671 0.288 0.364 0.706 0.118 N 1.219 13 residues pruned to eliminate duplicates Z: 7 2.528 1.563 0.453 0.541 0.500 0.167 CB 0.873 7 residues pruned to eliminate duplicates Z: 20 7.075 1.603 0.178 0.423 0.737 0.263 CB 1.265 20 residues pruned to eliminate duplicates Z: 6 2.344 1.192 0.186 0.476 1.000 0.400 CB 0.759 Z: 7 3.827 1.272 0.346 0.591 1.000 0.167 CB 0.837 6 residues pruned to eliminate duplicates Z: 6 4.889 1.427 0.278 0.548 1.000 0.600 CB 1.143 13 residues pruned to eliminate duplicates Z: 10 4.661 1.664 0.068 0.397 0.778 0.222 CB 1.254 10 residues pruned to eliminate duplicates Z: 10 9.115 1.920 0.067 0.797 0.889 0.778 CB 1.286 9 residues pruned to eliminate duplicates Z: 10 9.282 1.780 0.553 0.858 1.000 0.778 CB 0.824 10 residues pruned to eliminate duplicates Z: 11 8.835 1.819 0.359 0.620 0.900 0.700 CB 1.122 11 residues pruned to eliminate duplicates Z: 16 8.128 1.818 0.371 0.505 0.800 0.600 CB 1.047 16 residues pruned to eliminate duplicates Z: 8 13.654 1.975 0.461 0.735 1.000 0.857 CB 1.448 8 residues pruned to eliminate duplicates Z: 11 7.975 1.786 0.567 0.514 0.800 0.700 CB 1.111 11 residues pruned to eliminate duplicates Z: 26 12.990 1.820 0.355 0.421 0.920 0.520 CB 1.244 29 residues pruned to eliminate duplicates Z: 9 11.711 1.835 0.460 0.843 1.000 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 11 7.768 1.763 0.364 0.722 0.800 0.700 CB 1.045 11 residues pruned to eliminate duplicates Z: 15 17.412 1.948 0.586 0.842 0.929 0.786 CB 1.209 15 residues pruned to eliminate duplicates Z: 14 16.063 1.890 0.682 0.758 0.846 0.615 CB 1.316 24 residues pruned to eliminate duplicates Z: 10 14.550 1.882 0.986 0.557 0.889 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 13 15.922 1.898 0.874 0.838 0.917 0.750 CB 1.053 16 residues pruned to eliminate duplicates Z: 14 22.436 1.905 0.831 0.865 1.000 0.769 CB 1.307 13 residues pruned to eliminate duplicates Z: 16 17.260 1.817 0.819 0.754 0.933 0.600 CB 1.152 16 residues pruned to eliminate duplicates Z: 15 16.719 1.885 0.817 0.686 0.857 0.500 CB 1.284 15 residues pruned to eliminate duplicates Z: 13 18.567 1.926 0.907 0.836 0.833 0.667 CB 1.311 13 residues pruned to eliminate duplicates Z: 13 19.385 2.027 0.848 0.846 0.917 0.833 CB 1.211 13 residues pruned to eliminate duplicates Z: 13 20.875 1.951 0.864 0.834 0.917 0.833 CB 1.355 13 residues pruned to eliminate duplicates Z: 23 19.567 1.936 0.671 0.678 0.864 0.682 CB 1.268 23 residues pruned to eliminate duplicates Z: 13 21.290 1.943 0.984 0.826 0.917 0.667 CB 1.312 13 residues pruned to eliminate duplicates Z: 25 23.017 1.944 0.687 0.619 0.917 0.625 CB 1.396 25 residues pruned to eliminate duplicates Z: 24 17.902 1.953 0.559 0.608 0.826 0.565 CB 1.340 24 residues pruned to eliminate duplicates Z: 26 18.304 1.894 0.672 0.517 0.880 0.600 CB 1.292 26 residues pruned to eliminate duplicates Z: 13 9.060 1.865 0.316 0.426 0.833 0.417 CB 1.380 13 residues pruned to eliminate duplicates Z: 23 13.668 1.829 0.477 0.379 0.909 0.500 N 1.350 23 residues pruned to eliminate duplicates Z: 29 21.781 1.899 0.680 0.626 0.857 0.643 CB 1.337 29 residues pruned to eliminate duplicates Z: 6 7.641 1.698 0.609 0.450 1.000 0.800 N 1.316 6 residues pruned to eliminate duplicates Z: 9 9.129 1.762 0.105 0.662 1.000 0.625 CB 1.426 9 residues pruned to eliminate duplicates Z: 29 9.280 1.720 0.336 0.239 0.750 0.393 CB 1.376 29 residues pruned to eliminate duplicates Z: 11 6.010 1.620 0.480 0.407 0.800 0.400 CB 1.092 11 residues pruned to eliminate duplicates Z: 16 8.623 1.802 0.308 0.247 0.933 0.400 CB 1.355 16 residues pruned to eliminate duplicates Z: 35 12.804 1.704 0.423 0.403 0.765 0.500 CB 1.312 39 residues pruned to eliminate duplicates Z: 10 6.101 1.736 0.046 0.574 0.889 0.444 CB 1.172 10 residues pruned to eliminate duplicates Z: 16 6.139 1.684 0.274 0.349 0.733 0.467 CB 1.186 16 residues pruned to eliminate duplicates Z: 28 9.379 1.666 0.254 0.420 0.815 0.481 CB 1.153 28 residues pruned to eliminate duplicates Z: 29 14.019 1.736 0.359 0.503 0.893 0.500 CB 1.254 29 residues pruned to eliminate duplicates Z: 11 5.052 1.758 0.322 0.389 0.800 0.500 CB 0.966 11 residues pruned to eliminate duplicates Z: 14 3.270 1.642 0.271 0.320 0.462 0.154 CB 1.148 14 residues pruned to eliminate duplicates Z: 10 5.364 1.516 0.420 0.447 0.778 0.333 CB 1.128 10 residues pruned to eliminate duplicates Z: 11 3.353 1.564 0.160 0.326 0.800 0.200 CB 0.884 11 residues pruned to eliminate duplicates Z: 12 3.783 1.568 0.439 0.289 0.636 0.273 CB 1.006 5 residues pruned to eliminate duplicates Z: 8 2.808 1.678 0.167 0.423 0.571 0.143 CB 1.028 8 residues pruned to eliminate duplicates Z: 9 4.122 1.642 0.489 0.458 0.750 0.125 CB 0.830 9 residues pruned to eliminate duplicates Z: 6 3.496 1.656 0.597 0.234 0.600 0.200 N 1.342 11 residues pruned to eliminate duplicates Z: 7 3.303 1.422 0.630 0.403 0.667 0.167 N 0.966 7 residues pruned to eliminate duplicates Z: 13 8.185 1.702 0.314 0.395 0.917 0.583 CB 1.288 13 residues pruned to eliminate duplicates Z: 20 7.867 1.656 0.424 0.341 0.737 0.316 CB 1.234 20 residues pruned to eliminate duplicates Z: 11 5.253 1.627 0.246 0.495 0.700 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 6 6.666 1.829 0.124 0.754 0.800 0.600 CB 1.445 6 residues pruned to eliminate duplicates Z: 21 6.919 1.652 0.297 0.351 0.700 0.450 CB 1.213 20 residues pruned to eliminate duplicates Z: 6 3.026 1.308 0.678 0.431 1.000 0.600 CB 0.663 6 residues pruned to eliminate duplicates Z: 17 4.155 1.509 0.419 0.399 0.750 0.438 CB 0.719 17 residues pruned to eliminate duplicates Z: 10 3.060 1.517 0.346 0.365 0.667 0.444 CB 0.867 10 residues pruned to eliminate duplicates Z: 12 2.658 1.542 0.309 0.287 0.636 0.364 CB 0.793 9 residues pruned to eliminate duplicates Z: 14 13.523 1.696 0.462 0.810 0.923 0.692 CB 1.251 13 residues pruned to eliminate duplicates Z: 10 16.978 1.895 0.758 0.791 0.889 0.667 O 1.481 10 residues pruned to eliminate duplicates Z: 11 13.281 1.782 0.703 0.726 1.000 0.900 N 1.129 11 residues pruned to eliminate duplicates Z: 13 14.631 1.831 0.784 0.742 0.833 0.583 CB 1.249 13 residues pruned to eliminate duplicates Z: 18 13.061 1.764 0.604 0.604 0.882 0.647 CB 1.149 18 residues pruned to eliminate duplicates Z: 36 20.505 1.850 0.671 0.551 0.829 0.514 CB 1.288 46 residues pruned to eliminate duplicates Z: 14 18.825 1.772 0.670 0.871 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 12 18.713 1.905 0.927 0.851 0.909 0.636 CB 1.251 12 residues pruned to eliminate duplicates Z: 13 13.906 1.722 0.805 0.743 0.917 0.667 CB 1.133 13 residues pruned to eliminate duplicates Z: 40 18.436 1.764 0.761 0.564 0.744 0.359 CB 1.201 40 residues pruned to eliminate duplicates Z: 7 2.538 1.480 -0.063 0.530 0.833 0.500 CB 0.871 Z: 6 2.129 1.469 0.048 0.361 0.800 0.400 CB 0.899 3 residues pruned to eliminate duplicates Z: 9 8.115 1.906 0.458 0.860 1.000 0.875 CB 0.759 9 residues pruned to eliminate duplicates Z: 11 8.114 1.845 0.515 0.598 0.800 0.600 CB 1.045 11 residues pruned to eliminate duplicates Z: 18 10.107 1.861 0.515 0.560 0.765 0.471 CB 1.073 18 residues pruned to eliminate duplicates Z: 8 7.526 1.834 0.645 0.684 0.714 0.714 CB 1.115 8 residues pruned to eliminate duplicates Z: 25 14.353 1.884 0.415 0.547 0.917 0.708 CB 1.146 25 residues pruned to eliminate duplicates Z: 16 16.024 1.914 0.761 0.583 0.933 0.533 CB 1.215 16 residues pruned to eliminate duplicates Z: 16 14.787 1.925 0.591 0.608 1.000 0.800 CB 1.125 16 residues pruned to eliminate duplicates Z: 39 19.970 1.847 0.557 0.485 0.895 0.553 CB 1.278 39 residues pruned to eliminate duplicates Z: 15 13.770 1.813 0.499 0.918 0.929 0.857 CB 1.029 15 residues pruned to eliminate duplicates Z: 15 15.958 2.012 0.739 0.678 0.929 0.929 CB 1.114 15 residues pruned to eliminate duplicates Z: 17 14.371 1.916 0.672 0.683 0.938 0.938 CB 1.011 17 residues pruned to eliminate duplicates Z: 24 16.364 1.908 0.580 0.474 0.957 0.739 CB 1.215 24 residues pruned to eliminate duplicates Z: 17 15.795 1.917 0.850 0.623 0.938 0.750 CB 1.058 17 residues pruned to eliminate duplicates Z: 26 17.167 1.858 0.715 0.550 0.880 0.600 CB 1.166 26 residues pruned to eliminate duplicates Z: 24 19.433 1.938 0.640 0.615 0.957 0.739 CB 1.196 24 residues pruned to eliminate duplicates Z: 35 16.918 1.795 0.525 0.444 0.941 0.559 CB 1.193 35 residues pruned to eliminate duplicates Z: 24 20.498 1.925 0.807 0.624 0.957 0.739 CB 1.143 24 residues pruned to eliminate duplicates Z: 40 21.654 1.895 0.603 0.560 0.897 0.667 CB 1.200 40 residues pruned to eliminate duplicates Z: 28 18.843 1.843 0.707 0.573 0.963 0.815 CB 1.115 28 residues pruned to eliminate duplicates Z: 24 17.780 1.916 0.649 0.572 0.913 0.696 CB 1.198 24 residues pruned to eliminate duplicates Z: 26 16.574 1.859 0.649 0.559 0.920 0.560 CB 1.110 26 residues pruned to eliminate duplicates Z: 26 19.981 1.912 0.694 0.540 0.960 0.680 CB 1.236 26 residues pruned to eliminate duplicates Z: 28 18.715 1.868 0.566 0.543 0.963 0.704 CB 1.226 28 residues pruned to eliminate duplicates Z: 41 28.260 1.911 0.788 0.542 0.925 0.625 CB 1.357 41 residues pruned to eliminate duplicates Z: 19 22.074 1.905 0.745 0.683 0.889 0.833 O 1.488 21 residues pruned to eliminate duplicates Z: 16 23.490 1.915 0.792 0.803 0.867 0.800 CB 1.564 16 residues pruned to eliminate duplicates Z: 31 18.777 1.840 0.522 0.488 0.867 0.600 CB 1.429 31 residues pruned to eliminate duplicates Z: 47 20.839 1.833 0.483 0.504 0.891 0.565 CB 1.263 47 residues pruned to eliminate duplicates Z: 44 26.157 1.886 0.605 0.570 0.953 0.581 CB 1.292 44 residues pruned to eliminate duplicates Z: 40 20.335 1.886 0.623 0.519 0.872 0.641 CB 1.197 40 residues pruned to eliminate duplicates Z: 45 23.197 1.879 0.675 0.478 0.841 0.477 CB 1.351 36 residues pruned to eliminate duplicates Z: 16 22.730 1.852 0.778 0.837 0.933 0.867 N 1.429 16 residues pruned to eliminate duplicates Z: 50 27.616 1.885 0.563 0.600 0.939 0.633 CB 1.297 50 residues pruned to eliminate duplicates Z: 16 21.203 1.805 0.832 0.824 0.933 0.733 N 1.339 16 residues pruned to eliminate duplicates Z: 25 19.741 1.849 0.685 0.558 0.792 0.583 CB 1.544 25 residues pruned to eliminate duplicates Z: 26 21.644 1.903 0.746 0.568 0.880 0.720 CB 1.387 26 residues pruned to eliminate duplicates Z: 42 26.914 1.905 0.738 0.594 0.878 0.732 CB 1.322 42 residues pruned to eliminate duplicates Z: 13 22.654 1.999 0.855 0.734 0.917 0.667 CB 1.559 13 residues pruned to eliminate duplicates Z: 8 12.027 1.804 0.972 0.640 0.857 0.714 N 1.308 8 residues pruned to eliminate duplicates Z: 29 19.990 1.862 0.656 0.516 0.857 0.643 CB 1.407 29 residues pruned to eliminate duplicates Z: 34 18.389 1.809 0.586 0.489 0.818 0.424 CB 1.379 34 residues pruned to eliminate duplicates Z: 49 28.154 1.872 0.636 0.579 0.896 0.604 CB 1.373 49 residues pruned to eliminate duplicates Z: 20 11.081 1.713 0.506 0.501 0.789 0.421 CB 1.247 20 residues pruned to eliminate duplicates Z: 7 8.257 1.797 0.264 0.548 1.000 0.333 CB 1.416 7 residues pruned to eliminate duplicates Z: 7 2.837 1.192 0.296 0.407 1.000 0.500 CB 0.826 7 residues pruned to eliminate duplicates Z: 10 9.204 1.773 0.420 0.469 0.889 0.333 CB 1.414 10 residues pruned to eliminate duplicates Z: 10 5.437 1.650 0.177 0.473 0.778 0.333 CB 1.233 10 residues pruned to eliminate duplicates Z: 14 10.938 1.772 0.774 0.461 0.769 0.615 N 1.305 13 residues pruned to eliminate duplicates Z: 17 21.730 1.755 0.739 0.842 0.938 0.812 CB 1.415 17 residues pruned to eliminate duplicates Z: 10 13.299 1.871 0.771 0.626 0.778 0.667 N 1.528 10 residues pruned to eliminate duplicates Z: 10 12.210 1.894 0.457 0.634 0.889 0.556 CB 1.463 10 residues pruned to eliminate duplicates Z: 13 13.536 1.809 0.516 0.571 0.917 0.500 CB 1.452 13 residues pruned to eliminate duplicates Z: 15 18.729 1.879 0.758 0.687 0.929 0.786 CB 1.375 15 residues pruned to eliminate duplicates Z: 16 20.090 1.857 0.679 0.781 1.000 0.733 CB 1.299 16 residues pruned to eliminate duplicates Z: 15 22.439 1.896 0.752 0.792 0.929 0.643 CB 1.505 15 residues pruned to eliminate duplicates Z: 17 18.044 1.818 0.690 0.774 0.938 0.750 CB 1.229 17 residues pruned to eliminate duplicates Z: 16 13.261 1.922 0.621 0.438 0.867 0.467 CB 1.352 16 residues pruned to eliminate duplicates Z: 28 25.522 1.849 0.727 0.694 0.963 0.704 CB 1.337 45 residues pruned to eliminate duplicates Z: 44 28.186 1.881 0.680 0.611 0.860 0.558 CB 1.422 19 residues pruned to eliminate duplicates Z: 15 23.113 1.848 0.670 0.894 1.000 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 26 20.396 1.878 0.687 0.638 0.840 0.680 CB 1.348 16 residues pruned to eliminate duplicates Z: 6 6.940 1.567 0.459 0.802 1.000 0.600 CB 1.043 7 residues pruned to eliminate duplicates Z: 9 5.252 1.305 0.818 0.793 0.750 0.375 CB 0.807 9 residues pruned to eliminate duplicates Z: 7 6.761 1.527 0.744 0.791 0.833 0.500 CB 0.963 8 residues pruned to eliminate duplicates Z: 7 6.471 1.531 0.489 0.777 0.833 0.500 CB 1.089 7 residues pruned to eliminate duplicates Z: 6 2.945 1.584 0.685 0.224 0.600 0.200 N 1.136 Z: 14 12.664 1.662 0.351 0.852 0.923 0.769 CB 1.253 13 residues pruned to eliminate duplicates Z: 13 13.686 1.701 0.425 0.863 0.917 0.833 O 1.305 13 residues pruned to eliminate duplicates Z: 14 13.054 1.658 0.465 0.825 0.923 0.846 CB 1.219 14 residues pruned to eliminate duplicates Z: 10 10.512 1.712 0.389 0.780 0.889 0.556 CB 1.294 10 residues pruned to eliminate duplicates Z: 9 11.187 1.726 0.659 0.603 0.875 0.625 N 1.431 9 residues pruned to eliminate duplicates Z: 13 11.279 1.714 0.393 0.780 0.833 0.667 CB 1.279 14 residues pruned to eliminate duplicates Z: 13 13.998 1.689 0.583 0.851 0.917 0.917 CB 1.220 13 residues pruned to eliminate duplicates Z: 12 9.748 1.702 0.447 0.772 0.727 0.545 CB 1.290 12 residues pruned to eliminate duplicates Z: 12 10.775 1.673 0.441 0.679 0.909 0.727 CB 1.257 12 residues pruned to eliminate duplicates Z: 12 13.115 1.701 0.660 0.753 0.909 0.727 CB 1.229 12 residues pruned to eliminate duplicates Z: 16 11.731 1.673 0.671 0.620 0.733 0.467 CB 1.319 13 residues pruned to eliminate duplicates Z: 14 13.562 1.660 0.439 0.803 0.923 0.692 CB 1.309 13 residues pruned to eliminate duplicates Z: 17 10.384 1.770 0.581 0.670 0.938 0.625 CB 0.846 17 residues pruned to eliminate duplicates Z: 16 10.209 1.798 0.621 0.618 0.867 0.600 CB 0.933 16 residues pruned to eliminate duplicates Z: 25 16.202 1.754 0.687 0.510 0.875 0.542 CB 1.265 25 residues pruned to eliminate duplicates Z: 26 12.452 1.769 0.437 0.525 0.880 0.480 CB 1.086 26 residues pruned to eliminate duplicates Z: 25 13.915 1.817 0.652 0.453 0.833 0.417 CB 1.192 25 residues pruned to eliminate duplicates Z: 12 