++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 14:37:02 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.ins Phases from ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.phi Native data from ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.hkl Listing output to ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.lst Phases output to ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.phs Poly-Ala trace output to ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 100040 Reflections read from file ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.phi 100040 Reflections read from file ./1ztc-2.1-parrot-hancs/1ztc-2.1-parrot-hancs.hkl 100040 Unique data, highest resolution = 2.100 Angstroms Anisotropic scaling: intensities multiplied by -0.000057h^2 -0.000028k^2 +0.000057l^2 +0.000000kl +0.000000hl +0.000000hk 368 Reflections with d > 2.300 and 0 in range 2.300 > d > 2.100 added Density sharpening factor set to 0.60 Fourier grid = 128 x 256 x 53 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.722 = 0.300, Contrast = 0.477, Connect. = 0.671 for dens.mod. cycle 1 = 0.300, Contrast = 0.563, Connect. = 0.674 for dens.mod. cycle 2 = 0.300, Contrast = 0.885, Connect. = 0.743 for dens.mod. cycle 3 = 0.300, Contrast = 1.061, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 1.162, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 1.213, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 1.239, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 1.248, Connect. = 0.808 for dens.mod. cycle 8 = 0.300, Contrast = 1.251, Connect. = 0.810 for dens.mod. cycle 9 = 0.300, Contrast = 1.248, Connect. = 0.811 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4588 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1050 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 44.730 2.294 1.160 0.866 0.938 0.750 CB 1.763 B: 17 53.914 2.366 1.191 0.875 1.000 0.688 CB 1.890 17 residues pruned to eliminate duplicates C: 17 41.385 2.365 0.947 0.835 0.938 0.812 CA 1.796 17 residues pruned to eliminate duplicates D: 16 34.227 2.418 0.620 0.871 0.867 0.733 CA 1.899 16 residues pruned to eliminate duplicates E: 18 30.416 2.033 1.106 0.852 0.824 0.647 CA 1.547 F: 12 48.123 2.469 1.345 0.921 1.000 0.818 CA 1.764 G: 16 40.223 2.308 1.232 0.853 0.933 0.733 CB 1.596 H: 18 33.955 2.234 0.991 0.836 0.882 0.706 CB 1.571 17 residues pruned to eliminate duplicates I: 12 32.218 2.408 1.043 0.904 0.909 0.909 CA 1.547 12 residues pruned to eliminate duplicates J: 12 37.112 2.344 1.319 0.904 0.909 0.545 CB 1.613 12 residues pruned to eliminate duplicates K: 6 12.005 1.924 0.518 0.737 1.000 0.800 CB 1.486 L: 17 38.473 2.238 1.144 0.849 0.938 0.625 CB 1.585 18 residues pruned to eliminate duplicates M: 16 35.750 2.283 1.169 0.886 0.933 0.800 CB 1.441 N: 15 36.899 2.312 1.150 0.580 1.000 0.500 CB 1.836 O: 17 50.104 2.371 1.117 0.895 0.938 0.875 CA 1.909 17 residues pruned to eliminate duplicates P: 14 45.099 2.220 1.662 0.914 1.000 0.615 CB 1.497 14 residues pruned to eliminate duplicates Q: 17 47.699 2.244 1.189 0.890 1.000 0.938 CA 1.747 18 residues pruned to eliminate duplicates R: 13 31.673 2.260 1.319 0.841 0.917 0.833 CA 1.419 S: 16 40.938 2.254 1.216 0.906 0.933 0.867 CB 1.613 17 residues pruned to eliminate duplicates T: 17 36.363 2.304 0.808 0.864 1.000 0.875 CA 1.600 17 residues pruned to eliminate duplicates U: 16 14.826 2.199 0.635 0.360 0.800 0.600 CB 1.548 V: 13 43.298 2.331 1.242 0.936 1.000 0.917 CA 1.666 12 residues pruned to eliminate duplicates W: 17 44.528 2.270 1.362 0.851 0.938 0.812 CB 1.640 17 residues pruned to eliminate duplicates X: 12 39.491 2.337 1.077 0.921 1.000 0.818 CA 1.726 12 residues pruned to eliminate duplicates Y: 9 19.846 2.434 1.060 0.693 0.625 0.375 CB 1.877 Z: 14 36.336 2.204 1.442 0.851 0.846 0.615 CB 1.638 14 residues pruned to eliminate duplicates Z: 12 35.120 2.343 1.052 0.927 1.000 0.909 CA 1.543 12 residues pruned to eliminate duplicates Z: 24 19.928 2.152 0.990 0.400 0.739 0.522 CB 1.459 Z: 10 15.309 2.251 1.270 0.282 0.889 0.333 CB 1.436 Z: 27 27.638 2.163 0.897 0.482 0.923 0.615 CB 1.457 Z: 16 38.688 2.335 1.302 0.813 0.867 0.800 CB 1.634 15 residues pruned to eliminate duplicates Z: 14 38.310 2.149 1.475 0.842 1.000 0.769 CB 1.488 27 residues pruned to eliminate duplicates Z: 11 26.010 1.959 1.253 0.857 1.000 0.700 CB 1.373 Z: 13 31.384 2.175 0.815 0.879 1.000 0.833 CA 1.664 13 residues pruned to eliminate duplicates Z: 19 43.818 2.236 1.088 0.863 0.944 0.778 CA 1.719 19 residues pruned to eliminate duplicates Z: 13 43.438 2.278 1.198 0.926 1.000 0.917 CA 1.757 14 residues pruned to eliminate duplicates Z: 19 40.698 2.121 1.092 0.891 0.944 0.778 CB 1.646 19 residues pruned to eliminate duplicates Z: 6 5.500 1.904 0.305 0.584 0.600 0.400 N 1.522 Z: 8 9.889 1.959 1.176 0.350 0.857 0.571 CB 1.203 Z: 11 30.875 2.108 1.128 0.874 1.000 0.800 CA 1.585 Z: 17 50.679 2.364 1.206 0.861 0.938 0.688 CB 1.905 17 residues pruned to eliminate duplicates Z: 6 5.157 1.946 0.414 0.600 0.800 0.200 CA 0.952 Z: 15 35.548 2.201 1.145 0.884 0.929 0.643 CB 1.566 Z: 14 49.091 2.569 0.983 0.867 1.000 0.846 CA 1.956 14 residues pruned to eliminate duplicates Z: 15 43.161 2.258 1.199 0.913 1.000 0.714 CB 1.643 15 residues pruned to eliminate duplicates Z: 9 25.218 2.173 1.655 0.671 0.750 0.375 CA 1.760 Z: 14 35.881 2.167 1.192 0.859 1.000 0.769 CA 1.541 14 residues pruned to eliminate duplicates Z: 16 35.072 2.237 1.027 0.879 0.933 0.867 CB 1.553 16 residues pruned to eliminate duplicates Z: 12 27.633 2.113 0.906 0.917 1.000 0.818 CA 1.459 Z: 19 38.035 2.066 0.982 0.896 1.000 0.667 CB 1.569 19 residues pruned to eliminate duplicates Z: 21 20.473 2.017 0.995 0.464 0.950 0.450 CB 1.243 Z: 12 22.228 2.120 1.282 0.748 0.727 0.455 CA 1.526 Z: 16 39.584 2.308 0.966 0.869 0.933 0.867 CA 1.762 Z: 12 24.822 1.982 0.929 0.800 1.000 0.818 CB 1.506 12 residues pruned to eliminate duplicates Z: 17 54.831 2.364 1.176 0.889 1.000 0.750 CA 1.919 17 residues pruned to eliminate duplicates Z: 18 42.501 2.141 1.199 0.871 0.882 0.706 CA 1.810 18 residues pruned to eliminate duplicates Z: 26 28.070 2.210 1.153 0.437 0.840 0.480 CB 1.499 10 residues pruned to eliminate duplicates Z: 13 35.374 2.306 1.051 0.909 1.000 0.833 CA 1.532 14 residues pruned to eliminate duplicates Z: 15 39.242 2.215 1.250 0.911 1.000 0.643 CB 1.492 15 residues pruned to eliminate duplicates Z: 13 26.208 2.024 0.953 0.849 0.917 0.750 CA 1.548 12 residues pruned to eliminate duplicates Z: 16 49.427 2.320 1.382 0.931 1.000 0.533 CB 1.615 16 residues pruned to eliminate duplicates Z: 10 15.060 1.986 1.376 0.653 0.556 0.333 CA 1.662 10 residues pruned to eliminate duplicates Z: 28 39.217 2.309 1.189 0.548 0.852 0.556 CB 1.673 11 residues pruned to eliminate duplicates Z: 11 25.886 2.416 1.221 0.705 0.700 0.400 CA 1.809 Z: 18 14.366 2.139 0.627 0.365 0.882 0.471 CB 1.312 18 residues pruned to eliminate duplicates Z: 16 34.366 2.308 0.684 0.853 0.933 0.800 CA 1.808 6 residues pruned to eliminate duplicates Z: 18 37.173 2.106 1.122 0.820 0.941 0.412 CA 1.623 18 residues pruned to eliminate duplicates Z: 77 58.155 2.243 1.166 0.469 0.855 0.461 CB 1.657 32 residues pruned to eliminate duplicates Z: 16 33.867 2.223 0.807 0.866 0.933 0.867 CA 1.707 16 residues pruned to eliminate duplicates Z: 108 65.517 2.165 1.195 0.500 0.850 0.514 CB 1.567 43 residues pruned to eliminate duplicates Z: 17 40.144 2.214 1.125 0.859 0.875 0.875 CA 1.794 17 residues pruned to eliminate duplicates Z: 26 22.591 2.204 0.851 0.332 0.840 0.560 CB 1.584 27 residues pruned to eliminate duplicates Z: 14 29.187 2.145 0.994 0.845 0.846 0.846 CA 1.663 14 residues pruned to eliminate duplicates Z: 13 42.287 2.277 1.220 0.929 1.000 0.917 CA 1.689 13 residues pruned to eliminate duplicates Z: 69 48.059 2.268 1.011 0.428 0.838 0.456 CB 1.643 59 residues pruned to eliminate duplicates Z: 9 20.809 2.085 1.398 0.806 0.750 0.625 CA 1.502 9 residues pruned to eliminate duplicates Z: 18 34.550 2.252 1.129 0.839 0.882 0.765 CB 1.479 18 residues pruned to eliminate duplicates Z: 14 39.679 2.491 1.320 0.648 0.923 0.538 CB 1.797 9 residues pruned to eliminate duplicates Z: 39 47.164 2.247 1.138 0.522 0.974 0.658 CB 1.601 24 residues pruned to eliminate duplicates Z: 18 18.839 2.077 0.747 0.412 0.882 0.647 CB 1.565 18 residues pruned to eliminate duplicates Z: 14 27.006 2.132 0.594 0.865 1.000 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 12 35.425 2.385 1.172 0.842 0.909 0.636 CB 1.690 12 residues pruned to eliminate duplicates Z: 23 29.713 2.180 1.239 0.377 0.864 0.500 CA 1.713 23 residues pruned to eliminate duplicates Z: 12 34.449 2.343 0.736 0.874 1.000 0.727 CA 1.860 12 residues pruned to eliminate duplicates Z: 14 25.726 2.076 0.861 0.893 0.923 0.923 CA 1.436 14 residues pruned to eliminate duplicates Z: 15 34.030 2.313 0.813 0.852 0.929 0.857 CA 1.728 15 residues pruned to eliminate duplicates Z: 18 33.466 2.205 1.178 0.824 0.882 0.706 CB 1.447 18 residues pruned to eliminate duplicates Z: 12 24.270 2.149 1.373 0.678 0.818 0.273 CB 1.489 12 residues pruned to eliminate duplicates Z: 11 29.974 2.133 0.835 0.919 1.000 0.800 CA 1.707 11 residues pruned to eliminate duplicates Z: 23 46.209 2.274 1.224 0.691 1.000 0.773 CB 1.636 17 residues pruned to eliminate duplicates Z: 38 27.049 2.032 0.858 0.475 0.838 0.514 CB 1.442 Z: 6 11.463 2.114 0.718 0.775 0.800 0.600 CA 1.385 Z: 46 48.932 2.157 1.153 0.553 0.911 0.622 CA 1.638 31 residues pruned to eliminate duplicates Z: 71 50.124 2.242 1.120 0.468 0.843 0.471 CB 1.544 74 residues pruned to eliminate duplicates Z: 26 23.283 2.237 0.760 0.448 0.800 0.600 CB 1.559 Z: 8 17.404 2.313 1.187 0.706 0.714 0.286 CA 1.509 8 residues pruned to eliminate duplicates Z: 19 15.293 2.149 0.897 0.432 0.833 0.500 CB 1.138 Z: 8 8.829 1.836 1.249 0.539 0.714 0.571 CB 1.089 Z: 9 16.771 2.166 1.459 0.612 0.750 0.375 CB 1.334 9 residues pruned to eliminate duplicates Z: 14 29.470 2.099 1.298 0.816 0.923 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 12 44.244 2.296 1.745 0.912 0.909 0.545 CB 1.649 12 residues pruned to eliminate duplicates Z: 13 27.960 2.055 0.957 0.874 0.917 0.833 CB 1.593 Z: 14 25.663 2.285 1.030 0.448 0.923 0.462 CA 1.753 Z: 13 28.560 1.995 0.924 0.878 1.000 0.917 CB 1.558 13 residues pruned to eliminate duplicates Z: 17 41.349 2.186 1.284 0.866 0.938 0.812 CB 1.617 17 residues pruned to eliminate duplicates Z: 16 32.334 2.172 1.251 0.870 0.933 0.533 CB 1.335 16 residues pruned to eliminate duplicates Z: 22 18.244 2.058 0.925 0.376 0.952 0.571 CB 1.204 22 residues pruned to eliminate duplicates Z: 18 40.035 2.076 1.069 0.892 1.000 0.941 CA 1.624 18 residues pruned to eliminate duplicates Z: 55 46.946 2.238 1.025 0.483 0.907 0.537 CB 1.580 55 residues pruned to eliminate duplicates Z: 13 28.746 1.932 1.331 0.857 0.917 0.667 CA 1.481 13 residues pruned to eliminate duplicates Z: 9 9.293 1.882 1.138 0.477 0.750 0.375 N 1.114 Z: 17 37.006 2.154 1.355 0.904 0.938 0.500 CB 1.386 17 residues pruned to eliminate duplicates Z: 12 26.128 2.124 0.891 0.916 0.909 0.818 CB 1.524 13 residues pruned to eliminate duplicates Z: 18 36.306 2.083 1.175 0.878 0.882 0.647 CA 1.598 18 residues pruned to eliminate duplicates Z: 9 15.753 2.393 1.203 0.584 0.500 0.375 CA 1.949 9 residues pruned to eliminate duplicates Z: 17 50.469 2.397 1.265 0.850 0.938 0.500 CA 1.837 17 residues pruned to eliminate duplicates Z: 15 50.149 2.415 1.554 0.940 0.929 0.643 CB 1.626 15 residues pruned to eliminate duplicates Z: 15 42.548 2.240 1.228 0.916 1.000 0.857 CB 1.610 15 residues pruned to eliminate duplicates Z: 15 29.276 2.208 0.788 0.913 1.000 0.929 CA 1.403 Z: 12 37.789 2.342 1.265 0.879 0.909 0.636 CA 1.713 12 residues pruned to eliminate duplicates Z: 63 45.399 2.202 1.000 0.494 0.871 0.613 CB 1.513 32 residues pruned to eliminate duplicates Z: 13 34.398 2.043 1.204 0.908 1.000 0.917 CB 1.566 13 residues pruned to eliminate duplicates Z: 11 49.022 2.420 1.522 0.933 1.000 0.400 CB 1.772 11 residues pruned to eliminate duplicates Z: 9 10.477 2.065 0.749 0.813 0.500 0.250 CB 1.562 9 residues pruned to eliminate duplicates Z: 17 40.123 2.189 1.276 0.842 0.938 0.625 CA 1.600 17 residues pruned to eliminate duplicates Z: 17 21.741 2.123 0.926 0.328 0.938 0.688 CB 1.712 17 residues pruned to eliminate duplicates Z: 12 11.422 2.010 0.914 0.283 0.909 0.636 CB 1.257 12 residues pruned to eliminate duplicates Z: 10 21.004 2.093 0.585 0.907 1.000 0.889 CA 1.500 Z: 12 20.624 1.988 0.895 0.859 0.909 0.818 CA 1.336 12 residues pruned to eliminate duplicates Z: 15 44.456 2.346 1.386 0.886 0.929 0.857 CB 1.650 15 residues pruned to eliminate duplicates Z: 29 42.557 2.225 1.188 0.581 0.929 0.643 CB 1.646 28 residues pruned to eliminate duplicates Z: 24 27.359 2.158 1.107 0.473 0.826 0.652 CB 1.560 24 residues pruned to eliminate duplicates Z: 13 11.666 1.987 0.678 0.362 0.833 0.500 CA 1.405 13 residues pruned to eliminate duplicates Z: 14 39.785 2.189 1.678 0.871 0.846 0.538 CB 1.623 14 residues pruned to eliminate duplicates Z: 20 16.860 2.149 0.760 0.303 0.842 0.421 CB 1.513 Z: 12 37.798 2.327 1.314 0.875 0.909 0.727 CA 1.694 12 residues pruned to eliminate duplicates Z: 18 26.020 2.295 1.052 0.507 0.765 0.412 CB 1.740 16 residues pruned to eliminate duplicates Z: 9 22.243 2.234 1.259 0.727 0.750 0.500 CB 1.694 9 residues pruned to eliminate duplicates Z: 15 43.148 2.417 1.041 0.849 0.929 0.571 CB 1.866 15 residues pruned to eliminate duplicates Z: 29 32.385 2.154 0.908 0.508 0.929 0.571 CB 1.591 29 residues pruned to eliminate duplicates Z: 26 37.834 2.177 1.275 0.480 0.920 0.640 CB 1.694 26 residues pruned to eliminate duplicates Z: 11 29.373 2.103 1.178 0.885 1.000 0.900 CB 1.464 11 residues pruned to eliminate duplicates Z: 24 18.913 2.174 0.821 0.288 0.870 0.522 CB 1.453 10 residues pruned to eliminate duplicates Z: 7 13.907 1.952 1.283 0.601 0.833 0.667 CB 1.389 7 residues pruned to eliminate duplicates Z: 22 32.472 2.182 1.167 0.519 0.952 0.619 CB 1.545 26 residues pruned to eliminate duplicates Z: 45 46.762 2.272 1.224 0.470 0.909 0.455 CB 1.582 25 residues pruned to eliminate duplicates Z: 91 68.933 2.217 1.197 0.543 0.911 0.511 CB 1.570 86 residues pruned to eliminate duplicates Z: 14 40.247 2.257 1.444 0.883 0.923 0.769 CB 1.585 14 residues pruned to eliminate duplicates Z: 12 42.969 2.426 1.422 0.936 0.909 0.818 CA 1.689 12 residues pruned to eliminate duplicates Z: 19 41.012 2.103 1.089 0.870 1.000 0.722 CB 1.605 19 residues pruned to eliminate duplicates Z: 12 27.451 1.969 1.240 0.859 1.000 0.818 CB 1.380 10 residues pruned to eliminate duplicates Z: 16 44.663 2.466 0.961 0.839 0.933 0.667 CB 1.908 16 residues pruned to eliminate duplicates Z: 17 39.787 2.247 1.388 0.881 1.000 0.750 CB 1.342 17 residues pruned to eliminate duplicates Z: 18 18.357 2.189 0.856 0.443 0.824 0.647 CB 1.412 Z: 16 47.747 2.385 1.011 0.905 1.000 0.733 CA 1.830 16 residues pruned to eliminate duplicates Z: 25 24.678 2.079 0.966 0.404 0.875 0.500 CB 1.558 25 residues pruned to eliminate duplicates Z: 12 38.453 2.365 0.975 0.933 1.000 1.000 CA 1.733 13 residues pruned to eliminate duplicates Z: 42 32.403 2.167 0.955 0.418 0.854 0.512 CB 1.524 28 residues pruned to eliminate duplicates Z: 15 39.988 2.341 1.131 0.909 1.000 0.857 CB 1.520 15 residues pruned to eliminate duplicates Z: 15 46.273 2.358 1.141 0.887 1.000 0.786 CB 1.767 17 residues pruned to eliminate duplicates Z: 20 23.218 2.118 1.032 0.346 0.947 0.474 CB 1.544 20 residues pruned to eliminate duplicates Z: 7 9.442 1.654 0.959 0.764 0.833 0.833 CA 1.130 7 residues pruned to eliminate duplicates Z: 18 14.082 1.897 1.073 0.386 0.882 0.588 CB 1.111 17 residues pruned to eliminate duplicates Z: 26 10.934 1.855 0.773 0.300 0.800 0.400 CB 1.039 16 residues pruned to eliminate duplicates Z: 17 34.913 2.170 0.968 0.881 0.875 0.562 CA 1.691 17 residues pruned to eliminate duplicates Z: 12 21.907 1.943 0.912 0.849 1.000 0.909 CA 1.319 12 residues pruned to eliminate duplicates Z: 13 42.162 2.296 1.398 0.925 0.917 0.833 CB 1.691 13 residues pruned to eliminate duplicates Z: 39 51.131 2.279 1.193 0.602 0.921 0.553 CB 1.634 39 residues pruned to eliminate duplicates Z: 12 35.327 2.332 1.318 0.862 0.909 0.818 CB 1.591 12 residues pruned to eliminate duplicates Z: 17 44.973 2.279 1.015 0.842 1.000 0.812 CA 1.825 17 residues pruned to eliminate duplicates Z: 14 34.869 2.123 1.356 0.888 0.923 0.846 CA 1.509 14 residues pruned to eliminate duplicates Z: 13 25.213 1.881 1.186 0.880 0.917 0.833 CB 1.400 12 residues pruned to eliminate duplicates Z: 6 7.078 2.111 0.765 0.443 1.000 0.400 CB 0.901 6 residues pruned to eliminate duplicates Z: 13 27.212 2.024 0.771 0.901 1.000 0.917 CB 1.564 13 residues pruned to eliminate duplicates Z: 13 13.451 2.079 0.843 0.361 0.833 0.500 CB 1.413 Z: 15 26.634 2.195 0.975 0.886 0.786 0.786 CB 1.507 15 residues pruned to eliminate duplicates Z: 19 17.769 2.070 0.893 0.384 0.833 0.556 CB 1.450 18 residues pruned to eliminate duplicates Z: 24 28.551 2.237 1.031 0.473 0.826 0.522 CB 1.630 24 residues pruned to eliminate duplicates Z: 44 45.534 2.225 1.192 0.604 0.814 0.581 CB 1.584 43 residues pruned to eliminate duplicates Z: 18 17.070 2.082 0.913 0.391 0.765 0.471 CB 1.525 18 residues pruned to eliminate duplicates Z: 15 34.662 2.206 1.146 0.896 1.000 0.714 CA 1.401 15 residues pruned to eliminate duplicates Z: 13 27.828 2.106 1.121 0.844 0.917 0.917 CB 1.460 13 residues pruned to eliminate duplicates Z: 15 30.876 2.121 1.119 0.830 0.929 0.571 CB 1.487 15 residues pruned to eliminate duplicates Z: 6 16.746 2.186 1.565 0.822 0.600 0.200 CB 1.685 6 residues pruned to eliminate duplicates Z: 44 45.401 2.317 1.178 0.481 0.837 0.512 