2.934 1.513 0.161 0.281 0.818 0.182 CB 0.788 12 residues pruned to eliminate duplicates Z: 16 4.557 1.711 0.160 0.143 0.800 0.267 CB 1.152 16 residues pruned to eliminate duplicates Z: 12 4.420 1.690 0.330 0.133 0.818 0.273 N 1.144 12 residues pruned to eliminate duplicates Z: 27 10.364 1.725 0.480 0.288 0.769 0.308 CB 1.315 27 residues pruned to eliminate duplicates Z: 7 4.158 1.776 0.329 0.113 0.833 0.333 CB 1.409 7 residues pruned to eliminate duplicates Z: 9 3.588 1.696 0.145 0.171 0.750 0.250 CB 1.298 9 residues pruned to eliminate duplicates Z: 15 6.086 1.649 0.199 0.340 0.786 0.357 CB 1.246 15 residues pruned to eliminate duplicates Z: 17 12.564 1.655 0.480 0.526 1.000 0.625 O 1.250 17 residues pruned to eliminate duplicates Z: 19 12.875 1.710 0.479 0.509 0.944 0.556 CB 1.260 19 residues pruned to eliminate duplicates Z: 25 11.180 1.728 0.343 0.492 0.833 0.625 CB 1.190 25 residues pruned to eliminate duplicates Z: 21 12.451 1.774 0.692 0.510 0.750 0.500 CB 1.225 21 residues pruned to eliminate duplicates Z: 25 13.083 1.737 0.635 0.471 0.875 0.500 CB 1.107 43 residues pruned to eliminate duplicates Z: 20 11.264 1.791 0.680 0.440 0.789 0.474 CB 1.157 20 residues pruned to eliminate duplicates Z: 19 12.342 1.826 0.775 0.414 0.778 0.500 CB 1.262 19 residues pruned to eliminate duplicates Z: 18 10.481 1.818 0.496 0.457 0.824 0.471 CB 1.186 18 residues pruned to eliminate duplicates Z: 35 13.782 1.817 0.462 0.406 0.824 0.441 CB 1.193 35 residues pruned to eliminate duplicates Z: 15 10.833 1.780 0.546 0.628 0.786 0.500 CB 1.187 15 residues pruned to eliminate duplicates Z: 15 12.961 1.818 0.715 0.710 0.857 0.429 CB 1.071 15 residues pruned to eliminate duplicates 929 residues left after pruning, divided into chains as follows: A: 9 B: 8 C: 6 D: 7 E: 7 F: 12 G: 6 H: 7 I: 8 J: 13 K: 10 L: 59 M: 23 N: 11 O: 85 P: 17 Q: 17 R: 13 S: 19 T: 8 U: 18 V: 70 W: 12 X: 11 Y: 17 Z: 9 Z: 9 Z: 9 Z: 11 Z: 31 Z: 69 Z: 28 Z: 67 Z: 73 Z: 7 Z: 17 Z: 106 Z: 20 CC for partial structure against native data = 35.02 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.557, Connect. = 0.725 for dens.mod. cycle 1 = 0.300, Contrast = 0.642, Connect. = 0.745 for dens.mod. cycle 2 = 0.300, Contrast = 0.744, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.758, Connect. = 0.770 for dens.mod. cycle 4 = 0.300, Contrast = 0.769, Connect. = 0.772 for dens.mod. cycle 5 = 0.300, Contrast = 0.775, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.779, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.781, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.782, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.783, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3849 peaks > 0.5 sigma used to seed fragment search Space for about 2150 unique residues taking solvent into account 972 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 7 11.641 1.870 0.516 0.799 1.000 0.667 CB 1.291 B: 10 12.024 1.915 0.496 0.875 0.778 0.667 CB 1.308 C: 14 18.165 1.998 0.684 0.733 0.769 0.538 CB 1.579 D: 14 22.689 1.989 0.717 0.792 1.000 0.692 CB 1.426 10 residues pruned to eliminate duplicates E: 16 33.237 2.041 1.057 0.922 0.933 0.867 CB 1.541 14 residues pruned to eliminate duplicates F: 14 17.418 1.802 0.601 0.816 1.000 0.538 CB 1.273 G: 7 4.071 1.689 0.232 0.462 0.667 0.500 O 1.246 H: 13 21.255 1.806 0.888 0.847 1.000 0.917 CB 1.336 I: 20 11.991 1.807 0.595 0.358 0.842 0.632 CB 1.321 J: 15 20.693 1.948 0.709 0.805 0.857 0.714 CB 1.485 15 residues pruned to eliminate duplicates K: 18 7.357 1.832 0.463 0.492 0.529 0.412 CB 1.267 7 residues pruned to eliminate duplicates L: 11 3.679 1.737 0.551 0.267 0.500 0.200 CB 1.125 M: 6 8.714 1.999 0.625 0.460 0.800 0.800 CB 1.562 N: 7 8.074 1.767 0.343 0.629 1.000 0.333 O 1.231 7 residues pruned to eliminate duplicates O: 18 11.657 1.937 0.219 0.556 0.765 0.529 N 1.482 P: 8 7.737 1.922 0.388 0.788 0.857 0.286 CB 0.993 Q: 6 4.156 1.749 0.392 0.479 0.600 0.400 O 1.299 R: 6 5.797 1.827 0.234 0.669 0.800 0.600 CB 1.229 S: 10 6.962 1.710 0.892 0.345 0.778 0.222 CB 1.091 T: 13 15.120 2.020 0.898 0.579 0.750 0.500 CB 1.406 13 residues pruned to eliminate duplicates U: 10 8.713 1.837 0.549 0.839 1.000 0.889 CB 0.762 10 residues pruned to eliminate duplicates V: 7 5.884 1.707 0.757 0.347 0.833 0.333 N 1.135 6 residues pruned to eliminate duplicates W: 6 3.508 1.491 0.193 0.630 0.800 0.600 CB 0.976 X: 18 19.429 1.938 0.824 0.794 0.824 0.588 CB 1.251 Y: 7 3.436 1.714 0.205 0.245 0.833 0.500 CB 1.095 Z: 20 8.959 1.944 0.591 0.283 0.737 0.368 CB 1.152 Z: 13 7.525 1.950 0.410 0.376 0.750 0.583 CB 1.203 7 residues pruned to eliminate duplicates Z: 16 21.125 1.783 0.825 0.828 0.933 0.733 N 1.353 Z: 18 25.896 2.034 0.786 0.875 1.000 0.824 CB 1.258 18 residues pruned to eliminate duplicates Z: 13 8.521 1.891 0.218 0.554 1.000 0.583 CB 1.014 Z: 12 8.824 1.917 0.386 0.324 0.818 0.636 CB 1.484 Z: 9 6.612 1.776 0.290 0.781 0.875 0.625 CB 0.910 Z: 12 15.455 1.966 0.775 0.746 0.818 0.364 CB 1.310 12 residues pruned to eliminate duplicates Z: 6 2.877 1.624 0.303 0.463 0.600 0.600 N 1.053 Z: 13 19.627 1.763 0.837 0.884 1.000 0.917 CB 1.263 12 residues pruned to eliminate duplicates Z: 8 8.956 1.817 0.859 0.532 0.714 0.429 CB 1.360 Z: 11 13.491 1.807 0.677 0.774 0.900 0.900 CB 1.228 Z: 7 6.509 1.824 0.308 0.768 1.000 0.667 CB 0.878 Z: 8 3.085 1.498 -0.014 0.607 0.714 0.429 O 0.998 Z: 17 12.089 1.645 0.285 0.814 0.938 0.812 CB 1.160 Z: 7 4.737 1.902 0.047 0.787 0.833 0.833 CB 0.906 Z: 21 29.251 1.987 0.616 0.912 1.000 0.750 CB 1.442 15 residues pruned to eliminate duplicates Z: 20 17.533 1.770 0.836 0.792 0.842 0.526 CB 1.138 Z: 7 2.817 1.899 0.119 0.798 0.667 0.667 CB 0.625 7 residues pruned to eliminate duplicates Z: 10 15.602 1.841 1.027 0.912 0.889 0.889 CB 1.110 Z: 6 7.270 1.652 0.677 0.589 1.000 0.600 CB 1.078 Z: 13 19.864 1.844 0.535 0.910 1.000 0.917 CB 1.437 18 residues pruned to eliminate duplicates Z: 15 12.887 1.810 0.507 0.839 1.000 0.571 CB 0.943 Z: 10 16.411 1.868 0.788 0.836 1.000 0.667 CB 1.226 Z: 14 19.126 1.801 0.615 0.888 1.000 0.846 CB 1.314 13 residues pruned to eliminate duplicates Z: 13 14.608 1.876 0.585 0.796 0.917 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 8 4.316 1.719 0.291 0.453 0.571 0.571 O 1.350 8 residues pruned to eliminate duplicates Z: 10 5.498 1.803 0.782 0.246 0.667 0.444 CB 1.147 Z: 8 14.658 1.988 0.701 0.697 1.000 0.857 O 1.369 Z: 14 4.653 1.766 0.699 0.290 0.615 0.231 CB 0.885 Z: 10 15.403 1.777 0.990 0.684 1.000 1.000 CB 1.226 Z: 9 2.605 1.509 0.656 0.261 0.500 0.250 CB 0.969 Z: 10 10.372 1.743 0.389 0.734 0.889 0.667 CB 1.301 Z: 12 9.651 1.754 0.693 0.740 0.818 0.455 CB 0.965 Z: 14 18.500 1.827 0.561 0.880 1.000 0.846 CB 1.304 14 residues pruned to eliminate duplicates Z: 14 11.483 1.877 0.351 0.877 0.846 0.615 CB 1.077 Z: 10 16.578 2.041 0.458 0.891 1.000 1.000 CB 1.335 10 residues pruned to eliminate duplicates Z: 15 20.593 1.902 0.748 0.868 1.000 1.000 CB 1.210 11 residues pruned to eliminate duplicates Z: 13 13.314 1.767 0.885 0.739 0.833 0.500 CB 1.117 14 residues pruned to eliminate duplicates Z: 18 23.726 1.962 0.766 0.803 0.882 0.765 CB 1.445 17 residues pruned to eliminate duplicates Z: 20 16.842 1.956 0.583 0.614 0.842 0.474 CB 1.331 12 residues pruned to eliminate duplicates Z: 12 13.207 1.966 0.894 0.748 0.727 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 15 6.112 1.696 0.182 0.499 0.786 0.286 CB 1.038 Z: 11 9.646 1.910 0.279 0.696 0.800 0.300 CB 1.305 10 residues pruned to eliminate duplicates Z: 13 21.593 1.905 0.675 0.885 1.000 0.750 CB 1.411 16 residues pruned to eliminate duplicates Z: 11 5.433 1.847 0.312 0.369 0.800 0.700 CB 1.020 Z: 6 2.809 1.498 1.193 0.291 0.800 0.400 CB 0.604 Z: 11 24.696 2.065 0.809 0.924 1.000 1.000 CB 1.468 12 residues pruned to eliminate duplicates Z: 13 12.743 1.666 0.649 0.652 0.917 0.583 CB 1.268 Z: 23 16.267 1.901 0.424 0.469 0.955 0.727 CB 1.386 28 residues pruned to eliminate duplicates Z: 9 10.756 1.833 0.765 0.782 0.750 0.500 O 1.223 13 residues pruned to eliminate duplicates Z: 12 13.053 1.747 0.903 0.875 1.000 0.818 CB 0.861 12 residues pruned to eliminate duplicates Z: 13 18.996 1.887 0.525 0.918 1.000 0.917 CB 1.344 13 residues pruned to eliminate duplicates Z: 7 9.839 1.869 1.211 0.759 1.000 0.833 CB 0.772 Z: 16 29.619 1.996 0.822 0.831 1.000 0.533 CB 1.580 16 residues pruned to eliminate duplicates Z: 6 4.568 1.569 0.480 0.772 0.600 0.400 O 1.153 Z: 11 9.455 1.671 0.440 0.906 1.000 0.900 CB 0.884 9 residues pruned to eliminate duplicates Z: 6 6.252 1.847 0.351 0.881 1.000 1.000 CB 0.811 Z: 9 8.092 1.821 0.517 0.500 0.875 0.500 CB 1.183 Z: 11 8.542 1.800 0.583 0.774 0.800 0.400 CB 0.930 11 residues pruned to eliminate duplicates Z: 11 4.411 1.900 0.038 0.505 0.800 0.700 CB 0.879 3 residues pruned to eliminate duplicates Z: 22 14.611 1.767 0.338 0.785 0.952 0.714 CB 1.102 17 residues pruned to eliminate duplicates Z: 13 8.768 1.900 0.562 0.306 1.000 0.500 CB 1.059 10 residues pruned to eliminate duplicates Z: 14 9.922 1.714 0.490 0.494 0.846 0.615 CB 1.281 6 residues pruned to eliminate duplicates Z: 16 19.149 1.859 0.584 0.875 1.000 0.733 CB 1.221 15 residues pruned to eliminate duplicates Z: 12 9.568 1.625 0.737 0.590 0.727 0.636 CB 1.290 12 residues pruned to eliminate duplicates Z: 11 15.288 1.821 0.695 0.814 0.900 0.800 O 1.325 11 residues pruned to eliminate duplicates Z: 10 7.667 1.887 -0.059 0.869 1.000 0.889 CB 1.051 11 residues pruned to eliminate duplicates Z: 15 12.072 1.742 0.251 0.888 0.929 0.857 CB 1.148 13 residues pruned to eliminate duplicates Z: 9 5.018 1.677 0.392 0.395 0.875 0.500 CB 0.971 Z: 20 22.169 1.772 0.604 0.865 1.000 0.895 CB 1.311 25 residues pruned to eliminate duplicates Z: 14 20.503 1.961 0.914 0.782 1.000 0.385 CB 1.182 14 residues pruned to eliminate duplicates Z: 7 10.308 1.803 0.439 0.680 1.000 0.667 CB 1.374 9 residues pruned to eliminate duplicates Z: 7 4.983 2.004 0.472 0.696 0.833 0.667 CB 0.692 7 residues pruned to eliminate duplicates Z: 11 5.304 1.720 0.298 0.339 0.900 0.700 CB 0.995 Z: 15 11.193 1.648 0.304 0.824 0.929 0.857 CB 1.133 15 residues pruned to eliminate duplicates Z: 8 8.229 1.794 0.704 0.744 0.714 0.714 CB 1.144 7 residues pruned to eliminate duplicates Z: 7 4.034 1.352 0.106 0.807 1.000 0.833 N 0.843 Z: 13 8.365 1.511 0.257 0.492 1.000 0.583 N 1.282 13 residues pruned to eliminate duplicates Z: 16 34.649 2.016 1.049 0.902 1.000 0.867 CB 1.544 16 residues pruned to eliminate duplicates Z: 21 20.096 1.837 0.471 0.885 0.950 0.800 CB 1.264 22 residues pruned to eliminate duplicates Z: 19 22.570 1.855 0.606 0.894 1.000 0.889 O 1.281 19 residues pruned to eliminate duplicates Z: 21 24.494 1.855 0.715 0.855 0.950 0.850 CB 1.338 19 residues pruned to eliminate duplicates Z: 12 10.976 1.843 0.568 0.837 0.909 0.364 CB 0.943 10 residues pruned to eliminate duplicates Z: 9 3.975 1.477 0.308 0.371 0.750 0.500 CB 1.113 Z: 16 12.641 1.782 0.197 0.928 1.000 0.933 CB 1.071 14 residues pruned to eliminate duplicates Z: 9 4.847 1.607 0.174 0.605 0.875 0.500 CB 0.940 Z: 18 7.955 1.890 0.448 0.456 0.706 0.471 CB 1.045 12 residues pruned to eliminate duplicates Z: 12 12.600 1.947 0.806 0.486 0.818 0.636 CB 1.339 12 residues pruned to eliminate duplicates Z: 8 16.106 1.928 0.643 0.874 1.000 0.714 CB 1.398 8 residues pruned to eliminate duplicates Z: 10 8.507 1.626 0.325 0.542 0.889 0.556 CB 1.421 10 residues pruned to eliminate duplicates Z: 8 8.310 1.886 0.351 0.818 1.000 0.857 CB 0.935 8 residues pruned to eliminate duplicates Z: 6 2.188 1.656 0.026 0.298 0.600 0.600 O 1.203 Z: 16 6.329 1.698 0.192 0.444 0.800 0.667 CB 1.068 Z: 13 18.675 1.778 0.906 0.816 1.000 0.750 CB 1.209 13 residues pruned to eliminate duplicates Z: 15 9.516 1.894 0.719 0.320 0.714 0.500 CB 1.333 15 residues pruned to eliminate duplicates Z: 32 15.533 1.844 0.386 0.477 0.903 0.613 CB 1.237 30 residues pruned to eliminate duplicates Z: 10 10.403 1.718 0.527 0.747 0.889 0.667 CB 1.193 10 residues pruned to eliminate duplicates Z: 10 10.032 1.776 0.387 0.882 1.000 0.889 CB 0.982 12 residues pruned to eliminate duplicates Z: 8 3.511 1.477 0.289 0.576 0.571 0.429 N 1.133 8 residues pruned to eliminate duplicates Z: 16 7.499 1.590 0.697 0.278 0.867 0.333 CB 1.065 Z: 16 18.904 1.765 0.830 0.905 0.867 0.800 CB 1.241 12 residues pruned to eliminate duplicates Z: 6 3.791 1.495 0.282 0.414 0.800 0.600 N 1.210 6 residues pruned to eliminate duplicates Z: 15 19.860 1.707 0.990 0.849 1.000 0.571 CB 1.158 14 residues pruned to eliminate duplicates Z: 18 9.176 1.785 0.648 0.306 0.882 0.353 CB 1.064 13 residues pruned to eliminate duplicates Z: 13 8.561 1.709 0.480 0.817 0.750 0.250 CB 0.989 Z: 10 5.327 1.566 0.039 0.825 0.889 0.778 CB 0.927 6 residues pruned to eliminate duplicates Z: 9 8.646 1.691 0.462 0.512 0.875 0.625 CB 1.397 9 residues pruned to eliminate duplicates Z: 12 9.492 1.733 0.298 0.770 0.909 0.818 CB 1.102 Z: 10 10.703 1.862 0.374 0.675 0.889 0.667 CB 1.335 Z: 10 10.522 1.679 0.781 0.465 0.889 0.556 N 1.367 10 residues pruned to eliminate duplicates Z: 8 5.757 1.441 0.651 0.548 0.857 0.286 CB 1.018 Z: 12 8.332 1.608 0.388 0.557 0.909 0.636 CB 1.171 6 1.759 1.453 0.875 0.296 0.600 0.400 CB 0.605 ? Z: 7 4.517 1.845 0.247 0.244 0.833 0.667 O 1.292 Z: 9 4.541 1.695 0.174 0.263 0.875 0.375 CB 1.209 Z: 11 17.818 1.895 0.879 0.878 0.900 0.800 CB 1.276 11 residues pruned to eliminate duplicates Z: 15 8.122 1.768 0.600 0.330 0.714 0.214 CB 1.295 8 residues pruned to eliminate duplicates Z: 12 5.008 1.620 0.453 0.109 0.818 0.182 CB 1.287 7 residues pruned to eliminate duplicates Z: 11 13.598 1.727 0.516 0.828 1.000 0.800 CB 1.237 10 residues pruned to eliminate duplicates Z: 12 9.945 1.586 0.655 0.707 0.909 0.727 CB 1.041 10 residues pruned to eliminate duplicates Z: 24 20.607 1.833 0.659 0.847 0.913 0.696 CB 1.149 24 residues pruned to eliminate duplicates Z: 12 11.412 1.740 0.394 0.540 1.000 0.818 O 1.364 Z: 11 8.956 1.566 0.791 0.702 0.900 0.400 CB 0.934 Z: 13 16.205 1.814 0.700 0.823 0.917 0.417 CB 1.250 13 residues pruned to eliminate duplicates Z: 7 3.172 1.620 0.291 0.083 0.833 0.167 N 1.274 Z: 27 7.841 1.719 0.430 0.454 0.577 0.346 N 1.136 31 residues pruned to eliminate duplicates Z: 14 9.889 1.867 0.204 0.773 1.000 0.769 CB 0.958 13 residues pruned to eliminate duplicates Z: 16 20.466 2.009 0.689 0.794 0.933 0.333 CB 1.290 16 residues pruned to eliminate duplicates Z: 15 28.830 2.041 0.684 0.911 1.000 0.929 CB 1.589 15 residues pruned to eliminate duplicates Z: 13 16.176 1.829 0.575 0.929 1.000 0.917 CB 1.134 12 residues pruned to eliminate duplicates Z: 8 7.739 1.668 0.120 0.758 1.000 0.714 O 1.245 Z: 10 13.517 1.831 0.808 0.857 0.889 0.889 CB 1.129 10 residues pruned to eliminate duplicates Z: 7 3.865 1.515 0.200 0.488 1.000 0.667 O 0.878 Z: 24 26.660 1.975 0.804 0.876 0.913 0.826 CB 1.242 24 residues pruned to eliminate duplicates Z: 6 6.928 1.632 0.324 0.733 1.000 0.800 N 1.163 Z: 10 20.446 2.100 0.792 0.814 0.889 0.778 CB 1.550 10 residues pruned to eliminate duplicates Z: 10 12.984 1.649 0.508 0.871 0.889 0.889 O 1.428 Z: 8 7.681 1.830 0.144 0.822 1.000 0.857 CB 1.049 Z: 16 23.665 1.896 0.801 0.852 0.933 0.533 N 1.419 16 residues pruned to eliminate duplicates Z: 13 15.798 1.836 0.531 0.886 1.000 0.833 CB 1.171 13 residues pruned to eliminate duplicates Z: 7 2.300 1.581 0.096 0.304 0.667 0.500 CB 1.011 Z: 10 3.013 1.606 0.413 0.240 0.667 0.333 CB 0.897 Z: 8 3.508 1.187 0.811 0.723 0.857 0.714 CB 0.589 8 residues pruned to eliminate duplicates Z: 8 8.332 1.661 0.343 0.836 0.857 0.857 CB 1.233 7 residues pruned to eliminate duplicates Z: 17 5.707 1.574 0.422 0.376 0.625 0.375 N 1.164 17 residues pruned to eliminate duplicates Z: 8 3.816 1.485 0.807 0.311 0.857 0.429 CB 0.773 Z: 7 3.812 1.826 0.273 0.322 1.000 0.667 CB 0.814 7 residues pruned to eliminate duplicates Z: 16 18.689 1.737 0.559 0.851 0.933 0.733 CB 1.413 16 residues pruned to eliminate duplicates Z: 13 17.522 1.785 0.439 0.931 1.000 1.000 O 1.376 13 residues pruned to eliminate duplicates Z: 10 5.540 1.752 0.417 0.543 0.778 0.667 CB 0.917 9 residues pruned to eliminate duplicates Z: 11 10.716 1.719 0.632 0.854 0.800 0.200 CB 1.115 11 residues pruned to eliminate duplicates Z: 10 5.747 1.688 0.394 0.457 0.778 0.444 CB 1.094 6 residues pruned to eliminate duplicates Z: 6 2.289 1.308 0.477 0.425 0.800 0.800 CB 0.716 Z: 16 12.694 1.816 0.539 0.602 0.800 0.600 CB 1.330 14 residues pruned to eliminate duplicates Z: 11 5.373 1.786 0.264 0.261 0.700 0.400 N 1.413 11 residues pruned to eliminate duplicates Z: 14 6.851 1.780 0.758 0.317 0.769 0.308 CB 0.967 Z: 8 5.825 1.591 0.170 0.680 1.000 0.714 CB 1.003 Z: 7 6.174 1.857 0.146 0.671 0.833 0.500 O 1.213 Z: 16 29.337 2.006 0.863 0.873 1.000 0.667 CB 1.476 16 residues pruned to eliminate duplicates Z: 6 8.112 1.758 0.453 0.670 0.800 0.400 CB 1.518 Z: 7 6.025 1.755 0.461 0.823 1.000 1.000 CB 0.725 7 residues pruned to eliminate duplicates Z: 40 26.911 1.971 0.702 0.642 0.846 0.564 CB 1.330 39 residues pruned to eliminate duplicates Z: 13 5.070 1.622 0.136 0.412 0.833 0.583 CB 1.046 Z: 8 5.940 1.765 0.106 0.488 0.857 0.429 N 1.358 6 1.654 1.538 -0.200 0.300 0.600 0.600 O 1.253 ? Z: 12 4.151 1.692 0.016 0.383 0.727 0.273 CB 1.134 Z: 8 13.124 1.833 0.875 0.804 1.000 0.857 CB 1.106 12 residues pruned to eliminate duplicates Z: 9 5.806 1.686 0.135 0.535 0.750 0.625 O 1.382 10 residues pruned to eliminate duplicates Z: 14 18.288 1.775 0.960 0.856 0.846 0.846 N 1.270 14 residues pruned to eliminate duplicates Z: 14 23.296 1.959 0.830 0.861 1.000 0.615 CB 1.324 16 residues pruned to eliminate duplicates Z: 6 6.676 1.745 0.165 0.816 0.800 0.800 CB 1.395 6 residues pruned to eliminate duplicates Z: 16 9.806 1.904 0.518 0.461 0.800 0.333 CB 1.139 12 residues pruned to eliminate duplicates Z: 14 4.216 1.569 0.009 0.244 0.846 0.308 CB 1.173 Z: 12 6.795 1.801 0.297 0.369 0.818 0.545 CB 1.234 10 residues pruned to eliminate duplicates Z: 9 9.001 1.650 0.196 0.822 1.000 0.875 O 1.219 8 residues pruned to eliminate duplicates Z: 9 11.300 1.780 0.596 0.861 0.875 0.625 CB 1.181 16 residues pruned to eliminate duplicates Z: 12 21.558 2.051 1.033 0.828 0.818 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 10 7.659 1.769 0.889 0.774 1.000 0.667 CB 0.600 Z: 8 10.062 1.849 0.183 0.884 1.000 0.714 CB 1.256 8 residues pruned to eliminate duplicates Z: 9 11.782 1.916 1.104 0.720 0.875 0.625 CB 0.968 8 residues pruned to eliminate duplicates Z: 8 7.431 1.692 0.524 0.674 1.000 0.714 CB 0.928 8 residues pruned to eliminate duplicates Z: 8 6.285 1.711 0.304 0.443 0.857 0.429 CB 1.317 Z: 20 7.998 1.735 0.429 0.459 0.737 0.421 CB 1.047 18 residues pruned to eliminate duplicates Z: 12 6.542 1.545 0.268 0.443 1.000 0.636 N 1.068 Z: 13 21.426 1.959 0.657 0.890 1.000 0.917 CB 1.370 13 residues pruned to eliminate duplicates Z: 26 13.912 1.829 0.439 0.399 0.840 0.560 CB 1.400 26 residues pruned to eliminate duplicates Z: 12 10.746 1.833 0.611 0.678 0.727 0.545 CB 1.281 Z: 6 4.478 1.773 -0.188 0.706 1.000 0.600 CB 1.153 Z: 10 9.905 1.624 0.408 0.826 1.000 0.778 CB 1.089 9 residues pruned to eliminate duplicates Z: 8 7.362 1.820 0.705 0.670 0.714 0.714 CB 1.073 8 residues pruned to eliminate duplicates Z: 42 27.909 1.913 0.634 0.593 0.976 0.756 CB 1.308 42 residues pruned to eliminate duplicates Z: 6 2.720 1.941 1.238 0.864 0.800 0.800 CB 0.257 Z: 10 6.748 1.758 0.769 0.882 0.889 0.778 CB 0.588 Z: 11 4.672 1.612 0.384 0.321 0.800 0.700 CB 1.008 11 residues pruned to eliminate duplicates Z: 11 6.536 1.633 0.622 0.501 0.900 0.600 CB 0.866 11 residues pruned to eliminate duplicates Z: 9 4.399 1.491 0.626 0.229 0.750 0.375 N 1.173 Z: 14 18.456 1.858 0.604 0.901 0.923 0.846 CB 1.328 14 residues pruned to eliminate duplicates Z: 7 2.587 1.787 0.182 0.310 0.500 0.333 CB 1.234 Z: 10 5.214 1.527 0.271 0.479 0.889 0.667 CB 1.030 Z: 8 4.468 1.828 0.140 0.519 0.714 0.714 CB 1.113 Z: 6 2.468 1.783 0.019 0.100 0.800 0.800 O 1.265 Z: 11 6.270 1.645 0.644 0.399 0.700 0.500 CB 1.165 8 residues pruned to eliminate duplicates Z: 14 9.101 1.801 0.435 0.446 0.923 0.769 CB 1.118 14 residues pruned to eliminate duplicates Z: 15 11.435 1.857 0.730 0.762 0.857 0.500 CB 0.879 15 residues pruned to eliminate duplicates Z: 14 20.652 1.885 0.856 0.824 0.846 0.769 CB 1.461 14 residues pruned to eliminate duplicates Z: 9 21.331 2.063 0.923 0.864 1.000 0.750 CB 1.394 9 residues pruned to eliminate duplicates 7 1.820 1.323 0.383 0.332 0.500 0.333 CB 0.976 ? Z: 9 2.498 1.482 0.073 0.251 0.625 0.625 O 1.183 Z: 6 2.598 1.499 0.608 0.303 0.600 0.600 N 1.000 Z: 7 5.149 1.590 -0.067 0.684 1.000 0.500 CB 1.197 Z: 7 7.406 1.697 0.711 0.675 0.667 0.500 N 1.329 5 residues pruned to eliminate duplicates Z: 15 3.178 1.631 0.135 0.218 0.714 0.286 CB 0.894 12 residues pruned to eliminate duplicates Z: 12 22.666 1.872 0.805 0.888 1.000 1.000 CB 1.457 14 residues pruned to eliminate duplicates Z: 7 2.184 1.765 0.632 0.883 1.000 0.833 CB 0.224 Z: 12 11.941 1.651 0.501 0.792 1.000 0.545 CB 1.124 10 residues pruned to eliminate duplicates Z: 8 6.781 1.661 0.337 0.793 0.714 0.571 CB 1.250 8 residues pruned to eliminate duplicates Z: 26 11.393 1.796 0.306 0.489 0.880 0.640 CB 1.117 24 residues pruned to eliminate duplicates Z: 8 2.533 1.563 0.440 0.237 0.571 0.429 CB 1.011 Z: 10 3.797 1.575 0.071 0.363 1.000 0.333 N 0.870 Z: 7 3.644 1.740 0.099 0.397 0.667 0.333 CB 1.301 Z: 16 22.508 1.928 0.692 0.840 0.933 0.667 CB 1.425 16 residues pruned to eliminate duplicates Z: 14 14.743 1.725 0.689 0.791 0.923 0.615 CB 1.178 14 residues pruned to eliminate duplicates Z: 6 3.263 1.437 0.470 0.775 0.600 0.200 CB 0.903 Z: 19 27.190 2.057 0.688 0.817 1.000 0.778 CB 1.402 19 residues pruned to eliminate duplicates Z: 10 4.900 1.465 0.133 0.421 0.889 0.556 CB 1.202 Z: 23 11.598 1.774 0.274 0.545 0.864 0.455 CB 1.212 23 residues pruned to eliminate duplicates Z: 21 17.450 1.774 0.847 0.662 0.800 0.500 CB 1.282 21 residues pruned to eliminate duplicates Z: 13 12.549 1.976 0.354 0.782 0.917 0.917 CB 1.152 13 residues pruned to eliminate duplicates Z: 10 4.044 1.536 0.361 0.261 1.000 0.333 CB 0.848 Z: 14 9.543 1.626 0.546 0.502 0.846 0.538 CB 1.242 14 residues pruned to eliminate duplicates Z: 15 13.841 1.833 0.559 0.768 0.929 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 9 6.056 1.609 0.684 0.314 1.000 0.500 CB 0.971 Z: 13 8.568 1.656 1.057 0.273 0.750 0.333 CB 1.252 17 residues pruned to eliminate duplicates Z: 9 3.722 1.515 0.272 0.371 0.750 0.375 CB 1.045 Z: 6 3.986 1.827 0.078 0.484 0.800 0.600 CB 1.150 Z: 13 4.805 1.736 0.119 0.344 0.667 0.417 CB 1.269 Z: 6 3.872 1.379 0.239 0.614 0.800 0.600 CB 1.137 Z: 11 5.874 1.461 0.535 0.441 0.800 0.500 N 1.100 Z: 25 17.864 1.736 0.599 0.820 0.875 0.667 CB 1.137 25 residues pruned to eliminate duplicates Z: 8 3.497 1.372 0.717 0.355 0.571 0.429 CA 1.148 8 0.749 1.404 0.218 0.071 0.429 0.286 N 0.676 ? Z: 7 6.733 1.675 0.393 0.596 0.833 0.833 N 1.290 Z: 8 6.664 1.740 0.300 0.684 0.857 0.571 CB 1.097 8 residues pruned to eliminate duplicates Z: 11 6.000 1.734 0.045 0.498 0.900 0.500 CB 1.165 22 residues pruned to eliminate duplicates Z: 7 11.617 1.898 0.206 0.852 1.000 1.000 CB 1.532 Z: 6 8.694 1.704 0.591 0.858 0.800 0.800 CB 1.320 Z: 7 6.482 1.597 0.297 0.601 1.000 0.833 CB 1.160 Z: 9 4.255 1.635 0.289 0.692 0.750 0.750 CB 0.798 9 residues pruned to eliminate duplicates 6 1.017 1.653 0.075 0.295 0.600 0.400 CB 0.537 ? 6 0.932 1.677 -0.057 0.547 0.600 0.600 CB 0.420 ? Z: 10 2.494 1.411 0.609 0.234 0.444 0.333 CB 1.122 Z: 17 10.893 1.526 0.752 0.686 0.750 0.500 CB 1.145 17 residues pruned to eliminate duplicates Z: 9 2.531 1.658 0.342 0.288 0.875 0.625 CB 0.583 9 residues pruned to eliminate duplicates Z: 16 6.042 1.826 0.062 0.321 0.867 0.267 CB 1.130 16 residues pruned to eliminate duplicates Z: 9 7.826 1.691 0.199 0.769 0.875 0.625 CB 1.229 9 residues pruned to eliminate duplicates Z: 6 6.468 1.494 0.814 0.738 0.800 0.800 CB 1.078 9 1.593 1.520 0.316 0.184 0.500 0.250 N 0.824 ? Z: 7 7.044 1.627 0.747 0.802 0.833 0.667 CB 0.933 8 residues pruned to eliminate duplicates Z: 9 9.673 1.611 0.403 0.874 1.000 1.000 O 1.101 10 residues pruned to eliminate duplicates Z: 13 6.796 1.730 0.175 0.547 0.917 0.500 CB 1.005 21 residues pruned to eliminate duplicates Z: 9 6.860 1.748 0.298 0.869 1.000 0.750 CB 0.781 Z: 14 7.706 1.944 0.237 0.418 0.692 0.385 CB 1.399 14 residues pruned to eliminate duplicates Z: 10 7.473 1.533 0.602 0.792 0.889 0.778 CB 0.883 Z: 11 3.664 1.506 0.545 0.279 0.700 0.400 CB 0.913 Z: 12 13.517 1.887 0.838 0.812 0.909 0.727 CB 0.986 12 residues pruned to eliminate duplicates Z: 6 2.302 1.679 -0.034 0.701 0.800 0.600 CB 0.660 Z: 7 3.800 1.567 0.706 0.241 0.667 0.333 N 1.175 Z: 9 5.965 1.532 0.230 0.809 0.875 0.875 CB 0.977 9 residues pruned to eliminate duplicates Z: 17 6.741 1.577 0.669 0.664 0.812 0.562 CB 0.677 17 residues pruned to eliminate duplicates Z: 8 6.109 1.665 0.806 0.766 0.857 0.429 CB 0.708 Z: 6 4.081 1.533 0.224 0.706 0.800 0.600 CB 1.008 6 residues pruned to eliminate duplicates 6 1.554 1.187 0.419 0.667 1.000 0.800 O 0.353 ? Z: 26 20.844 1.879 0.926 0.690 0.800 0.560 CB 1.210 25 residues pruned to eliminate duplicates Z: 8 10.195 1.689 0.729 0.896 1.000 1.000 CB 0.945 7 residues pruned to eliminate duplicates Z: 7 5.547 1.543 0.983 0.378 0.667 0.500 C 1.265 Z: 24 7.140 1.762 0.505 0.366 0.609 0.522 CB 1.065 11 residues pruned to eliminate duplicates Z: 6 2.227 1.356 0.072 0.502 0.800 0.400 CB 0.854 Z: 10 7.453 1.864 0.448 0.451 0.778 0.444 CB 1.245 12 residues pruned to eliminate duplicates Z: 13 3.365 1.553 0.341 0.315 0.500 0.167 CB 1.145 Z: 12 7.313 1.456 0.655 0.737 0.818 0.545 CB 0.904 Z: 7 3.954 1.525 0.606 0.508 0.667 0.333 O 0.981 7 residues pruned to eliminate duplicates Z: 6 4.757 1.541 0.535 0.721 0.800 0.800 CB 0.921 Z: 16 14.838 1.748 0.375 0.846 1.000 0.800 CB 1.184 16 residues pruned to eliminate duplicates Z: 6 5.128 1.465 0.982 0.352 1.000 0.400 CB 0.927 Z: 9 2.928 1.283 0.321 0.579 0.875 0.625 CB 0.647 Z: 17 11.716 1.538 0.597 0.742 0.938 0.812 CB 1.024 17 residues pruned to eliminate duplicates Z: 6 7.031 1.617 0.379 0.791 1.000 0.800 O 1.092 5 residues pruned to eliminate duplicates Z: 12 3.992 1.678 0.810 0.295 0.727 0.364 CB 0.685 Z: 12 8.246 1.795 0.420 0.851 0.818 0.636 CB 0.883 19 residues pruned to eliminate duplicates 7 1.717 1.539 0.233 0.139 0.667 0.500 CB 0.867 ? Z: 14 11.010 1.985 0.343 0.591 0.846 0.615 CB 1.241 14 residues pruned to eliminate duplicates Z: 8 5.288 1.727 0.725 0.567 0.857 0.571 CB 0.734 8 residues pruned to eliminate duplicates Z: 7 2.590 1.450 0.187 0.379 0.833 0.333 CB 0.839 Z: 12 8.488 1.718 0.212 0.479 1.000 0.273 CB 1.255 14 residues pruned to eliminate duplicates Z: 11 9.540 1.748 0.298 0.774 1.000 0.600 CB 1.043 11 residues pruned to eliminate duplicates Z: 7 2.485 1.483 0.302 0.561 0.667 0.667 CB 0.743 Z: 6 3.381 1.376 0.446 0.801 1.000 0.800 CB 0.584 Z: 7 4.352 1.455 0.732 0.782 0.667 0.500 CB 0.825 Z: 12 15.326 1.915 0.397 0.918 1.000 1.000 CB 1.217 12 residues pruned to eliminate duplicates Z: 10 12.080 1.725 0.559 0.820 0.889 0.889 O 1.277 12 residues pruned to eliminate duplicates Z: 15 5.370 1.745 0.307 0.478 0.571 0.429 CB 1.126 15 residues pruned to eliminate duplicates 6 1.078 1.255 0.520 0.377 0.600 0.600 CB 0.480 ? Z: 15 10.311 1.679 0.688 0.587 0.714 0.429 CB 1.253 14 residues pruned to eliminate duplicates Z: 6 3.409 1.463 -0.046 0.737 0.800 0.800 O 1.104 Z: 8 12.044 1.880 0.843 0.843 0.714 0.429 CB 1.370 8 residues pruned to eliminate duplicates Z: 6 3.989 1.756 0.184 0.813 1.000 0.800 CB 0.653 Z: 15 10.496 1.795 0.545 0.849 0.786 0.357 CB 0.954 15 residues pruned to eliminate duplicates Z: 7 3.632 1.902 0.051 0.494 0.667 0.500 CB 1.119 7 residues pruned to eliminate duplicates Z: 9 5.574 1.818 0.065 0.722 0.750 0.750 CB 1.111 9 residues pruned to eliminate duplicates Z: 8 3.712 1.676 0.384 0.392 0.714 0.429 CB 0.949 Z: 18 17.841 1.784 0.615 0.855 1.000 0.765 CB 1.108 18 residues pruned to eliminate duplicates Z: 13 10.356 1.824 0.874 0.560 0.667 0.333 CB 1.237 Z: 12 8.251 1.791 0.341 0.413 0.818 0.545 O 1.387 12 residues pruned to eliminate duplicates Z: 7 3.640 1.438 0.340 0.705 0.833 0.667 CB 0.768 6 1.380 1.188 0.175 0.356 0.800 0.400 O 0.645 ? Z: 7 2.736 1.530 0.157 0.245 0.667 0.333 N 1.269 Z: 7 2.578 1.598 0.152 0.312 0.833 0.333 CB 0.845 Z: 9 9.576 1.728 0.476 0.761 1.000 0.625 CB 1.053 Z: 15 12.037 1.655 0.439 0.831 1.000 0.714 CB 1.014 15 residues pruned to eliminate duplicates Z: 7 4.075 1.459 0.543 0.286 0.833 0.333 N 1.128 Z: 40 22.780 1.912 0.583 0.570 0.923 0.718 CB 1.220 40 residues pruned to eliminate duplicates Z: 13 12.346 1.788 0.591 0.584 1.000 0.583 CB 1.156 13 residues pruned to eliminate duplicates Z: 9 8.819 1.559 0.514 0.751 1.000 0.625 CB 1.055 15 residues pruned to eliminate duplicates Z: 22 16.723 1.811 0.943 0.708 0.857 0.476 CB 1.002 17 residues pruned to eliminate duplicates Z: 6 2.393 1.506 0.241 0.633 0.600 0.600 CB 0.842 6 residues pruned to eliminate duplicates Z: 7 6.786 1.563 0.776 0.528 0.833 0.333 CB 1.165 Z: 6 10.781 1.895 1.031 0.876 1.000 1.000 CB 0.910 6 residues pruned to eliminate duplicates Z: 12 4.058 1.410 0.311 0.724 0.909 0.727 CB 0.595 7 residues pruned to eliminate duplicates Z: 9 3.309 1.518 0.380 0.875 1.000 0.875 CB 0.406 6 1.496 1.167 1.030 0.294 0.400 0.400 O 