CB 1.671 44 residues pruned to eliminate duplicates Z: 21 33.522 2.193 1.339 0.461 0.900 0.550 CA 1.690 21 residues pruned to eliminate duplicates Z: 16 32.398 2.204 0.797 0.833 1.000 0.867 CA 1.585 16 residues pruned to eliminate duplicates Z: 28 27.250 2.086 1.089 0.423 0.852 0.481 CB 1.531 28 residues pruned to eliminate duplicates Z: 16 38.530 2.239 1.074 0.834 1.000 0.533 CA 1.606 16 residues pruned to eliminate duplicates Z: 12 10.555 1.819 0.977 0.392 0.818 0.545 CB 1.213 12 residues pruned to eliminate duplicates Z: 62 43.111 2.188 1.091 0.437 0.820 0.525 CB 1.571 62 residues pruned to eliminate duplicates Z: 17 35.425 2.158 1.218 0.906 0.875 0.750 CA 1.505 17 residues pruned to eliminate duplicates Z: 11 12.894 2.135 0.713 0.342 1.000 0.500 CB 1.323 11 residues pruned to eliminate duplicates Z: 21 20.313 2.029 0.963 0.463 0.750 0.500 CA 1.579 21 residues pruned to eliminate duplicates Z: 22 8.956 1.849 0.775 0.275 0.762 0.333 CB 1.008 22 residues pruned to eliminate duplicates Z: 11 17.998 2.174 1.094 0.475 0.800 0.600 CA 1.603 11 residues pruned to eliminate duplicates Z: 15 35.627 2.201 1.255 0.871 0.929 0.714 CA 1.507 15 residues pruned to eliminate duplicates Z: 14 26.679 2.199 0.975 0.874 0.846 0.846 CB 1.465 14 residues pruned to eliminate duplicates Z: 34 32.019 2.187 1.195 0.484 0.879 0.515 CB 1.343 38 residues pruned to eliminate duplicates Z: 106 74.702 2.291 1.128 0.516 0.895 0.543 CB 1.644 110 residues pruned to eliminate duplicates Z: 13 46.872 2.263 1.605 0.899 0.917 0.667 CA 1.791 13 residues pruned to eliminate duplicates Z: 9 20.683 2.248 0.810 0.484 1.000 0.625 CA 1.826 9 residues pruned to eliminate duplicates Z: 19 20.896 2.247 0.907 0.368 0.833 0.444 CB 1.589 19 residues pruned to eliminate duplicates Z: 26 31.993 2.237 0.967 0.430 0.920 0.520 CB 1.699 26 residues pruned to eliminate duplicates Z: 6 6.071 1.723 0.052 0.728 1.000 0.800 CA 1.220 Z: 34 25.405 2.087 1.130 0.358 0.788 0.455 CB 1.472 34 residues pruned to eliminate duplicates Z: 12 17.795 2.106 0.894 0.719 0.727 0.364 CB 1.516 12 residues pruned to eliminate duplicates Z: 11 15.029 2.152 0.875 0.334 0.900 0.600 CB 1.569 11 residues pruned to eliminate duplicates Z: 17 40.551 2.156 1.234 0.891 0.938 0.688 CB 1.613 17 residues pruned to eliminate duplicates Z: 15 44.914 2.402 1.313 0.920 0.929 0.643 CB 1.638 15 residues pruned to eliminate duplicates Z: 9 22.868 1.907 0.993 0.906 1.000 0.750 CB 1.513 9 residues pruned to eliminate duplicates Z: 12 25.276 2.055 0.783 0.918 1.000 0.818 CB 1.467 12 residues pruned to eliminate duplicates Z: 21 22.177 2.119 1.129 0.441 0.900 0.650 CB 1.299 37 residues pruned to eliminate duplicates Z: 18 32.483 2.084 1.305 0.832 0.824 0.647 CA 1.496 18 residues pruned to eliminate duplicates Z: 14 36.463 2.219 1.084 0.910 1.000 0.615 CB 1.550 14 residues pruned to eliminate duplicates Z: 9 7.256 2.025 0.781 0.347 0.625 0.375 CB 1.344 8 residues pruned to eliminate duplicates Z: 23 33.261 2.273 1.313 0.479 0.909 0.500 CB 1.515 23 residues pruned to eliminate duplicates Z: 17 37.214 2.210 1.187 0.846 0.875 0.750 CA 1.635 17 residues pruned to eliminate duplicates Z: 12 28.105 2.064 1.046 0.885 1.000 0.909 CA 1.449 13 residues pruned to eliminate duplicates Z: 6 10.805 1.938 0.799 0.734 0.800 0.400 CA 1.404 6 residues pruned to eliminate duplicates Z: 16 20.354 2.218 0.847 0.424 0.867 0.600 CB 1.602 16 residues pruned to eliminate duplicates Z: 11 30.227 2.142 1.150 0.889 1.000 0.900 CA 1.494 12 residues pruned to eliminate duplicates Z: 8 17.564 2.046 0.711 0.848 1.000 0.571 CA 1.406 8 residues pruned to eliminate duplicates Z: 11 21.211 2.023 0.928 0.886 1.000 0.900 CB 1.241 11 residues pruned to eliminate duplicates Z: 31 20.249 2.104 0.675 0.294 0.867 0.367 CA 1.524 31 residues pruned to eliminate duplicates Z: 7 7.112 2.353 0.165 0.242 0.833 0.333 CB 1.714 7 residues pruned to eliminate duplicates Z: 10 7.108 2.120 0.629 0.354 0.556 0.444 CB 1.447 10 residues pruned to eliminate duplicates Z: 12 27.951 1.979 1.262 0.874 1.000 0.636 CA 1.370 12 residues pruned to eliminate duplicates Z: 16 45.786 2.293 1.035 0.891 1.000 0.733 CA 1.822 16 residues pruned to eliminate duplicates Z: 13 18.914 2.002 0.670 0.873 0.833 0.750 CB 1.427 13 residues pruned to eliminate duplicates Z: 25 21.208 1.868 0.922 0.531 0.833 0.625 CB 1.403 25 residues pruned to eliminate duplicates Z: 37 35.081 2.251 1.053 0.399 0.861 0.472 CB 1.634 20 residues pruned to eliminate duplicates Z: 9 22.467 2.191 0.944 0.745 0.875 0.375 CB 1.712 9 residues pruned to eliminate duplicates Z: 15 38.389 2.329 0.912 0.866 1.000 0.786 CA 1.687 15 residues pruned to eliminate duplicates Z: 7 5.428 1.651 0.340 0.727 1.000 0.833 CB 0.816 7 residues pruned to eliminate duplicates Z: 9 8.557 1.861 0.390 0.586 0.750 0.625 O 1.436 Z: 15 48.129 2.337 1.308 0.860 1.000 0.857 CA 1.754 15 residues pruned to eliminate duplicates Z: 11 19.150 2.202 0.757 0.494 0.900 0.700 CB 1.750 11 residues pruned to eliminate duplicates Z: 37 38.378 2.322 0.946 0.505 0.861 0.611 CB 1.635 37 residues pruned to eliminate duplicates Z: 64 56.518 2.263 1.022 0.527 0.905 0.524 CB 1.675 64 residues pruned to eliminate duplicates Z: 24 25.077 2.168 1.309 0.343 0.783 0.304 CB 1.584 24 residues pruned to eliminate duplicates Z: 14 37.877 2.214 1.357 0.887 0.923 0.769 CB 1.572 14 residues pruned to eliminate duplicates Z: 17 40.031 2.186 1.035 0.906 0.938 0.938 CA 1.706 17 residues pruned to eliminate duplicates Z: 17 33.027 2.184 0.711 0.886 1.000 0.875 CA 1.595 17 residues pruned to eliminate duplicates Z: 8 20.509 2.117 1.161 0.747 1.000 0.857 N 1.358 Z: 11 32.766 2.204 0.949 0.925 1.000 0.900 CA 1.692 11 residues pruned to eliminate duplicates Z: 43 32.434 2.185 0.915 0.456 0.833 0.524 CB 1.501 61 residues pruned to eliminate duplicates Z: 14 36.184 2.115 1.417 0.891 1.000 0.615 CA 1.412 14 residues pruned to eliminate duplicates Z: 19 22.679 2.065 1.170 0.536 0.778 0.556 CB 1.481 19 residues pruned to eliminate duplicates Z: 27 32.554 2.100 0.967 0.572 0.846 0.500 CB 1.704 21 residues pruned to eliminate duplicates Z: 18 31.491 2.132 1.029 0.733 0.941 0.824 CB 1.521 18 residues pruned to eliminate duplicates Z: 7 5.975 2.108 1.088 0.392 0.500 0.500 CA 1.243 7 residues pruned to eliminate duplicates Z: 17 38.339 2.182 0.909 0.858 1.000 0.562 CA 1.695 17 residues pruned to eliminate duplicates Z: 20 32.027 2.260 1.216 0.478 0.947 0.632 CB 1.584 20 residues pruned to eliminate duplicates Z: 13 42.995 2.270 1.658 0.860 0.917 0.667 CA 1.651 13 residues pruned to eliminate duplicates Z: 16 38.470 2.326 0.905 0.887 0.933 0.733 CA 1.731 16 residues pruned to eliminate duplicates Z: 8 15.224 2.172 0.374 0.683 1.000 0.571 CA 1.630 8 residues pruned to eliminate duplicates Z: 12 28.097 2.069 1.013 0.872 1.000 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 16 33.837 2.239 0.979 0.833 0.933 0.600 CA 1.585 16 residues pruned to eliminate duplicates Z: 16 12.142 1.902 0.957 0.319 0.667 0.467 CB 1.543 16 residues pruned to eliminate duplicates Z: 9 20.090 2.415 1.356 0.383 0.875 0.500 CB 1.616 9 residues pruned to eliminate duplicates Z: 59 69.145 2.369 1.238 0.556 0.948 0.621 CB 1.711 68 residues pruned to eliminate duplicates Z: 18 27.125 2.105 1.126 0.556 0.882 0.412 CB 1.578 18 residues pruned to eliminate duplicates Z: 21 31.656 2.245 1.402 0.446 0.900 0.600 CB 1.542 21 residues pruned to eliminate duplicates Z: 13 45.091 2.329 1.467 0.860 1.000 0.750 CB 1.666 13 residues pruned to eliminate duplicates Z: 11 26.219 2.011 1.071 0.871 1.000 0.900 CA 1.452 11 residues pruned to eliminate duplicates Z: 24 29.532 2.154 1.148 0.514 0.913 0.609 CB 1.439 24 residues pruned to eliminate duplicates Z: 24 32.317 2.206 1.130 0.583 0.826 0.565 CB 1.603 24 residues pruned to eliminate duplicates Z: 25 29.243 2.141 1.065 0.449 0.875 0.542 CB 1.625 25 residues pruned to eliminate duplicates Z: 55 34.324 2.134 0.966 0.436 0.815 0.481 CB 1.460 55 residues pruned to eliminate duplicates Z: 8 6.121 1.989 0.241 0.333 0.714 0.714 CB 1.577 8 residues pruned to eliminate duplicates Z: 32 43.022 2.378 1.274 0.499 0.903 0.516 CB 1.583 32 residues pruned to eliminate duplicates Z: 25 33.950 2.141 0.967 0.633 0.958 0.750 CB 1.516 25 residues pruned to eliminate duplicates Z: 30 25.449 2.156 1.047 0.370 0.828 0.448 CB 1.486 27 residues pruned to eliminate duplicates Z: 59 62.149 2.266 1.215 0.569 0.931 0.517 CB 1.633 59 residues pruned to eliminate duplicates Z: 7 11.511 1.760 1.067 0.642 1.000 0.833 CA 1.131 7 residues pruned to eliminate duplicates Z: 18 24.247 2.161 0.881 0.512 0.882 0.647 CA 1.621 18 residues pruned to eliminate duplicates Z: 17 27.136 1.991 1.014 0.836 0.938 0.812 CA 1.351 17 residues pruned to eliminate duplicates Z: 9 9.794 1.670 0.723 0.367 1.000 0.500 N 1.388 7 residues pruned to eliminate duplicates Z: 9 18.346 2.099 1.046 0.528 0.875 0.500 CA 1.680 9 residues pruned to eliminate duplicates Z: 11 13.905 1.771 0.918 0.716 0.800 0.700 CB 1.331 11 residues pruned to eliminate duplicates Z: 66 55.396 2.269 1.233 0.499 0.908 0.508 CB 1.495 66 residues pruned to eliminate duplicates Z: 24 36.293 2.086 1.180 0.671 0.957 0.652 CB 1.487 16 residues pruned to eliminate duplicates Z: 6 12.653 1.880 0.968 0.881 1.000 0.400 CA 1.107 6 residues pruned to eliminate duplicates Z: 92 69.093 2.214 1.153 0.548 0.901 0.560 CB 1.609 92 residues pruned to eliminate duplicates Z: 9 11.420 1.679 0.439 0.801 1.000 0.500 O 1.285 9 residues pruned to eliminate duplicates Z: 17 24.413 2.079 0.842 0.845 0.812 0.625 CB 1.458 17 residues pruned to eliminate duplicates Z: 15 41.169 2.315 1.218 0.899 0.929 0.643 CB 1.650 15 residues pruned to eliminate duplicates Z: 13 19.330 2.058 1.015 0.513 1.000 0.583 CB 1.328 13 residues pruned to eliminate duplicates Z: 9 17.679 1.704 0.810 0.845 1.000 0.500 N 1.507 9 residues pruned to eliminate duplicates Z: 16 39.132 2.217 1.054 0.897 1.000 0.867 CB 1.589 16 residues pruned to eliminate duplicates Z: 8 15.240 1.943 1.137 0.609 1.000 0.571 CB 1.251 Z: 24 41.958 2.373 1.234 0.549 0.913 0.391 CB 1.723 24 residues pruned to eliminate duplicates Z: 9 11.331 1.743 0.575 0.734 0.875 0.375 CA 1.351 9 residues pruned to eliminate duplicates Z: 11 25.196 2.122 0.790 0.920 1.000 0.900 CA 1.477 11 residues pruned to eliminate duplicates Z: 26 25.403 2.173 0.809 0.496 0.920 0.480 CB 1.411 26 residues pruned to eliminate duplicates Z: 20 32.816 2.273 1.236 0.475 0.895 0.579 CB 1.698 20 residues pruned to eliminate duplicates Z: 69 45.538 2.175 0.949 0.464 0.853 0.529 CB 1.584 69 residues pruned to eliminate duplicates Z: 13 22.456 1.874 0.787 0.854 1.000 0.750 CA 1.430 13 residues pruned to eliminate duplicates Z: 14 38.084 2.169 1.430 0.862 1.000 0.692 CB 1.472 14 residues pruned to eliminate duplicates Z: 11 11.272 2.247 0.308 0.267 1.000 0.700 CA 1.582 Z: 18 16.719 2.105 0.667 0.383 0.941 0.588 CB 1.391 11 residues pruned to eliminate duplicates Z: 36 30.409 2.089 1.026 0.496 0.829 0.571 CB 1.471 33 residues pruned to eliminate duplicates Z: 37 30.021 2.023 1.117 0.476 0.833 0.556 CB 1.436 37 residues pruned to eliminate duplicates Z: 28 23.896 2.150 0.860 0.362 0.852 0.370 CB 1.566 28 residues pruned to eliminate duplicates Z: 23 23.239 2.120 0.959 0.463 0.818 0.500 CB 1.514 23 residues pruned to eliminate duplicates Z: 28 29.759 2.202 1.139 0.396 0.852 0.556 CB 1.594 28 residues pruned to eliminate duplicates Z: 12 30.122 1.911 1.215 0.870 1.000 0.818 CB 1.566 12 residues pruned to eliminate duplicates Z: 17 15.243 2.126 0.671 0.370 0.938 0.750 CB 1.316 18 residues pruned to eliminate duplicates Z: 10 9.707 2.031 0.905 0.252 0.889 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 12 36.343 2.140 1.269 0.926 1.000 0.727 CB 1.583 12 residues pruned to eliminate duplicates Z: 6 6.316 1.492 0.615 0.788 1.000 0.600 CB 0.910 6 residues pruned to eliminate duplicates Z: 13 26.363 1.968 0.866 0.835 1.000 0.750 CA 1.552 13 residues pruned to eliminate duplicates Z: 17 14.173 1.941 0.953 0.370 0.812 0.500 CB 1.322 13 residues pruned to eliminate duplicates Z: 10 10.886 1.740 0.579 0.628 1.000 0.667 CB 1.171 10 residues pruned to eliminate duplicates Z: 13 25.030 1.926 1.195 0.888 0.917 0.917 CB 1.343 13 residues pruned to eliminate duplicates Z: 48 56.055 2.336 1.267 0.541 0.894 0.574 CB 1.660 48 residues pruned to eliminate duplicates Z: 12 5.321 1.959 0.369 0.256 0.727 0.455 CB 1.088 12 residues pruned to eliminate duplicates Z: 11 14.015 1.881 0.950 0.321 0.900 0.400 O 1.635 11 residues pruned to eliminate duplicates Z: 17 41.820 2.337 1.105 0.858 0.938 0.562 CA 1.670 17 residues pruned to eliminate duplicates Z: 43 33.439 2.128 1.036 0.435 0.881 0.548 CB 1.445 43 residues pruned to eliminate duplicates Z: 8 14.868 1.924 0.930 0.588 1.000 0.714 CB 1.391 Z: 59 49.475 2.258 1.208 0.490 0.828 0.397 CB 1.591 70 residues pruned to eliminate duplicates Z: 27 18.132 1.986 0.708 0.416 0.885 0.346 CB 1.294 43 residues pruned to eliminate duplicates Z: 32 29.300 2.007 0.838 0.547 0.903 0.677 CB 1.508 32 residues pruned to eliminate duplicates Z: 12 16.477 2.246 1.260 0.661 0.545 0.455 CB 1.546 12 residues pruned to eliminate duplicates Z: 6 14.007 2.123 1.292 0.625 0.800 0.800 CB 1.431 6 residues pruned to eliminate duplicates Z: 9 9.914 1.794 0.871 0.492 0.875 0.625 CB 1.203 Z: 7 13.738 1.896 0.958 0.640 0.833 0.333 O 1.590 Z: 13 18.341 2.038 0.821 0.452 1.000 0.583 CB 1.498 Z: 15 6.861 1.831 0.571 0.235 0.786 0.286 CB 1.104 Z: 8 11.886 1.926 1.078 0.854 0.571 0.286 N 1.452 8 residues pruned to eliminate duplicates Z: 13 21.749 2.063 0.684 0.874 0.917 0.750 CA 1.435 13 residues pruned to eliminate duplicates Z: 13 7.837 1.847 0.493 0.409 0.833 0.583 CB 1.083 13 residues pruned to eliminate duplicates Z: 13 42.481 2.329 1.538 0.848 1.000 0.500 CB 1.539 13 residues pruned to eliminate duplicates Z: 25 26.835 2.120 1.177 0.388 0.833 0.500 CB 1.603 25 residues pruned to eliminate duplicates Z: 11 15.130 1.903 0.983 0.547 0.800 0.800 N 1.514 11 residues pruned to eliminate duplicates Z: 61 51.204 2.287 1.087 0.465 0.867 0.633 CB 1.656 61 residues pruned to eliminate duplicates Z: 11 19.413 2.006 0.688 0.909 1.000 0.900 CA 1.287 11 residues pruned to eliminate duplicates Z: 6 6.504 2.097 0.052 0.757 0.800 0.600 CA 1.311 6 residues pruned to eliminate duplicates Z: 13 21.122 1.973 0.959 0.836 0.917 0.583 CA 1.287 13 residues pruned to eliminate duplicates Z: 7 2.035 1.831 0.080 0.588 0.833 0.667 CB 0.463 Z: 27 22.034 2.167 0.893 0.365 0.808 0.462 CB 1.509 27 residues pruned to eliminate duplicates Z: 14 37.999 2.235 1.108 0.925 1.000 0.462 CB 1.569 14 residues pruned to eliminate duplicates Z: 9 14.644 1.988 1.040 0.612 0.875 0.625 N 1.313 9 residues pruned to eliminate duplicates Z: 13 35.861 2.062 1.541 0.862 1.000 0.750 CB 1.451 13 residues pruned to eliminate duplicates Z: 14 40.413 2.290 1.171 0.918 1.000 0.846 CB 1.590 14 residues pruned to eliminate duplicates Z: 17 16.118 2.002 0.809 0.444 0.938 0.500 CB 1.258 20 residues pruned to eliminate duplicates Z: 9 17.761 1.954 1.401 0.783 0.875 0.625 CA 1.193 9 residues pruned to eliminate duplicates Z: 16 13.828 1.927 0.623 0.442 0.933 0.467 CB 1.298 16 residues pruned to eliminate duplicates Z: 11 32.092 2.298 1.432 0.844 0.900 0.800 CB 1.501 11 residues pruned to eliminate duplicates Z: 34 42.884 2.314 1.075 0.493 0.879 0.485 CB 1.782 34 residues pruned to eliminate duplicates Z: 11 11.690 1.794 1.070 0.375 0.900 0.600 CA 1.264 Z: 29 34.474 2.164 1.187 0.458 0.929 0.536 CB 1.547 29 residues pruned to eliminate duplicates Z: 75 56.948 2.133 1.007 0.558 0.905 0.608 CB 1.614 75 residues pruned to eliminate duplicates Z: 12 42.878 2.190 1.515 0.919 1.000 0.545 CB 1.654 13 residues pruned to eliminate duplicates Z: 21 29.869 2.190 1.266 0.510 0.900 0.600 CB 1.481 21 residues pruned to eliminate duplicates Z: 17 40.078 2.281 0.902 0.840 1.000 0.688 CA 1.724 17 residues pruned to eliminate duplicates Z: 15 34.515 2.344 0.726 0.807 1.000 0.643 CB 1.745 15 residues pruned to eliminate duplicates Z: 14 38.402 2.285 1.273 0.893 0.923 0.846 CA 1.595 14 residues pruned to eliminate duplicates Z: 7 6.819 1.815 0.812 0.421 0.667 0.667 CB 1.379 Z: 81 71.774 2.243 1.186 0.566 0.913 0.663 CB 1.682 81 residues pruned to eliminate duplicates Z: 11 15.820 1.814 0.692 0.797 0.900 0.700 CB 1.397 11 residues pruned to eliminate duplicates Z: 135 73.166 2.227 1.054 0.500 0.881 0.545 CB 1.569 135 residues pruned to eliminate duplicates Z: 14 24.498 2.328 0.732 0.479 0.923 0.615 CB 1.864 14 residues pruned to eliminate duplicates Z: 16 42.191 2.252 1.229 0.919 0.933 0.933 CB 1.639 16 residues pruned to eliminate duplicates Z: 16 16.465 2.125 0.919 0.448 0.733 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 11 7.391 1.747 0.571 0.300 0.800 0.400 CB 1.330 11 residues pruned to eliminate duplicates Z: 11 19.050 2.244 0.786 0.400 1.000 0.700 CB 1.670 11 residues pruned to eliminate duplicates Z: 8 14.279 1.964 0.539 0.840 0.857 0.714 CA 1.554 8 residues pruned to eliminate duplicates Z: 38 23.437 2.151 0.782 0.366 0.811 0.378 CB 1.432 38 residues pruned to eliminate duplicates Z: 8 12.321 2.096 0.923 0.727 0.571 0.143 CB 1.647 8 residues pruned to eliminate duplicates Z: 18 19.589 2.105 0.719 0.476 1.000 0.647 CB 1.346 13 residues pruned to eliminate duplicates Z: 10 7.382 1.836 0.577 0.347 0.778 0.556 CB 1.290 Z: 23 36.249 2.267 1.346 0.564 0.864 0.591 CB 1.582 23 residues pruned to eliminate duplicates Z: 8 7.829 2.088 0.569 0.349 0.714 0.571 CB 1.490 8 residues pruned to eliminate duplicates Z: 14 34.002 2.150 1.357 0.860 0.846 0.769 CA 1.618 14 residues pruned to eliminate duplicates Z: 38 52.368 2.350 1.130 0.527 0.946 0.541 CA 1.771 38 residues pruned to eliminate duplicates Z: 11 26.052 1.962 1.137 0.857 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 8 6.711 1.863 0.497 0.437 0.714 0.429 N 1.359 8 residues pruned to eliminate duplicates Z: 7 5.320 1.700 0.352 0.709 0.833 0.167 CB 0.937 7 residues pruned to eliminate duplicates Z: 14 10.056 1.964 0.718 0.318 0.769 0.692 CB 1.313 21 residues pruned to eliminate duplicates Z: 20 29.456 2.198 1.155 0.490 0.895 0.579 CB 1.611 20 residues pruned to eliminate duplicates Z: 17 33.551 2.232 1.089 0.868 0.938 0.625 CB 1.403 17 residues pruned to eliminate duplicates Z: 6 9.467 1.725 0.642 0.809 0.800 0.600 CA 1.427 6 residues pruned to eliminate duplicates Z: 17 17.243 2.022 0.728 0.479 0.875 0.625 CA 1.441 17 residues pruned to eliminate duplicates Z: 8 6.446 1.784 0.826 0.464 0.857 0.714 CB 0.905 Z: 15 14.732 2.149 0.865 0.256 0.929 0.643 CB 1.399 15 residues pruned to eliminate duplicates Z: 15 15.557 2.204 0.547 0.394 0.786 0.571 CB 1.737 15 residues pruned to eliminate duplicates Z: 15 18.487 2.059 1.004 0.428 0.857 0.571 CB 1.505 15 residues pruned to eliminate duplicates Z: 12 5.716 1.815 -0.031 0.427 0.818 0.636 CB 1.291 Z: 25 17.735 2.125 0.694 0.312 0.833 0.583 CB 1.486 25 residues pruned to eliminate duplicates Z: 18 23.500 2.168 1.298 0.472 0.941 0.588 CB 1.251 18 residues pruned to eliminate duplicates Z: 17 23.520 2.061 0.919 0.550 0.875 0.500 CB 1.618 38 residues pruned to eliminate duplicates Z: 14 24.327 2.141 1.229 0.451 0.923 0.538 CA 1.611 14 residues pruned to eliminate duplicates Z: 30 36.876 2.005 1.172 0.560 0.966 0.621 CB 1.537 23 residues pruned to eliminate duplicates Z: 12 23.675 1.939 1.385 0.888 0.909 0.545 CB 1.224 12 residues pruned to eliminate duplicates Z: 28 26.161 2.122 0.906 0.435 0.889 0.481 CB 1.499 28 residues pruned to eliminate duplicates Z: 85 61.367 2.230 1.127 0.506 0.881 0.512 CB 1.593 85 residues pruned to eliminate duplicates Z: 13 4.906 1.868 0.137 0.224 0.667 0.250 CB 1.382 13 residues pruned to eliminate duplicates Z: 14 38.994 2.274 1.154 0.911 1.000 0.769 CA 1.564 15 residues pruned to eliminate duplicates Z: 88 76.062 2.283 1.322 0.519 0.931 0.609 CB 1.621 88 residues pruned to eliminate duplicates Z: 31 23.767 2.012 0.932 0.467 0.800 0.600 CB 1.444 26 residues pruned to eliminate duplicates Z: 16 30.400 2.237 0.895 0.829 0.867 0.800 CA 1.608 16 residues pruned to eliminate duplicates Z: 27 24.862 2.147 0.804 0.476 0.846 0.500 CB 1.523 27 residues pruned to eliminate duplicates Z: 16 32.063 2.105 1.028 0.842 1.000 0.667 CA 1.445 16 residues pruned to eliminate duplicates Z: 23 26.422 2.194 1.073 0.466 0.818 0.545 CA 1.568 23 residues pruned to eliminate duplicates Z: 18 35.645 2.089 1.079 0.880 0.941 0.529 CA 1.532 18 residues pruned to eliminate duplicates Z: 12 26.446 1.976 1.009 0.871 1.000 0.818 CA 1.465 12 residues pruned to eliminate duplicates Z: 6 4.937 1.911 0.531 0.750 1.000 1.000 CB 0.604 Z: 21 21.522 2.121 1.067 0.433 0.850 0.500 CB 1.385 21 residues pruned to eliminate duplicates Z: 6 5.026 1.620 1.150 0.512 1.000 0.600 CB 0.638 Z: 16 16.082 2.051 1.063 0.431 0.733 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 17 24.568 2.186 1.162 0.486 0.875 0.562 CB 1.506 17 residues pruned to eliminate duplicates Z: 18 11.665 2.009 0.792 0.412 0.765 0.588 CB 1.127 18 residues pruned to eliminate duplicates Z: 11 29.438 2.170 0.896 0.925 1.000 0.900 CA 1.588 11 residues pruned to eliminate duplicates Z: 16 13.129 2.052 1.110 0.322 0.800 0.333 CB 1.191 11 residues pruned to eliminate duplicates Z: 26 34.183 2.231 0.941 0.624 0.880 0.520 CB 1.596 26 residues pruned to eliminate duplicates Z: 15 20.621 1.878 1.094 0.760 0.929 0.571 CA 1.199 15 residues pruned to eliminate duplicates Z: 6 6.518 1.743 0.653 0.638 0.800 0.600 CB 1.111 6 residues pruned to eliminate duplicates Z: 12 26.627 1.961 1.240 0.827 1.000 0.636 CB 1.377 12 residues pruned to eliminate duplicates Z: 68 63.658 2.242 1.326 0.527 0.940 0.612 CB 1.545 70 residues pruned to eliminate duplicates Z: 14 26.066 1.964 1.031 0.770 1.000 0.692 CA 1.427 14 residues pruned to eliminate duplicates Z: 6 9.046 1.932 0.494 0.585 1.000 0.600 CB 1.291 6 residues pruned to eliminate duplicates Z: 12 8.026 1.735 0.557 0.318 0.818 0.364 CB 1.339 Z: 8 9.551 1.632 0.784 0.766 0.857 0.571 CA 1.143 8 residues pruned to eliminate duplicates 6 1.238 1.564 -0.188 0.473 0.800 0.600 CB 0.560 ? Z: 8 17.342 2.032 0.562 0.881 0.857 0.429 O 1.744 8 residues pruned to eliminate duplicates Z: 13 39.782 2.205 1.486 0.891 0.917 0.583 CB 1.644 13 residues pruned to eliminate duplicates Z: 17 19.272 2.102 1.296 0.483 0.812 0.625 CB 1.250 17 residues pruned to eliminate duplicates Z: 7 6.509 1.953 0.302 0.782 0.500 0.333 CA 1.631 7 residues pruned to eliminate duplicates Z: 17 15.018 2.105 0.721 0.281 0.812 0.500 CB 1.633 17 residues pruned to eliminate duplicates Z: 15 7.352 1.738 0.569 0.304 0.786 0.500 CB 1.141 15 residues pruned to eliminate duplicates Z: 10 15.152 1.997 0.957 0.791 0.889 0.667 CB 1.126 10 residues pruned to eliminate duplicates Z: 7 6.756 1.786 0.828 0.583 0.667 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 19 18.039 2.095 0.694 0.402 0.889 0.556 CB 1.494 18 residues pruned to eliminate duplicates Z: 9 12.011 1.761 0.649 0.771 0.875 0.500 CB 1.315 10 residues pruned to eliminate duplicates Z: 8 19.213 1.972 0.609 0.894 1.000 0.571 CA 1.643 8 residues pruned to eliminate duplicates Z: 93 63.328 2.170 1.060 0.558 0.913 0.522 CB 1.528 93 residues pruned to eliminate duplicates Z: 16 38.433 2.219 1.294 0.863 0.933 0.467 CB 1.533 16 residues pruned to eliminate duplicates Z: 18 18.504 2.067 0.972 0.520 0.824 0.471 CB 1.311 18 residues pruned to eliminate duplicates Z: 36 32.511 2.197 0.996 0.464 0.857 0.543 CB 1.516 59 residues pruned to eliminate duplicates Z: 13 34.263 2.133 1.387 0.866 1.000 0.500 CB 1.422 13 residues pruned to eliminate duplicates Z: 16 39.297 2.249 0.970 0.854 1.000 0.733 CA 1.691 16 residues pruned to eliminate duplicates Z: 12 8.715 1.690 0.880 0.549 0.636 0.455 CB 1.239 12 residues pruned to eliminate duplicates Z: 13 37.721 2.168 1.149 0.921 1.000 0.667 CB 1.645 13 residues pruned to eliminate duplicates Z: 12 12.319 2.081 0.501 0.403 0.818 0.545 CA 1.610 12 residues pruned to eliminate duplicates Z: 15 34.846 2.162 1.034 0.884 1.000 0.786 CB 1.530 15 residues pruned to eliminate duplicates Z: 22 30.203 2.105 1.191 0.664 0.905 0.381 CB 1.357 22 residues pruned to eliminate duplicates Z: 17 31.857 2.041 0.945 0.881 1.000 0.812 CB 1.453 17 residues pruned to eliminate duplicates Z: 23 7.925 1.721 0.654 0.271 0.636 0.409 CB 1.210 Z: 8 10.566 1.931 0.470 0.817 0.714 0.571 CB 1.495 8 residues pruned to eliminate duplicates Z: 14 13.090 2.133 0.601 0.390 0.846 0.538 CB 1.413 14 residues pruned to eliminate duplicates Z: 7 14.975 1.943 0.820 0.835 0.833 0.333 CA 1.554 7 residues pruned to eliminate duplicates Z: 11 23.747 2.095 0.545 0.914 1.000 1.000 CA 1.640 11 residues pruned to eliminate duplicates Z: 13 6.058 1.830 0.278 0.403 0.833 0.583 CB 0.993 Z: 11 25.713 2.011 1.303 0.859 1.000 0.600 CB 1.292 11 residues pruned to eliminate duplicates Z: 12 7.897 1.872 0.653 0.353 0.818 0.364 CB 1.102 12 residues pruned to eliminate duplicates Z: 9 5.082 1.750 0.313 0.470 0.750 0.750 CB 1.076 Z: 7 15.563 1.987 0.629 0.875 0.833 0.500 CA 1.713 7 residues pruned to eliminate duplicates Z: 17 25.083 2.012 1.012 0.566 0.875 0.375 CB 1.662 17 residues pruned to eliminate duplicates Z: 14 25.344 1.966 1.361 0.865 0.846 0.615 CB 1.311 14 residues pruned to eliminate duplicates Z: 8 7.420 1.876 0.620 0.304 0.857 0.429 CB 1.340 Z: 11 31.146 2.201 1.173 0.872 1.000 0.800 CA 1.500 12 residues pruned to eliminate duplicates Z: 10 8.899 1.891 0.697 0.284 0.778 0.778 CB 1.515 10 residues pruned to eliminate duplicates Z: 42 47.949 2.312 1.063 0.487 0.951 0.659 CB 1.672 43 residues pruned to eliminate duplicates 6 1.371 1.734 0.275 0.428 0.600 0.600 CB 0.498 ? Z: 82 58.245 2.211 1.134 0.521 0.877 0.457 CB 1.532 82 residues pruned to eliminate duplicates Z: 11 22.613 2.369 1.016 0.725 0.700 0.500 CB 1.747 11 residues pruned to eliminate duplicates Z: 15 29.821 2.301 0.619 0.847 1.000 0.857 CA 1.589 15 residues pruned to eliminate duplicates Z: 8 3.683 1.689 0.505 0.211 0.714 0.429 N 1.078 Z: 21 10.865 1.968 0.838 0.400 0.550 0.400 CB 1.356 21 residues pruned to eliminate duplicates Z: 13 10.294 1.779 0.906 0.405 0.750 0.583 CB 1.292 13 residues pruned to eliminate duplicates Z: 15 28.966 2.124 0.943 0.762 0.929 0.643 CB 1.602 15 residues pruned to eliminate duplicates Z: 13 34.373 2.194 0.923 0.927 1.000 0.750 CB 1.649 13 residues pruned to eliminate duplicates Z: 11 11.662 1.797 1.079 0.400 0.800 0.500 O 1.371 11 residues pruned to eliminate duplicates Z: 37 44.886 2.273 1.308 0.493 0.917 0.472 CB 1.566 46 residues pruned to eliminate duplicates Z: 12 4.621 1.623 0.488 0.119 0.818 0.273 CB 1.139 Z: 10 14.798 2.124 1.082 0.665 0.778 0.222 CA 1.231 10 residues pruned to eliminate duplicates Z: 7 10.750 1.964 0.806 0.656 1.000 0.667 N 1.070 7 residues pruned to eliminate duplicates Z: 19 13.531 1.987 0.710 0.352 0.778 0.389 CB 1.416 19 residues pruned to eliminate duplicates Z: 83 61.260 2.219 1.163 0.493 0.866 0.573 CB 1.640 83 residues pruned to eliminate duplicates Z: 6 4.081 1.726 0.839 0.290 0.600 0.600 CB 1.212 Z: 8 16.950 2.024 1.337 0.797 0.857 0.857 N 1.219 8 residues pruned to eliminate duplicates Z: 15 28.331 2.150 1.318 0.785 0.857 0.714 CB 1.379 15 residues pruned to eliminate duplicates Z: 7 7.912 1.918 0.933 0.488 0.833 0.667 CB 1.058 Z: 12 26.869 2.231 1.025 0.813 0.909 0.545 CB 1.502 12 residues pruned to eliminate duplicates Z: 17 18.665 2.158 0.967 0.471 0.875 0.562 CB 1.294 Z: 6 17.832 2.134 1.766 0.722 0.800 0.600 CB 1.382 6 residues pruned to eliminate duplicates Z: 21 36.329 2.206 1.032 0.731 0.900 0.750 CA 1.636 21 residues pruned to eliminate duplicates Z: 29 34.479 2.259 1.066 0.509 0.893 0.571 CB 1.551 29 residues pruned to eliminate duplicates Z: 15 10.844 1.874 0.744 0.328 0.714 0.357 CB 1.499 23 residues pruned to eliminate duplicates Z: 17 13.444 2.081 0.744 0.395 0.750 0.500 CB 1.379 17 residues pruned to eliminate duplicates Z: 33 26.366 2.132 0.944 0.381 0.875 0.469 CB 1.459 44 residues pruned to eliminate duplicates Z: 9 8.730 1.945 0.417 0.512 0.875 0.875 CB 1.265 8 residues pruned to eliminate duplicates Z: 7 3.787 1.818 0.605 0.461 0.667 0.667 CB 0.827 Z: 50 54.995 2.318 1.242 0.522 0.898 0.510 CB 1.648 50 residues pruned to eliminate duplicates Z: 32 19.578 2.098 0.906 0.351 0.742 0.355 CB 1.393 47 residues pruned to eliminate duplicates Z: 7 5.271 1.827 0.732 0.304 0.667 0.333 CB 1.268 Z: 6 12.118 2.197 0.906 0.660 0.800 0.800 CB 1.394 Z: 6 8.397 1.972 0.182 0.703 0.800 0.400 CA 1.674 6 residues pruned to eliminate duplicates Z: 58 48.147 2.281 1.029 0.510 0.860 0.614 CB 1.587 55 residues pruned to eliminate duplicates Z: 31 45.658 2.267 1.278 0.590 0.967 0.633 CB 1.532 31 residues pruned to eliminate duplicates Z: 11 15.743 1.999 0.825 0.491 0.900 0.700 CA 1.530 11 residues pruned to eliminate duplicates Z: 16 9.159 2.000 0.419 0.417 0.667 0.267 CB 1.364 16 residues pruned to eliminate duplicates Z: 62 57.757 2.240 1.335 0.500 0.885 0.508 CB 1.597 62 residues pruned to eliminate duplicates Z: 15 20.072 2.147 0.732 0.484 0.929 0.714 CB 1.580 Z: 14 10.381 1.972 0.801 0.443 0.615 0.462 CB 1.397 14 residues pruned to eliminate duplicates Z: 8 9.421 1.850 1.251 0.546 0.714 0.429 CB 1.145 Z: 9 18.356 1.717 1.105 0.778 1.000 0.875 CB 1.405 8 residues pruned to eliminate duplicates Z: 9 9.974 1.857 0.740 0.846 0.625 0.500 CB 1.297 9 residues pruned to eliminate duplicates Z: 20 14.411 2.031 0.553 0.355 0.842 0.526 CB 1.456 20 residues pruned to eliminate duplicates Z: 18 10.752 1.890 0.344 0.382 0.824 0.412 CB 1.414 18 residues pruned to eliminate duplicates Z: 14 10.827 1.728 0.864 0.433 0.923 0.538 CB 1.082 Z: 6 9.776 1.682 0.459 0.791 1.000 1.000 N 1.380 6 residues pruned to eliminate duplicates Z: 7 10.432 2.026 0.139 0.832 1.000 0.833 CA 1.384 7 residues pruned to eliminate duplicates Z: 14 34.090 2.264 0.871 0.875 1.000 0.769 CB 1.624 14 residues pruned to eliminate duplicates Z: 87 65.733 2.267 1.093 0.528 0.884 0.523 CB 1.644 104 residues pruned to eliminate duplicates Z: 39 39.319 2.159 1.084 0.464 0.868 0.500 CB 1.693 39 residues pruned to eliminate duplicates Z: 16 40.054 2.311 1.003 0.861 1.000 0.867 CB 1.641 16 residues pruned to eliminate duplicates Z: 9 3.651 1.334 0.276 0.314 1.000 0.625 CB 0.932 Z: 6 5.462 1.967 0.476 0.400 1.000 0.600 CB 0.935 Z: 9 11.960 2.014 1.175 0.489 0.875 0.250 CB 1.115 Z: 13 10.560 1.923 0.860 0.339 0.667 0.417 CB 1.525 13 residues pruned to eliminate duplicates Z: 9 4.169 1.896 -0.148 0.516 0.875 0.375 CB 1.027 Z: 20 17.656 1.953 0.846 0.478 0.789 0.474 CB 1.454 20 residues pruned to eliminate duplicates Z: 8 2.797 1.777 -0.028 0.320 1.000 0.571 CB 0.747 8 residues pruned to eliminate duplicates Z: 12 28.763 2.026 1.098 0.880 1.000 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 6 7.389 1.658 0.677 0.631 0.800 0.600 CB 1.314 Z: 15 10.514 1.836 0.706 0.458 0.786 0.571 CB 1.192 Z: 62 37.322 2.135 0.934 0.490 0.820 0.525 CB 1.426 61 residues pruned to eliminate duplicates Z: 7 7.315 1.900 0.703 0.238 0.833 0.333 CB 1.501 7 residues pruned to eliminate duplicates Z: 23 28.514 2.155 0.963 0.465 0.955 0.591 CA 1.561 23 residues pruned to eliminate duplicates Z: 6 2.205 1.666 -0.462 0.640 1.000 0.800 CB 0.965 Z: 10 4.546 1.834 0.047 0.438 0.778 0.667 CB 1.082 Z: 20 17.119 1.980 0.784 0.350 1.000 0.579 CB 1.308 15 residues pruned to eliminate duplicates Z: 6 8.333 1.392 1.131 0.803 1.000 0.800 CB 0.964 Z: 15 32.983 2.154 1.149 0.916 0.929 0.714 CB 1.448 15 residues pruned to eliminate duplicates Z: 12 27.005 1.961 1.301 0.867 1.000 0.545 CB 1.320 11 residues pruned to eliminate duplicates Z: 17 15.368 2.143 0.810 0.385 0.875 0.562 CB 1.279 25 residues pruned to eliminate duplicates Z: 7 3.612 1.797 0.460 0.293 0.667 0.333 CB 1.063 7 residues pruned to eliminate duplicates Z: 20 25.430 1.998 1.191 0.539 0.895 0.526 CB 1.434 20 residues pruned to eliminate duplicates Z: 58 59.160 2.308 1.146 0.536 0.912 0.614 CB 1.674 58 residues pruned to eliminate duplicates Z: 8 22.437 2.035 0.788 0.895 1.000 0.429 CA 1.671 8 residues pruned to eliminate duplicates Z: 28 33.624 2.217 1.102 0.534 0.926 0.630 CB 1.450 28 residues pruned to eliminate duplicates Z: 63 45.709 2.147 1.008 0.541 0.839 0.565 CB 1.542 63 residues pruned to eliminate duplicates Z: 14 28.781 2.076 0.728 0.940 1.000 1.000 CA 1.545 14 residues pruned to eliminate duplicates Z: 8 4.727 1.464 0.355 0.442 0.857 0.571 N 1.115 Z: 9 14.509 1.843 0.905 0.906 0.750 0.375 CB 1.385 9 residues pruned to eliminate duplicates Z: 6 7.827 2.009 -0.153 0.812 1.000 0.800 CB 1.569 6 residues pruned to eliminate duplicates Z: 9 9.794 2.069 0.333 0.551 0.750 0.625 CB 1.593 9 residues pruned to eliminate duplicates Z: 12 30.548 2.279 0.928 0.896 1.000 0.909 CA 1.502 12 residues pruned to eliminate duplicates Z: 6 2.859 1.652 0.707 0.348 0.800 0.400 CB 0.668 Z: 8 18.409 2.006 0.704 0.904 0.857 0.571 CB 1.692 8 residues pruned to eliminate duplicates Z: 12 16.949 1.976 0.809 0.496 0.909 0.727 CA 1.578 12 residues pruned to eliminate duplicates Z: 11 29.193 2.172 0.867 0.921 1.000 1.000 CB 1.602 11 residues pruned to eliminate duplicates Z: 10 7.714 1.910 0.467 0.469 0.778 0.667 CB 1.217 10 residues pruned to eliminate duplicates Z: 6 3.132 1.705 0.229 0.291 0.800 0.800 CB 1.056 Z: 8 7.775 1.694 0.646 0.796 0.714 0.286 CB 1.138 8 residues pruned to eliminate duplicates Z: 38 55.239 2.353 1.243 0.563 0.946 0.622 CB 1.712 38 residues pruned to eliminate duplicates Z: 9 5.583 1.825 0.443 0.393 0.625 0.250 CB 1.344 Z: 51 48.628 2.278 0.949 0.534 0.900 0.660 CB 1.664 55 residues pruned to eliminate duplicates Z: 9 14.083 1.897 0.841 0.841 0.750 0.375 CB 1.417 9 residues pruned to eliminate duplicates Z: 7 12.767 1.632 0.755 0.836 1.000 0.833 CA 1.362 7 residues pruned to eliminate duplicates Z: 27 30.981 2.126 1.066 0.453 0.885 0.346 CB 1.640 27 residues pruned to eliminate duplicates Z: 11 15.776 1.953 0.687 0.528 1.000 0.600 CB 1.474 11 residues pruned to eliminate duplicates Z: 20 18.269 2.157 0.585 0.399 0.895 0.474 CA 1.523 20 residues pruned to eliminate duplicates Z: 15 27.742 2.138 0.947 0.851 0.929 0.786 CB 1.419 15 residues pruned to eliminate duplicates Z: 27 16.512 1.874 0.821 0.415 0.731 0.538 CB 1.419 27 residues pruned to eliminate duplicates Z: 12 24.730 1.921 1.125 0.805 1.000 0.818 CA 1.399 12 residues pruned to eliminate duplicates Z: 14 13.486 2.125 0.550 0.421 0.923 0.692 CB 1.337 15 residues pruned to eliminate duplicates Z: 7 16.470 2.313 1.422 0.661 0.667 0.500 CA 1.551 7 residues pruned to eliminate duplicates Z: 7 4.376 1.630 0.463 0.381 0.667 0.500 CB 1.275 Z: 10 5.341 1.757 0.277 0.287 0.667 0.444 CB 1.514 10 residues pruned to eliminate duplicates Z: 10 15.847 2.005 1.055 0.572 0.778 0.444 CA 1.538 10 residues pruned to eliminate duplicates Z: 10 16.367 2.049 1.475 0.440 0.778 0.778 CB 1.472 17 residues pruned to eliminate duplicates Z: 26 36.088 2.178 1.016 0.614 0.960 0.840 CB 1.537 26 residues pruned to eliminate duplicates Z: 16 35.223 2.088 1.234 0.900 1.000 0.800 CB 1.393 16 residues pruned to eliminate duplicates Z: 47 50.068 2.367 1.042 0.530 0.848 0.522 CB 1.747 47 residues pruned to eliminate duplicates Z: 22 13.768 2.158 0.841 0.296 0.762 0.476 CB 1.248 22 residues pruned to eliminate duplicates Z: 13 19.348 2.056 0.705 0.817 0.833 0.583 CB 1.452 13 residues pruned to eliminate duplicates Z: 7 13.090 1.776 1.287 0.658 0.833 0.667 N 1.363 7 residues pruned to eliminate duplicates Z: 49 52.126 