0.890 ? Z: 6 3.126 1.579 0.104 0.397 0.800 0.400 N 1.117 3 residues pruned to eliminate duplicates Z: 9 9.101 1.688 0.286 0.874 0.875 0.875 CB 1.234 9 residues pruned to eliminate duplicates Z: 7 3.795 1.803 0.526 0.841 1.000 0.833 CB 0.420 Z: 7 8.325 1.757 0.941 0.807 1.000 0.833 CB 0.762 Z: 11 8.392 1.664 0.388 0.792 0.900 0.500 CB 0.988 10 residues pruned to eliminate duplicates Z: 7 6.585 1.675 0.815 0.291 1.000 0.667 CB 1.117 Z: 7 2.648 1.360 1.038 0.448 0.667 0.500 CB 0.617 Z: 6 6.927 1.412 0.932 0.766 0.800 0.800 N 1.121 Z: 12 13.936 1.697 0.479 0.895 1.000 0.909 CB 1.200 11 residues pruned to eliminate duplicates Z: 6 3.268 1.285 0.244 0.521 1.000 0.600 CB 0.895 Z: 12 4.898 1.643 0.403 0.425 0.909 0.545 CB 0.762 Z: 9 4.729 1.487 0.354 0.818 0.750 0.625 CB 0.840 Z: 19 12.855 1.750 0.306 0.634 0.833 0.611 CB 1.403 19 residues pruned to eliminate duplicates Z: 20 6.290 1.635 0.706 0.268 0.684 0.474 CB 0.985 12 residues pruned to eliminate duplicates Z: 7 8.609 1.818 0.272 0.897 1.000 1.000 CB 1.088 7 residues pruned to eliminate duplicates 7 1.880 1.370 0.161 0.371 0.500 0.167 CB 1.109 ? Z: 10 7.284 1.389 0.696 0.764 0.889 0.333 CB 0.917 Z: 7 4.968 1.401 0.666 0.396 0.833 0.667 CB 1.163 Z: 7 5.978 1.775 0.933 0.503 0.833 0.667 CB 0.851 Z: 6 3.060 1.521 0.002 0.453 0.800 0.600 N 1.178 Z: 7 3.190 1.481 -0.088 0.544 1.000 0.667 CB 0.923 Z: 8 5.401 1.532 0.672 0.635 0.857 0.429 CB 0.819 4 residues pruned to eliminate duplicates Z: 13 6.784 1.553 0.425 0.546 0.833 0.750 CB 1.015 Z: 20 11.156 1.429 0.515 0.790 0.947 0.895 CB 0.967 16 residues pruned to eliminate duplicates Z: 11 4.343 1.528 0.614 0.270 0.800 0.500 N 0.905 Z: 8 5.705 1.593 0.402 0.683 0.857 0.429 CB 0.952 8 residues pruned to eliminate duplicates Z: 11 6.816 1.558 0.623 0.468 0.900 0.600 CB 0.979 11 residues pruned to eliminate duplicates Z: 8 3.012 1.436 0.307 0.259 0.857 0.286 CB 0.931 Z: 11 9.439 1.683 0.815 0.758 0.800 0.400 CB 0.971 22 residues pruned to eliminate duplicates Z: 11 8.363 1.688 0.484 0.860 1.000 0.900 CB 0.776 7 residues pruned to eliminate duplicates Z: 15 22.556 1.852 1.251 0.821 0.857 0.500 CB 1.277 15 residues pruned to eliminate duplicates Z: 13 12.424 1.795 0.840 0.793 0.750 0.333 CB 1.120 13 residues pruned to eliminate duplicates Z: 12 4.322 1.576 0.524 0.340 0.636 0.364 CB 1.015 Z: 11 8.273 1.630 0.475 0.620 0.900 0.500 CB 1.079 Z: 53 25.978 1.981 0.787 0.478 0.827 0.538 CB 1.258 71 residues pruned to eliminate duplicates Z: 8 4.119 1.753 0.332 0.507 0.571 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 7 3.217 1.588 0.915 0.839 1.000 0.833 CB 0.322 Z: 8 5.941 1.210 1.158 0.348 1.000 0.429 CB 1.015 Z: 13 6.309 1.832 0.279 0.411 0.750 0.417 CB 1.138 7 residues pruned to eliminate duplicates Z: 9 9.851 1.710 0.539 0.628 1.000 0.500 CB 1.174 2 residues pruned to eliminate duplicates Z: 10 2.611 1.440 0.241 0.284 0.556 0.333 CB 1.119 Z: 11 4.992 1.504 0.063 0.408 0.900 0.500 O 1.208 Z: 8 3.778 1.417 0.245 0.360 0.857 0.286 CB 1.098 8 residues pruned to eliminate duplicates Z: 8 4.255 1.568 0.156 0.284 0.857 0.571 CB 1.320 Z: 8 6.431 1.801 0.889 0.620 1.000 1.000 CB 0.638 8 residues pruned to eliminate duplicates Z: 8 3.776 1.940 0.147 0.636 0.857 0.429 CB 0.658 8 residues pruned to eliminate duplicates Z: 8 6.766 1.426 0.375 0.830 1.000 0.714 O 0.981 Z: 10 11.299 1.636 0.472 0.876 1.000 0.889 CB 1.137 10 residues pruned to eliminate duplicates Z: 9 8.036 1.761 0.566 0.413 1.000 0.500 CB 1.128 Z: 6 5.149 1.607 0.399 0.839 1.000 0.800 CB 0.765 4 residues pruned to eliminate duplicates 6 0.752 1.623 0.738 0.868 1.000 1.000 CB 0.087 ? Z: 17 33.425 1.951 0.895 0.930 1.000 1.000 CB 1.580 17 residues pruned to eliminate duplicates Z: 7 6.169 1.527 0.198 0.584 1.000 0.500 CB 1.270 7 1.512 1.376 0.328 0.273 0.500 0.333 CB 0.874 ? Z: 9 5.049 1.584 0.107 0.675 0.750 0.375 O 1.156 8 residues pruned to eliminate duplicates Z: 27 15.184 1.864 0.509 0.503 0.923 0.692 CB 1.143 30 residues pruned to eliminate duplicates Z: 9 5.227 1.463 0.365 0.640 0.750 0.500 O 1.082 Z: 14 10.287 1.442 0.679 0.884 1.000 0.846 CB 0.852 9 residues pruned to eliminate duplicates Z: 11 7.948 1.783 0.209 0.581 0.800 0.700 CB 1.348 9 residues pruned to eliminate duplicates Z: 6 3.263 1.391 0.315 0.490 0.800 0.800 N 1.008 Z: 16 9.465 1.875 0.615 0.407 0.867 0.600 CB 1.026 16 residues pruned to eliminate duplicates Z: 15 9.401 1.551 0.401 0.846 0.929 0.643 CB 0.925 13 residues pruned to eliminate duplicates Z: 7 4.777 1.241 0.534 0.824 0.833 0.500 O 0.928 7 residues pruned to eliminate duplicates Z: 7 3.600 1.516 0.042 0.823 0.833 0.667 CB 0.844 Z: 8 2.550 1.526 0.096 0.205 0.857 0.429 CB 0.954 Z: 14 7.205 1.674 0.333 0.394 0.923 0.538 CB 1.085 22 residues pruned to eliminate duplicates Z: 8 6.383 1.373 0.834 0.765 0.857 0.714 CB 0.884 Z: 11 8.488 1.786 0.824 0.409 0.800 0.500 CB 1.132 12 residues pruned to eliminate duplicates Z: 6 2.489 1.526 0.016 0.337 0.800 0.600 N 1.072 5 residues pruned to eliminate duplicates Z: 9 6.647 1.442 0.662 0.800 0.750 0.500 O 1.006 8 residues pruned to eliminate duplicates Z: 15 5.538 1.629 0.386 0.370 0.643 0.286 CB 1.172 14 residues pruned to eliminate duplicates Z: 7 5.497 1.747 0.222 0.561 0.833 0.500 CB 1.188 Z: 11 8.663 1.553 0.722 0.666 0.800 0.800 CB 1.098 10 residues pruned to eliminate duplicates Z: 21 10.288 1.671 0.497 0.611 0.950 0.650 CB 0.872 21 residues pruned to eliminate duplicates Z: 11 6.606 1.656 0.133 0.400 0.900 0.600 CB 1.375 11 residues pruned to eliminate duplicates Z: 9 10.142 1.612 0.567 0.901 1.000 0.875 CB 1.014 12 residues pruned to eliminate duplicates Z: 10 5.493 1.712 0.301 0.737 0.667 0.556 CB 0.996 13 residues pruned to eliminate duplicates Z: 6 3.802 1.280 0.899 0.715 0.800 0.800 O 0.720 Z: 8 6.334 1.559 0.169 0.870 1.000 1.000 O 0.958 8 residues pruned to eliminate duplicates 6 1.874 1.196 0.374 0.341 0.800 0.600 O 0.759 ? Z: 7 3.148 1.615 0.242 0.333 0.833 0.500 CB 0.923 Z: 7 9.371 1.680 0.347 0.851 1.000 0.833 CB 1.250 8 residues pruned to eliminate duplicates Z: 21 10.703 1.747 0.474 0.370 0.850 0.550 CB 1.257 29 residues pruned to eliminate duplicates Z: 21 9.789 1.623 0.642 0.517 0.800 0.450 CB 1.010 21 residues pruned to eliminate duplicates Z: 7 3.629 1.752 0.758 0.366 0.833 0.500 CB 0.667 Z: 7 6.925 1.474 0.303 0.840 1.000 0.833 CB 1.099 Z: 14 8.050 1.570 0.525 0.752 0.846 0.385 CB 0.880 13 residues pruned to eliminate duplicates Z: 12 8.945 1.463 0.532 0.833 1.000 0.818 CB 0.903 12 residues pruned to eliminate duplicates Z: 9 5.311 1.488 0.517 0.609 1.000 0.375 CB 0.750 Z: 8 5.758 1.352 0.566 0.546 1.000 0.857 N 0.982 Z: 17 5.830 1.562 0.405 0.312 0.688 0.188 CB 1.189 24 residues pruned to eliminate duplicates Z: 13 5.519 1.497 0.680 0.274 0.750 0.250 CB 1.090 6 residues pruned to eliminate duplicates Z: 7 3.391 1.454 -0.156 0.525 1.000 0.833 N 1.101 4 residues pruned to eliminate duplicates Z: 12 9.107 1.564 0.496 0.567 0.909 0.727 CB 1.210 12 residues pruned to eliminate duplicates Z: 11 8.610 1.383 0.533 0.881 1.000 0.900 CB 0.930 11 residues pruned to eliminate duplicates Z: 6 7.984 1.646 0.261 0.852 1.000 1.000 CB 1.272 6 residues pruned to eliminate duplicates Z: 7 3.472 1.631 0.189 0.253 0.833 0.667 N 1.165 Z: 8 6.511 1.717 0.558 0.861 1.000 0.857 CB 0.676 6 residues pruned to eliminate duplicates Z: 6 3.292 1.265 1.198 0.647 0.800 0.600 CB 0.577 6 residues pruned to eliminate duplicates 6 1.898 1.785 -0.385 0.673 0.800 0.800 CB 0.824 ? Z: 6 3.249 1.306 0.060 0.738 1.000 0.600 CB 0.848 6 1.187 1.390 -0.117 0.103 0.800 0.200 N 0.896 ? Z: 8 4.957 1.388 0.243 0.801 0.857 0.714 CB 0.974 7 1.852 1.407 0.569 0.829 1.000 0.500 CB 0.258 ? Z: 8 3.151 1.585 0.083 0.609 0.857 0.857 CB 0.730 Z: 7 5.090 1.624 1.086 0.238 0.833 0.333 CB 0.997 Z: 8 8.275 1.665 0.586 0.739 1.000 0.857 CB 0.956 7 residues pruned to eliminate duplicates Z: 7 6.409 1.462 0.686 0.769 0.833 0.667 CB 1.004 7 residues pruned to eliminate duplicates Z: 12 9.153 1.553 0.421 0.813 0.909 0.818 CB 1.048 9 residues pruned to eliminate duplicates Z: 21 18.371 1.791 0.851 0.568 0.900 0.500 CB 1.289 21 residues pruned to eliminate duplicates Z: 14 6.201 1.782 0.142 0.377 0.769 0.462 CB 1.252 14 residues pruned to eliminate duplicates Z: 11 6.446 1.677 0.501 0.302 0.900 0.300 CB 1.122 11 residues pruned to eliminate duplicates Z: 10 2.713 1.638 0.250 0.225 0.667 0.333 CB 0.914 Z: 6 5.405 1.860 0.680 0.836 1.000 0.600 CB 0.579 Z: 6 2.686 1.666 0.319 0.130 0.800 0.200 N 1.085 Z: 6 4.175 1.374 0.364 0.458 0.800 0.800 CB 1.299 Using tripeptides from previous cycle as seeds Z: 7 3.438 1.644 0.108 0.475 1.000 0.333 CB 0.791 Z: 13 5.955 1.563 0.568 0.570 1.000 0.500 CB 0.655 13 residues pruned to eliminate duplicates Z: 9 5.996 1.556 0.501 0.752 1.000 0.500 CB 0.725 8 residues pruned to eliminate duplicates Z: 9 5.601 1.440 0.259 0.747 1.000 0.875 CB 0.876 9 residues pruned to eliminate duplicates Z: 9 7.501 1.560 0.726 0.673 0.875 0.500 CB 0.960 9 residues pruned to eliminate duplicates Z: 9 6.741 1.500 0.473 0.777 0.875 0.500 CB 0.965 9 residues pruned to eliminate duplicates Z: 9 4.409 1.536 0.688 0.700 0.875 0.750 CB 0.573 9 residues pruned to eliminate duplicates Z: 7 3.902 1.565 0.618 0.656 0.833 0.667 CB 0.653 7 residues pruned to eliminate duplicates Z: 15 5.020 1.504 0.173 0.390 0.786 0.286 CB 1.088 7 residues pruned to eliminate duplicates Z: 8 6.537 1.394 0.631 0.507 1.000 0.714 CB 1.079 8 residues pruned to eliminate duplicates Z: 9 5.782 1.711 0.582 0.418 0.875 0.625 CB 0.941 9 residues pruned to eliminate duplicates Z: 12 8.063 1.705 0.746 0.346 0.818 0.545 CB 1.180 12 residues pruned to eliminate duplicates Z: 15 7.724 1.618 0.756 0.336 0.786 0.357 CB 1.107 14 residues pruned to eliminate duplicates Z: 6 2.259 1.547 0.135 0.858 1.000 0.800 CB 0.424 6 residues pruned to eliminate duplicates Z: 11 2.692 1.681 0.129 0.154 0.700 0.100 CB 0.980 4 residues pruned to eliminate duplicates Z: 6 3.045 1.877 0.219 0.642 0.800 0.600 CB 0.651 6 residues pruned to eliminate duplicates Z: 10 6.435 1.980 0.393 0.483 0.778 0.556 CB 1.017 9 residues pruned to eliminate duplicates Z: 9 7.987 1.806 0.714 0.616 0.750 0.750 CB 1.090 10 residues pruned to eliminate duplicates Z: 8 6.708 1.760 0.467 0.571 0.857 0.571 CB 1.069 8 residues pruned to eliminate duplicates Z: 7 7.487 1.768 0.243 0.624 1.000 1.000 CB 1.238 7 residues pruned to eliminate duplicates Z: 8 8.766 1.765 0.295 0.692 1.000 0.714 CB 1.216 8 residues pruned to eliminate duplicates Z: 6 7.298 1.774 0.335 0.811 1.000 0.800 CB 1.051 6 residues pruned to eliminate duplicates Z: 7 8.406 1.752 0.383 0.660 1.000 0.833 CB 1.221 6 residues pruned to eliminate duplicates Z: 7 8.472 1.738 0.239 0.870 1.000 0.833 CB 1.173 7 residues pruned to eliminate duplicates Z: 7 7.870 1.751 0.431 0.683 1.000 0.667 CB 1.083 7 residues pruned to eliminate duplicates Z: 11 8.191 1.753 0.368 0.532 0.800 0.300 CB 1.309 11 residues pruned to eliminate duplicates Z: 16 10.182 1.620 0.325 0.664 1.000 0.667 O 1.053 16 residues pruned to eliminate duplicates Z: 11 9.809 1.903 0.109 0.765 0.900 0.600 O 1.291 11 residues pruned to eliminate duplicates Z: 9 9.309 1.898 0.562 0.600 0.750 0.500 CB 1.346 8 residues pruned to eliminate duplicates Z: 10 12.625 1.867 0.852 0.843 0.889 0.667 CB 1.020 11 residues pruned to eliminate duplicates Z: 13 15.032 1.745 0.509 0.879 1.000 0.333 CB 1.195 13 residues pruned to eliminate duplicates Z: 13 16.403 1.870 0.573 0.775 1.000 0.583 CB 1.263 13 residues pruned to eliminate duplicates Z: 13 16.922 1.883 0.470 0.817 1.000 0.667 CB 1.340 14 residues pruned to eliminate duplicates Z: 13 15.932 1.864 0.628 0.869 1.000 0.750 CB 1.107 13 residues pruned to eliminate duplicates Z: 20 11.736 1.760 0.542 0.523 0.842 0.474 CB 1.152 19 residues pruned to eliminate duplicates Z: 13 9.562 1.867 0.324 0.799 0.917 0.667 CB 0.938 12 residues pruned to eliminate duplicates Z: 10 8.477 1.697 0.221 0.688 1.000 0.778 CB 1.148 18 residues pruned to eliminate duplicates Z: 8 8.833 1.830 0.268 0.883 1.000 0.857 CB 1.041 8 residues pruned to eliminate duplicates Z: 16 5.599 1.553 0.467 0.378 0.733 0.467 CB 0.985 16 residues pruned to eliminate duplicates Z: 9 7.429 1.830 0.365 0.698 0.875 0.750 CB 1.003 9 residues pruned to eliminate duplicates Z: 10 9.655 1.758 0.402 0.567 1.000 0.778 CB 1.224 10 residues pruned to eliminate duplicates Z: 7 10.907 1.813 0.526 0.857 1.000 0.667 CB 1.186 7 residues pruned to eliminate duplicates Z: 7 12.918 1.840 0.570 0.864 1.000 0.667 CB 1.339 7 residues pruned to eliminate duplicates Z: 7 12.620 1.813 0.585 0.841 1.000 0.667 CB 1.337 7 residues pruned to eliminate duplicates Z: 14 9.818 1.565 0.650 0.491 0.846 0.462 O 1.257 14 residues pruned to eliminate duplicates Z: 8 4.014 1.626 0.313 0.468 0.571 0.143 O 1.285 8 residues pruned to eliminate duplicates Z: 16 11.529 1.753 0.424 0.627 0.867 0.467 CB 1.221 16 residues pruned to eliminate duplicates Z: 9 7.460 1.651 0.802 0.508 0.625 0.375 CB 1.407 7 residues pruned to eliminate duplicates Z: 15 7.924 1.535 0.608 0.436 0.786 0.429 CB 1.166 13 residues pruned to eliminate duplicates Z: 15 5.355 1.533 0.419 0.362 0.643 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 27 12.676 1.834 0.447 0.398 0.808 0.385 CB 1.292 31 residues pruned to eliminate duplicates Z: 12 13.348 1.770 0.606 0.749 0.818 0.364 N 1.385 13 residues pruned to eliminate duplicates Z: 32 15.057 1.829 0.538 0.497 0.774 0.548 CB 1.245 28 residues pruned to eliminate duplicates Z: 25 12.130 1.856 0.343 0.473 0.875 0.583 CB 1.167 25 residues pruned to eliminate duplicates Z: 14 15.823 1.796 0.611 0.800 0.846 0.692 CB 1.379 14 residues pruned to eliminate duplicates Z: 34 18.101 1.890 0.482 0.486 0.848 0.455 CB 1.345 34 residues pruned to eliminate duplicates Z: 25 15.695 1.871 0.482 0.537 0.875 0.667 CB 1.274 25 residues pruned to eliminate duplicates Z: 34 16.792 1.855 0.440 0.483 0.788 0.455 CB 1.413 35 residues pruned to eliminate duplicates Z: 22 11.975 1.890 0.199 0.607 0.810 0.571 CB 1.287 22 residues pruned to eliminate duplicates Z: 39 21.441 1.905 0.438 0.597 0.868 0.658 CB 1.332 39 residues pruned to eliminate duplicates Z: 23 12.665 1.923 0.347 0.459 0.773 0.591 CB 1.407 23 residues pruned to eliminate duplicates Z: 29 17.808 1.872 0.480 0.528 0.857 0.429 CB 1.379 28 residues pruned to eliminate duplicates Z: 19 10.780 1.845 0.514 0.502 0.722 0.333 CB 1.257 19 residues pruned to eliminate duplicates Z: 22 12.949 1.861 0.464 0.555 0.810 0.381 CB 1.215 22 residues pruned to eliminate duplicates Z: 15 8.881 1.854 0.528 0.363 0.786 0.357 CB 1.236 15 residues pruned to eliminate duplicates Z: 20 13.695 1.856 0.513 0.555 0.895 0.421 CB 1.185 20 residues pruned