2.281 1.122 0.540 0.896 0.583 CB 1.668 49 residues pruned to eliminate duplicates Z: 18 5.280 1.855 0.321 0.285 0.824 0.588 CB 0.808 Z: 16 21.290 1.789 0.904 0.826 1.000 0.733 CA 1.218 11 residues pruned to eliminate duplicates Z: 19 30.656 2.254 1.160 0.570 0.778 0.389 CB 1.782 19 residues pruned to eliminate duplicates Z: 7 9.797 1.754 0.994 0.650 0.833 0.833 CB 1.193 Z: 13 30.559 2.111 1.424 0.856 0.833 0.667 CA 1.526 13 residues pruned to eliminate duplicates Z: 19 17.166 2.179 0.750 0.474 0.889 0.556 CB 1.225 18 residues pruned to eliminate duplicates Z: 20 15.440 2.047 0.635 0.486 0.947 0.579 CB 1.132 20 residues pruned to eliminate duplicates Z: 9 2.541 1.440 0.647 0.185 0.625 0.375 CB 0.885 Z: 6 3.034 1.483 -0.088 0.821 1.000 0.800 CB 0.759 6 residues pruned to eliminate duplicates Z: 18 18.572 2.006 0.730 0.488 0.824 0.471 CB 1.596 18 residues pruned to eliminate duplicates Z: 11 5.321 1.672 0.283 0.450 0.700 0.600 CB 1.179 Z: 15 32.404 2.195 1.376 0.764 0.857 0.500 CB 1.533 15 residues pruned to eliminate duplicates Z: 11 17.920 2.175 0.630 0.626 0.800 0.600 CB 1.775 11 residues pruned to eliminate duplicates Z: 12 26.696 1.991 1.043 0.907 1.000 0.909 CA 1.407 12 residues pruned to eliminate duplicates Z: 24 21.929 2.134 0.819 0.436 0.783 0.478 CB 1.608 24 residues pruned to eliminate duplicates Z: 8 18.063 1.991 0.712 0.900 0.857 0.714 CB 1.668 8 residues pruned to eliminate duplicates Z: 18 31.697 2.179 1.316 0.537 0.882 0.588 CB 1.665 18 residues pruned to eliminate duplicates Z: 12 35.622 2.298 0.975 0.902 1.000 0.818 CB 1.687 12 residues pruned to eliminate duplicates Z: 22 15.345 1.822 0.702 0.371 0.810 0.429 CB 1.532 22 residues pruned to eliminate duplicates Z: 51 43.451 2.079 1.102 0.519 0.940 0.600 CB 1.468 51 residues pruned to eliminate duplicates Z: 27 13.716 1.983 0.709 0.257 0.731 0.308 CB 1.435 27 residues pruned to eliminate duplicates Z: 8 16.334 1.939 1.121 0.634 1.000 0.571 CB 1.323 Z: 12 17.949 2.008 0.764 0.808 0.818 0.364 CB 1.427 12 residues pruned to eliminate duplicates Z: 14 15.033 1.999 0.969 0.445 0.846 0.538 CB 1.325 20 residues pruned to eliminate duplicates Z: 14 24.866 1.838 0.900 0.897 0.923 0.692 CA 1.531 14 residues pruned to eliminate duplicates Z: 47 33.029 2.177 1.084 0.466 0.826 0.587 CB 1.345 47 residues pruned to eliminate duplicates Z: 19 19.793 2.231 1.073 0.444 0.833 0.556 CB 1.281 19 residues pruned to eliminate duplicates Z: 15 14.951 1.875 0.919 0.499 0.857 0.643 CB 1.297 15 residues pruned to eliminate duplicates Z: 6 7.789 1.728 0.418 0.661 1.000 1.000 CB 1.226 Z: 35 21.517 2.171 0.891 0.307 0.765 0.500 CB 1.456 35 residues pruned to eliminate duplicates Z: 24 30.693 2.095 0.966 0.654 0.913 0.696 CB 1.475 24 residues pruned to eliminate duplicates Z: 14 36.318 2.207 1.260 0.921 0.923 0.462 CA 1.539 14 residues pruned to eliminate duplicates Z: 7 9.054 1.747 1.309 0.499 0.833 0.833 CB 1.101 Z: 13 14.139 1.980 0.815 0.381 0.917 0.833 CB 1.407 13 residues pruned to eliminate duplicates Z: 7 6.075 1.729 0.544 0.524 0.833 0.667 N 1.088 Z: 39 31.467 2.132 1.133 0.430 0.895 0.553 CB 1.349 39 residues pruned to eliminate duplicates Z: 6 2.230 1.737 -0.044 0.580 0.600 0.400 CB 0.926 Z: 21 20.512 1.856 0.748 0.527 0.950 0.600 CB 1.450 21 residues pruned to eliminate duplicates Z: 13 17.063 2.089 0.875 0.389 0.917 0.583 CB 1.543 13 residues pruned to eliminate duplicates Z: 14 17.163 2.165 0.792 0.449 0.769 0.615 CB 1.681 14 residues pruned to eliminate duplicates Z: 8 11.769 2.114 1.280 0.436 0.571 0.286 CB 1.726 8 residues pruned to eliminate duplicates Z: 8 6.167 1.765 0.576 0.706 0.571 0.286 CB 1.216 8 residues pruned to eliminate duplicates Z: 78 54.423 2.246 1.100 0.473 0.883 0.558 CB 1.531 78 residues pruned to eliminate duplicates Z: 16 43.367 2.353 1.205 0.792 0.933 0.667 CA 1.790 16 residues pruned to eliminate duplicates Z: 6 3.015 1.823 0.034 0.247 1.000 0.600 CB 0.958 Z: 11 13.855 1.709 0.815 0.733 0.900 0.400 CB 1.273 11 residues pruned to eliminate duplicates Z: 6 3.410 1.831 0.555 0.100 0.800 0.200 CB 1.116 Z: 9 3.258 1.354 0.047 0.550 0.875 0.375 CB 0.885 Z: 10 13.491 1.775 0.888 0.698 0.778 0.556 O 1.441 10 residues pruned to eliminate duplicates Z: 75 63.613 2.297 1.162 0.487 0.919 0.608 CB 1.642 75 residues pruned to eliminate duplicates Z: 8 6.468 1.737 0.267 0.602 0.714 0.429 N 1.411 Z: 22 22.709 2.091 1.186 0.562 0.857 0.524 CB 1.191 22 residues pruned to eliminate duplicates Z: 16 9.261 1.812 0.287 0.447 0.800 0.400 N 1.354 Z: 11 10.190 1.930 0.951 0.331 0.700 0.300 CB 1.470 11 residues pruned to eliminate duplicates Z: 9 18.179 1.751 0.797 0.867 1.000 0.625 O 1.494 9 residues pruned to eliminate duplicates Z: 8 3.930 1.568 1.174 0.230 0.857 0.286 CB 0.696 Z: 16 55.790 2.305 1.670 0.934 1.000 0.600 CB 1.633 16 residues pruned to eliminate duplicates Z: 17 20.727 2.110 0.991 0.451 0.938 0.375 CB 1.384 17 residues pruned to eliminate duplicates Z: 7 3.632 1.704 0.321 0.243 0.667 0.333 C 1.330 7 residues pruned to eliminate duplicates 6 1.772 1.836 0.022 0.100 0.800 0.600 CB 0.879 ? Z: 9 17.849 2.094 0.899 0.769 1.000 0.750 CA 1.251 9 residues pruned to eliminate duplicates Z: 68 33.942 2.075 0.807 0.433 0.806 0.507 CB 1.470 68 residues pruned to eliminate duplicates Z: 10 10.543 1.735 0.440 0.770 0.889 0.778 CB 1.246 10 residues pruned to eliminate duplicates Z: 7 4.837 1.853 0.359 0.414 0.667 0.667 CB 1.288 Z: 12 21.415 2.234 1.206 0.700 0.818 0.545 CA 1.334 12 residues pruned to eliminate duplicates Z: 21 15.685 2.063 0.735 0.319 0.950 0.500 CB 1.260 21 residues pruned to eliminate duplicates Z: 81 75.277 2.265 1.260 0.567 0.925 0.575 CB 1.666 81 residues pruned to eliminate duplicates Z: 23 22.561 2.096 0.967 0.561 0.909 0.591 CB 1.209 23 residues pruned to eliminate duplicates Z: 20 28.170 2.220 1.150 0.485 0.842 0.684 CB 1.633 20 residues pruned to eliminate duplicates Z: 27 18.577 2.032 0.769 0.329 0.846 0.423 CB 1.446 27 residues pruned to eliminate duplicates Z: 6 3.748 1.703 0.743 0.432 0.800 0.600 CB 0.757 Z: 62 25.540 1.967 0.774 0.374 0.770 0.426 CB 1.392 55 residues pruned to eliminate duplicates Z: 57 44.362 2.170 0.964 0.516 0.857 0.554 CB 1.598 57 residues pruned to eliminate duplicates Z: 6 9.600 1.811 0.684 0.836 1.000 0.800 CB 1.054 Z: 9 3.844 1.817 0.120 0.242 0.750 0.625 CA 1.200 9 residues pruned to eliminate duplicates Z: 21 30.466 2.176 1.120 0.691 0.850 0.600 CB 1.459 21 residues pruned to eliminate duplicates Z: 11 17.461 2.071 0.757 0.482 0.900 0.700 CA 1.717 11 residues pruned to eliminate duplicates Z: 8 2.992 1.582 0.242 0.544 0.714 0.429 CB 0.771 Z: 9 5.458 1.721 0.731 0.405 0.750 0.500 CB 0.954 9 residues pruned to eliminate duplicates Z: 60 64.746 2.326 1.132 0.552 0.949 0.576 CB 1.702 60 residues pruned to eliminate duplicates Z: 27 39.206 2.259 0.929 0.562 0.962 0.769 CA 1.728 27 residues pruned to eliminate duplicates Z: 83 62.988 2.170 1.178 0.543 0.915 0.524 CB 1.543 83 residues pruned to eliminate duplicates Z: 84 71.086 2.201 1.177 0.596 0.940 0.614 CB 1.581 84 residues pruned to eliminate duplicates Z: 20 22.681 2.037 0.725 0.532 0.947 0.737 CA 1.514 20 residues pruned to eliminate duplicates Z: 41 36.819 2.156 1.216 0.523 0.800 0.650 CB 1.489 41 residues pruned to eliminate duplicates Z: 9 3.737 1.499 0.509 0.367 0.625 0.500 CB 1.077 Z: 16 35.306 2.158 0.881 0.894 1.000 0.867 CB 1.612 16 residues pruned to eliminate duplicates Z: 8 6.685 1.884 0.756 0.210 0.857 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 16 10.195 1.813 0.631 0.432 0.933 0.467 CB 1.023 9 residues pruned to eliminate duplicates Z: 7 11.744 1.808 0.848 0.609 1.000 0.833 CB 1.294 Z: 9 3.647 1.528 0.341 0.323 0.750 0.375 CB 1.020 Z: 8 20.120 2.282 1.519 0.753 0.714 0.571 CA 1.478 8 residues pruned to eliminate duplicates Z: 9 8.093 1.838 0.710 0.587 0.875 0.500 CB 0.958 8 residues pruned to eliminate duplicates Z: 32 14.686 1.959 0.574 0.265 0.806 0.387 CB 1.387 32 residues pruned to eliminate duplicates Z: 19 23.458 2.170 0.771 0.460 0.944 0.611 CA 1.586 19 residues pruned to eliminate duplicates Z: 7 4.881 1.874 -0.085 0.651 1.000 0.667 CB 1.010 Z: 15 35.136 2.243 0.911 0.889 1.000 0.857 CA 1.577 15 residues pruned to eliminate duplicates Z: 52 65.007 2.316 1.333 0.553 0.961 0.431 CB 1.665 52 residues pruned to eliminate duplicates Z: 17 10.914 1.830 0.510 0.560 0.812 0.688 CB 1.147 17 residues pruned to eliminate duplicates Z: 7 2.560 1.380 0.711 0.333 0.833 0.333 CB 0.638 Z: 20 11.051 1.914 0.740 0.380 0.579 0.368 CB 1.494 20 residues pruned to eliminate duplicates Z: 8 3.769 1.454 1.137 0.261 0.571 0.429 O 1.054 Z: 18 7.070 1.790 0.595 0.221 0.824 0.412 CB 1.011 Z: 32 37.250 2.309 1.010 0.502 0.903 0.484 CB 1.594 32 residues pruned to eliminate duplicates Z: 6 3.372 1.471 0.550 0.617 0.800 0.600 CB 0.740 Z: 10 9.275 2.071 0.395 0.246 0.889 0.444 N 1.613 10 residues pruned to eliminate duplicates Z: 18 6.976 1.848 0.539 0.330 0.647 0.353 CB 1.108 14 residues pruned to eliminate duplicates Z: 36 35.660 2.151 1.025 0.551 0.857 0.571 CB 1.536 36 residues pruned to eliminate duplicates Z: 90 76.009 2.193 1.234 0.567 0.921 0.607 CB 1.674 106 residues pruned to eliminate duplicates Z: 35 29.488 2.150 0.945 0.411 0.824 0.500 CB 1.611 35 residues pruned to eliminate duplicates Z: 12 7.241 1.661 0.415 0.383 0.909 0.455 CB 1.157 Z: 14 17.407 1.809 0.818 0.535 0.923 0.462 CA 1.537 14 residues pruned to eliminate duplicates Z: 11 30.423 2.187 1.263 0.892 1.000 0.200 CB 1.396 11 residues pruned to eliminate duplicates Z: 16 27.581 2.200 0.662 0.907 1.000 0.800 CA 1.384 16 residues pruned to eliminate duplicates 6 1.536 1.592 0.415 0.487 0.800 0.400 CB 0.386 ? Z: 16 8.747 1.849 0.400 0.306 0.800 0.467 CA 1.354 16 residues pruned to eliminate duplicates Z: 14 37.143 2.111 1.347 0.919 1.000 0.692 CA 1.465 14 residues pruned to eliminate duplicates Z: 16 10.914 1.765 0.707 0.342 0.800 0.400 CB 1.389 Z: 11 7.858 1.947 0.288 0.483 0.800 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 28 30.049 2.007 0.783 0.657 0.926 0.741 CA 1.508 28 residues pruned to eliminate duplicates Z: 8 2.058 1.839 0.182 0.274 0.571 0.429 CB 0.810 Z: 7 10.675 1.766 1.054 0.497 1.000 0.333 CB 1.205 7 residues pruned to eliminate duplicates Z: 10 4.198 1.615 0.996 0.271 0.444 0.333 O 1.267 Z: 8 10.414 1.702 0.749 0.839 0.857 0.857 CA 1.152 8 residues pruned to eliminate duplicates Z: 12 3.151 1.843 -0.025 0.455 0.818 0.636 CB 0.676 17 residues pruned to eliminate duplicates Z: 6 2.085 1.364 0.017 0.285 0.800 0.200 CB 1.071 Z: 11 31.881 2.282 0.965 0.936 1.000 1.000 CA 1.566 11 residues pruned to eliminate duplicates Z: 8 13.985 2.098 0.952 0.350 1.000 0.429 CA 1.518 6 residues pruned to eliminate duplicates Z: 19 8.677 1.846 0.603 0.310 0.778 0.500 CA 1.097 18 residues pruned to eliminate duplicates Z: 83 49.166 2.181 1.004 0.453 0.829 0.512 CB 1.572 83 residues pruned to eliminate duplicates Z: 44 43.541 2.277 1.032 0.466 0.907 0.651 CB 1.639 44 residues pruned to eliminate duplicates Z: 6 3.176 1.350 0.297 0.692 0.600 0.600 CA 1.134 Z: 6 2.821 1.513 0.366 0.475 0.800 0.600 N 0.783 Z: 15 20.759 1.923 0.940 0.863 0.929 0.429 CB 1.175 15 residues pruned to eliminate duplicates Z: 7 8.792 1.829 0.526 0.566 0.833 0.667 O 1.447 Z: 6 3.209 1.738 -0.002 0.564 0.800 0.600 CB 0.972 Z: 10 4.288 1.664 0.487 0.378 0.778 0.667 CB 0.846 9 residues pruned to eliminate duplicates Z: 29 32.022 2.167 0.971 0.527 0.929 0.500 CB 1.485 32 residues pruned to eliminate duplicates Z: 28 12.883 2.029 0.559 0.324 0.741 0.593 CB 1.285 28 residues pruned to eliminate duplicates Z: 69 63.562 2.262 1.300 0.513 0.941 0.574 CB 1.554 69 residues pruned to eliminate duplicates Z: 11 5.580 1.675 0.286 0.485 0.800 0.800 CB 1.040 Z: 36 29.870 2.071 1.354 0.463 0.829 0.543 CB 1.298 36 residues pruned to eliminate duplicates Z: 31 33.247 2.147 1.107 0.609 0.867 0.733 CB 1.396 31 residues pruned to eliminate duplicates Z: 16 16.764 2.099 0.754 0.411 0.867 0.533 CB 1.488 16 residues pruned to eliminate duplicates Z: 10 28.232 2.176 1.010 0.816 0.889 0.556 CA 1.839 10 residues pruned to eliminate duplicates Z: 8 4.002 1.820 -0.143 0.624 1.000 0.429 CB 0.862 8 residues pruned to eliminate duplicates Z: 23 22.249 2.082 1.054 0.365 0.909 0.545 CB 1.411 23 residues pruned to eliminate duplicates Z: 10 17.866 1.813 0.718 0.832 1.000 0.667 CB 1.436 10 residues pruned to eliminate duplicates Z: 16 29.750 2.211 0.866 0.830 0.933 0.867 CA 1.500 16 residues pruned to eliminate duplicates Z: 51 38.653 2.206 0.780 0.510 0.860 0.480 CB 1.602 50 residues pruned to eliminate duplicates Z: 6 4.684 1.500 0.661 0.766 0.800 0.400 CB 0.830 Z: 17 27.919 2.138 0.709 0.864 0.938 0.562 CA 1.494 17 residues pruned to eliminate duplicates Z: 41 40.497 2.145 1.083 0.516 0.875 0.600 CB 1.612 41 residues pruned to eliminate duplicates Z: 8 8.244 1.887 1.044 0.360 0.857 0.571 CB 1.096 8 residues pruned to eliminate duplicates Z: 12 4.783 1.622 0.770 0.285 0.727 0.455 CB 0.880 792 residues left after pruning, divided into chains as follows: A: 27 B: 27 C: 11 D: 156 E: 141 F: 12 G: 10 H: 21 I: 111 J: 12 K: 19 L: 208 M: 37 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.21 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.775, Connect. = 0.742 for dens.mod. cycle 1 = 0.300, Contrast = 0.912, Connect. = 0.776 for dens.mod. cycle 2 = 0.300, Contrast = 1.099, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 1.137, Connect. = 0.801 for dens.mod. cycle 4 = 0.300, Contrast = 1.164, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 1.173, Connect. = 0.804 for dens.mod. cycle 6 = 0.300, Contrast = 1.180, Connect. = 0.805 for dens.mod. cycle 7 = 0.300, Contrast = 1.182, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 1.181, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 1.178, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4965 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1035 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 49.104 2.466 0.961 0.879 1.000 0.750 CA 1.840 B: 16 52.002 2.615 1.155 0.892 0.933 0.533 CA 1.834 17 residues pruned to eliminate duplicates C: 16 50.250 2.616 0.842 0.866 1.000 0.800 CA 1.972 16 residues pruned to eliminate duplicates D: 21 24.799 2.239 1.020 0.447 0.850 0.300 CB 1.523 E: 17 45.562 2.459 1.038 0.861 1.000 0.875 CA 1.669 16 residues pruned to eliminate duplicates F: 17 46.051 2.447 0.965 0.824 0.938 0.688 CB 1.929 18 residues pruned to eliminate duplicates G: 17 43.233 2.355 1.321 0.883 0.938 0.625 CB 1.525 H: 17 39.908 2.412 1.116 0.843 0.812 0.625 CA 1.792 16 residues pruned to eliminate duplicates I: 17 49.022 2.472 0.894 0.869 1.000 0.875 CA 1.912 17 residues pruned to eliminate duplicates J: 17 44.060 2.367 1.237 0.925 0.938 0.812 CB 1.558 17 residues pruned to eliminate duplicates K: 14 25.167 2.170 1.250 0.747 0.769 0.615 CA 1.489 L: 17 36.284 2.348 0.866 0.863 1.000 0.438 CB 1.520 17 residues pruned to eliminate duplicates M: 17 46.721 2.524 0.979 0.821 0.938 0.750 CA 1.889 17 residues pruned to eliminate duplicates N: 12 61.097 2.514 1.600 0.925 1.000 0.818 CB 1.979 O: 16 40.770 2.338 0.830 0.899 1.000 0.800 CA 1.759 P: 11 18.922 2.166 0.857 0.685 0.800 0.300 CA 1.570 Q: 17 41.126 2.347 1.131 0.882 1.000 0.875 CB 1.488 17 residues pruned to eliminate duplicates R: 12 42.467 2.428 1.518 0.901 0.909 0.818 CA 1.645 12 residues pruned to eliminate duplicates S: 16 45.428 2.417 1.199 0.872 1.000 0.733 CB 1.608 16 residues pruned to eliminate duplicates T: 13 40.918 2.296 1.175 0.910 1.000 0.833 CA 1.677 21 residues pruned to eliminate duplicates U: 12 28.811 2.434 0.647 0.900 0.909 0.909 CA 1.703 12 residues pruned to eliminate duplicates V: 16 41.000 2.371 0.905 0.917 1.000 0.800 CB 1.654 W: 17 44.721 2.384 1.041 0.914 1.000 0.750 CB 1.625 17 residues pruned to eliminate duplicates X: 11 27.004 2.536 1.304 0.644 0.800 0.400 CB 1.597 11 residues pruned to eliminate duplicates Y: 16 38.690 2.192 1.323 0.880 1.000 0.667 CB 1.421 16 residues pruned to eliminate duplicates Z: 16 55.250 2.599 1.067 0.834 0.933 0.333 CB 2.132 17 residues pruned to eliminate duplicates Z: 12 48.467 2.409 1.450 0.906 1.000 0.818 CA 1.760 Z: 11 24.535 2.053 0.935 0.866 1.000 0.900 CB 1.430 Z: 10 24.118 2.289 1.184 0.645 0.889 0.556 CA 1.580 Z: 13 47.958 2.345 1.360 0.928 0.917 0.917 N 1.911 13 residues pruned to eliminate duplicates Z: 24 35.439 2.332 0.930 0.599 0.913 0.652 CB 1.637 17 residues pruned to eliminate duplicates Z: 17 45.123 2.369 1.361 0.925 0.938 0.750 CB 1.510 17 residues pruned to eliminate duplicates Z: 6 8.515 1.911 0.398 0.702 1.000 1.000 CA 1.186 Z: 17 37.944 2.378 1.164 0.879 0.875 0.750 CB 1.528 17 residues pruned to eliminate duplicates Z: 15 39.050 2.366 1.146 0.888 0.929 0.857 CB 1.595 15 residues pruned to eliminate duplicates Z: 17 38.335 2.271 0.829 0.900 1.000 0.812 CB 1.648 16 residues pruned to eliminate duplicates Z: 10 22.149 2.424 0.808 0.681 0.778 0.556 CB 1.834 10 residues pruned to eliminate duplicates Z: 11 31.526 2.593 1.253 0.715 0.800 0.500 CA 1.756 14 residues pruned to eliminate duplicates Z: 16 41.105 2.554 0.867 0.790 0.933 0.733 CA 1.849 16 residues pruned to eliminate duplicates Z: 12 27.441 2.351 0.692 0.865 0.909 0.818 CA 1.676 12 residues pruned to eliminate duplicates Z: 15 32.906 2.330 0.737 0.876 0.929 0.643 CB 1.701 Z: 14 37.973 2.372 0.822 0.870 1.000 0.923 CB 1.778 15 residues pruned to eliminate duplicates Z: 12 14.936 2.230 0.774 0.325 0.818 0.545 CB 1.686 Z: 15 37.428 2.361 1.071 0.829 0.929 0.786 CB 1.658 14 residues pruned to eliminate duplicates Z: 15 38.745 2.390 0.937 0.876 0.929 0.571 CB 1.751 15 residues pruned to eliminate duplicates Z: 24 28.248 2.125 1.028 0.540 0.826 0.609 CB 1.591 Z: 13 46.386 2.440 1.337 0.929 0.917 0.583 CB 1.793 13 residues pruned to eliminate duplicates Z: 19 24.349 2.270 0.853 0.339 0.889 0.556 CB 1.829 Z: 62 55.941 2.295 1.055 0.554 0.918 0.443 CB 1.569 18 residues pruned to eliminate duplicates Z: 14 36.549 2.288 0.908 0.909 1.000 0.923 CA 1.647 14 residues pruned to eliminate duplicates Z: 14 40.002 2.294 1.086 0.898 1.000 0.692 CB 1.658 14 residues pruned to eliminate duplicates Z: 13 35.344 2.415 0.885 0.900 1.000 0.583 CB 1.601 Z: 18 19.760 2.236 0.843 0.548 0.765 0.471 CB 1.451 Z: 6 6.874 1.803 0.534 0.645 0.800 0.600 CB 1.213 6 residues pruned to eliminate duplicates Z: 14 34.276 2.322 1.328 0.769 0.846 0.615 CB 1.638 14 residues pruned to eliminate duplicates Z: 12 29.173 2.201 0.823 0.905 1.000 0.909 CB 1.559 Z: 12 33.052 2.157 1.048 0.921 1.000 0.909 CA 1.587 12 residues pruned to eliminate duplicates Z: 12 31.452 2.079 1.230 0.861 1.000 0.545 CB 1.503 12 residues pruned to eliminate duplicates Z: 26 28.256 2.199 0.881 0.470 0.840 0.480 CB 1.677 22 residues pruned to eliminate duplicates Z: 17 44.025 2.278 1.298 0.896 1.000 0.625 CB 1.506 17 residues pruned to eliminate duplicates Z: 7 7.631 2.204 0.833 0.401 0.500 0.500 N 1.712 Z: 10 20.456 1.992 1.309 0.653 0.778 0.556 N 1.653 8 residues pruned to eliminate duplicates Z: 7 9.797 1.967 0.973 0.508 0.667 0.667 O 1.533 Z: 13 44.972 2.473 1.405 0.871 0.917 0.500 CB 1.737 13 residues pruned to eliminate duplicates Z: 13 49.469 2.346 1.393 0.927 0.917 0.750 N 1.944 13 residues pruned to eliminate duplicates Z: 17 39.410 2.273 0.908 0.863 1.000 0.812 CA 1.666 Z: 24 25.900 2.160 0.977 0.520 0.783 0.696 CA 1.585 Z: 17 47.477 2.436 1.127 0.868 0.938 0.812 CA 1.786 17 residues pruned to eliminate duplicates Z: 14 33.751 2.219 1.248 0.811 0.923 0.769 CA 1.552 14 residues pruned to eliminate duplicates Z: 11 47.323 2.543 1.209 0.926 1.000 0.800 CA 1.868 11 residues pruned to eliminate duplicates Z: 15 36.198 2.377 0.994 0.886 0.929 0.857 CB 1.586 15 residues pruned to eliminate duplicates Z: 14 31.189 2.220 0.785 0.939 1.000 0.846 CA 1.517 14 residues pruned to eliminate duplicates Z: 16 36.261 2.374 0.787 0.871 0.867 0.733 CA 1.857 15 residues pruned to eliminate duplicates Z: 12 36.275 2.361 1.056 0.905 0.909 0.909 CA 1.764 12 residues pruned to eliminate duplicates Z: 16 36.976 2.362 0.902 0.834 0.933 0.667 CA 1.708 16 residues pruned to eliminate duplicates Z: 11 25.910 2.104 0.808 0.847 1.000 0.800 CA 1.599 11 residues pruned to eliminate duplicates Z: 9 21.488 2.297 1.121 0.701 0.750 0.375 CA 1.731 9 residues pruned to eliminate duplicates Z: 17 40.116 2.362 1.291 0.904 0.875 0.625 CB 1.509 17 residues pruned to eliminate duplicates Z: 26 22.979 2.235 0.856 0.366 0.760 0.440 CB 1.683 Z: 40 48.233 2.359 1.106 0.546 0.846 0.615 CB 1.756 35 residues pruned to eliminate duplicates Z: 8 19.795 2.499 0.966 0.677 0.714 0.429 CA 1.811 8 residues pruned to eliminate duplicates Z: 6 12.321 1.965 0.926 0.526 1.000 0.600 O 1.419 6 residues pruned to eliminate duplicates Z: 12 21.372 2.049 0.814 0.799 0.909 0.636 CB 1.468 Z: 17 37.073 2.271 0.970 0.901 0.938 0.625 CB 1.577 17 residues pruned to eliminate duplicates Z: 17 37.320 2.452 0.769 0.790 0.938 0.688 CA 1.779 17 residues pruned to eliminate duplicates Z: 17 36.529 2.246 1.029 0.836 0.875 0.500 CB 1.715 17 residues pruned to eliminate duplicates Z: 18 17.952 2.121 0.863 0.450 0.824 0.647 CB 1.408 Z: 17 42.109 2.474 0.854 0.830 0.938 0.750 CA 1.841 17 residues pruned to eliminate duplicates Z: 90 55.741 2.224 0.909 0.506 0.865 0.404 CB 1.598 56 residues pruned to eliminate duplicates Z: 25 15.287 2.109 0.764 0.304 0.833 0.417 CB 1.252 7 residues pruned to eliminate duplicates Z: 18 20.217 2.361 0.996 0.315 0.765 0.412 CA 1.670 Z: 8 21.143 2.183 1.197 0.779 0.857 0.429 CA 1.521 8 residues pruned to eliminate duplicates Z: 14 28.087 2.154 0.891 0.873 0.923 0.923 CA 1.509 14 residues pruned to eliminate duplicates Z: 17 40.519 2.291 0.940 0.893 1.000 0.750 CA 1.636 17 residues pruned to eliminate duplicates Z: 21 23.478 2.320 0.913 0.477 0.750 0.500 CB 1.615 7 residues pruned to eliminate duplicates Z: 22 17.273 2.353 0.583 0.304 0.762 0.429 CA 1.651 20 residues pruned to eliminate duplicates Z: 13 25.947 2.101 0.924 0.891 0.917 0.750 CB 1.454 13 residues pruned to eliminate duplicates Z: 17 31.210 2.243 1.020 0.853 0.812 0.562 CA 1.566 17 residues pruned to eliminate duplicates Z: 16 38.561 2.279 0.867 0.867 1.000 1.000 CB 1.711 16 residues pruned to eliminate duplicates Z: 11 24.330 2.233 0.883 0.835 0.900 0.700 CA 1.522 11 residues pruned to eliminate duplicates Z: 13 35.269 2.317 0.984 0.919 0.917 0.833 CA 1.702 13 residues pruned to eliminate duplicates Z: 15 36.978 2.333 0.882 0.892 1.000 0.643 CB 1.617 15 residues pruned to eliminate duplicates Z: 12 24.785 2.172 0.817 0.866 1.000 0.727 CA 1.386 12 residues pruned to eliminate duplicates Z: 6 9.882 2.111 0.754 0.749 0.800 0.400 CA 1.194 Z: 12 40.154 2.252 1.563 0.909 0.909 0.636 CB 1.638 12 residues pruned to eliminate duplicates Z: 12 19.783 2.151 1.168 0.705 0.818 0.273 CA 1.297 12 residues pruned to eliminate duplicates Z: 9 21.666 2.361 1.494 0.647 0.625 0.250 CA 1.815 10 residues pruned to eliminate duplicates Z: 14 32.122 2.111 1.310 0.836 0.923 0.692 CB 1.481 14 residues pruned to eliminate duplicates Z: 17 45.039 2.367 1.262 0.916 0.938 0.812 CB 1.584 17 residues pruned to eliminate duplicates Z: 14 32.343 2.244 1.404 0.868 0.846 0.692 CB 1.437 Z: 12 41.146 2.320 1.749 0.911 0.909 0.455 CB 1.517 12 residues pruned to eliminate duplicates Z: 14 30.122 2.261 0.880 0.886 0.923 0.769 CB 1.536 14 residues pruned to eliminate duplicates Z: 19 39.335 2.076 1.031 0.855 1.000 0.778 CA 1.624 18 residues pruned to eliminate duplicates Z: 12 43.784 2.387 1.422 0.909 0.909 0.727 CB 1.783 14 residues pruned to eliminate duplicates Z: 16 28.623 2.318 1.061 0.496 0.867 0.333 CA 1.792 16 residues pruned to eliminate duplicates Z: 13 36.284 2.353 1.230 0.830 1.000 0.750 CB 1.501 13 residues pruned to eliminate duplicates Z: 25 27.933 2.229 0.886 0.475 0.917 0.583 CB 1.518 25 residues pruned to eliminate duplicates Z: 78 67.134 2.327 1.103 0.524 0.909 0.506 CB 1.680 50 residues pruned to eliminate duplicates Z: 40 37.213 2.293 0.935 0.549 0.821 0.436 CB 1.560 24 residues pruned to eliminate duplicates Z: 17 38.289 2.251 1.095 0.885 0.938 0.812 CB 1.563 17 residues pruned to eliminate duplicates Z: 38 38.806 2.192 1.157 0.475 0.946 0.595 CB 1.463 Z: 13 43.502 2.326 1.359 0.944 0.917 0.917 CA 1.729 13 residues pruned to eliminate duplicates Z: 16 39.420 2.418 0.747 0.856 1.000 0.933 CA 1.777 16 residues pruned to eliminate duplicates Z: 22 14.135 2.044 0.804 0.389 0.857 0.667 CB 1.098 Z: 33 34.722 2.226 0.969 0.465 0.906 0.594 CB 1.602 18 residues pruned to eliminate duplicates Z: 9 9.622 1.770 1.191 0.542 0.750 0.625 CB 1.122 Z: 9 16.088 2.163 0.429 0.861 0.875 0.750 CA 1.545 9 residues pruned to eliminate duplicates Z: 11 22.182 2.198 0.438 0.885 1.000 0.900 CA 1.602 11 residues pruned to eliminate duplicates Z: 16 58.103 2.631 1.059 0.853 1.000 0.800 CA 2.047 16 residues pruned to eliminate duplicates Z: 23 27.917 2.216 0.857 0.502 0.818 0.545 CA 1.764 23 residues pruned to eliminate duplicates Z: 11 27.839 2.315 0.653 0.912 1.000 0.900 CB 1.628 11 residues pruned to eliminate duplicates Z: 30 20.182 2.070 0.699 0.377 0.793 0.414 CB 1.533 15 residues pruned to eliminate duplicates Z: 7 11.623 1.910 0.721 0.498 1.000 0.333 CB 1.447 7 residues pruned to eliminate duplicates Z: 16 43.339 2.339 1.013 0.884 1.000 0.733 CB 1.717 16 residues pruned to eliminate duplicates Z: 16 29.079 2.180 0.973 0.852 0.933 0.667 CA 1.383 15 residues pruned to eliminate duplicates Z: 91 55.405 2.284 0.998 0.471 0.878 0.544 CB 1.501 75 residues pruned to eliminate duplicates Z: 24 29.107 2.298 1.138 0.433 0.870 0.478 CB 1.523 24 residues pruned to eliminate duplicates Z: 12 55.770 2.494 1.364 0.933 1.000 0.909 CA 1.990 11 residues pruned to eliminate duplicates Z: 14 42.320 2.402 1.362 0.867 1.000 0.615 CB 1.513 14 residues pruned to eliminate duplicates Z: 16 25.920 2.236 0.486 0.806 0.867 0.733 CB 1.780 16 residues pruned to eliminate duplicates Z: 15 37.233 2.304 1.012 0.857 1.000 0.714 CB 1.582 15 residues pruned to eliminate duplicates Z: 6 6.272 2.176 0.875 0.297 0.800 0.400 CB 1.078 Z: 27 31.997 2.340 0.967 0.417 0.846 0.423 CB 1.757 27 residues pruned to eliminate duplicates Z: 11 23.793 2.048 0.846 0.856 1.000 0.800 CB 1.468 11 residues pruned to eliminate duplicates Z: 16 20.714 2.311 0.699 0.496 0.800 0.467 CB 1.710 16 residues pruned to eliminate duplicates Z: 14 40.644 2.210 1.374 0.933 1.000 0.769 CB 1.499 14 residues pruned to eliminate duplicates Z: 13 24.261 1.975 1.002 0.899 0.917 0.667 CB 1.382 Z: 14 27.605 2.277 0.704 0.898 0.923 0.692 CB 1.530 14 residues pruned to eliminate duplicates Z: 12 17.861 2.251 0.882 0.399 0.909 0.818 CB 1.556 12 residues pruned to eliminate duplicates Z: 36 27.066 2.185 0.763 0.365 0.829 0.371 CB 1.657 36 residues pruned to eliminate duplicates Z: 13 20.739 2.021 0.689 0.800 0.833 0.833 CA 1.618 13 residues pruned to eliminate duplicates Z: 17 40.906 2.286 0.976 0.849 1.000 0.750 CA 1.679 24 residues pruned to eliminate duplicates Z: 13 34.900 2.392 0.946 0.832 1.000 0.833 CA 1.625 13 residues pruned to eliminate duplicates Z: 24 37.719 2.348 0.940 0.640 0.957 0.826 CB 1.584 24 residues pruned to eliminate duplicates Z: 82 70.193 2.308 1.144 0.584 0.938 0.494 CB 1.550 84 residues pruned to eliminate duplicates Z: 16 52.940 2.441 1.190 0.888 1.000 0.800 CA 1.843 16 residues pruned to eliminate duplicates Z: 48 32.413 2.128 0.822 0.433 0.851 0.447 CB 1.535 40 residues pruned to eliminate duplicates Z: 26 25.883 2.289 0.890 0.368 0.800 0.480 CB 1.723 30 residues pruned to eliminate duplicates Z: 12 24.182 2.140 0.852 0.896 0.909 0.909 CA 1.450 13 residues pruned to eliminate duplicates Z: 7 6.609 2.157 -0.201 0.724 0.833 0.667 CB 1.536 7 residues pruned to eliminate duplicates Z: 17 42.076 2.254 1.143 0.849 1.000 0.750 CB 1.614 17 residues pruned to eliminate duplicates Z: 16 14.759 2.171 0.530 0.390 0.933 0.533 CB 1.380 Z: 28 25.080 2.249 0.676 0.459 0.815 0.481 CB 1.639 28 residues pruned to eliminate duplicates Z: 17 40.828 2.219 1.026 0.885 1.000 0.750 CA 1.639 17 residues pruned to eliminate duplicates Z: 8 6.929 1.679 0.718 0.524 0.857 0.714 O 1.035 Z: 45 48.429 2.433 1.049 0.537 0.909 0.500 CB 1.554 46 residues pruned to eliminate duplicates Z: 69 52.313 2.315 1.079 0.453 0.824 0.515 CB 1.679 60 residues pruned to eliminate duplicates Z: 43 57.389 2.409 1.130 0.534 0.952 0.476 CB 1.753 25 residues pruned to eliminate duplicates Z: 6 7.822 2.073 0.114 0.687 0.800 0.600 CA 1.595 6 residues pruned to eliminate duplicates Z: 12 23.649 2.005 0.773 0.894 1.000 0.727 CB 1.439 12 residues pruned to eliminate duplicates Z: 7 5.821 1.492 0.703 0.693 0.667 0.500 CA 1.176 7 residues pruned to eliminate duplicates Z: 26 26.784 2.239 0.953 0.404 0.880 0.360 CB 1.540 26 residues pruned to eliminate duplicates Z: 17 46.091 2.263 1.289 0.899 0.938 0.750 CA 1.696 17 residues pruned to eliminate duplicates Z: 24 26.059 2.219 0.795 0.480 0.870 0.478 CB 1.601 9 residues pruned to eliminate duplicates Z: 6 16.990 2.096 0.868 0.823 1.000 0.800 CA 1.467 6 residues pruned to eliminate duplicates Z: 8 16.825 2.035 0.749 0.715 0.857 0.714 CB 1.714 Z: 11 11.919 2.147 0.428 0.511 0.900 0.600 CB 1.351 11 residues pruned to eliminate duplicates Z: 11 13.349 2.308 0.914 0.307 0.800 0.600 CB 1.480 11 residues pruned to eliminate duplicates Z: 93 60.029 2.201 0.976 0.537 0.880 0.543 CB 1.576 91 residues pruned to eliminate duplicates Z: 19 31.563 2.074 0.883 0.900 0.944 0.833 CA 1.441 19 residues pruned to eliminate duplicates Z: 15 25.898 2.295 0.373 0.816 1.000 0.786 CA 1.668 15 residues pruned to eliminate duplicates Z: 9 11.256 2.405 0.494 0.349 0.750 0.375 CA 1.741 9 residues pruned to eliminate duplicates Z: 12 12.373 1.859 0.665 0.561 1.000 0.455 CB 1.136 Z: 12 27.978 2.105 0.982 0.855 1.000 0.818 CA 1.491 12 residues pruned to eliminate duplicates Z: 18 17.526 2.139 0.698 0.434 0.882 0.706 CB 1.419 17 residues pruned to eliminate duplicates Z: 24 27.511 2.225 1.177 0.393 0.783 0.565 CA 1.694 24 residues pruned to eliminate duplicates Z: 16 47.710 2.444 1.130 0.894 1.000 0.867 CA 1.697 16 residues pruned to eliminate duplicates Z: 13 44.830 2.352 1.124 0.922 1.000 0.750 CB 1.821 13 residues pruned to eliminate duplicates Z: 15 27.091 2.268 0.882 0.614 0.857 0.429 CB 1.776 11 residues pruned to eliminate duplicates Z: 14 13.596 2.037 0.672 0.401 0.846 0.462 CB 1.452 15 residues pruned to eliminate duplicates Z: 16 51.751 2.385 1.538 0.888 1.000 0.800 CB 1.590 16 residues pruned to eliminate duplicates Z: 25 33.982 2.157 1.057 0.571 0.917 0.500 CB 1.592 13 residues pruned to eliminate duplicates Z: 6 14.272 2.032 0.737 0.728 1.000 1.000 CB 1.472 Z: 6 5.733 2.038 0.059 0.393 1.000 0.600 CB 1.331 Z: 107 72.316 2.357 1.024 0.502 0.868 0.566 CB 1.693 138 residues pruned to eliminate duplicates Z: 48 65.837 2.493 1.247 0.563 0.915 0.447 CB 1.763 39 residues pruned to eliminate duplicates Z: 42 47.922 2.297 1.075 0.585 0.878 0.634 CB 1.648 42 residues pruned to eliminate duplicates Z: 6 14.237 2.178 1.138 0.627 0.800 0.800 CB 1.517 6 residues pruned to eliminate duplicates Z: 38 31.858 2.155 0.868 0.428 0.919 0.459 CB 1.526 51 residues pruned to eliminate duplicates Z: 15 33.265 2.374 0.724 0.872 0.929 0.714 CB 1.705 15 residues pruned to eliminate duplicates Z: 17 40.015 2.233 1.102 0.863 0.938 0.688 CB 1.668 17 residues pruned to eliminate duplicates Z: 14 25.647 2.207 1.071 0.797 0.846 0.308 CB 1.418 14 residues pruned to eliminate duplicates Z: 22 29.373 2.220 1.053 0.460 0.857 0.476 CB 1.708 22 residues pruned to eliminate duplicates Z: 14 41.511 2.222 1.455 0.889 0.923 0.538 CB 1.646 14 residues pruned to eliminate duplicates Z: 14 13.037 2.066 0.564 0.469 0.846 0.462 CB 1.365 14 residues pruned to eliminate duplicates Z: 18 17.843 2.204 0.755 0.373 0.824 0.471 CB 1.555 18 residues pruned to eliminate duplicates Z: 13 21.281 2.024 0.626 0.845 1.000 0.833 CB 1.388 Z: 12 27.313 2.391 0.948 0.787 1.000 0.273 CA 1.373 12 residues pruned to eliminate duplicates Z: 38 42.894 2.303 1.049 0.528 0.919 0.568 CB 1.583 38 residues pruned to eliminate duplicates Z: 34 37.741 2.216 1.071 0.534 0.879 0.606 CB 1.575 34 residues pruned to eliminate duplicates Z: 14 21.631 2.007 0.606 0.863 0.923 0.846 CA 1.480 14 residues pruned to eliminate duplicates Z: 12 28.354 2.232 0.784 0.922 1.000 0.818 CB 1.510 12 residues pruned to eliminate duplicates Z: 13 45.474 2.298 1.667 0.871 1.000 0.583 CB 1.562 13 residues pruned to eliminate duplicates Z: 50 52.796 2.309 1.122 0.534 0.898 0.653 CB 1.658 66 residues pruned to eliminate duplicates Z: 12 30.145 2.079 1.020 0.881 1.000 0.818 CA 1.567 12 residues pruned to eliminate duplicates Z: 11 31.207 2.446 1.361 0.819 0.700 0.500 CA 1.851 11 residues pruned to eliminate duplicates Z: 23 17.876 2.159 0.759 0.363 0.773 0.545 CB 1.505 23 residues pruned to eliminate duplicates Z: 10 11.539 1.716 0.312 0.859 1.000 0.667 CA 1.257 10 residues pruned to eliminate duplicates Z: 68 53.203 2.350 1.056 0.480 0.866 0.507 CB 1.585 68 residues pruned to eliminate duplicates Z: 16 28.538 2.298 0.626 0.749 0.867 0.733 CA 1.823 16 residues pruned to eliminate duplicates Z: 13 24.722 1.986 0.952 0.873 1.000 0.750 CA 1.341 11 residues pruned to eliminate duplicates Z: 32 32.058 2.131 0.965 0.456 0.935 0.323 CB 1.538 48 residues pruned to eliminate duplicates Z: 16 42.557 2.337 0.911 0.868 1.000 0.667 CB 1.799 16 residues pruned to eliminate duplicates Z: 16 19.080 2.389 0.457 0.495 0.800 0.600 CA 1.778 16 residues pruned to eliminate duplicates Z: 13 6.974 1.900 0.499 0.256 0.833 0.333 CB 1.122 13 residues pruned to eliminate duplicates Z: 16 21.467 1.905 0.972 0.696 0.933 0.667 CA 1.322 16 residues pruned to eliminate duplicates Z: 13 28.306 2.311 0.701 0.848 1.000 0.833 CA 1.542 13 residues pruned to eliminate duplicates Z: 13 44.719 2.357 1.372 0.843 0.917 0.583 CA 1.876 12 residues pruned to eliminate duplicates Z: 15 24.588 2.217 1.023 0.575 0.929 0.500 CB 1.468 15 residues pruned to eliminate duplicates Z: 15 34.345 2.255 1.137 0.881 0.929 0.714 CA 1.486 15 residues pruned to eliminate duplicates Z: 11 21.377 2.036 0.558 0.889 1.000 1.000 CB 1.534 10 residues pruned to eliminate duplicates Z: 6 6.212 1.744 0.279 0.733 0.800 0.800 CB 1.262 6 residues pruned to eliminate duplicates Z: 26 26.791 2.180 1.035 0.422 0.840 0.680 CB 1.559 26 residues pruned to eliminate duplicates Z: 47 41.446 2.149 0.910 0.510 0.891 0.500 CB 1.654 41 residues pruned to eliminate duplicates Z: 20 36.232 2.336 1.203 0.544 0.895 0.474 CB 1.729 20 residues pruned to eliminate duplicates Z: 17 39.660 2.235 1.157 0.912 1.000 0.500 CB 1.457 17 residues pruned to eliminate duplicates Z: 30 27.635 2.197 0.833 0.430 0.828 0.517 CB 1.655 29 residues pruned to eliminate duplicates Z: 14 21.555 1.894 0.754 0.912 1.000 0.846 CB 1.274 14 residues pruned to eliminate duplicates Z: 14 21.606 2.390 0.677 0.452 0.846 0.615 CA 1.856 14 residues pruned to eliminate duplicates Z: 17 40.797 2.257 0.927 0.879 1.000 0.688 CA 1.700 17 residues pruned to eliminate duplicates Z: 12 24.729 2.042 0.885 0.917 1.000 0.818 CB 1.368 11 residues pruned to eliminate duplicates Z: 23 16.156 2.252 0.743 0.300 0.727 0.500 CB 1.509 22 residues pruned to eliminate duplicates Z: 13 46.742 2.226 1.486 0.869 1.000 0.833 CA 1.781 14 residues pruned to eliminate duplicates Z: 10 15.550 1.891 0.959 0.744 1.000 0.556 CA 1.125 10 residues pruned to eliminate duplicates Z: 26 23.089 2.190 0.879 0.361 0.800 0.480 CB 1.628 Z: 7 6.746 2.070 -0.060 0.654 0.833 0.667 CA 1.472 6 residues pruned to eliminate duplicates Z: 54 46.264 2.269 1.107 0.520 0.830 0.509 CB 1.569 54 residues pruned to eliminate duplicates Z: 24 21.823 2.200 0.991 0.403 0.739 0.565 CB 1.556 24 residues pruned to eliminate duplicates Z: 12 29.738 2.124 1.258 0.856 0.909 0.636 CA 1.516 13 residues pruned to eliminate duplicates Z: 101 66.571 2.208 1.076 0.510 0.920 0.510 CB 1.564 101 residues pruned to eliminate duplicates Z: 16 36.649 2.310 0.697 0.878 1.000 0.800 CB 1.752 16 residues pruned to eliminate duplicates Z: 15 36.986 2.382 0.890 0.861 0.929 0.714 CB 1.738 15 residues pruned to eliminate duplicates Z: 12 23.254 1.955 0.751 0.862 1.000 0.727 CB 1.504 12 residues pruned to eliminate duplicates Z: 17 42.415 2.244 1.171 0.842 1.000 0.750 CA 1.623 17 residues pruned to eliminate duplicates Z: 32 31.349 2.280 0.875 0.537 0.839 0.452 CB 1.515 32 residues pruned to eliminate duplicates Z: 37 34.037 2.168 0.945 0.487 0.833 0.528 CB 1.635 30 residues pruned to eliminate duplicates Z: 15 48.274 2.453 1.186 0.836 1.000 0.571 CA 1.801 15 residues pruned to eliminate duplicates Z: 12 5.038 1.762 0.511 0.253 0.636 0.182 CA 1.191 12 residues pruned to eliminate duplicates Z: 13 30.339 2.404 1.037 0.893 0.917 0.250 CB 1.400 13 residues pruned to eliminate duplicates Z: 41 31.754 2.121 1.098 0.442 0.875 0.525 CB 1.369 40 residues pruned to eliminate duplicates Z: 6 12.662 2.036 0.923 0.750 0.800 0.400 CA 1.446 6 residues pruned to eliminate duplicates Z: 32 16.864 1.972 0.701 0.327 0.903 0.452 CB 1.208 22 residues pruned to eliminate duplicates Z: 12 20.562 2.180 0.415 0.903 1.000 0.909 CA 1.433 12 residues pruned to eliminate duplicates Z: 12 10.205 1.859 0.884 0.290 0.727 0.545 O 1.528 12 residues pruned to eliminate duplicates Z: 15 35.991 2.281 0.901 0.912 1.000 0.714 CA 1.572 15 residues pruned to eliminate duplicates Z: 18 16.640 2.085 0.885 0.426 0.882 0.588 CB 1.257 20 residues pruned to eliminate duplicates Z: 29 43.912 2.245 1.174 0.632 0.929 0.643 CB 1.617 29 residues pruned to eliminate duplicates Z: 16 11.866 2.136 0.826 0.378 0.667 0.467 CB 1.341 Z: 18 33.658 2.185 0.825 0.819 1.000 0.824 CA 1.552 18 residues pruned to eliminate duplicates Z: 36 28.777 2.191 0.854 0.464 0.857 0.543 CB 1.448 37 residues pruned to eliminate duplicates Z: 40 34.532 2.241 0.885 0.479 0.897 0.564 CB 1.491 40 residues pruned to eliminate duplicates Z: 11 20.044 2.109 0.671 0.853 0.900 0.600 CB 1.477 11 residues pruned to eliminate duplicates Z: 18 12.976 2.250 0.542 0.386 0.824 0.529 CB 1.243 Z: 83 51.887 2.239 0.918 0.472 0.890 0.561 CB 1.542 83 residues pruned to eliminate duplicates Z: 11 24.582 2.110 0.856 0.831 1.000 0.900 CA 1.492 11 residues pruned to eliminate duplicates Z: 7 8.887 2.270 0.199 0.565 0.833 0.667 CB 1.502 Z: 11 23.912 1.954 1.123 0.844 1.000 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 23 20.175 1.938 1.096 0.452 0.818 0.545 CA 1.359 23 residues pruned to eliminate duplicates Z: 23 30.937 2.109 1.066 0.507 0.909 0.545 CA 1.653 23 residues pruned to eliminate duplicates Z: 12 48.501 2.437 1.520 0.934 1.000 1.000 CA 1.660 12 residues pruned to eliminate duplicates Z: 9 5.673 1.959 0.628 0.217 0.625 0.375 O 1.404 12 residues pruned to eliminate duplicates Z: 24 20.558 2.161 0.893 0.459 0.870 0.478 CB 1.257 24 residues pruned to eliminate duplicates Z: 16 16.842 2.178 0.573 0.398 0.933 0.733 CB 1.515 7 residues pruned to eliminate duplicates Z: 14 36.485 2.376 0.819 0.875 1.000 0.692 CA 1.703 14 residues pruned to eliminate duplicates Z: 14 25.756 2.050 1.073 0.810 0.923 0.615 CA 1.390 14 residues pruned to eliminate duplicates Z: 51 66.459 2.371 1.178 0.555 0.980 0.560 CB 1.760 51 residues pruned to eliminate duplicates Z: 12 26.170 2.082 0.775 0.853 1.000 0.909 CB 1.577 12 residues pruned to eliminate duplicates Z: 17 37.629 2.363 1.152 0.888 0.875 0.812 CB 1.524 17 residues pruned to eliminate duplicates Z: 33 32.679 2.261 1.127 0.462 0.844 0.531 CB 1.480 44 residues pruned to eliminate duplicates Z: 62 49.090 2.297 0.913 0.516 0.885 0.574 CB 1.590 62 residues pruned to eliminate duplicates Z: 12 52.190 2.410 1.524 0.889 1.000 0.636 CA 1.863 12 residues pruned to eliminate duplicates Z: 22 17.853 2.138 0.635 0.402 0.905 0.476 CB 1.366 22 residues pruned to eliminate duplicates Z: 36 18.305 1.977 0.871 0.357 0.800 0.429 CB 1.221 42 residues pruned to eliminate duplicates Z: 32 37.516 2.302 1.010 0.537 0.903 0.419 CB 1.555 32 residues pruned to eliminate duplicates Z: 18 28.212 2.243 1.052 0.545 0.882 0.588 CB 1.612 18 residues pruned to eliminate duplicates Z: 12 20.147 2.255 0.794 0.616 0.818 0.182 CA 1.644 12 residues pruned to eliminate duplicates Z: 12 27.220 2.002 1.120 0.895 1.000 1.000 CB 1.386 14 residues pruned to eliminate duplicates Z: 40 59.580 2.528 1.179 0.529 0.923 0.538 CB 1.824 40 residues pruned to eliminate duplicates Z: 16 48.150 2.412 1.089 0.870 1.000 0.800 CA 1.801 16 residues pruned to eliminate duplicates Z: 12 11.865 2.132 0.604 0.298 0.909 0.636 CB 1.442 12 residues pruned to eliminate duplicates Z: 23 29.999 2.303 0.999 0.479 0.818 0.591 CB 1.735 23 residues pruned to eliminate duplicates Z: 62 62.685 2.348 1.124 0.521 0.951 0.475 CB 1.657 62 residues pruned to eliminate duplicates Z: 7 10.668 1.876 0.785 0.699 0.833 0.833 CA 1.302 Z: 23 52.956 2.366 1.305 0.675 1.000 0.591 CB 1.762 23 residues pruned to eliminate duplicates Z: 37 59.726 2.405 1.315 0.543 0.972 0.528 CB 1.763 37 residues pruned to eliminate duplicates Z: 13 34.554 2.056 1.219 0.921 1.000 0.750 CB 1.540 13 residues pruned to eliminate duplicates Z: 41 36.939 2.172 0.940 0.493 0.875 0.450 CB 1.595 41 residues pruned to eliminate duplicates Z: 25 32.454 2.304 1.048 0.441 0.917 0.583 CB 1.627 25 residues pruned to eliminate duplicates Z: 12 27.477 2.028 0.994 0.857 1.000 0.636 CB 1.509 12 residues pruned to eliminate duplicates Z: 7 7.700 1.877 0.660 0.777 0.667 0.333 CA 1.186 7 residues pruned to eliminate duplicates Z: 17 34.030 2.219 0.905 0.846 0.938 0.812 CB 1.594 17 residues pruned to eliminate duplicates Z: 16 51.755 2.443 1.175 0.898 1.000 0.933 CA 1.798 16 residues pruned to eliminate duplicates Z: 15 15.657 1.788 0.592 0.775 0.929 0.643 CB 1.242 15 residues pruned to eliminate duplicates Z: 17 39.683 2.271 1.046 0.860 0.875 0.562 CB 1.793 17 residues pruned to eliminate duplicates Z: 7 11.025 2.145 1.132 0.387 0.667 0.500 CB 1.665 6 residues pruned to eliminate duplicates Z: 19 36.403 2.149 1.033 0.864 1.000 0.722 CA 1.439 19 residues pruned to eliminate duplicates Z: 95 61.654 2.314 0.980 0.496 0.830 0.500 CB 1.678 106 residues pruned to eliminate duplicates Z: 29 21.590 2.186 0.865 0.412 0.821 0.464 CB 1.335 29 residues pruned to eliminate duplicates Z: 16 22.666 2.104 0.686 0.828 0.933 0.533 CA 1.331 16 residues pruned to eliminate duplicates Z: 106 67.146 2.306 1.030 0.494 0.867 0.533 CB 1.624 106 residues pruned to eliminate duplicates Z: 13 28.398 2.282 0.684 0.895 0.917 0.917 CA 1.668 13 residues pruned to eliminate duplicates Z: 32 39.120 2.292 1.043 0.543 0.871 0.484 CB 1.651 32 residues pruned to eliminate duplicates Z: 55 46.842 2.354 0.929 0.476 0.889 0.630 CB 1.618 55 residues pruned to eliminate duplicates Z: 16 39.795 2.312 0.884 0.880 1.000 0.667 CB 1.709 16 residues pruned to eliminate duplicates Z: 64 50.284 2.358 1.116 0.422 0.857 0.587 CB 1.606 61 residues pruned to eliminate duplicates Z: 18 16.556 2.164 0.962 0.401 0.824 0.471 CB 1.274 18 residues pruned to eliminate duplicates Z: 7 19.094 2.341 0.501 0.843 0.833 0.333 CA 1.981 7 residues pruned to eliminate duplicates Z: 38 29.452 2.104 0.790 0.448 0.919 0.459 CB 1.476 21 residues pruned to eliminate duplicates Z: 24 32.874 2.289 0.977 0.495 0.913 0.522 CB 1.668 24 residues pruned to eliminate duplicates Z: 23 46.575 2.395 0.876 0.727 1.000 0.818 CB 1.801 23 residues pruned to eliminate duplicates Z: 16 41.204 2.437 0.811 0.869 1.000 0.667 CA 1.760 16 residues pruned to eliminate duplicates Z: 24 15.773 2.356 0.923 0.233 0.609 0.261 CB 1.628 24 residues pruned to eliminate duplicates Z: 10 14.284 1.941 0.898 0.684 0.778 0.667 CA 1.404 10 residues pruned to eliminate duplicates Z: 39 32.399 2.107 1.071 0.399 0.895 0.447 CB 1.496 40 residues pruned to eliminate duplicates Z: 15 32.995 2.190 1.154 0.873 0.929 0.786 CB 1.466 15 residues pruned to eliminate duplicates Z: 15 12.625 2.138 0.520 0.415 0.857 0.643 CB 1.324 15 residues pruned to eliminate duplicates Z: 19 15.574 2.154 0.723 0.334 0.889 0.444 CB 1.335 19 residues pruned to eliminate duplicates Z: 7 9.679 2.040 0.877 0.711 0.667 0.500 CB 1.278 7 residues pruned to eliminate duplicates Z: 45 28.126 2.089 0.781 0.404 0.864 0.545 CB 1.460 45 residues pruned to eliminate duplicates Z: 12 34.126 2.169 1.204 0.907 1.000 0.818 CB 1.529 12 residues pruned to eliminate duplicates Z: 41 35.731 2.081 0.945 0.571 0.900 0.600 CB 1.449 26 residues pruned to eliminate duplicates Z: 10 9.319 1.917 0.865 0.404 0.778 0.556 N 1.236 Z: 18 36.361 2.173 1.146 0.861 0.882 0.529 CB 1.576 18 residues pruned to eliminate duplicates Z: 29 26.685 2.181 0.809 0.555 0.929 0.536 CB 1.305 29 residues pruned to eliminate duplicates Z: 24 39.113 2.373 1.234 0.566 0.870 0.348 CB 1.659 24 residues pruned to eliminate duplicates Z: 12 22.011 2.055 0.956 0.803 1.000 0.636 CB 1.267 12 residues pruned to eliminate duplicates Z: 39 57.517 2.477 1.117 0.564 0.895 0.737 CA 1.870 39 residues pruned to eliminate duplicates Z: 14 44.063 2.475 0.887 0.847 1.000 0.692 CA 1.944 14 residues pruned to eliminate duplicates Z: 59 31.758 2.127 0.859 0.389 0.776 0.500 CB 1.528 133 residues pruned to eliminate duplicates Z: 35 42.851 2.360 1.258 0.615 0.853 0.382 CB 1.450 36 residues pruned to eliminate duplicates Z: 15 30.056 2.118 0.783 0.896 1.000 0.857 CA 1.525 15 residues pruned to eliminate duplicates Z: 13 27.002 2.063 1.123 0.853 0.917 0.417 CB 1.435 13 residues pruned to eliminate duplicates Z: 10 25.035 2.277 0.920 0.926 1.000 1.000 CA 1.339 10 residues pruned to eliminate duplicates Z: 18 17.548 2.269 0.447 0.431 0.941 0.647 CB 1.479 18 residues pruned to eliminate duplicates Z: 7 2.988 1.882 0.070 0.388 0.500 0.500 CA 1.364 7 residues pruned to eliminate duplicates Z: 6 12.038 1.894 0.517 0.857 1.000 1.000 CA 1.381 Z: 134 54.205 2.145 0.801 0.427 0.850 0.541 CB 1.544 134 residues pruned to eliminate duplicates Z: 10 11.250 1.641 0.379 0.858 1.000 0.556 CB 1.220 10 residues pruned to eliminate duplicates Z: 22 12.159 1.998 0.470 0.399 0.762 0.429 CB 1.318 22 residues pruned to eliminate duplicates Z: 9 19.782 2.220 1.581 0.742 0.750 0.500 CA 1.310 9 residues pruned to eliminate duplicates Z: 9 21.218 2.370 0.555 0.731 1.000 0.375 CB 1.653 9 residues pruned to eliminate duplicates Z: 12 33.451 2.180 1.049 0.809 1.000 0.364 CA 1.725 12 residues pruned to eliminate duplicates Z: 29 33.083 2.287 0.827 0.500 0.929 0.679 CB 1.611 29 residues pruned to eliminate duplicates Z: 13 19.626 2.176 0.560 0.837 0.917 0.750 CB 1.362 13 residues pruned to eliminate duplicates Z: 13 45.477 2.391 1.518 0.867 1.000 0.417 CB 1.595 13 residues pruned to eliminate duplicates Z: 17 16.221 2.092 0.603 0.422 0.938 0.562 CB 1.400 18 residues pruned to eliminate duplicates Z: 16 16.703 2.025 1.163 0.578 0.867 0.600 CB 1.054 Z: 6 4.275 2.179 0.056 0.381 0.600 0.600 CB 1.571 6 residues pruned to eliminate duplicates Z: 15 32.187 2.291 0.943 0.866 0.857 0.786 CA 1.651 Z: 13 27.396 2.018 1.083 0.896 1.000 1.000 CA 1.347 13 residues pruned to eliminate duplicates Z: 12 9.727 1.740 0.765 0.306 0.818 0.545 CB 1.448 12 residues pruned to eliminate duplicates Z: 16 16.841 2.249 0.595 0.353 0.933 0.400 CB 1.523 16 residues pruned to eliminate duplicates Z: 7 4.182 1.721 0.478 0.405 0.667 0.500 CB 1.112 7 residues pruned to eliminate duplicates Z: 62 41.988 2.239 0.851 0.460 0.885 0.541 CB 1.527 62 residues pruned to eliminate duplicates Z: 6 11.134 1.969 0.786 0.624 0.800 0.800 N 1.575 Z: 17 37.957 2.277 0.905 0.827 1.000 0.562 CA 1.648 17 residues pruned to eliminate duplicates Z: 94 63.015 2.235 1.049 0.529 0.892 0.527 CB 1.554 109 residues pruned to eliminate duplicates Z: 8 6.343 2.000 0.107 0.698 0.857 0.571 CB 1.054 8 residues pruned to eliminate duplicates Z: 6 4.881 1.567 0.520 0.744 1.000 0.600 CB 0.737 Z: 44 43.739 2.315 0.980 0.458 0.884 0.419 CB 1.720 44 residues pruned to eliminate duplicates Z: 24 31.042 2.245 0.813 0.468 0.957 0.609 CA 1.718 24 residues pruned to eliminate duplicates Z: 35 28.808 2.207 0.931 0.384 0.765 0.441 CB 1.714 35 residues pruned to eliminate duplicates Z: 23 21.171 2.185 0.848 0.427 0.818 0.545 CB 1.474 23 residues pruned to eliminate duplicates Z: 8 8.146 1.841 0.418 0.529 1.000 0.857 CB 1.146 Z: 12 24.762 2.051 1.132 0.872 1.000 0.636 CA 1.244 12 residues pruned to eliminate duplicates Z: 45 48.858 2.314 1.024 0.529 0.909 0.523 CB 1.681 46 residues pruned to eliminate duplicates Z: 10 19.676 2.053 1.260 0.671 0.889 0.556 CA 1.358 10 residues pruned to eliminate duplicates Z: 11 36.211 2.145 1.314 0.911 1.000 0.700 CB 1.635 11 residues pruned to eliminate duplicates Z: 38 27.458 2.164 0.959 0.439 0.784 0.486 CB 1.447 38 residues pruned to eliminate duplicates Z: 24 25.022 2.212 0.890 0.421 0.826 0.652 CB 1.640 24 residues pruned to eliminate duplicates Z: 50 40.986 2.272 1.056 0.440 0.898 0.388 CB 1.484 50 residues pruned to eliminate duplicates Z: 27 29.907 2.171 0.997 0.448 0.846 0.538 CB 1.686 27 residues pruned to eliminate duplicates Z: 6 5.747 2.016 0.301 0.481 0.800 0.600 CB 1.249 Z: 6 9.158 2.099 1.043 0.456 0.600 0.600 CA 1.665 6 residues pruned to eliminate duplicates Z: 15 26.360 2.217 0.841 0.828 0.929 0.571 CA 1.400 15 residues pruned to eliminate duplicates Z: 30 35.411 2.176 1.004 0.583 0.897 0.655 CB 1.553 30 residues pruned to eliminate duplicates Z: 25 33.136 2.257 0.981 0.541 0.917 0.583 CB 1.586 25 residues pruned to eliminate duplicates Z: 12 17.337 2.165 0.770 0.480 0.909 0.636 CB 1.532 12 residues pruned to eliminate duplicates Z: 113 67.221 2.285 0.849 0.513 0.884 0.536 CB 1.679 113 residues pruned to eliminate duplicates Z: 13 9.262 1.842 0.218 0.589 0.917 0.750 CB 1.194 13 residues pruned to eliminate duplicates Z: 40 30.507 2.201 0.839 0.439 0.872 0.385 CB 1.474 40 residues pruned to eliminate duplicates Z: 6 4.422 1.939 0.743 0.299 0.600 0.400 CB 1.220 Z: 17 19.930 2.248 0.941 0.473 0.875 0.500 CB 1.341 17 residues pruned to eliminate duplicates Z: 18 49.282 2.342 1.337 0.791 1.000 0.765 CB 1.692 18 residues pruned to eliminate duplicates Z: 11 10.913 2.299 0.703 0.472 0.600 0.400 CB 1.511 11 residues pruned to eliminate duplicates Z: 12 16.666 2.020 1.030 0.448 0.818 0.727 CB 1.579 9 residues pruned to eliminate duplicates Z: 14 14.377 1.985 0.523 0.576 0.846 0.538 CB 1.448 14 residues pruned to eliminate duplicates Z: 19 16.500 1.852 1.006 0.493 0.722 0.500 N 1.459 Z: 6 5.305 2.121 0.482 0.289 0.600 0.400 O 1.594 6 residues pruned to eliminate duplicates Z: 42 47.645 2.402 1.016 0.546 0.902 0.390 CB 1.629 42 residues pruned to eliminate duplicates Z: 88 57.589 2.265 0.973 0.485 0.839 0.529 CB 1.671 88 residues pruned to eliminate duplicates Z: 10 14.385 1.628 0.733 0.891 1.000 0.556 CB 1.221 10 residues pruned to eliminate duplicates Z: 61 63.213 2.288 1.108 0.545 0.967 0.567 CB 1.675 61 residues pruned to eliminate duplicates Z: 9 19.994 2.225 1.578 0.687 0.625 0.250 CB 1.661 Z: 39 30.027 2.116 0.636 0.516 0.921 0.553 CB 1.504 39 residues pruned to eliminate duplicates Z: 40 28.323 2.123 0.682 0.409 0.923 0.462 CB 1.515 46 residues pruned to eliminate duplicates Z: 10 12.383 2.010 1.083 0.748 0.556 0.333 CB 1.423 10 residues pruned to eliminate duplicates Z: 11 33.314 2.348 0.843 0.930 1.000 1.000 CB 1.702 11 residues pruned to eliminate duplicates Z: 6 11.997 2.045 0.778 0.787 0.800 0.400 CA 1.434 6 residues pruned to eliminate duplicates Z: 7 6.316 1.872 0.755 0.360 0.833 0.500 CB 1.095 4 residues pruned to eliminate duplicates Z: 13 18.280 1.909 0.578 0.823 1.000 0.667 CB 1.324 11 residues pruned to eliminate duplicates Z: 64 47.414 2.196 0.918 0.545 0.873 0.619 CB 1.555 30 residues pruned to eliminate duplicates Z: 9 9.566 1.905 0.820 0.631 0.750 0.750 CB 1.150 9 residues pruned to eliminate duplicates Z: 46 55.505 2.432 1.078 0.546 0.956 0.422 CB 1.638 46 residues pruned to eliminate duplicates Z: 23 15.814 2.100 0.900 0.392 0.773 0.545 CB 1.226 23 residues pruned to eliminate duplicates Z: 9 10.634 1.954 0.914 0.423 0.875 0.750 CB 1.245 Z: 9 13.582 2.055 0.875 0.634 0.625 0.500 N 1.759 9 residues pruned to eliminate duplicates Z: 7 6.496 1.876 0.507 0.384 0.667 0.667 O 1.590 7 residues pruned to eliminate duplicates Z: 14 13.377 1.783 0.895 0.492 0.846 0.385 CA 1.308 14 residues pruned to eliminate duplicates Z: 15 35.523 2.235 1.044 0.897 1.000 0.786 CA 1.489 15 residues pruned to eliminate duplicates Z: 23 26.459 2.176 0.588 0.564 0.864 0.636 CB 1.777 23 residues pruned to eliminate duplicates Z: 15 39.596 2.411 0.896 0.856 0.929 0.643 CA 1.839 15 residues pruned to eliminate duplicates Z: 18 10.469 1.872 0.660 0.414 0.765 0.471 CB 1.169 18 residues pruned to eliminate duplicates Z: 106 80.099 2.315 1.128 0.494 0.924 0.562 CB 1.728 106 residues pruned to eliminate duplicates Z: 6 12.759 2.218 0.402 0.679 1.000 0.800 CB 1.557 Z: 17 29.440 2.309 1.055 0.732 0.875 0.312 CB 1.439 17 residues pruned to eliminate duplicates Z: 32 24.011 2.218 0.720 0.452 0.806 0.484 CB 1.472 32 residues pruned to eliminate duplicates Z: 8 15.011 2.168 1.201 0.762 0.714 0.714 CA 1.319 8 residues pruned to eliminate duplicates Z: 7 12.699 2.018 0.866 0.536 0.833 0.667 N 1.595 6 residues pruned to eliminate duplicates Z: 16 16.645 2.190 0.551 0.424 0.933 0.400 CB 1.467 16 residues