to eliminate duplicates Z: 38 22.368 1.919 0.501 0.637 0.838 0.514 CB 1.341 41 residues pruned to eliminate duplicates Z: 20 7.767 1.794 0.690 0.290 0.737 0.421 CB 1.009 20 residues pruned to eliminate duplicates Z: 24 16.440 1.934 0.660 0.342 0.870 0.391 CB 1.457 24 residues pruned to eliminate duplicates Z: 41 22.677 1.923 0.451 0.586 0.900 0.750 CB 1.315 41 residues pruned to eliminate duplicates Z: 39 20.273 1.889 0.506 0.503 0.842 0.395 CB 1.368 35 residues pruned to eliminate duplicates Z: 31 14.765 1.942 0.618 0.371 0.800 0.567 CB 1.232 31 residues pruned to eliminate duplicates Z: 40 24.633 1.949 0.468 0.649 0.897 0.538 CB 1.338 40 residues pruned to eliminate duplicates Z: 16 21.990 2.035 0.652 0.886 0.933 0.933 CB 1.305 16 residues pruned to eliminate duplicates Z: 19 32.707 2.132 0.940 0.905 0.944 0.722 CB 1.404 19 residues pruned to eliminate duplicates Z: 14 26.436 2.175 0.820 0.920 1.000 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 40 28.526 1.965 0.611 0.676 0.923 0.769 CB 1.330 40 residues pruned to eliminate duplicates Z: 17 22.303 2.103 0.835 0.753 0.875 0.750 CB 1.318 17 residues pruned to eliminate duplicates Z: 52 25.218 1.887 0.615 0.566 0.843 0.490 CB 1.289 52 residues pruned to eliminate duplicates Z: 38 20.197 1.938 0.568 0.536 0.784 0.351 CB 1.347 38 residues pruned to eliminate duplicates Z: 27 16.333 1.851 0.740 0.498 0.769 0.500 CB 1.295 27 residues pruned to eliminate duplicates Z: 35 20.816 1.980 0.591 0.544 0.824 0.529 CB 1.318 35 residues pruned to eliminate duplicates Z: 50 31.118 1.923 0.673 0.622 0.918 0.571 CB 1.341 50 residues pruned to eliminate duplicates Z: 18 24.339 2.004 0.864 0.652 0.882 0.529 CB 1.554 18 residues pruned to eliminate duplicates Z: 22 19.414 1.999 0.659 0.600 0.857 0.429 CB 1.355 22 residues pruned to eliminate duplicates Z: 24 23.902 1.941 0.789 0.630 0.826 0.478 CB 1.538 24 residues pruned to eliminate duplicates Z: 21 19.118 2.085 0.649 0.586 0.750 0.600 CB 1.527 21 residues pruned to eliminate duplicates Z: 21 27.755 2.106 0.782 0.765 0.950 0.700 CB 1.376 21 residues pruned to eliminate duplicates Z: 45 25.063 1.938 0.561 0.604 0.909 0.568 CB 1.244 45 residues pruned to eliminate duplicates Z: 30 29.741 1.999 0.738 0.702 0.931 0.517 CB 1.421 30 residues pruned to eliminate duplicates Z: 23 20.768 2.000 0.772 0.671 0.818 0.227 CB 1.304 23 residues pruned to eliminate duplicates Z: 14 11.714 1.739 0.731 0.509 0.846 0.462 CB 1.264 14 residues pruned to eliminate duplicates Z: 14 9.570 1.817 0.514 0.513 0.846 0.538 CB 1.125 14 residues pruned to eliminate duplicates Z: 57 32.570 1.944 0.682 0.650 0.929 0.500 CB 1.246 57 residues pruned to eliminate duplicates Z: 61 26.465 1.848 0.611 0.564 0.867 0.633 CB 1.245 61 residues pruned to eliminate duplicates Z: 51 32.763 1.940 0.694 0.656 0.920 0.660 CB 1.326 55 residues pruned to eliminate duplicates Z: 13 5.581 1.763 0.129 0.440 0.833 0.500 CB 1.033 13 residues pruned to eliminate duplicates Z: 12 9.725 1.722 0.445 0.525 0.909 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 17 6.646 1.702 0.257 0.346 0.875 0.562 CB 1.049 17 residues pruned to eliminate duplicates Z: 10 12.141 1.761 0.671 0.561 0.889 0.667 CB 1.458 10 residues pruned to eliminate duplicates Z: 32 18.687 1.864 0.671 0.500 0.839 0.581 CB 1.285 32 residues pruned to eliminate duplicates Z: 7 5.761 1.677 0.376 0.551 0.833 0.333 CB 1.164 6 residues pruned to eliminate duplicates Z: 7 6.224 1.673 0.317 0.674 0.667 0.667 CB 1.473 7 residues pruned to eliminate duplicates Z: 9 9.400 1.671 0.440 0.637 0.875 0.500 CB 1.388 8 residues pruned to eliminate duplicates Z: 9 11.677 1.586 0.655 0.748 0.875 0.375 N 1.441 8 residues pruned to eliminate duplicates Z: 16 10.644 1.585 0.427 0.716 1.000 0.467 CB 0.999 16 residues pruned to eliminate duplicates Z: 17 8.052 1.585 0.496 0.666 0.875 0.312 CB 0.832 17 residues pruned to eliminate duplicates Z: 6 2.436 1.390 0.124 0.439 0.800 0.200 N 0.929 6 residues pruned to eliminate duplicates Z: 13 6.927 1.462 0.660 0.564 0.917 0.333 N 0.845 13 residues pruned to eliminate duplicates Z: 10 9.460 1.746 0.491 0.907 1.000 1.000 CB 0.861 10 residues pruned to eliminate duplicates Z: 6 4.951 1.794 0.276 0.803 1.000 0.600 CB 0.742 6 residues pruned to eliminate duplicates Z: 9 8.924 1.785 0.249 0.891 1.000 0.875 CB 1.017 9 residues pruned to eliminate duplicates Z: 11 8.191 1.675 0.492 0.894 0.900 0.700 CB 0.826 11 residues pruned to eliminate duplicates Z: 14 8.164 1.582 0.516 0.816 0.923 0.769 CB 0.777 14 residues pruned to eliminate duplicates Z: 15 6.550 1.656 0.462 0.630 0.857 0.571 CB 0.746 15 residues pruned to eliminate duplicates Z: 8 4.915 1.726 0.649 0.611 0.714 0.286 CB 0.823 8 residues pruned to eliminate duplicates Z: 9 7.892 1.765 0.925 0.802 0.750 0.500 CB 0.841 9 residues pruned to eliminate duplicates Z: 12 6.645 1.693 0.535 0.536 0.818 0.545 CB 0.909 12 residues pruned to eliminate duplicates Z: 9 8.025 1.831 0.809 0.631 0.750 0.500 CB 1.010 9 residues pruned to eliminate duplicates Z: 11 6.374 1.722 0.608 0.504 0.800 0.500 CB 0.906 11 residues pruned to eliminate duplicates Z: 11 5.654 1.636 0.656 0.502 0.700 0.600 CB 0.941 11 residues pruned to eliminate duplicates Z: 8 4.739 1.601 0.339 0.275 0.857 0.429 CB 1.257 8 residues pruned to eliminate duplicates Z: 10 11.333 1.660 0.414 0.899 1.000 0.778 CB 1.150 10 residues pruned to eliminate duplicates Z: 9 11.832 1.728 0.324 0.803 1.000 0.875 CB 1.403 9 residues pruned to eliminate duplicates Z: 10 11.808 1.679 0.497 0.798 0.889 0.667 CB 1.356 10 residues pruned to eliminate duplicates Z: 9 12.701 1.807 0.432 0.761 1.000 0.875 CB 1.376 9 residues pruned to eliminate duplicates Z: 9 10.361 1.824 0.320 0.734 0.875 0.875 CB 1.410 8 residues pruned to eliminate duplicates Z: 10 15.196 1.744 0.397 0.920 1.000 0.889 CB 1.464 10 residues pruned to eliminate duplicates Z: 10 13.107 1.744 0.269 0.865 1.000 0.889 CB 1.446 10 residues pruned to eliminate duplicates Z: 10 13.829 1.741 0.497 0.877 1.000 0.778 CB 1.284 10 residues pruned to eliminate duplicates Z: 11 7.233 1.743 0.559 0.345 0.800 0.600 CB 1.246 18 residues pruned to eliminate duplicates Z: 10 9.982 1.760 0.267 0.827 1.000 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 9 8.356 1.786 0.490 0.473 0.875 0.625 CB 1.303 9 residues pruned to eliminate duplicates Z: 11 6.540 1.673 0.403 0.583 0.700 0.400 CB 1.162 11 residues pruned to eliminate duplicates Z: 12 5.828 1.669 0.341 0.449 0.727 0.364 CB 1.137 12 residues pruned to eliminate duplicates Z: 17 7.410 1.602 0.410 0.627 0.688 0.500 CB 1.059 16 residues pruned to eliminate duplicates Z: 14 10.896 1.691 0.435 0.874 0.769 0.538 CB 1.178 14 residues pruned to eliminate duplicates Z: 16 6.531 1.610 0.505 0.566 0.600 0.333 CB 1.088 16 residues pruned to eliminate duplicates Z: 8 4.886 1.562 0.994 0.599 0.714 0.286 CB 0.755 8 residues pruned to eliminate duplicates Z: 8 3.633 1.634 0.306 0.545 0.571 0.286 CB 1.078 5 residues pruned to eliminate duplicates Z: 12 11.166 1.616 0.835 0.545 0.818 0.727 N 1.328 23 residues pruned to eliminate duplicates Z: 24 8.759 1.647 0.533 0.287 0.870 0.478 CB 1.057 25 residues pruned to eliminate duplicates Z: 11 9.465 1.672 0.445 0.543 1.000 0.400 CB 1.188 11 residues pruned to eliminate duplicates Z: 15 8.301 1.735 0.435 0.382 0.857 0.571 CB 1.180 15 residues pruned to eliminate duplicates Z: 17 7.339 1.701 0.180 0.353 0.875 0.375 CB 1.226 17 residues pruned to eliminate duplicates Z: 7 5.363 1.698 0.315 0.529 1.000 0.333 CB 0.953 Z: 15 9.186 1.653 0.428 0.552 0.929 0.643 CB 1.065 22 residues pruned to eliminate duplicates Z: 16 7.962 1.621 0.383 0.376 0.867 0.333 CB 1.208 17 residues pruned to eliminate duplicates Z: 9 9.406 1.714 0.578 0.754 0.875 0.500 CB 1.120 9 residues pruned to eliminate duplicates Z: 11 10.952 1.838 0.403 0.670 0.900 0.600 CB 1.275 11 residues pruned to eliminate duplicates Z: 37 13.396 1.713 0.383 0.394 0.833 0.500 CB 1.265 23 residues pruned to eliminate duplicates Z: 9 7.795 1.753 0.441 0.776 0.875 0.500 CB 0.977 9 residues pruned to eliminate duplicates Z: 52 14.339 1.724 0.426 0.427 0.863 0.569 CB 1.020 50 residues pruned to eliminate duplicates Z: 6 2.555 1.439 0.572 0.430 1.000 0.200 CB 0.543 6 residues pruned to eliminate duplicates Z: 12 7.783 1.792 0.409 0.557 0.818 0.182 CB 1.075 12 residues pruned to eliminate duplicates Z: 45 11.935 1.739 0.310 0.373 0.864 0.432 CB 1.047 67 residues pruned to eliminate duplicates Z: 6 2.536 1.323 0.408 0.240 0.800 0.400 N 1.029 Z: 7 6.287 1.771 0.349 0.480 0.833 0.500 CB 1.316 7 residues pruned to eliminate duplicates Z: 10 5.675 1.731 0.243 0.514 0.667 0.556 O 1.300 10 residues pruned to eliminate duplicates Z: 12 7.652 1.739 0.332 0.461 0.727 0.455 CB 1.425 12 residues pruned to eliminate duplicates Z: 9 7.177 1.787 0.164 0.491 0.875 0.625 O 1.408 9 residues pruned to eliminate duplicates Z: 33 13.493 1.782 0.286 0.463 0.875 0.656 CB 1.235 50 residues pruned to eliminate duplicates Z: 7 11.572 1.669 0.699 0.815 1.000 0.500 O 1.267 7 residues pruned to eliminate duplicates Z: 44 13.154 1.768 0.263 0.407 0.860 0.512 CB 1.151 44 residues pruned to eliminate duplicates Z: 10 9.593 1.898 0.361 0.520 0.889 0.444 CB 1.366 10 residues pruned to eliminate duplicates Z: 43 13.420 1.767 0.403 0.432 0.786 0.452 CB 1.140 43 residues pruned to eliminate duplicates Z: 12 8.217 1.801 0.139 0.590 0.909 0.455 CB 1.219 12 residues pruned to eliminate duplicates Z: 11 6.846 1.760 0.544 0.394 0.700 0.300 CB 1.274 11 residues pruned to eliminate duplicates Z: 18 6.395 1.753 0.292 0.348 0.706 0.412 CB 1.144 18 residues pruned to eliminate duplicates Z: 13 6.055 1.764 0.040 0.440 0.917 0.583 CB 1.106 13 residues pruned to eliminate duplicates Z: 11 7.369 1.624 0.330 0.668 1.000 0.600 CB 0.924 11 residues pruned to eliminate duplicates Z: 8 5.951 1.608 0.158 0.578 1.000 0.714 CB 1.121 8 residues pruned to eliminate duplicates Z: 13 9.180 1.638 0.456 0.643 0.917 0.500 CB 1.061 13 residues pruned to eliminate duplicates Z: 10 7.974 1.664 0.364 0.571 0.889 0.889 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 6.847 1.642 0.377 0.481 0.818 0.455 CB 1.137 12 residues pruned to eliminate duplicates Z: 9 7.567 1.772 0.528 0.523 0.750 0.500 CB 1.288 9 residues pruned to eliminate duplicates Z: 11 11.129 1.691 0.536 0.622 0.900 0.600 N 1.341 11 residues pruned to eliminate duplicates Z: 17 12.865 1.614 0.422 0.721 0.938 0.688 CB 1.223 17 residues pruned to eliminate duplicates Z: 17 14.001 1.675 0.519 0.718 0.875 0.688 CB 1.291 17 residues pruned to eliminate duplicates Z: 17 9.613 1.611 0.198 0.662 0.875 0.625 O 1.226 17 residues pruned to eliminate duplicates Z: 15 12.219 1.652 0.276 0.703 1.000 0.714 CB 1.287 15 residues pruned to eliminate duplicates Z: 14 8.272 1.646 0.389 0.628 0.846 0.692 CB 1.052 14 residues pruned to eliminate duplicates Z: 7 4.133 1.470 0.452 0.558 0.833 0.500 CB 0.897 7 residues pruned to eliminate duplicates Z: 13 11.663 1.666 0.501 0.638 1.000 0.500 CB 1.182 13 residues pruned to eliminate duplicates Z: 9 6.734 1.550 0.619 0.492 0.875 0.500 CB 1.093 9 residues pruned to eliminate duplicates Z: 12 5.352 1.489 0.208 0.584 0.909 0.455 CB 0.910 8 residues pruned to eliminate duplicates Z: 9 11.417 1.609 0.494 0.834 1.000 0.875 O 1.259 9 residues pruned to eliminate duplicates Z: 13 7.675 1.576 0.449 0.566 1.000 0.750 CB 0.910 13 residues pruned to eliminate duplicates Z: 10 7.827 1.705 0.470 0.554 0.889 0.444 CB 1.111 10 residues pruned to eliminate duplicates Z: 9 6.811 1.687 0.180 0.710 1.000 0.500 CB 1.000 9 residues pruned to eliminate duplicates Z: 7 5.212 1.840 -0.076 0.726 1.000 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 10 11.241 1.767 0.298 0.730 1.000 0.556 CB 1.329 10 residues pruned to eliminate duplicates Z: 10 8.364 1.798 0.090 0.710 1.000 0.778 CB 1.175 10 residues pruned to eliminate duplicates Z: 10 9.049 1.681 0.517 0.768 0.889 0.667 CB 1.050 10 residues pruned to eliminate duplicates Z: 10 11.272 1.726 0.466 0.876 1.000 0.667 CB 1.079 10 residues pruned to eliminate duplicates Z: 14 8.467 1.561 0.512 0.683 0.846 0.462 CB 0.995 14 residues pruned to eliminate duplicates Z: 11 4.295 1.593 0.389 0.317 0.600 0.200 N 1.252 Z: 12 5.999 1.534 0.603 0.775 0.636 0.364 CB 0.907 23 residues pruned to eliminate duplicates Z: 7 3.528 1.446 0.555 0.490 0.667 0.500 CB 0.971 Z: 12 12.423 1.621 0.645 0.718 1.000 0.727 CB 1.154 11 residues pruned to eliminate duplicates Z: 9 12.205 1.663 0.713 0.764 1.000 0.875 CB 1.198 9 residues pruned to eliminate duplicates Z: 11 6.718 1.452 0.494 0.428 0.900 0.300 CB 1.172 10 residues pruned to eliminate duplicates Z: 9 10.838 1.638 0.462 0.898 1.000 1.000 CB 1.144 9 residues pruned to eliminate duplicates Z: 14 8.823 1.608 0.479 0.504 0.846 0.615 CB 1.210 14 residues pruned to eliminate duplicates Z: 16 9.737 1.582 0.521 0.452 0.933 0.533 CB 1.175 16 residues pruned to eliminate duplicates Z: 11 8.337 1.613 0.713 0.588 0.800 0.500 CB 1.096 11 residues pruned to eliminate duplicates Z: 8 3.030 1.535 0.375 0.525 0.857 0.429 CB 0.618 8 residues pruned to eliminate duplicates Z: 7 6.165 1.520 0.823 0.705 1.000 0.333 CB 0.754 6 residues pruned to eliminate duplicates Z: 11 6.866 1.374 0.515 0.736 0.900 0.500 CB 0.938 11 residues pruned to eliminate duplicates Z: 7 5.833 1.565 0.712 0.733 1.000 0.333 CB 0.721 7 residues pruned to eliminate duplicates Z: 16 7.706 1.516 0.626 0.577 0.933 0.333 CB 0.803 13 residues pruned to eliminate duplicates Z: 10 10.410 1.747 0.377 0.781 0.889 0.444 CB 1.267 10 residues pruned to eliminate duplicates Z: 13 9.323 1.707 0.315 0.602 0.833 0.500 CB 1.306 12 residues pruned to eliminate duplicates Z: 10 11.410 1.756 0.529 0.855 1.000 0.889 CB 1.045 10 residues pruned to eliminate duplicates Z: 8 8.802 1.859 0.340 0.755 0.857 0.857 CB 1.241 8 residues pruned to eliminate duplicates Z: 12 10.471 1.726 0.273 0.705 1.000 0.636 CB 1.192 12 residues pruned to eliminate duplicates Z: 10 14.267 1.864 0.449 0.746 1.000 0.889 CB 1.414 10 residues pruned to eliminate duplicates Z: 12 14.260 1.736 0.482 0.735 1.000 0.727 O 1.353 12 residues pruned to eliminate duplicates Z: 11 13.482 1.784 0.424 0.704 1.000 0.800 O 1.394 11 residues pruned to eliminate duplicates Z: 11 8.054 1.674 0.384 0.524 0.800 0.600 O 1.341 11 residues pruned to eliminate duplicates Z: 11 14.573 1.729 0.647 0.722 1.000 0.800 CB 1.324 13 residues pruned to eliminate duplicates Z: 13 8.187 1.647 0.403 0.598 0.750 0.500 CB 1.242 10 residues pruned to eliminate duplicates Z: 12 6.172 1.725 0.144 0.648 0.818 0.455 CB 1.004 12 residues pruned to eliminate duplicates Z: 10 3.258 1.695 0.097 0.347 0.667 0.222 CB 1.035 8 residues