pruned to eliminate duplicates Z: 16 11.401 2.039 0.664 0.383 0.733 0.667 CB 1.341 16 residues pruned to eliminate duplicates Z: 12 33.643 2.288 1.536 0.878 0.909 0.545 CB 1.395 12 residues pruned to eliminate duplicates Z: 9 16.486 1.761 0.817 0.781 1.000 0.500 CA 1.421 9 residues pruned to eliminate duplicates Z: 10 8.323 1.949 0.855 0.382 0.667 0.556 N 1.305 8 residues pruned to eliminate duplicates Z: 40 27.821 2.187 0.836 0.415 0.821 0.538 CB 1.478 40 residues pruned to eliminate duplicates Z: 14 10.749 2.192 0.548 0.441 0.692 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 6.766 1.837 0.007 0.474 0.889 0.556 CB 1.408 Z: 91 65.395 2.323 1.013 0.530 0.889 0.622 CB 1.610 91 residues pruned to eliminate duplicates Z: 55 48.859 2.283 0.945 0.520 0.907 0.519 CB 1.618 55 residues pruned to eliminate duplicates Z: 15 31.514 2.265 0.678 0.912 1.000 0.714 CB 1.569 15 residues pruned to eliminate duplicates Z: 12 24.867 1.966 0.897 0.829 1.000 0.636 CB 1.513 12 residues pruned to eliminate duplicates Z: 6 13.949 2.232 1.200 0.606 1.000 0.800 CB 1.149 Z: 13 8.502 1.702 0.924 0.471 0.833 0.500 CB 0.926 10 residues pruned to eliminate duplicates Z: 8 18.186 1.868 0.820 0.851 1.000 0.571 CA 1.498 8 residues pruned to eliminate duplicates Z: 8 10.864 1.869 0.837 0.468 0.857 0.571 CA 1.442 Z: 6 7.621 1.791 0.462 0.750 1.000 0.600 N 1.041 6 residues pruned to eliminate duplicates Z: 37 21.868 2.149 0.783 0.363 0.806 0.472 CB 1.368 41 residues pruned to eliminate duplicates Z: 7 5.519 1.935 0.221 0.272 0.833 0.500 C 1.482 Z: 21 31.198 2.210 0.730 0.629 1.000 0.700 CA 1.617 21 residues pruned to eliminate duplicates Z: 46 37.120 2.094 0.860 0.534 0.911 0.667 CB 1.507 46 residues pruned to eliminate duplicates Z: 13 22.818 1.974 1.087 0.836 0.917 0.583 CB 1.305 13 residues pruned to eliminate duplicates Z: 7 5.668 1.645 0.161 0.675 0.833 0.667 CA 1.238 7 residues pruned to eliminate duplicates Z: 16 39.379 2.584 0.732 0.822 0.933 0.667 CA 1.841 16 residues pruned to eliminate duplicates Z: 13 25.938 1.971 1.216 0.798 0.917 0.500 CB 1.441 13 residues pruned to eliminate duplicates Z: 13 39.530 2.412 1.029 0.871 1.000 0.667 CA 1.701 13 residues pruned to eliminate duplicates Z: 13 13.690 2.242 0.643 0.355 0.750 0.417 CB 1.674 27 residues pruned to eliminate duplicates Z: 12 9.971 1.706 0.911 0.482 0.727 0.636 N 1.291 12 residues pruned to eliminate duplicates Z: 24 35.048 2.225 0.793 0.667 0.913 0.565 CB 1.719 24 residues pruned to eliminate duplicates Z: 16 46.494 2.350 1.016 0.876 1.000 0.533 CA 1.842 16 residues pruned to eliminate duplicates Z: 14 32.368 2.312 0.751 0.886 1.000 0.923 CA 1.600 14 residues pruned to eliminate duplicates Z: 25 26.259 2.185 0.921 0.437 0.833 0.500 CB 1.635 25 residues pruned to eliminate duplicates Z: 11 23.742 2.044 0.941 0.640 0.900 0.600 O 1.843 11 residues pruned to eliminate duplicates Z: 46 49.623 2.473 1.026 0.547 0.911 0.511 CB 1.547 46 residues pruned to eliminate duplicates Z: 8 6.454 1.789 0.375 0.757 0.857 0.429 CB 0.921 8 residues pruned to eliminate duplicates Z: 6 3.586 1.361 0.785 0.549 0.800 0.600 O 0.787 Z: 12 12.554 1.998 0.832 0.508 0.727 0.545 CB 1.411 11 residues pruned to eliminate duplicates Z: 6 10.651 1.947 0.610 0.861 1.000 0.600 CA 1.117 Z: 9 7.891 1.931 0.309 0.355 0.875 0.750 CB 1.475 9 residues pruned to eliminate duplicates Z: 36 41.215 2.280 1.100 0.445 0.857 0.486 CA 1.797 36 residues pruned to eliminate duplicates Z: 6 11.553 1.922 0.846 0.692 1.000 0.600 CB 1.222 Z: 44 32.267 2.016 0.736 0.514 0.907 0.558 CB 1.528 44 residues pruned to eliminate duplicates Z: 56 59.429 2.314 1.112 0.517 0.891 0.618 CB 1.809 56 residues pruned to eliminate duplicates Z: 20 21.970 2.052 1.006 0.661 0.789 0.474 CB 1.336 20 residues pruned to eliminate duplicates Z: 11 28.255 2.138 0.952 0.908 0.900 0.900 CB 1.690 11 residues pruned to eliminate duplicates Z: 6 2.781 1.615 0.431 0.289 0.800 0.600 N 0.852 Z: 57 47.281 2.254 1.007 0.462 0.875 0.393 CB 1.659 57 residues pruned to eliminate duplicates Z: 18 40.049 2.305 0.967 0.779 1.000 0.706 CB 1.674 18 residues pruned to eliminate duplicates Z: 7 4.233 1.838 0.775 0.395 0.500 0.333 O 1.184 7 residues pruned to eliminate duplicates Z: 11 13.032 2.124 0.633 0.373 0.800 0.600 CB 1.701 10 residues pruned to eliminate duplicates Z: 6 3.678 1.831 0.737 0.441 0.600 0.600 CB 0.916 Z: 10 7.047 1.869 0.666 0.448 0.889 0.889 CB 0.895 10 residues pruned to eliminate duplicates Z: 16 10.015 1.758 0.709 0.412 0.867 0.600 CB 1.089 15 residues pruned to eliminate duplicates Z: 16 29.743 2.141 0.810 0.805 1.000 0.600 CB 1.518 16 residues pruned to eliminate duplicates Z: 12 4.318 1.562 0.419 0.277 0.818 0.364 CB 0.924 12 residues pruned to eliminate duplicates Z: 6 7.146 2.063 0.634 0.341 0.800 0.400 CA 1.408 Z: 14 11.274 2.076 0.642 0.429 0.846 0.769 CB 1.166 14 residues pruned to eliminate duplicates Z: 12 9.960 1.837 0.588 0.540 0.818 0.636 CB 1.210 Z: 12 13.527 2.148 0.666 0.539 0.909 0.636 CA 1.206 12 residues pruned to eliminate duplicates Z: 14 41.040 2.342 1.074 0.877 1.000 0.615 CB 1.702 14 residues pruned to eliminate duplicates Z: 7 8.353 1.743 0.479 0.683 1.000 0.833 CB 1.119 Z: 10 13.396 2.006 0.409 0.665 0.889 0.667 CA 1.526 10 residues pruned to eliminate duplicates Z: 6 2.292 1.858 0.725 0.255 0.600 0.600 CB 0.706 Z: 8 14.988 1.889 0.482 0.911 1.000 0.571 CA 1.435 8 residues pruned to eliminate duplicates Z: 14 11.307 2.028 0.536 0.451 0.923 0.615 CB 1.147 14 residues pruned to eliminate duplicates Z: 12 26.881 1.997 1.253 0.844 1.000 0.455 CA 1.340 12 residues pruned to eliminate duplicates Z: 21 16.317 2.043 0.658 0.398 0.800 0.450 CB 1.500 22 residues pruned to eliminate duplicates Z: 16 34.847 2.140 1.041 0.914 1.000 0.533 CB 1.457 16 residues pruned to eliminate duplicates Z: 6 5.738 1.806 0.595 0.300 1.000 0.600 CB 1.114 Z: 8 9.402 1.744 0.809 0.470 1.000 0.714 CB 1.161 Z: 29 30.624 2.116 0.764 0.620 0.893 0.607 CB 1.550 29 residues pruned to eliminate duplicates Z: 6 5.966 1.855 0.674 0.767 1.000 1.000 CB 0.678 Z: 19 37.784 2.057 1.237 0.816 0.889 0.556 CB 1.655 19 residues pruned to eliminate duplicates Z: 6 8.414 1.972 0.919 0.694 0.600 0.400 CA 1.387 6 residues pruned to eliminate duplicates Z: 17 37.178 2.329 1.033 0.881 0.938 0.688 CB 1.516 17 residues pruned to eliminate duplicates Z: 6 3.451 1.744 1.273 0.533 0.600 0.600 CB 0.628 Z: 14 20.885 2.273 0.915 0.546 0.846 0.385 CA 1.503 14 residues pruned to eliminate duplicates Z: 7 7.134 1.918 0.347 0.520 0.833 0.500 CB 1.326 7 residues pruned to eliminate duplicates Z: 6 3.869 1.594 0.110 0.597 0.800 0.600 CA 1.113 Z: 28 34.520 2.332 0.907 0.547 0.852 0.593 CB 1.675 28 residues pruned to eliminate duplicates Z: 52 60.365 2.425 1.084 0.510 0.922 0.471 CB 1.797 52 residues pruned to eliminate duplicates Z: 68 57.246 2.241 1.081 0.523 0.881 0.612 CB 1.665 68 residues pruned to eliminate duplicates Z: 6 6.478 1.828 0.160 0.671 1.000 0.800 N 1.167 6 residues pruned to eliminate duplicates Z: 7 7.867 1.933 -0.053 0.778 1.000 0.500 CB 1.373 7 residues pruned to eliminate duplicates Z: 23 13.627 2.054 0.504 0.362 0.909 0.500 CB 1.200 23 residues pruned to eliminate duplicates Z: 12 27.191 2.049 0.788 0.929 1.000 1.000 CB 1.566 13 residues pruned to eliminate duplicates Z: 7 4.092 1.653 0.788 0.529 0.667 0.333 CB 0.824 7 residues pruned to eliminate duplicates Z: 27 31.992 2.082 0.858 0.661 0.962 0.731 CB 1.452 27 residues pruned to eliminate duplicates Z: 9 11.039 1.899 0.661 0.844 0.625 0.500 CB 1.473 9 residues pruned to eliminate duplicates Z: 74 59.891 2.330 0.957 0.505 0.918 0.521 CB 1.667 74 residues pruned to eliminate duplicates Z: 14 10.801 1.814 0.299 0.467 0.923 0.615 CB 1.425 Z: 9 6.262 1.509 0.666 0.628 0.625 0.500 N 1.250 9 residues pruned to eliminate duplicates Z: 88 73.860 2.383 1.081 0.562 0.874 0.586 CB 1.721 88 residues pruned to eliminate duplicates Z: 26 35.364 2.290 0.895 0.623 0.920 0.600 CB 1.577 26 residues pruned to eliminate duplicates Z: 7 2.118 1.427 0.346 0.094 0.667 0.333 N 1.136 Z: 9 12.060 1.880 0.564 0.864 0.875 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 38 26.759 2.119 0.747 0.390 0.838 0.351 CB 1.595 38 residues pruned to eliminate duplicates Z: 12 5.870 1.589 0.590 0.350 0.818 0.545 CB 1.008 Z: 12 16.248 2.284 0.492 0.390 1.000 0.727 CB 1.615 12 residues pruned to eliminate duplicates Z: 12 16.658 2.133 0.786 0.440 0.909 0.727 CB 1.542 7 1.756 1.486 0.556 0.604 0.833 0.500 CB 0.337 ? Z: 8 17.066 2.278 0.543 0.856 0.714 0.429 CB 1.894 8 residues pruned to eliminate duplicates Z: 12 7.748 1.679 0.791 0.332 0.909 0.455 CB 1.028 12 residues pruned to eliminate duplicates Z: 17 26.256 1.998 0.721 0.873 1.000 0.625 CB 1.390 17 residues pruned to eliminate duplicates Z: 7 11.076 1.768 0.363 0.760 1.000 0.500 CA 1.489 7 residues pruned to eliminate duplicates Z: 16 15.789 1.960 0.930 0.432 0.800 0.467 CA 1.444 16 residues pruned to eliminate duplicates Z: 41 40.837 2.173 0.945 0.528 0.900 0.725 CB 1.652 41 residues pruned to eliminate duplicates Z: 16 59.807 2.569 1.284 0.876 1.000 0.600 CA 1.912 16 residues pruned to eliminate duplicates Z: 10 17.850 1.776 0.821 0.858 1.000 0.556 CB 1.354 10 residues pruned to eliminate duplicates Z: 8 8.526 1.812 0.555 0.786 0.857 0.429 CB 1.038 8 residues pruned to eliminate duplicates Z: 9 11.511 2.032 0.760 0.547 1.000 0.500 CB 1.086 9 residues pruned to eliminate duplicates Z: 16 8.444 1.855 0.447 0.386 0.867 0.600 CB 1.058 15 residues pruned to eliminate duplicates Z: 33 51.769 2.406 1.278 0.547 0.938 0.688 CB 1.702 39 residues pruned to eliminate duplicates Z: 32 45.546 2.323 1.311 0.500 0.903 0.581 CB 1.687 32 residues pruned to eliminate duplicates 6 1.551 1.982 -0.370 0.601 0.800 0.800 CB 0.630 ? Z: 19 16.481 2.070 0.683 0.520 0.889 0.667 CB 1.230 19 residues pruned to eliminate duplicates Z: 6 2.145 1.702 0.399 0.293 0.800 0.400 CB 0.635 Z: 90 51.233 2.295 0.946 0.497 0.820 0.528 CB 1.487 90 residues pruned to eliminate duplicates Z: 11 11.330 2.035 0.925 0.304 0.900 0.600 CA 1.264 Z: 52 64.708 2.385 1.193 0.546 0.961 0.627 CB 1.724 52 residues pruned to eliminate duplicates Z: 6 2.293 1.550 0.135 0.298 0.600 0.600 CB 1.217 Z: 49 32.325 2.196 0.863 0.421 0.792 0.521 CB 1.564 49 residues pruned to eliminate duplicates Z: 6 6.506 1.923 0.333 0.482 0.800 0.600 N 1.445 Z: 23 10.285 1.930 0.582 0.275 0.818 0.364 CB 1.132 23 residues pruned to eliminate duplicates Z: 14 26.736 2.156 0.759 0.868 1.000 0.615 CA 1.430 14 residues pruned to eliminate duplicates Z: 7 7.446 1.674 0.704 0.517 0.833 0.667 CB 1.258 Z: 37 51.897 2.394 1.063 0.509 0.972 0.500 CB 1.785 37 residues pruned to eliminate duplicates Z: 12 25.873 2.219 1.199 0.657 0.818 0.182 CA 1.689 8 residues pruned to eliminate duplicates Z: 6 2.027 1.684 0.051 0.625 0.800 0.600 CB 0.569 Z: 13 24.752 1.993 1.048 0.896 0.917 0.750 CB 1.368 13 residues pruned to eliminate duplicates Z: 21 14.455 1.877 0.738 0.494 0.750 0.400 CB 1.328 21 residues pruned to eliminate duplicates Z: 21 36.137 2.257 1.031 0.575 0.950 0.550 CB 1.727 21 residues pruned to eliminate duplicates Z: 6 6.325 2.052 0.324 0.766 0.800 0.600 CB 1.028 Z: 6 5.351 1.733 0.234 0.292 1.000 0.400 N 1.413 Z: 16 26.254 2.279 1.011 0.545 0.867 0.600 CB 1.634 16 residues pruned to eliminate duplicates Z: 9 13.168 1.784 0.853 0.793 0.875 0.625 CB 1.245 9 residues pruned to eliminate duplicates Z: 59 49.754 2.281 0.909 0.507 0.914 0.569 CB 1.631 59 residues pruned to eliminate duplicates Z: 32 15.788 2.089 0.476 0.318 0.742 0.419 CB 1.516 32 residues pruned to eliminate duplicates Z: 42 40.067 2.215 0.958 0.550 0.854 0.634 CB 1.609 42 residues pruned to eliminate duplicates Z: 30 36.821 2.269 1.109 0.566 0.897 0.690 CB 1.494 30 residues pruned to eliminate duplicates Z: 7 14.000 2.091 0.728 0.628 1.000 0.500 CA 1.403 7 residues pruned to eliminate duplicates Z: 40 47.697 2.238 1.113 0.615 0.872 0.641 CB 1.662 40 residues pruned to eliminate duplicates Z: 21 35.684 2.397 0.897 0.669 0.800 0.600 CA 1.876 21 residues pruned to eliminate duplicates Z: 8 2.167 1.715 0.108 0.316 0.857 0.429 CB 0.617 Z: 15 5.731 1.794 0.109 0.349 0.857 0.643 CB 1.058 Z: 26 32.417 2.361 1.059 0.433 0.800 0.560 CB 1.787 26 residues pruned to eliminate duplicates Z: 16 13.143 1.819 0.652 0.525 0.867 0.667 CB 1.272 7 residues pruned to eliminate duplicates Z: 7 2.595 1.471 -0.065 0.274 1.000 0.333 N 0.995 Z: 17 15.764 2.171 0.614 0.491 0.875 0.438 CB 1.296 29 residues pruned to eliminate duplicates Z: 9 5.878 1.720 0.024 0.460 0.875 0.500 C 1.404 14 residues pruned to eliminate duplicates Z: 18 20.392 2.375 0.434 0.412 0.941 0.588 CB 1.692 18 residues pruned to eliminate duplicates Z: 29 33.272 2.197 1.043 0.568 0.893 0.643 CB 1.470 29 residues pruned to eliminate duplicates Z: 80 55.752 2.197 0.906 0.539 0.911 0.620 CB 1.582 60 residues pruned to eliminate duplicates Z: 8 3.599 1.807 0.448 0.439 0.714 0.571 CB 0.775 Z: 9 7.384 1.739 1.052 0.414 0.750 0.500 CB 1.067 12 residues pruned to eliminate duplicates Z: 8 17.506 1.906 0.669 0.871 1.000 0.429 CA 1.518 8 residues pruned to eliminate duplicates Z: 10 10.192 2.097 0.549 0.431 0.667 0.333 CB 1.685 9 residues pruned to eliminate duplicates Z: 15 39.246 2.254 1.133 0.887 1.000 0.643 CA 1.573 15 residues pruned to eliminate duplicates Z: 52 37.233 2.181 0.858 0.553 0.804 0.510 CB 1.520 52 residues pruned to eliminate duplicates Z: 8 17.709 2.051 0.725 0.889 0.857 0.571 CA 1.589 8 residues pruned to eliminate duplicates Z: 40 42.096 2.188 1.100 0.484 0.897 0.667 CB 1.661 158 residues pruned to eliminate duplicates Z: 6 5.082 1.650 -0.211 0.828 1.000 0.800 N 1.314 6 residues pruned to eliminate duplicates Z: 7 2.924 1.497 0.035 0.417 0.833 0.667 C 1.008 Z: 6 2.681 1.785 -0.172 0.564 0.800 0.800 CB 0.953 Z: 12 26.148 2.055 0.888 0.906 1.000 1.000 CA 1.445 12 residues pruned to eliminate duplicates Z: 8 10.667 1.960 0.971 0.570 0.714 0.571 N 1.365 8 residues pruned to eliminate duplicates Z: 16 13.807 2.051 0.784 0.405 0.867 0.400 CB 1.242 16 residues pruned to eliminate duplicates Z: 32 32.967 2.258 0.963 0.541 0.935 0.387 CB 1.371 32 residues pruned to eliminate duplicates Z: 17 39.011 2.354 1.025 0.787 1.000 0.938 CB 1.590 17 residues pruned to eliminate duplicates Z: 16 40.633 2.333 1.018 0.878 0.933 0.467 CB 1.733 16 residues pruned to eliminate duplicates Z: 12 20.199 2.102 0.863 0.710 0.818 0.182 CB 1.571 Z: 7 12.651 1.776 0.640 0.784 1.000 0.667 CA 1.381 6 residues pruned to eliminate duplicates Z: 12 22.820 2.002 1.195 0.889 1.000 0.818 CB 1.127 12 residues pruned to eliminate duplicates Z: 38 33.344 2.248 0.858 0.484 0.892 0.568 CB 1.495 38 residues pruned to eliminate duplicates Z: 30 31.347 2.213 0.879 0.469 0.862 0.414 CA 1.675 30 residues pruned to eliminate duplicates Z: 8 6.934 1.685 0.410 0.763 1.000 0.857 CB 0.873 Z: 22 29.214 2.200 0.929 0.529 0.905 0.571 CB 1.613 22 residues pruned to eliminate duplicates Z: 15 28.673 2.126 0.829 0.885 1.000 0.714 CB 1.423 15 residues pruned to eliminate duplicates Z: 6 8.630 1.751 0.813 0.709 0.800 0.200 CA 1.257 6 residues pruned to eliminate duplicates Z: 8 17.305 2.262 0.962 0.797 0.714 0.571 CA 1.590 8 residues pruned to eliminate duplicates Z: 9 16.346 2.208 0.708 0.527 0.875 0.625 CA 1.705 9 residues pruned to eliminate duplicates Z: 27 28.786 2.167 0.919 0.521 0.846 0.615 CB 1.572 27 residues pruned to eliminate duplicates Z: 15 9.652 1.907 0.551 0.367 0.929 0.571 CB 1.084 15 residues pruned to eliminate duplicates Z: 10 12.358 1.765 0.834 0.575 0.889 0.667 CB 1.331 10 residues pruned to eliminate duplicates Z: 43 48.765 2.410 0.964 0.510 0.929 0.595 CB 1.694 43 residues pruned to eliminate duplicates Z: 10 10.455 1.990 0.863 0.380 0.778 0.444 CB 1.373 10 residues pruned to eliminate duplicates Z: 8 11.627 1.980 0.865 0.789 0.714 0.714 CA 1.293 8 residues pruned to eliminate duplicates Z: 21 26.209 2.034 1.005 0.551 0.850 0.500 CB 1.608 21 residues pruned to eliminate duplicates Z: 16 11.460 2.049 0.649 0.440 0.867 0.533 CB 1.075 16 residues pruned to eliminate duplicates Z: 15 11.326 1.728 0.741 0.475 0.714 0.429 CB 1.445 15 residues pruned to eliminate duplicates Z: 17 35.612 2.282 0.714 0.857 1.000 0.688 CB 1.678 17 residues pruned to eliminate duplicates Z: 8 3.306 1.238 0.653 0.500 0.714 0.286 N 0.855 8 residues pruned to eliminate duplicates Z: 11 26.459 2.098 0.983 0.863 1.000 0.900 CB 1.475 12 residues pruned to eliminate duplicates Z: 14 17.175 2.287 0.452 0.445 0.846 0.615 CB 1.794 14 residues pruned to eliminate duplicates Z: 65 45.198 2.200 1.015 0.521 0.828 0.469 CB 1.507 77 residues pruned to eliminate duplicates Z: 55 44.344 2.190 0.972 0.495 0.889 0.463 CB 1.580 55 residues pruned to eliminate duplicates Z: 7 5.710 1.616 0.411 0.614 0.833 0.500 N 1.101 7 residues pruned to eliminate duplicates Z: 10 7.316 1.975 0.493 0.318 0.667 0.667 CA 1.517 10 residues pruned to eliminate duplicates Z: 17 9.381 1.894 0.478 0.390 0.812 0.562 CB 1.159 20 residues pruned to eliminate duplicates Z: 15 39.707 2.330 0.953 0.905 1.000 0.786 CA 1.661 Z: 6 9.342 2.105 0.680 0.847 0.800 0.600 CA 1.096 6 residues pruned to eliminate duplicates Z: 16 39.112 2.175 1.153 0.936 1.000 0.733 CB 1.502 15 residues pruned to eliminate duplicates Z: 87 62.215 2.238 1.042 0.552 0.872 0.512 CB 1.600 103 residues pruned to eliminate duplicates Z: 54 48.640 2.262 1.024 0.535 0.868 0.585 CB 1.624 54 residues pruned to eliminate duplicates Z: 6 7.378 2.126 0.845 0.401 0.600 0.400 CB 1.556 Z: 10 18.422 1.913 1.003 0.600 1.000 0.556 CB 1.457 6 residues pruned to eliminate duplicates Z: 47 52.096 2.299 1.146 0.520 0.913 0.413 CB 1.673 47 residues pruned to eliminate duplicates Z: 13 26.864 2.097 1.040 0.864 1.000 0.417 CB 1.329 13 residues pruned