pruned to eliminate duplicates Z: 13 9.075 1.681 0.423 0.674 0.833 0.583 O 1.120 13 residues pruned to eliminate duplicates Z: 17 6.637 1.675 0.448 0.621 0.625 0.438 CB 0.977 17 residues pruned to eliminate duplicates Z: 20 6.778 1.632 0.332 0.630 0.789 0.526 CB 0.802 20 residues pruned to eliminate duplicates Z: 12 9.473 1.677 0.423 0.834 1.000 0.727 CB 0.897 12 residues pruned to eliminate duplicates Z: 15 8.321 1.682 0.304 0.646 0.929 0.500 CB 0.953 16 residues pruned to eliminate duplicates Z: 13 11.370 1.694 0.457 0.889 1.000 0.833 CB 0.957 19 residues pruned to eliminate duplicates Z: 10 7.414 1.682 0.386 0.872 0.889 0.889 CB 0.869 10 residues pruned to eliminate duplicates Z: 10 4.651 1.534 0.343 0.839 0.778 0.778 CB 0.723 10 residues pruned to eliminate duplicates Z: 16 7.160 1.701 0.290 0.624 0.800 0.667 CB 0.937 16 residues pruned to eliminate duplicates Z: 10 7.151 1.658 0.382 0.804 0.889 0.778 CB 0.898 10 residues pruned to eliminate duplicates Z: 19 10.059 1.660 0.298 0.671 0.944 0.611 CB 0.995 13 residues pruned to eliminate duplicates Z: 9 4.625 1.438 0.091 0.735 0.875 0.625 CB 0.964 8 residues pruned to eliminate duplicates Z: 6 5.814 1.525 0.331 0.751 0.800 0.800 O 1.280 7 residues pruned to eliminate duplicates Z: 6 7.106 1.575 0.502 0.758 0.800 0.400 CB 1.336 6 residues pruned to eliminate duplicates Z: 9 6.183 1.454 0.464 0.645 0.750 0.500 CB 1.196 9 residues pruned to eliminate duplicates Z: 9 3.929 1.448 0.228 0.626 0.625 0.500 CB 1.110 9 residues pruned to eliminate duplicates Z: 6 2.486 1.660 0.369 0.651 0.600 0.200 CB 0.708 Z: 6 6.983 1.644 0.396 0.813 1.000 0.800 N 1.036 12 residues pruned to eliminate duplicates Z: 11 6.514 1.658 0.569 0.434 0.700 0.200 CB 1.211 11 residues pruned to eliminate duplicates Z: 19 7.046 1.666 0.622 0.458 0.667 0.333 CB 0.962 19 residues pruned to eliminate duplicates Z: 8 10.543 1.845 0.747 0.514 0.857 0.286 CB 1.423 8 residues pruned to eliminate duplicates Z: 14 6.093 1.540 0.460 0.362 0.846 0.231 N 1.030 14 residues pruned to eliminate duplicates Z: 22 9.233 1.675 0.438 0.315 0.810 0.190 CB 1.269 23 residues pruned to eliminate duplicates Z: 6 4.499 1.495 0.456 0.329 1.000 0.600 CB 1.115 6 residues pruned to eliminate duplicates Z: 19 11.583 1.668 0.422 0.553 0.833 0.389 CB 1.311 20 residues pruned to eliminate duplicates Z: 7 2.882 1.631 0.095 0.375 0.667 0.333 CB 1.129 Z: 6 3.142 1.468 0.975 0.562 0.600 0.400 CB 0.761 6 residues pruned to eliminate duplicates Z: 7 7.486 1.721 0.558 0.529 0.833 0.333 CB 1.329 7 residues pruned to eliminate duplicates Z: 11 6.187 1.575 0.629 0.468 0.800 0.500 CB 0.984 14 residues pruned to eliminate duplicates Z: 6 3.139 1.589 0.732 0.857 0.800 0.400 CB 0.470 6 residues pruned to eliminate duplicates Z: 9 7.752 1.686 0.662 0.577 0.875 0.500 CB 1.038 9 residues pruned to eliminate duplicates Z: 6 4.965 1.687 0.487 0.468 1.000 0.400 CB 0.914 6 residues pruned to eliminate duplicates Z: 14 7.932 1.849 0.188 0.457 0.846 0.308 CB 1.236 14 residues pruned to eliminate duplicates Z: 26 12.602 1.778 0.580 0.459 0.840 0.360 CB 1.114 34 residues pruned to eliminate duplicates Z: 6 3.990 1.820 0.638 0.312 0.600 0.200 CB 1.229 6 residues pruned to eliminate duplicates Z: 11 7.134 1.827 0.596 0.311 0.800 0.400 CB 1.192 11 residues pruned to eliminate duplicates Z: 19 7.610 1.827 0.300 0.333 0.778 0.222 CB 1.165 26 residues pruned to eliminate duplicates Z: 8 4.777 1.605 0.444 0.362 0.714 0.286 CB 1.266 8 residues pruned to eliminate duplicates Z: 22 9.468 1.815 0.390 0.348 0.857 0.524 CB 1.126 25 residues pruned to eliminate duplicates Z: 24 13.708 1.900 0.490 0.445 0.826 0.217 CB 1.292 31 residues pruned to eliminate duplicates Z: 6 4.162 1.828 0.008 0.316 1.000 0.200 CB 1.239 6 residues pruned to eliminate duplicates Z: 34 14.723 1.903 0.377 0.461 0.818 0.485 CB 1.244 35 residues pruned to eliminate duplicates Z: 6 3.084 1.360 0.946 0.100 0.800 0.200 CB 1.086 6 residues pruned to eliminate duplicates Z: 44 16.248 1.840 0.486 0.354 0.860 0.419 CB 1.234 46 residues pruned to eliminate duplicates Z: 19 16.587 1.841 0.577 0.712 0.944 0.500 CB 1.177 18 residues pruned to eliminate duplicates Z: 18 17.112 1.869 0.621 0.732 0.941 0.647 CB 1.182 17 residues pruned to eliminate duplicates Z: 26 12.585 1.809 0.334 0.358 0.880 0.480 CB 1.381 26 residues pruned to eliminate duplicates Z: 21 9.831 1.813 0.368 0.421 0.800 0.350 CB 1.203 21 residues pruned to eliminate duplicates Z: 25 12.729 1.913 0.586 0.342 0.875 0.292 CB 1.162 25 residues pruned to eliminate duplicates Z: 11 6.833 1.930 0.292 0.488 0.800 0.400 CB 1.096 11 residues pruned to eliminate duplicates Z: 22 12.302 1.913 0.386 0.448 0.810 0.333 CB 1.318 22 residues pruned to eliminate duplicates Z: 17 11.463 1.873 0.226 0.607 0.875 0.375 CB 1.288 17 residues pruned to eliminate duplicates Z: 30 15.151 1.882 0.541 0.508 0.828 0.517 CB 1.163 30 residues pruned to eliminate duplicates Z: 21 12.353 1.906 0.383 0.438 0.800 0.300 CB 1.397 21 residues pruned to eliminate duplicates Z: 38 16.801 1.862 0.506 0.480 0.784 0.378 CB 1.282 38 residues pruned to eliminate duplicates Z: 37 17.357 1.866 0.684 0.491 0.833 0.389 CB 1.115 37 residues pruned to eliminate duplicates Z: 26 21.127 1.934 0.647 0.733 0.880 0.720 CB 1.223 27 residues pruned to eliminate duplicates Z: 10 11.199 1.808 0.692 0.852 0.889 0.556 CB 1.015 10 residues pruned to eliminate duplicates Z: 10 2.181 1.739 0.076 0.195 0.444 0.222 N 1.257 10 residues pruned to eliminate duplicates Z: 16 11.955 1.933 0.465 0.473 0.733 0.667 CB 1.527 16 residues pruned to eliminate duplicates Z: 26 16.021 1.892 0.537 0.574 0.840 0.680 CB 1.221 26 residues pruned to eliminate duplicates Z: 20 11.030 1.817 0.481 0.433 0.789 0.474 CB 1.278 20 residues pruned to eliminate duplicates Z: 40 11.907 1.822 0.340 0.296 0.744 0.436 CB 1.319 40 residues pruned to eliminate duplicates Z: 15 16.748 1.928 0.619 0.583 0.929 0.714 CB 1.426 15 residues pruned to eliminate duplicates Z: 20 20.372 1.947 0.620 0.653 0.842 0.579 CB 1.526 18 residues pruned to eliminate duplicates Z: 15 18.442 1.883 0.771 0.930 1.000 0.929 CB 1.034 22 residues pruned to eliminate duplicates Z: 14 17.456 1.918 0.891 0.650 0.846 0.692 N 1.371 14 residues pruned to eliminate duplicates Z: 36 21.096 1.867 0.673 0.624 0.800 0.600 CB 1.270 36 residues pruned to eliminate duplicates Z: 14 19.799 1.920 0.882 0.730 0.923 0.615 CB 1.339 14 residues pruned to eliminate duplicates Z: 15 17.266 1.789 0.981 0.647 0.929 0.714 N 1.223 15 residues pruned to eliminate duplicates Z: 36 19.377 1.865 0.609 0.563 0.829 0.457 CB 1.239 36 residues pruned to eliminate duplicates Z: 50 24.611 1.848 0.631 0.583 0.857 0.571 CB 1.257 50 residues pruned to eliminate duplicates Z: 18 26.195 1.968 0.819 0.770 0.941 0.647 CB 1.485 18 residues pruned to eliminate duplicates Z: 16 23.930 1.852 0.835 0.916 1.000 0.867 CB 1.284 16 residues pruned to eliminate duplicates Z: 21 20.040 1.846 0.690 0.662 0.950 0.650 CB 1.301 21 residues pruned to eliminate duplicates Z: 17 20.026 1.940 0.612 0.782 0.938 0.812 CB 1.332 17 residues pruned to eliminate duplicates Z: 27 14.099 1.823 0.600 0.480 0.808 0.385 CB 1.198 27 residues pruned to eliminate duplicates Z: 8 6.919 1.840 0.222 0.482 0.857 0.714 O 1.382 8 residues pruned to eliminate duplicates Z: 18 15.378 1.862 0.722 0.550 0.765 0.588 CB 1.449 18 residues pruned to eliminate duplicates Z: 21 19.779 1.857 0.892 0.729 0.950 0.650 CB 1.078 21 residues pruned to eliminate duplicates Z: 23 22.930 1.861 0.801 0.700 0.909 0.636 CB 1.337 20 residues pruned to eliminate duplicates Z: 6 4.996 1.380 1.050 0.815 1.000 0.800 CB 0.600 Z: 7 5.682 1.350 0.796 0.797 1.000 0.500 CB 0.737 6 residues pruned to eliminate duplicates Z: 9 4.393 1.461 0.566 0.708 0.750 0.500 CB 0.749 5 residues pruned to eliminate duplicates Z: 7 3.056 1.486 0.580 0.673 0.667 0.333 CB 0.679 7 residues pruned to eliminate duplicates Z: 7 3.798 1.515 0.520 0.763 0.667 0.333 CB 0.799 7 residues pruned to eliminate duplicates Z: 8 6.859 1.769 0.825 0.383 0.714 0.429 CB 1.273 8 residues pruned to eliminate duplicates Z: 7 6.365 1.673 0.652 0.535 0.833 0.667 N 1.090 7 residues pruned to eliminate duplicates Z: 9 4.799 1.539 0.453 0.538 0.625 0.250 O 1.170 9 residues pruned to eliminate duplicates Z: 9 9.100 1.652 0.585 0.560 0.875 0.375 CB 1.325 Z: 10 10.365 1.470 0.734 0.892 1.000 0.556 CB 0.974 9 residues pruned to eliminate duplicates Z: 7 13.590 1.679 0.967 0.844 1.000 0.667 CB 1.250 7 residues pruned to eliminate duplicates Z: 10 11.095 1.607 0.693 0.684 1.000 0.556 O 1.148 15 residues pruned to eliminate duplicates Z: 11 9.416 1.631 0.620 0.744 0.700 0.300 CB 1.294 11 residues pruned to eliminate duplicates Z: 8 5.395 1.528 0.745 0.762 0.714 0.714 CB 0.849 8 residues pruned to eliminate duplicates Z: 7 4.999 1.643 0.420 0.686 0.833 0.333 CB 0.885 7 residues pruned to eliminate duplicates Z: 15 7.025 1.445 0.618 0.754 0.857 0.429 CB 0.747 15 residues pruned to eliminate duplicates Z: 14 8.622 1.466 0.820 0.620 1.000 0.538 CB 0.800 12 residues pruned to eliminate duplicates Z: 12 11.929 1.513 0.761 0.851 1.000 0.727 CB 0.999 12 residues pruned to eliminate duplicates Z: 14 10.459 1.473 0.816 0.851 0.923 0.769 CB 0.869 13 residues pruned to eliminate duplicates Z: 13 11.074 1.497 0.686 0.890 1.000 1.000 CB 0.911 13 residues pruned to eliminate duplicates Z: 8 3.670 1.368 0.440 0.470 0.714 0.429 CB 1.016 8 residues pruned to eliminate duplicates Z: 17 6.244 1.381 0.601 0.670 0.875 0.438 CB 0.689 17 residues pruned to eliminate duplicates Z: 7 5.560 1.477 0.261 0.772 0.833 0.333 CB 1.150 7 residues pruned to eliminate duplicates Z: 9 4.242 1.432 0.190 0.663 0.625 0.375 CB 1.211 9 residues pruned to eliminate duplicates Z: 9 6.034 1.415 0.569 0.770 0.750 0.500 N 1.009 9 residues pruned to eliminate duplicates Z: 10 6.104 1.461 0.392 0.693 0.889 0.444 CB 0.943 10 residues pruned to eliminate duplicates Z: 13 6.617 1.491 0.460 0.569 0.833 0.417 N 0.985 17 residues pruned to eliminate duplicates Z: 9 10.340 1.567 0.634 0.779 1.000 0.625 CB 1.116 9 residues pruned to eliminate duplicates Z: 7 8.291 1.698 0.850 0.681 0.667 0.667 CB 1.368 7 residues pruned to eliminate duplicates Z: 13 8.175 1.765 0.513 0.412 0.917 0.250 CB 1.057 7 residues pruned to eliminate duplicates Z: 8 7.702 1.579 0.668 0.746 0.857 0.714 N 1.035 8 residues pruned to eliminate duplicates Z: 7 8.756 1.619 0.869 0.674 0.833 0.500 CB 1.208 7 residues pruned to eliminate duplicates Z: 9 3.427 1.372 0.268 0.431 0.625 0.250 CB 1.197 Z: 6 4.564 1.270 0.511 0.478 1.000 0.400 O 1.089 6 residues pruned to eliminate duplicates Z: 8 4.424 1.365 0.289 0.510 0.857 0.571 N 1.098 7 residues pruned to eliminate duplicates Z: 6 3.563 1.463 0.417 0.439 0.800 0.600 O 1.023 6 residues pruned to eliminate duplicates Z: 6 3.246 1.497 0.341 0.227 0.800 0.200 O 1.243 6 residues pruned to eliminate duplicates Z: 6 5.788 1.669 0.383 0.667 0.800 0.200 N 1.201 5 residues pruned to eliminate duplicates Z: 7 6.576 1.640 0.489 0.678 0.833 0.333 CB 1.120 7 residues pruned to eliminate duplicates Z: 20 6.120 1.689 0.331 0.462 0.632 0.368 CB 1.028 26 residues pruned to eliminate duplicates Z: 7 5.556 1.677 0.303 0.823 0.833 0.500 CB 0.941 8 residues pruned to eliminate duplicates Z: 9 6.771 1.599 0.264 0.668 1.000 0.625 CB 1.015 9 residues pruned to eliminate duplicates Z: 9 5.418 1.700 0.369 0.641 0.750 0.250 CB 0.961 8 residues pruned to eliminate duplicates Z: 7 8.360 1.704 0.458 0.795 1.000 0.667 CB 1.061 7 residues pruned to eliminate duplicates Z: 6 2.126 1.566 0.637 0.153 0.400 0.400 CB 1.420 Z: 9 2.988 1.534 0.494 0.339 0.500 0.375 CB 1.099 6 residues pruned to eliminate duplicates Z: 8 3.986 1.483 0.501 0.720 0.571 0.286 CB 0.972 17 residues pruned to eliminate duplicates Z: 9 4.950 1.499 0.532 0.538 0.750 0.000 CB 0.979 8 residues pruned to eliminate duplicates Z: 9 8.352 1.488 0.523 0.723 1.000 0.375 CB 1.065 9 residues pruned to eliminate duplicates Z: 9 4.628 1.486 0.433 0.688 0.625 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 9 4.346 1.507 0.402 0.576 0.625 0.500 CB 1.081 9 residues pruned to eliminate duplicates Z: 13 14.443 1.965 0.436 0.815 0.917 0.667 CB 1.226 13 residues pruned to eliminate duplicates Z: 12 20.025 1.967 0.680 0.881 1.000 0.727 CB 1.324 12 residues pruned to eliminate duplicates Z: 21 18.442 1.909 0.673 0.611 0.850 0.550 CB 1.367 21 residues pruned to eliminate duplicates Z: 7 11.897 2.023 0.571 0.822 1.000 0.833 CB 1.156 7 residues pruned to eliminate duplicates Z: 13 17.148 1.886 0.758 0.720 0.917 0.750 CB 1.335 13 residues pruned to eliminate duplicates Z: 12 14.589 1.865 0.695 0.757 0.818 0.727 CB 1.353 12 residues pruned to eliminate duplicates Z: 20 11.242 1.807 0.598 0.537 0.737 0.526 CB 1.168 20 residues pruned to eliminate duplicates Z: 12 21.539 2.032 0.996 0.772 0.909 0.727 CB 1.385 12 residues pruned to eliminate duplicates Z: 10 16.710 2.007 0.681 0.903 1.000 0.889 CB 1.177 10 residues pruned to eliminate duplicates Z: 17 11.131 1.866 0.527 0.467 0.688 0.375 CB 1.469 17 residues pruned to eliminate duplicates Z: 17 10.501 1.927 0.432 0.443 0.688 0.438 CB 1.468 17 residues pruned to eliminate duplicates Z: 18 16.976 1.937 0.733 0.571 0.765 0.294 CB 1.498 18 residues pruned to eliminate duplicates Z: 32 17.450 1.890 0.584 0.505 0.774 0.452 CB 1.346 23 residues pruned to eliminate duplicates Z: 7 4.215 1.527 0.517 0.351 0.833 0.500 CB 1.047 7 residues pruned to eliminate duplicates Z: 13 6.172 1.790 0.309 0.467 0.667 0.417 CB 1.180 13 residues pruned to eliminate duplicates Z: 16 7.193 1.816 0.322 0.356 0.733 0.333 CB 1.233 16 residues pruned to eliminate duplicates Z: 20 18.774 1.986 0.587 0.615 0.842 0.368 CB 1.456 20 residues pruned to eliminate duplicates Z: 8 12.530 1.789 0.610 0.596 1.000 0.571 CB 1.501 15 residues pruned to eliminate duplicates Z: 9 8.294 1.602 0.551 0.633 0.875 0.500 CB 1.190 9 residues pruned to eliminate duplicates Z: 11 9.635 1.722 0.806 0.317 0.900 0.500 CB 1.333 11 residues pruned to eliminate duplicates Z: 10 5.995 1.807 0.854 0.308 0.667 0.333 CB 1.107 10 residues pruned to eliminate duplicates Z: 10 8.970 1.832 0.640 0.448 0.778 0.222 CB 1.350 10 residues pruned to eliminate duplicates Z: 8 13.359 1.960 0.758 0.583 0.857 0.429 CB 1.580 8 residues pruned to eliminate duplicates Z: 15 9.757 1.817 0.876 0.409 0.714 0.357 CB 1.178 8 residues pruned to eliminate duplicates Z: 11 8.169 1.695 0.154 0.864 1.000 0.600 CB 0.969 11 residues pruned to eliminate duplicates Z: 11 11.044 1.880 0.125 0.722 1.000 0.500 CB 1.351 12 residues pruned to eliminate duplicates Z: 8 11.348 1.997 0.304 0.852 1.000 0.857 CB 1.218 8 residues pruned to eliminate duplicates Z: 15 8.415 1.819 0.388 0.380 0.857 0.357 CB 1.180 15 residues pruned to eliminate duplicates Z: 8 10.642 1.964 0.220 0.689 1.000 0.714 CB 1.413 8 residues pruned to eliminate duplicates Z: 9 9.329 1.955 0.232 0.706 0.875 0.750 CB 1.298 9 residues pruned to eliminate duplicates Z: 10 7.752 1.904 0.278 0.625 0.889 0.556 CB 1.062 10 residues pruned to eliminate duplicates Z: 12 7.607 1.782 0.162 0.569 1.000 0.636 CB 1.036 12 residues pruned to eliminate duplicates Z: 21 7.837 1.759 0.379 0.382 0.700 0.400 CB 1.170 21 residues pruned to eliminate duplicates Z: 12 4.777 1.688 0.364 0.368 0.636 0.364 CB 1.132 12 residues pruned to eliminate duplicates Z: 14 6.505 1.743 0.384 0.363 0.846 0.385 CB 1.024 14 residues pruned to eliminate duplicates Z: 28 10.772 1.741 0.450 0.388 0.815 0.370 CB 1.135 28 residues pruned to eliminate duplicates Z: 16 8.262 1.764 0.101 0.351 1.000 0.600 CB 1.290 16 residues pruned to eliminate duplicates Z: 19 10.107 1.723 0.226 0.329 1.000 0.722 CB 1.360 19 residues pruned to eliminate duplicates Z: 13 11.049 1.800 0.373 0.449 0.917 0.667 O 1.484 13 residues pruned to eliminate duplicates Z: 8 7.768 1.756 0.261 0.664 0.857 0.429 O 1.329 8 residues pruned to eliminate duplicates Z: 15 6.872 1.825 0.182 0.314 0.857 0.429 CB 1.220 15 residues pruned to eliminate duplicates Z: 22 11.375 1.831 0.359 0.393 0.810 0.524 CB 1.380 22 residues pruned to eliminate duplicates Z: 11 6.301 1.858 0.234 0.325 0.900 0.700 CB 1.170 11 residues pruned to eliminate duplicates Z: 22 10.656 1.831 0.405 0.340 0.857 0.524 CB 1.255 22 residues pruned to eliminate duplicates Z: 20 7.693 1.742 0.427 0.316 0.789 0.526 CB 1.103 20 residues pruned to eliminate duplicates Z: 8 6.042 1.836 0.203 0.365 0.857 0.429 CB 1.395 8 residues pruned to eliminate duplicates Z: 14 8.501 1.808 0.213 0.262 1.000 0.615 CB 1.411 14 residues pruned to eliminate duplicates Z: 16 7.227 1.865 0.269 0.352 0.733 0.467 CB 1.261 16 residues pruned to eliminate duplicates Z: 12 7.010 1.831 0.466 0.306 0.818 0.364 CB 1.194 12 residues pruned to eliminate duplicates Z: 22 7.040 1.758 0.275 0.325 0.714 0.429 CB 1.164 22 residues pruned to eliminate duplicates Z: 21 9.104 1.722 0.336 0.319 0.800 0.350 CB 1.351 21 residues pruned to eliminate duplicates Z: 14 5.171 1.708 0.236 0.497 0.769 0.462 CB 0.886 12 residues pruned to eliminate duplicates Z: 6 7.681 1.784 0.458 0.771 1.000 0.800 CB 1.039 6 residues pruned to eliminate duplicates Z: 9 5.855 1.630 0.577 0.484 0.750 0.375 CB 1.091 31 residues pruned to eliminate duplicates Z: 6 3.074 1.735 0.118 0.653 0.600 0.600 CB 1.025 6 residues pruned to eliminate duplicates Z: 32 8.108 1.674 0.358 0.227 0.710 0.387 CB 1.240 46 residues pruned to eliminate duplicates Z: 29 9.481 1.730 0.305 0.303 0.714 0.357 CB 1.383 29 residues pruned to eliminate duplicates Z: 11 5.423 1.635 -0.003 0.496 0.800 0.500 CB 1.321 Z: 25 7.643 1.718 0.288 0.445 0.792 0.417 CB 0.942 36 residues pruned to eliminate duplicates Z: 10 9.027 1.717 0.411 0.550 0.889 0.444 CB 1.331 9 residues pruned to eliminate duplicates Z: 12 10.036 1.779 0.455 0.877 1.000 0.727 CB 0.849 12 residues pruned to eliminate duplicates Z: 13 10.173 1.628 0.555 0.404 0.917 0.667 CB 1.399 8 residues pruned to eliminate duplicates Z: 16 12.412 1.714 0.728 0.856 0.800 0.800 CB 0.997 16 residues pruned to eliminate duplicates Z: 10 10.234 1.931 0.324 0.759 0.889 0.667 CB 1.192 10 residues pruned to eliminate duplicates Z: 18 7.441 1.731 0.352 0.520 0.824 0.529 CB 0.918 18 residues pruned to eliminate duplicates Z: 20 9.089 1.736 0.490 0.433 0.842 0.421 CB 1.025 20 residues pruned to eliminate duplicates Z: 9 10.802 1.969 0.402 0.793 0.875 0.750 CB 1.222 9 residues pruned to eliminate duplicates Z: 18 7.450 1.828 0.265 0.533 0.765 0.471 CB 0.989 18 residues pruned to eliminate duplicates Z: 9 5.095 1.909 0.435 0.504 0.750 0.250 CB 0.873 9 residues pruned to eliminate duplicates Z: 17 9.632 1.819 0.380 0.528 0.938 0.438 CB 0.996 17 residues pruned to eliminate duplicates Z: 13 6.853 1.789 0.576 0.469 0.667 0.583 CB 1.086 13 residues pruned to eliminate duplicates Z: 26 14.123 1.795 0.416 0.512 0.880 0.600 CB 1.248 26 residues pruned to eliminate duplicates Z: 11 8.564 1.791 0.601 0.657 0.800 0.600 CB 1.020 11 residues pruned to eliminate duplicates Z: 11 8.974 1.865 0.376 0.570 0.800 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 21 11.725 1.688 0.497 0.560 0.800 0.400 CB 1.223 21 residues pruned to eliminate duplicates Z: 29 13.994 1.772 0.516 0.446 0.786 0.429 CB 1.324 28 residues pruned to eliminate duplicates Z: 8 7.712 1.351 1.036 0.502 0.857 0.571 O 1.233 Z: 6 8.383 1.661 0.874 0.684 0.800 0.800 CB 1.272 6 residues pruned to eliminate duplicates Z: 13 10.841 1.821 0.722 0.486 0.750 0.417 CB 1.350 18 residues pruned to eliminate duplicates Z: 9 12.464 1.845 1.066 0.572 0.750 0.500 CB 1.438 10 residues pruned to eliminate duplicates Z: 10 7.267 1.597 0.737 0.650 0.667 0.333 CB 1.139 10 residues pruned to eliminate duplicates Z: 17 10.955 1.877 0.630 0.372 0.750 0.562 CB 1.369 17 residues pruned to eliminate duplicates Z: 28 12.350 1.813 0.453 0.441 0.815 0.519 CB 1.177 25 residues pruned to eliminate duplicates Z: 7 13.378 1.895 0.841 0.497 1.000 0.500 N 1.570 7 residues pruned to eliminate duplicates Z: 16 17.778 1.966 0.838 0.536 0.933 0.533 CB 1.314 17 residues pruned to eliminate duplicates Z: 7 6.457 1.639 0.360 0.610 0.833 0.500 CB 1.278 7 residues pruned to eliminate duplicates Z: 8 3.010 1.687 0.331 0.331 0.714 0.429 CB 0.854 6 residues pruned to eliminate duplicates Z: 9 5.222 1.590 0.178 0.615 0.875 0.500 CB 1.010 9 residues pruned to eliminate duplicates Z: 7 4.678 1.406 0.341 0.588 0.833 0.667 CB 1.117 7 residues pruned to eliminate duplicates Z: 8 5.799 1.778 0.044 0.583 0.857 0.429 CB 1.271 10 residues pruned to eliminate duplicates Z: 6 5.113 1.535 0.465 0.500 1.000 0.200 CB 1.016 4 residues pruned to eliminate duplicates Z: 6 3.338 1.447 0.451 0.270 0.800 0.400 CB 1.154 6 residues pruned to eliminate duplicates Z: 13 4.895 1.629 0.045 0.354 0.750 0.333 CB 1.297 13 residues pruned to eliminate duplicates Z: 7 3.250 1.363 0.221 0.488 1.000 1.000 CB 0.807 Z: 8 7.252 1.468 0.754 0.814 0.857 0.571 CB 0.945 7 residues pruned to eliminate duplicates Z: 13 15.012 1.750 0.670 0.846 1.000 0.750 CB 1.102 12 residues pruned to eliminate duplicates Z: 13 16.299 1.790 0.456 0.856 1.000 0.833 CB 1.331 13 residues pruned to eliminate duplicates Z: 12 8.180 1.440 0.485 0.732 0.818 0.545 CB 1.144 12 residues pruned to eliminate duplicates Z: 15 13.154 1.818 0.414 0.636 0.929 0.500 CB 1.297 15 residues pruned to eliminate duplicates Z: 11 11.585 1.824 0.465 0.606 0.900 0.500 CB 1.378 10 residues pruned to eliminate duplicates Z: 16 16.019 1.640 0.788 0.794 0.933 0.733 CB 1.168 16 residues pruned to eliminate duplicates Z: 12 13.355 1.765 0.519 0.781 0.909 0.636 CB 1.290 13 residues pruned to eliminate duplicates Z: 11 12.955 1.763 0.510 0.850 0.900 0.600 CB 1.268 11 residues pruned to eliminate duplicates Z: 14 14.426 1.755 0.586 0.699 0.846 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 10 10.102 1.830 0.371 0.642 1.000 0.556 CB 1.176 10 residues pruned to eliminate duplicates Z: 12 8.188 1.865 0.261 0.432 0.818 0.455 CB 1.376 12 residues pruned to eliminate duplicates Z: 19 7.131 1.778 0.233 0.401 0.722 0.444 CB 1.179 19 residues pruned to eliminate duplicates Z: 26 12.289 1.754 0.560 0.399 0.920 0.600 CB 1.086 21 residues pruned to eliminate duplicates 6 1.343 1.235 0.523 0.274 0.800 0.200 CB 0.515 ? Z: 9 7.617 1.617 0.440 0.511 0.875 0.500 O 1.307 9 residues pruned to eliminate duplicates Z: 18 6.284 1.714 0.352 0.352 0.706 0.471 CB 1.093 18 residues pruned to eliminate duplicates Z: 24 13.135 1.796 0.434 0.527 0.870 0.696 CB 1.191 24 residues pruned to eliminate duplicates Z: 21 10.146 1.742 0.565 0.521 0.800 0.450 CB 1.018 21 residues pruned to eliminate duplicates Z: 32 11.061 1.728 0.537 0.492 0.806 0.548 CB 0.936 32 residues pruned to eliminate duplicates Z: 8 6.360 1.804 0.344 0.606 1.000 0.714 CB 0.896 8 residues pruned to eliminate duplicates Z: 14 6.516 1.711 0.451 0.535 0.769 0.615 CB 0.914 23 residues pruned to eliminate duplicates Z: 16 14.486 1.765 0.409 0.868 0.933 0.800 CB 1.178 16 residues pruned to eliminate duplicates Z: 23 12.708 1.903 0.281 0.539 0.773 0.591 CB 1.384 23 residues pruned to eliminate duplicates Z: 6 7.230 1.877 0.384 0.671 0.800 0.800 N 1.329 6 residues pruned to eliminate duplicates Z: 11 12.184 1.890 0.492 0.800 0.800 0.800 CB 1.313 11 residues pruned to eliminate duplicates Z: 13 12.503 1.927 0.608 0.755 0.667 0.500 CB 1.392 13 residues pruned to eliminate duplicates Z: 14 14.270 1.790 0.727 0.807 0.769 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 19 10.086 1.756 0.548 0.502 0.667 0.222 CB 1.309 19 residues pruned to eliminate duplicates Z: 13 7.545 1.737 0.767 0.495 0.583 0.250 CB 1.222 13 residues pruned to eliminate duplicates Z: 23 12.461 1.802 0.774 0.617 0.682 0.455 CB 1.091 23 residues pruned to eliminate duplicates Z: 24 19.996 1.812 0.913 0.807 0.783 0.565 CB 1.176 24 residues pruned to eliminate duplicates Z: 30 20.156 1.809 0.776 0.577 0.897 0.586 CB 1.207 27 residues pruned to eliminate duplicates Z: 13 15.492 1.777 1.118 0.765 0.833 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 17 15.100 1.822 0.841 0.585 0.750 0.188 CB 1.383 17 residues pruned to eliminate duplicates Z: 25 17.256 1.870 0.747 0.548 0.792 0.417 CB 1.300 25 residues pruned to eliminate duplicates Z: 23 19.178 1.843 0.809 0.637 0.773 0.364 CB 1.396 23 residues pruned to eliminate duplicates Z: 8 6.784 1.851 0.527 0.335 0.714 0.143 CB 1.521 8 residues pruned to eliminate duplicates Z: 35 19.122 1.847 0.752 0.562 0.882 0.676 CB 1.081 35 residues pruned to eliminate duplicates Z: 19 10.481 1.740 0.520 0.363 0.889 0.389 CB 1.218 19 residues pruned to eliminate duplicates Z: 13 8.943 1.762 0.556 0.493 0.833 0.667 CB 1.137 13 residues pruned to eliminate duplicates Z: 32 12.922 1.761 0.569 0.406 0.742 0.419 CB 1.250 32 residues pruned to eliminate duplicates Z: 15 9.604 1.741 0.476 0.337 0.857 0.357 CB 1.392 15 residues pruned to eliminate duplicates Z: 17 8.452 1.752 0.336 0.388 0.750 0.500 CB 1.356 16 residues pruned to eliminate duplicates Z: 8 3.369 1.404 0.549 0.482 0.714 0.571 CB 0.834 Z: 14 15.609 1.766 0.915 0.678 0.846 0.538 CB 1.284 14 residues pruned to eliminate duplicates Z: 11 14.429 1.868 0.992 0.885 0.900 0.700 CB 0.984 11 residues pruned to eliminate duplicates Z: 8 9.291 1.882 0.872 0.489 0.857 0.429 CB 1.176 8 residues pruned to eliminate duplicates Z: 12 10.628 1.877 0.814 0.659 0.727 0.455 CB 1.117 12 residues pruned to eliminate duplicates Z: 13 14.023 1.877 0.740 0.675 0.750 0.583 CB 1.406 13 residues pruned to eliminate duplicates Z: 11 17.705 1.878 0.849 0.727 0.900 0.400 CB 1.460 11 residues pruned to eliminate duplicates Z: 28 14.231 1.787 0.692 0.478 0.704 0.481 CB 1.316 35 residues pruned to eliminate duplicates Z: 13 24.991 1.831 0.854 0.886 1.000 1.000 CB 1.533 13 residues pruned to eliminate duplicates Z: 13 23.693 1.821 0.952 0.820 1.000 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 15 18.780 1.768 0.820 0.799 0.929 0.714 CB 1.293 15 residues pruned to eliminate duplicates Z: 13 19.112 1.867 0.821 0.745 0.917 0.750 CB 1.422 13 residues pruned to eliminate duplicates Z: 15 9.887 1.805 0.363 0.522 0.929 0.500 CB 1.132 14 residues pruned to eliminate duplicates Z: 7 5.036 1.783 0.480 0.418 0.667 0.667 O 1.274 7 residues pruned to eliminate duplicates Z: 8 8.624 1.879 0.424 0.447 0.857 0.571 CB 1.500 8 residues pruned to eliminate duplicates Z: 8 8.261 1.850 0.364 0.473 0.857 0.571 N 1.483 8 residues pruned to eliminate duplicates Z: 9 8.568 1.828 0.407 0.528 0.875 0.750 CB 1.308 9 residues pruned to eliminate duplicates Z: 11 14.307 1.897 0.724 0.687 0.900 0.700 CB 1.295 12 residues pruned to eliminate duplicates Z: 13 11.489 1.851 0.455 0.519 0.917 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 12 16.128 1.876 0.764 0.660 1.000 0.818 CB 1.266 12 residues pruned to eliminate duplicates Z: 13 13.477 1.906 0.498 0.588 0.917 0.667 CB 1.366 13 residues pruned to eliminate duplicates Z: 12 14.483 1.899 0.755 0.672 0.909 0.818 CB 1.231 12 residues pruned to eliminate duplicates Z: 9 2.114 1.729 -0.118 0.294 0.500 0.125 CB 1.235 9 residues pruned to eliminate duplicates Z: 26 11.489 1.775 0.347 0.502 0.880 0.440 CB 1.090 27 residues pruned to eliminate duplicates Z: 12 12.993 1.740 0.727 0.834 1.000 0.636 CB 0.977 12 residues pruned to eliminate duplicates Z: 10 12.557 1.739 0.768 0.905 0.889 0.889 CB 1.090 10 residues pruned to eliminate duplicates Z: 11 7.078 1.694 0.608 0.675 0.800 0.600 CB 0.874 11 residues pruned to eliminate duplicates Z: 11 9.310 1.789 0.428 0.701 0.800 0.600 CB 1.200 11 residues pruned to eliminate duplicates Z: 16 8.715 1.761 0.314 0.657 0.733 0.600 CB 1.146 16 residues pruned to eliminate duplicates Z: 13 8.071 1.778 0.256 0.722 0.750 0.583 CB 1.138 13 residues pruned to eliminate duplicates Z: 16 10.141 1.823 0.181 0.725 0.867 0.800 CB 1.146 17 residues pruned to eliminate duplicates Z: 9 15.752 1.770 0.659 0.859 1.000 0.875 CB 1.396 9 residues pruned to eliminate duplicates Z: 32 15.420 1.839 0.516 0.582 0.806 0.677 CB 1.138 32 residues pruned to eliminate duplicates Z: 31 13.024 1.768 0.379 0.535 0.833 0.500 CB 1.132 31 residues pruned to eliminate duplicates Z: 35 18.712 1.866 0.492 0.569 0.824 0.471 CB 1.309 35 residues pruned to eliminate duplicates Z: 14 9.042 1.743 0.508 0.427 0.923 0.462 CB 1.115 14 residues pruned to eliminate duplicates Z: 12 8.187 1.723 0.065 0.626 0.909 0.727 CB 1.315 12 residues pruned to eliminate duplicates Z: 10 6.603 1.705 0.209 0.677 0.889 0.556 N 1.020 10 residues pruned to eliminate duplicates Z: 10 6.714 1.752 0.171 0.633 0.889 0.556 CB 1.083 10 residues pruned to eliminate duplicates Z: 18 16.813 1.908 0.672 0.601 0.941 0.529 CB 1.234 18 residues pruned to eliminate duplicates Z: 33 16.762 1.866 0.444 0.445 0.906 0.531 CB 1.284 33 residues pruned to eliminate duplicates Z: 15 17.158 1.896 0.460 0.735 1.000 0.857 CB 1.342 15 residues pruned to eliminate duplicates Z: 19 14.187 1.845 0.511 0.597 0.944 0.833 CB 1.157 19 residues pruned to eliminate duplicates Z: 17 13.321 1.893 0.610 0.628 1.000 0.750 CB 0.969 17 residues pruned to eliminate duplicates Z: 30 14.534 1.843 0.493 0.462 0.897 0.552 CB 1.137 30 residues pruned to eliminate duplicates Z: 36 15.137 1.807 0.442 0.458 0.886 0.514 CB 1.157 36 residues pruned to eliminate duplicates Z: 9 10.304 2.031 0.822 0.540 1.000 0.750 CB 0.947 9 residues pruned to eliminate duplicates Z: 25 16.438 1.936 0.408 0.471 1.000 0.708 CB 1.268 25 residues pruned to eliminate duplicates Z: 29 16.741 1.877 0.486 0.464 0.929 0.571 CB 1.267 29 residues pruned to eliminate duplicates Z: 34 16.356 1.881 0.371 0.374 0.909 0.424 CB 1.389 34 residues pruned to eliminate duplicates Z: 32 17.515 1.793 0.451 0.530 0.935 0.645 CB 1.255 32 residues pruned to eliminate duplicates Z: 25 16.296 1.903 0.423 0.425 0.917 0.500 CB 1.448 25 residues pruned to eliminate duplicates Z: 39 19.330 1.874 0.418 0.520 0.921 0.632 CB 1.257 39 residues pruned to eliminate duplicates Z: 21 16.895 1.939 0.561 0.478 1.000 0.700 CB 1.276 21 residues pruned to eliminate duplicates Z: 27 13.891 1.868 0.330 0.485 0.923 0.731 CB 1.205 27 residues pruned to eliminate duplicates Z: 39 20.875 1.878 0.484 0.527 0.921 0.658 CB 1.285 39 residues pruned to eliminate duplicates Z: 23 7.094 1.748 0.196 0.297 0.636 0.318 CB 1.426 23 residues pruned to eliminate duplicates Z: 25 19.549 1.937 0.493 0.477 0.958 0.542 CB 1.473 25 residues pruned to eliminate duplicates Z: 38 19.782 1.923 0.448 0.507 0.973 0.676 CB 1.192 38 residues pruned to eliminate duplicates Z: 27 12.513 1.850 0.599 0.260 0.769 0.346 CB 1.418 27 residues pruned to eliminate duplicates Z: 42 24.669 1.926 0.518 0.564 0.927 0.659 CB 1.336 42 residues pruned to eliminate duplicates Z: 38 18.158 1.929 0.356 0.548 0.892 0.622 CB 1.221 38 residues pruned to eliminate duplicates Z: 25 17.646 1.933 0.512 0.454 0.958 0.583 CB 1.348 25 residues pruned to eliminate duplicates Z: 39 23.933 1.918 0.509 0.594 0.947 0.842 CB 1.294 39 residues pruned to eliminate duplicates Z: 14 14.583 1.835 0.569 0.728 0.923 0.538 CB 1.239 14 residues pruned to eliminate duplicates Z: 43 20.394 1.883 0.539 0.533 0.881 0.571 CB 1.193 43 residues pruned to eliminate duplicates Z: 13 12.265 1.976 0.368 0.639 0.833 0.333 CB 1.379 13 residues pruned to eliminate duplicates Z: 50 23.386 1.887 0.458 0.572 0.918 0.633 CB 1.233 50 residues pruned to eliminate duplicates Z: 13 21.189 2.012 0.772 0.781 0.833 0.750 CB 1.607 13 residues pruned to eliminate duplicates Z: 32 18.490 1.835 0.543 0.524 0.806 0.581 CB 1.421 32 residues pruned to eliminate duplicates Z: 14 21.487 1.949 0.817 0.772 0.923 0.769 CB 1.434 14 residues pruned to eliminate duplicates Z: 48 22.576 1.924 0.511 0.494 0.915 0.574 CB 1.245 48 residues pruned to eliminate duplicates Z: 43 24.614 1.894 0.630 0.547 0.929 0.595 CB 1.265 43 residues pruned to eliminate duplicates Z: 16 17.088 1.810 0.865 0.729 0.800 0.600 N 1.330 16 residues pruned to eliminate duplicates Z: 26 18.122 1.825 0.401 0.637 0.880 0.440 CB 1.417 22 residues pruned to eliminate duplicates 6 1.598 0.977 0.555 0.639 0.800 0.000 N 0.516 ? Z: 7 5.952 1.523 0.573 0.742 0.667 0.333 O 1.225 Z: 8 8.397 1.536 0.297 0.822 1.000 0.286 CB 1.206 8 residues pruned to eliminate duplicates Z: 7 7.111 1.601 0.435 0.789 0.833 0.833 CB 1.177 7 residues pruned to eliminate duplicates Z: 7 5.927 1.508 0.440 0.761 0.833 0.500 CB 1.061 7 residues pruned to eliminate duplicates Z: 11 5.868 1.346 0.394 0.682 0.800 0.600 CB 1.046 10 residues pruned to eliminate duplicates Z: 13 11.991 1.659 0.342 0.840 1.000 0.667 CB 1.160 13 residues pruned to eliminate duplicates Z: 13 8.868 1.648 0.271 0.798 0.917 0.667 CB 1.028 13 residues pruned to eliminate duplicates Z: 8 6.154 1.500 0.657 0.485 0.714 0.286 N 1.331 8 residues pruned to eliminate duplicates Z: 13 12.067 1.738 0.383 0.763 0.917 0.667 CB 1.251 13 residues pruned to eliminate duplicates Z: 8 7.876 1.769 0.413 0.666 0.714 0.429 O 1.430 8 residues pruned to eliminate duplicates Z: 16 9.883 1.668 0.241 0.698 0.867 0.600 CB 1.187 16 residues pruned to eliminate duplicates Z: 12 9.990 1.712 0.243 0.792 0.909 0.636 CB 1.205 12 residues pruned to eliminate duplicates Z: 12 13.673 1.697 0.569 0.762 0.909 0.455 CB 1.349 12 residues pruned to eliminate duplicates Z: 9 8.442 1.577 0.444 0.869 0.875 0.750 CB 1.093 9 residues pruned to eliminate duplicates Z: 9 5.391 1.686 0.171 0.654 0.875 0.625 CB 0.957 9 residues pruned to eliminate duplicates Z: 11 6.946 1.716 0.170 0.775 0.800 0.600 CB 1.073 11 residues pruned to eliminate duplicates Z: 7 5.644 1.711 0.226 0.846 1.000 0.667 CB 0.817 7 residues pruned to eliminate duplicates Z: 10 7.777 1.671 0.382 0.710 0.889 0.556 CB 1.044 10 residues pruned to eliminate duplicates Z: 7 9.974 1.920 0.386 0.485 1.000 0.667 CB 1.554 7 residues pruned to eliminate duplicates Z: 6 5.357 1.675 0.416 0.360 1.000 0.600 O 1.175 Z: 7 4.352 1.742 0.505 0.323 0.667 0.167 CB 1.236 Z: 6 3.485 1.625 0.438 0.426 0.800 0.400 N 0.900 6 residues pruned to eliminate duplicates Z: 23 8.935 1.952 0.439 0.238 0.682 0.364 CB 1.348 30 residues pruned to eliminate duplicates Z: 10 5.052 1.389 0.645 0.465 0.667 0.556 CB 1.145 8 residues pruned to eliminate duplicates Z: 11 11.131 1.784 0.968 0.562 0.900 0.400 CB 1.049 11 residues pruned to eliminate duplicates Z: 10 7.999 1.877 0.824 0.107 0.889 0.333 CB 1.445 10 residues pruned to eliminate duplicates Z: 11 11.987 1.927 0.664 0.554 0.900 0.300 CB 1.246 11 residues pruned to eliminate duplicates Z: 21 11.886 1.994 0.582 0.296 0.800 0.500 CB 1.323 21 residues pruned to eliminate duplicates Z: 20 8.480 1.933 0.509 0.289 0.632 0.474 CB 1.338 20 residues pruned to eliminate duplicates Z: 14 8.713 1.935 0.782 0.356 0.692 0.308 CB 1.183 14 residues pruned to eliminate duplicates Z: 17 9.693 2.031 0.376 0.386 0.750 0.500 CB 1.306 17 residues pruned to eliminate duplicates Z: 17 9.592 1.989 0.642 0.361 0.688 0.438 CB 1.240 17 residues pruned to eliminate duplicates Z: 26 12.698 2.010 0.517 0.370 0.880 0.520 CB 1.088 26 residues pruned to eliminate duplicates Z: 28 14.169 1.952 0.742 0.350 0.852 0.556 CB 1.107 28 residues pruned to eliminate duplicates Z: 26 15.162 2.007 0.643 0.305 0.840 0.360 CB 1.360 26 residues pruned to eliminate duplicates Z: 19 6.000 1.847 0.419 0.208 0.667 0.389 CB 1.143 19 residues pruned to eliminate duplicates Z: 36 19.482 2.003 0.721 0.406 0.829 0.543 CB 1.272 36 residues pruned to eliminate duplicates Z: 43 12.744 1.894 0.489 0.243 0.762 0.500 CB 1.232 43 residues pruned to eliminate duplicates Z: 37 17.879 2.006 0.667 0.362 0.806 0.500 CB 1.284 37 residues pruned to eliminate duplicates Z: 53 22.375 1.972 0.674 0.452 0.788 0.500 CB 1.253 53 residues pruned to eliminate duplicates Z: 21 11.760 2.001 0.594 0.366 0.700 0.350 CB 1.360 21 residues pruned to eliminate duplicates Z: 37 15.960 1.914 0.688 0.338 0.806 0.472 CB 1.219 37 residues pruned to eliminate duplicates Z: 23 8.647 1.901 0.388 0.211 0.773 0.409 CB 1.273 23 residues pruned to eliminate duplicates Z: 35 16.816 1.989 0.656 0.386 0.882 0.500 CB 1.120 35 residues pruned to eliminate duplicates Z: 17 14.274 2.034 0.611 0.401 0.875 0.562 CB 1.382 17 residues pruned to eliminate duplicates Z: 34 18.319 1.973 0.616 0.350 0.879 0.273 CB 1.339 34 residues pruned to eliminate duplicates Z: 12 9.582 1.987 0.747 0.494 0.818 0.273 CB 1.024 12 residues pruned to eliminate duplicates Z: 15 8.729 1.641 0.888 0.331 0.714 0.429 CB 1.268 15 residues pruned to eliminate duplicates Z: 31 8.604 1.887 0.506 0.215 0.667 0.467 CB 1.160 31 residues pruned to eliminate duplicates Z: 11 9.414 2.056 0.609 0.407 0.800 0.400 CB 1.240 11 residues pruned to eliminate duplicates Z: 35 15.433 1.949 0.534 0.302 0.824 0.471 CB 1.339 35 residues pruned to eliminate duplicates Z: 17 13.991 2.105 0.710 0.506 0.688 0.500 CB 1.406 17 residues pruned to eliminate duplicates Z: 14 14.781 2.091 0.770 0.396 0.923 0.308 CB 1.339 14 residues pruned to eliminate duplicates Z: 33 14.548 1.948 0.632 0.374 0.750 0.281 CB 1.235 33 residues pruned to eliminate duplicates Z: 19 14.867 2.071 0.676 0.477 0.722 0.389 CB 1.431 19 residues pruned to eliminate duplicates Z: 40 17.396 1.991 0.662 0.328 0.821 0.462 CB 1.239 40 residues pruned to eliminate duplicates Z: 16 17.052 2.100 0.796 0.547 0.867 0.600 CB 1.287 16 residues pruned to eliminate duplicates Z: 39 17.738 1.980 0.681 0.409 0.816 0.500 CB 1.166 39 residues pruned to eliminate duplicates Z: 51 24.171 2.006 0.558 0.484 0.880 0.460 CB 1.263 51 residues pruned to eliminate duplicates Z: 53 18.809 1.981 0.654 0.367 0.712 0.423 CB 1.291 53 residues pruned to eliminate duplicates Z: 27 25.098 2.062 0.844 0.552 0.885 0.538 CB 1.392 27 residues pruned to eliminate duplicates Z: 17 12.356 1.959 0.652 0.413 0.812 0.312 CB 1.286 17 residues pruned to eliminate duplicates Z: 42 23.599 2.050 0.601 0.473 0.854 0.463 CB 1.352 42 residues pruned to eliminate duplicates Z: 26 23.111 2.023 0.770 0.555 0.840 0.520 CB 1.457 26 residues pruned to eliminate duplicates Z: 51 23.664 2.024 0.641 0.455 0.820 0.520 CB 1.286 51 residues pruned to eliminate duplicates Z: 15 10.313 1.825 0.964 0.442 0.786 0.429 CB 1.039 15 residues pruned to eliminate duplicates Z: 13 11.279 1.946 0.833 0.577 0.667 0.417 CB 1.272 13 residues pruned to eliminate duplicates Z: 17 20.678 2.021 0.651 0.720 0.875 0.750 CB 1.452 17 residues pruned to eliminate duplicates Z: 15 20.866 1.999 1.011 0.592 0.786 0.429 N 1.616 15 residues pruned to eliminate duplicates Z: 62 25.918 1.988 0.599 0.472 0.820 0.459 CB 1.310 62 residues pruned to eliminate duplicates Z: 59 30.399 1.990 0.719 0.471 0.862 0.345 CB 1.393 59 residues pruned to eliminate duplicates Z: 15 26.575 1.997 1.055 0.750 0.929 0.429 CB 1.492 15 residues pruned to eliminate duplicates Z: 16 25.154 1.872 1.097 0.660 0.933 0.467 CB 1.528 16 residues pruned to eliminate duplicates Z: 19 24.426 1.971 1.141 0.669 0.833 0.611 CB 1.401 19 residues pruned to eliminate duplicates Z: 15 18.775 2.037 0.925 0.731 0.714 0.571 CB 1.456 15 residues pruned to eliminate duplicates Z: 34 20.144 1.931 0.714 0.595 0.758 0.485 CB 1.277 34 residues pruned to eliminate duplicates Z: 20 19.700 1.986 0.982 0.626 0.789 0.474 CB 1.292 20 residues pruned to eliminate duplicates Z: 13 12.716 1.999 1.081 0.453 0.750 0.250 CB 1.234 13 residues pruned to eliminate duplicates Z: 31 18.898 2.037 0.889 0.499 0.700 0.367 CB 1.282 31 residues pruned to eliminate duplicates Z: 16 5.004 1.740 0.114 0.240 0.667 0.267 CB 1.350 Z: 6 2.971 1.614 0.113 0.381 0.800 0.200 CB 1.049 5 residues pruned to eliminate duplicates Z: 6 4.165 1.777 0.300 0.229 0.800 0.000 N 1.383 6 residues pruned to eliminate duplicates Z: 57 24.215 1.922 0.556 0.507 0.786 0.375 CB 1.368 74 residues pruned to eliminate duplicates Z: 7 4.799 1.858 -0.015 0.202 1.000 0.333 N 1.525 2 residues pruned to eliminate duplicates Z: 7 2.775 1.512 0.099 0.420 0.833 0.500 N 0.889 7 residues pruned to eliminate duplicates Z: 8 2.037 1.823 -0.060 0.212 0.571 0.000 CB 1.103 8 residues pruned to eliminate duplicates Z: 58 25.653 1.926 0.697 0.467 0.807 0.421 CB 1.333 67 residues pruned to eliminate duplicates 6 1.433 1.617 0.586 0.377 0.400 0.400 CB 0.712 ? Z: 13 8.327 1.822 0.320 0.614 0.833 0.667 CB 1.077 13 residues pruned to eliminate duplicates Z: 11 10.274 1.969 0.560 0.587 0.800 0.600 CB 1.216 9 residues pruned to eliminate duplicates Z: 16 16.887 1.809 0.582 0.783 1.000 0.600 CB 1.188 9 residues pruned to eliminate duplicates Z: 10 9.460 1.874 0.270 0.754 0.889 0.333 CB 1.188 10 residues pruned to eliminate duplicates Z: 24 10.033 1.856 0.262 0.315 0.783 0.304 CB 1.399 24 residues pruned to eliminate duplicates Z: 14 14.047 1.881 0.691 0.707 0.769 0.462 CB 1.319 14 residues pruned to eliminate duplicates Z: 10 11.116 1.990 0.723 0.551 0.778 0.667 CB 1.322 10 residues pruned to eliminate duplicates Z: 21 15.817 1.842 0.695 0.624 0.750 0.650 CB 1.344 18 residues pruned to eliminate duplicates Z: 15 16.989 1.828 0.553 0.858 0.929 0.714 CB 1.267 15 residues pruned to eliminate duplicates Z: 15 15.997 1.907 0.684 0.705 0.786 0.714 CB 1.406 15 residues pruned to eliminate duplicates Z: 22 14.389 1.817 0.439 0.605 0.762 0.333 CB 1.426 22 residues pruned to eliminate duplicates Z: 16 11.363 1.818 0.499 0.776 0.733 0.533 CB 1.150 16 residues pruned to eliminate duplicates Z: 7 10.455 1.772 0.803 0.720 0.833 0.833 CB 1.315 11 residues pruned to eliminate duplicates Z: 16 21.719 1.839 0.513 0.912 1.000 0.600 CB 1.428 16 residues pruned to eliminate duplicates Z: 13 20.977 1.930 0.685 0.904 0.917 0.583 CB 1.447 13 residues pruned to eliminate duplicates Z: 26 21.308 1.901 0.629 0.723 0.840 0.720 CB 1.340 17 residues pruned to eliminate duplicates Z: 9 3.347 1.460 0.352 0.475 0.625 0.125 CB 0.984 Z: 8 3.773 1.517 0.172 0.526 0.571 0.000 N 1.368 8 residues pruned to eliminate duplicates Z: 13 5.662 1.643 0.379 0.403 0.667 0.167 CB 1.199 Z: 9 10.584 1.633 0.520 0.795 0.875 0.625 CB 1.330 12 residues pruned to eliminate duplicates Z: 6 10.029 1.896 0.632 0.746 0.800 0.200 CB 1.454 7 residues pruned to eliminate duplicates Z: 6 6.214 1.712 0.653 0.659 0.600 0.200 CB 1.412 6 residues pruned to eliminate duplicates Z: 16 6.811 1.691 0.400 0.449 0.600 0.133 CB 1.304 16 residues pruned to eliminate duplicates Z: 10 6.581 1.807 0.593 0.525 0.667 0.222 CB 1.116 8 residues pruned to eliminate duplicates 869 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 9 D: 8 E: 12 F: 8 G: 14 H: 10 I: 53 J: 21 K: 11 L: 52 M: 18 N: 17 O: 12 P: 19 Q: 18 R: 73 S: 11 T: 12 U: 17 V: 9 W: 10 X: 23 Y: 10 Z: 33 Z: 23 Z: 19 Z: 6 Z: 9 Z: 12 Z: 66 Z: 74 Z: 8 Z: 14 Z: 93 Z: 11 Z: 22 Z: 18 CC for partial structure against native data = 33.76 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 2 used as input for final density modification = 0.300, Contrast = 0.550, Connect. = 0.722 for dens.mod. cycle 1 = 0.300, Contrast = 0.633, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.735, Connect. = 0.768 for dens.mod. cycle 3 = 0.300, Contrast = 0.749, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.761, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.767, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.772, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.774, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.775, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.775, Connect. = 0.777 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 6.05 - 4.80 - 4.19 - 3.81 - 3.54 - 3.33 - 3.16 - 3.02 - 2.90 - 2.80 0.758 0.747 0.773 0.730 0.729 0.736 0.701 0.632 0.561 0.526 0.889 0.887 0.910 0.887 0.891 0.910 0.887 0.811 0.725 0.672 N 4732 4756 4776 4678 4672 4753 4810 4832 4941 4255 Estimated mean FOM = 0.690 Pseudo-free CC = 71.12 % Best trace (cycle 2 with CC 35.73%) was saved as ./1vl6-2.8-parrot-noncs/1vl6-2.8-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 8.1 - FFTs and peak-searches 28.6 - Sphere of influence 0.5 - Rest of density modification 0.0 - Alpha-helix search 671.0 - Tripeptide search 7060.7 - Chain tracing TimeTaking 131.8