to eliminate duplicates Z: 23 16.583 2.018 0.739 0.284 0.818 0.318 CB 1.571 Z: 14 6.336 1.851 0.176 0.406 0.692 0.615 CB 1.287 14 residues pruned to eliminate duplicates Z: 12 9.431 2.177 0.667 0.242 0.636 0.364 CA 1.660 12 residues pruned to eliminate duplicates Z: 23 12.940 1.839 0.876 0.368 0.727 0.500 CB 1.268 23 residues pruned to eliminate duplicates Z: 9 7.798 1.908 0.655 0.177 0.750 0.500 O 1.720 9 residues pruned to eliminate duplicates Z: 6 9.559 1.863 0.895 0.638 0.800 0.800 CB 1.330 6 residues pruned to eliminate duplicates Z: 15 11.367 1.864 0.547 0.541 0.714 0.571 CB 1.417 15 residues pruned to eliminate duplicates Z: 7 8.063 1.730 0.779 0.533 0.833 0.833 CB 1.242 Z: 16 22.757 2.199 0.821 0.543 1.000 0.667 CB 1.407 16 residues pruned to eliminate duplicates Z: 9 13.695 1.701 0.751 0.842 1.000 0.500 CB 1.211 Z: 32 27.795 2.098 1.129 0.442 0.806 0.581 CB 1.471 32 residues pruned to eliminate duplicates Z: 12 19.078 2.226 0.958 0.444 1.000 0.727 CB 1.398 Z: 38 39.586 2.198 0.988 0.558 0.892 0.595 CB 1.578 38 residues pruned to eliminate duplicates Z: 7 8.851 1.749 0.573 0.865 0.833 0.667 CA 1.155 7 residues pruned to eliminate duplicates Z: 40 27.890 2.073 0.860 0.459 0.795 0.462 CB 1.519 9 residues pruned to eliminate duplicates Z: 11 29.317 2.042 1.185 0.888 1.000 1.000 CB 1.497 11 residues pruned to eliminate duplicates Z: 6 14.236 1.959 0.698 0.835 1.000 0.800 CA 1.434 6 residues pruned to eliminate duplicates Z: 8 5.088 1.591 0.338 0.485 0.857 0.714 CB 1.071 Z: 12 20.142 2.059 0.907 0.823 0.909 0.636 CB 1.286 12 residues pruned to eliminate duplicates Z: 103 69.673 2.253 1.051 0.520 0.882 0.549 CB 1.658 103 residues pruned to eliminate duplicates Z: 17 18.192 1.991 0.635 0.485 0.875 0.312 CB 1.620 17 residues pruned to eliminate duplicates Z: 7 13.158 2.095 0.875 0.686 0.833 0.667 CA 1.384 7 residues pruned to eliminate duplicates Z: 30 46.519 2.464 1.204 0.584 0.966 0.724 CB 1.519 30 residues pruned to eliminate duplicates Z: 89 57.129 2.239 0.994 0.486 0.898 0.455 CB 1.541 89 residues pruned to eliminate duplicates Z: 7 5.802 1.930 -0.122 0.397 1.000 0.667 CB 1.557 Z: 43 31.995 2.143 0.789 0.463 0.952 0.429 CB 1.404 43 residues pruned to eliminate duplicates Z: 7 19.949 1.985 0.712 0.894 1.000 0.500 CA 1.718 7 residues pruned to eliminate duplicates Z: 11 14.544 1.745 0.613 0.777 0.900 0.600 CB 1.422 11 residues pruned to eliminate duplicates Z: 6 4.818 1.662 0.484 0.712 0.600 0.600 CB 1.201 Z: 11 37.710 2.133 1.538 0.930 1.000 0.500 CA 1.540 11 residues pruned to eliminate duplicates Z: 11 7.362 1.930 0.375 0.363 0.700 0.500 CB 1.452 Z: 10 7.759 1.931 0.580 0.425 0.667 0.333 CB 1.374 10 residues pruned to eliminate duplicates 7 1.822 1.708 0.386 0.238 0.667 0.500 CB 0.639 ? Z: 38 47.181 2.414 0.935 0.505 0.919 0.568 CB 1.798 38 residues pruned to eliminate duplicates Z: 15 29.133 2.477 1.181 0.433 0.929 0.643 CB 1.664 15 residues pruned to eliminate duplicates Z: 111 62.730 2.246 0.994 0.477 0.891 0.455 CB 1.535 151 residues pruned to eliminate duplicates Z: 10 4.739 1.832 0.763 0.226 0.667 0.444 CB 1.010 10 residues pruned to eliminate duplicates Z: 24 29.220 2.086 0.881 0.562 0.913 0.609 CB 1.602 24 residues pruned to eliminate duplicates Z: 6 6.093 1.917 -0.027 0.707 1.000 0.800 CB 1.211 Z: 14 8.555 1.884 0.155 0.472 0.846 0.538 N 1.326 6 residues pruned to eliminate duplicates Z: 8 9.235 1.936 0.641 0.657 1.000 0.857 CB 0.950 8 residues pruned to eliminate duplicates Z: 17 19.954 2.223 0.987 0.468 0.938 0.438 CB 1.244 17 residues pruned to eliminate duplicates Z: 6 2.513 1.443 0.684 0.276 0.600 0.600 N 0.993 Z: 28 29.965 2.218 0.845 0.571 0.889 0.481 CB 1.480 28 residues pruned to eliminate duplicates Z: 51 54.763 2.326 1.097 0.500 0.900 0.600 CB 1.765 51 residues pruned to eliminate duplicates Z: 19 14.125 1.906 0.735 0.444 0.778 0.333 CA 1.372 19 residues pruned to eliminate duplicates Z: 9 10.709 1.832 0.681 0.384 0.875 0.750 O 1.591 7 residues pruned to eliminate duplicates Z: 25 20.123 2.149 0.867 0.418 0.875 0.625 CB 1.275 25 residues pruned to eliminate duplicates Z: 23 14.151 1.932 0.472 0.487 0.909 0.545 CB 1.181 23 residues pruned to eliminate duplicates Z: 12 23.280 2.067 0.612 0.890 1.000 0.727 CB 1.516 12 residues pruned to eliminate duplicates Z: 17 35.713 2.181 1.227 0.838 0.938 0.688 CB 1.465 17 residues pruned to eliminate duplicates Z: 39 48.588 2.293 0.986 0.620 0.921 0.553 CB 1.678 39 residues pruned to eliminate duplicates Z: 12 9.033 1.781 0.435 0.463 0.727 0.182 CB 1.522 12 residues pruned to eliminate duplicates Z: 17 41.649 2.353 0.960 0.901 1.000 0.812 CA 1.612 17 residues pruned to eliminate duplicates Z: 21 27.017 2.307 1.023 0.546 0.850 0.800 CB 1.456 21 residues pruned to eliminate duplicates 7 1.786 1.425 0.595 0.253 0.500 0.333 CB 0.852 ? Z: 6 14.619 1.841 1.123 0.615 1.000 0.800 N 1.500 Z: 14 33.317 2.223 1.030 0.914 1.000 0.846 CB 1.448 14 residues pruned to eliminate duplicates Z: 37 47.144 2.367 1.188 0.518 0.889 0.500 CB 1.677 37 residues pruned to eliminate duplicates Z: 12 6.871 1.791 0.795 0.299 0.727 0.455 CB 1.109 Z: 6 5.257 1.874 0.632 0.348 0.600 0.400 N 1.510 6 residues pruned to eliminate duplicates Z: 19 15.119 2.048 0.579 0.370 0.833 0.444 CB 1.520 Z: 16 4.688 1.675 0.610 0.219 0.800 0.333 CB 0.781 Z: 20 24.980 2.135 1.134 0.482 0.842 0.526 CB 1.520 20 residues pruned to eliminate duplicates Z: 9 3.959 1.370 0.656 0.221 0.750 0.375 N 1.140 Z: 59 45.264 2.347 0.759 0.470 0.897 0.672 CB 1.654 59 residues pruned to eliminate duplicates Z: 6 2.876 1.476 0.194 0.313 0.800 0.600 CB 1.122 Z: 8 19.467 2.011 0.833 0.897 1.000 0.714 CA 1.429 8 residues pruned to eliminate duplicates Z: 63 58.523 2.330 1.019 0.510 0.903 0.468 CB 1.731 63 residues pruned to eliminate duplicates Z: 52 33.164 2.103 0.875 0.462 0.824 0.471 CB 1.487 52 residues pruned to eliminate duplicates Z: 46 36.785 2.384 0.977 0.411 0.800 0.333 CB 1.596 46 residues pruned to eliminate duplicates Z: 9 4.417 1.777 0.304 0.392 0.625 0.500 CB 1.209 Z: 7 4.476 1.439 0.716 0.604 0.833 0.833 CB 0.804 Z: 21 18.540 2.244 0.524 0.357 0.850 0.450 CB 1.665 21 residues pruned to eliminate duplicates Z: 7 2.003 1.236 0.547 0.508 0.833 0.667 CB 0.509 Z: 7 8.469 1.862 0.447 0.646 0.833 0.833 CB 1.344 Z: 19 25.418 2.154 1.072 0.549 0.833 0.556 CA 1.536 19 residues pruned to eliminate duplicates Z: 9 7.922 1.726 0.720 0.569 0.750 0.750 CB 1.176 8 residues pruned to eliminate duplicates Z: 26 16.290 1.952 0.787 0.431 0.800 0.520 CB 1.254 33 residues pruned to eliminate duplicates Z: 30 35.434 2.340 1.016 0.420 0.897 0.517 CA 1.691 30 residues pruned to eliminate duplicates Z: 38 43.055 2.290 1.013 0.557 0.838 0.486 CB 1.734 38 residues pruned to eliminate duplicates Z: 8 21.397 2.242 1.122 0.806 0.857 0.429 CA 1.518 8 residues pruned to eliminate duplicates Z: 8 4.887 1.508 0.318 0.469 0.857 0.429 CB 1.119 Z: 12 27.241 2.067 1.218 0.933 0.909 0.818 CB 1.375 12 residues pruned to eliminate duplicates Z: 6 4.647 1.904 0.087 0.731 0.600 0.200 CB 1.360 Z: 10 6.798 1.823 0.776 0.434 1.000 0.444 CB 0.749 10 residues pruned to eliminate duplicates Z: 9 4.906 1.562 0.597 0.301 0.750 0.375 CB 1.157 5 residues pruned to eliminate duplicates Z: 6 3.780 1.460 0.616 0.366 0.800 0.400 CB 1.035 Z: 10 15.737 2.111 0.937 0.538 0.889 0.667 CB 1.391 10 residues pruned to eliminate duplicates Z: 10 4.228 1.292 0.686 0.615 0.778 0.556 CB 0.746 Z: 10 22.937 2.211 1.002 0.700 0.889 0.444 CB 1.619 10 residues pruned to eliminate duplicates Z: 10 4.606 1.763 -0.072 0.351 0.889 0.667 O 1.240 Z: 15 17.743 2.061 0.692 0.515 0.857 0.429 CB 1.563 12 residues pruned to eliminate duplicates 7 1.395 1.324 -0.284 0.366 0.833 0.667 CB 0.833 ? Z: 23 21.364 2.162 0.743 0.454 0.864 0.545 CB 1.467 23 residues pruned to eliminate duplicates Z: 30 19.511 2.009 0.837 0.433 0.793 0.517 CB 1.327 30 residues pruned to eliminate duplicates Z: 9 9.238 2.089 0.792 0.376 0.750 0.500 CB 1.329 9 residues pruned to eliminate duplicates Z: 8 4.064 1.320 0.789 0.698 0.714 0.429 CA 0.760 7 1.837 1.380 0.423 0.552 0.667 0.667 CB 0.544 ? Z: 26 11.929 1.807 0.994 0.344 0.800 0.480 CB 0.980 26 residues pruned to eliminate duplicates Z: 11 13.060 2.252 0.109 0.537 1.000 0.800 CB 1.595 11 residues pruned to eliminate duplicates Z: 10 16.905 2.258 0.588 0.484 1.000 0.667 CB 1.598 9 residues pruned to eliminate duplicates Z: 15 6.655 1.601 0.311 0.397 0.786 0.571 CB 1.202 Z: 14 9.848 2.053 0.492 0.332 0.846 0.615 CB 1.266 14 residues pruned to eliminate duplicates Z: 16 20.669 2.072 1.037 0.425 0.933 0.600 CB 1.464 16 residues pruned to eliminate duplicates Z: 7 2.422 0.959 0.512 0.528 0.833 0.500 CB 0.796 Z: 7 4.360 1.606 0.250 0.595 0.833 0.500 N 0.972 Z: 15 18.746 1.917 0.688 0.725 0.857 0.286 CA 1.474 15 residues pruned to eliminate duplicates Z: 100 78.508 2.311 1.141 0.563 0.929 0.616 CB 1.615 100 residues pruned to eliminate duplicates Z: 7 6.909 1.938 0.595 0.452 0.667 0.500 CB 1.438 7 residues pruned to eliminate duplicates Z: 24 19.887 2.113 0.733 0.435 0.870 0.652 CB 1.392 24 residues pruned to eliminate duplicates 6 1.944 1.432 0.543 0.295 0.800 0.400 CB 0.618 ? Z: 11 29.544 2.160 0.987 0.853 1.000 0.700 CA 1.609 Z: 10 5.431 1.716 0.223 0.367 0.778 0.333 CB 1.280 Z: 33 31.011 2.114 1.033 0.507 0.844 0.594 CB 1.502 33 residues pruned to eliminate duplicates Z: 14 6.510 1.737 0.521 0.269 0.769 0.308 CB 1.156 Z: 7 4.338 1.744 -0.229 0.448 1.000 0.500 CA 1.391 7 residues pruned to eliminate duplicates Z: 7 2.667 1.526 0.196 0.390 0.667 0.333 CB 1.006 Z: 12 26.964 2.028 1.051 0.866 0.909 0.545 CB 1.575 12 residues pruned to eliminate duplicates Z: 21 9.295 1.887 0.721 0.256 0.700 0.450 CB 1.210 21 residues pruned to eliminate duplicates Z: 28 30.606 2.089 0.734 0.622 0.926 0.593 CB 1.566 28 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 32 32.132 2.310 0.998 0.456 0.871 0.516 CB 1.502 32 residues pruned to eliminate duplicates Z: 42 52.275 2.394 1.111 0.541 0.951 0.585 CB 1.631 49 residues pruned to eliminate duplicates Z: 12 52.911 2.426 1.507 0.900 1.000 0.727 CA 1.873 12 residues pruned to eliminate duplicates Z: 27 41.736 2.496 1.041 0.536 0.885 0.808 CB 1.753 27 residues pruned to eliminate duplicates Z: 29 44.952 2.410 1.119 0.537 0.964 0.607 CB 1.663 28 residues pruned to eliminate duplicates Z: 11 42.229 2.335 1.771 0.885 0.900 0.600 CB 1.656 11 residues pruned to eliminate duplicates Z: 12 45.766 2.456 1.658 0.786 0.909 0.545 CB 1.808 12 residues pruned to eliminate duplicates Z: 28 43.737 2.428 1.174 0.538 0.926 0.556 CB 1.660 28 residues pruned to eliminate duplicates Z: 12 42.745 2.071 1.738 0.853 1.000 0.455 CB 1.680 12 residues pruned to eliminate duplicates Z: 28 41.629 2.425 1.158 0.532 0.889 0.444 CB 1.669 29 residues pruned to eliminate duplicates Z: 12 29.503 2.380 1.618 0.843 0.727 0.364 CB 1.461 12 residues pruned to eliminate duplicates Z: 25 40.929 2.411 1.113 0.456 0.917 0.417 CB 1.872 25 residues pruned to eliminate duplicates Z: 40 46.025 2.338 0.941 0.520 0.949 0.564 CB 1.680 40 residues pruned to eliminate duplicates Z: 6 9.318 1.953 1.054 0.346 1.000 0.400 CA 1.228 6 residues pruned to eliminate duplicates Z: 27 40.286 2.471 1.114 0.542 0.846 0.577 CB 1.716 27 residues pruned to eliminate duplicates Z: 18 24.854 2.255 0.894 0.402 0.941 0.471 CB 1.662 18 residues pruned to eliminate duplicates Z: 28 43.142 2.461 1.121 0.542 0.889 0.593 CB 1.717 28 residues pruned to eliminate duplicates Z: 26 37.720 2.392 1.025 0.450 0.920 0.400 CB 1.781 26 residues pruned to eliminate duplicates Z: 17 20.044 2.350 0.656 0.354 0.875 0.562 CA 1.723 17 residues pruned to eliminate duplicates Z: 42 53.733 2.415 1.120 0.562 0.927 0.561 CB 1.665 42 residues pruned to eliminate duplicates Z: 17 20.383 2.358 0.821 0.352 0.750 0.500 CB 1.856 17 residues pruned to eliminate duplicates Z: 29 41.752 2.397 0.969 0.570 0.929 0.536 CB 1.683 28 residues pruned to eliminate duplicates Z: 7 4.057 1.617 0.359 0.389 0.833 0.333 CA 1.017 7 residues pruned to eliminate duplicates Z: 29 41.049 2.412 1.102 0.559 0.893 0.679 CB 1.619 29 residues pruned to eliminate duplicates Z: 17 22.850 2.367 0.820 0.406 0.875 0.562 CB 1.673 17 residues pruned to eliminate duplicates Z: 19 18.728 2.090 0.706 0.413 0.833 0.500 CB 1.628 19 residues pruned to eliminate duplicates Z: 12 15.178 2.186 0.680 0.436 0.909 0.636 CB 1.465 12 residues pruned to eliminate duplicates Z: 30 20.737 2.026 0.580 0.461 0.897 0.586 CB 1.397 30 residues pruned to eliminate duplicates Z: 11 12.992 2.181 0.557 0.354 0.900 0.400 CB 1.574 Z: 6 9.907 1.930 0.595 0.492 1.000 0.800 CA 1.451 Z: 9 9.610 1.599 0.924 0.428 1.000 0.625 CB 1.189 Z: 8 10.518 1.995 0.665 0.282 1.000 0.857 CA 1.530 23 residues pruned to eliminate duplicates Z: 21 20.999 2.124 0.787 0.474 0.950 0.500 CB 1.337 21 residues pruned to eliminate duplicates Z: 30 16.500 2.023 0.494 0.425 0.862 0.517 CB 1.271 42 residues pruned to eliminate duplicates Z: 12 21.133 2.233 1.021 0.511 1.000 0.727 CB 1.397 23 residues pruned to eliminate duplicates Z: 15 11.772 2.107 0.742 0.406 0.857 0.786 CB 1.104 15 residues pruned to eliminate duplicates Z: 14 10.359 2.138 0.482 0.350 1.000 0.538 CB 1.067 14 residues pruned to eliminate duplicates Z: 23 17.298 2.111 0.690 0.432 0.909 0.682 CB 1.221 23 residues pruned to eliminate duplicates Z: 16 12.280 2.097 0.518 0.458 0.867 0.533 CB 1.200 16 residues pruned to eliminate duplicates Z: 15 9.810 2.014 0.385 0.363 0.857 0.500 CB 1.271 15 residues pruned to eliminate duplicates Z: 18 11.513 1.992 0.392 0.413 0.824 0.588 CB 1.339 18 residues pruned to eliminate duplicates Z: 18 11.483 2.000 0.541 0.360 0.882 0.529 CB 1.191 18 residues pruned to eliminate duplicates Z: 25 14.015 1.981 0.547 0.384 0.917 0.500 CB 1.152 25 residues pruned to eliminate duplicates Z: 22 14.545 2.077 0.528 0.376 0.905 0.381 CB 1.261 22 residues pruned to eliminate duplicates Z: 32 20.577 1.998 0.762 0.485 0.806 0.645 CB 1.321 62 residues pruned to eliminate duplicates Z: 11 22.310 2.107 0.723 0.881 1.000 0.900 CB 1.408 11 residues pruned to eliminate duplicates Z: 12 24.050 1.984 0.670 0.905 1.000 0.818 CB 1.557 12 residues pruned to eliminate duplicates Z: 11 22.028 2.068 0.581 0.837 1.000 0.800 CA 1.593 11 residues pruned to eliminate duplicates Z: 11 23.168 2.050 0.883 0.838 1.000 0.800 CB 1.419 11 residues pruned to eliminate duplicates Z: 13 28.282 2.141 1.100 0.672 0.917 0.667 CB 1.689 12 residues pruned to eliminate duplicates Z: 11 23.449 2.027 0.955 0.854 1.000 0.800 CB 1.381 11 residues pruned to eliminate duplicates Z: 44 43.514 2.300 0.882 0.541 0.953 0.698 CB 1.545 80 residues pruned to eliminate duplicates Z: 12 26.532 2.016 0.932 0.901 1.000 0.636 CB 1.466 Z: 12 27.060 1.909 1.180 0.868 1.000 0.909 CB 1.434 12 residues pruned to eliminate duplicates Z: 6 2.090 1.247 0.744 0.382 0.800 0.400 CA 0.610 6 residues pruned to eliminate duplicates Z: 11 19.758 2.190 0.939 0.508 1.000 0.700 CA 1.460 11 residues pruned to eliminate duplicates Z: 6 7.303 1.744 0.568 0.437 1.000 0.400 CA 1.275 6 residues pruned to eliminate duplicates Z: 14 16.031 1.966 0.919 0.383 0.923 0.692 CA 1.446 14 residues pruned to eliminate duplicates Z: 12 18.828 2.088 0.865 0.548 1.000 0.636 CA 1.391 12 residues pruned to eliminate duplicates Z: 14 17.890 2.065 0.916 0.395 0.846 0.462 CB 1.656 14 residues pruned to eliminate duplicates Z: 76 42.691 2.155 0.924 0.442 0.853 0.520 CB 1.478 102 residues pruned to eliminate duplicates Z: 19 20.076 2.142 0.818 0.393 0.889 0.500 CB 1.532 19 residues pruned to eliminate duplicates Z: 15 24.686 2.290 0.884 0.507 1.000 0.643 CB 1.518 15 residues pruned to eliminate duplicates Z: 38 36.210 2.226 1.052 0.463 0.919 0.595 CB 1.473 38 residues pruned to eliminate duplicates Z: 7 7.392 1.790 1.162 0.351 0.667 0.500 O 1.374 7 residues pruned to eliminate duplicates Z: 38 32.499 2.204 1.038 0.449 0.919 0.514 CB 1.363 38 residues pruned to eliminate duplicates Z: 30 28.113 2.174 0.912 0.463 0.862 0.483 CB 1.513 30 residues pruned to eliminate duplicates Z: 45 32.316 2.212 0.826 0.429 0.841 0.568 CB 1.543 45 residues pruned to eliminate duplicates Z: 40 37.397 2.207 1.059 0.438 0.897 0.513 CB 1.566 51 residues pruned to eliminate duplicates Z: 37 44.006 2.261 1.112 0.484 0.944 0.639 CB 1.652 233 residues pruned to eliminate duplicates Z: 6 8.196 1.863 0.637 0.415 1.000 0.800 CA 1.313 6 residues pruned to eliminate duplicates Z: 74 50.307 2.295 0.938 0.469 0.863 0.603 CB 1.583 82 residues pruned to eliminate duplicates Z: 21 37.779 2.324 1.101 0.541 0.950 0.600 CB 1.748 21 residues pruned to eliminate duplicates Z: 26 34.114 2.271 1.139 0.404 0.840 0.520 CA 1.850 26 residues pruned to eliminate duplicates Z: 21 33.326 2.316 1.160 0.467 0.900 0.600 CB 1.712 21 residues pruned to eliminate duplicates Z: 37 38.276 2.267 1.030 0.485 0.917 0.556 CB 1.535 37 residues pruned to eliminate duplicates Z: 21 34.352 2.306 1.225 0.461 0.900 0.500 CA 1.730 21 residues pruned to eliminate duplicates Z: 22 37.300 2.361 1.248 0.460 0.857 0.524 CB 1.865 22 residues pruned to eliminate duplicates Z: 26 29.701 2.286 1.093 0.366 0.840 0.360 CB 1.705 26 residues pruned to eliminate duplicates Z: 25 31.321 2.224 1.108 0.409 0.875 0.458 CA 1.714 25 residues pruned to eliminate duplicates Z: 23 29.827 2.288 1.301 0.453 0.909 0.500 CB 1.394 23 residues pruned to eliminate duplicates Z: 23 35.949 2.272 1.128 0.475 0.909 0.636 CA 1.788 23 residues pruned to eliminate duplicates Z: 14 10.339 1.935 0.646 0.334 0.769 0.462 CB 1.403 14 residues pruned to eliminate duplicates Z: 23 29.919 2.284 1.122 0.453 0.909 0.545 CB 1.519 23 residues pruned to eliminate duplicates Z: 22 29.657 2.314 1.115 0.417 0.857 0.476 CB 1.683 22 residues pruned to eliminate duplicates Z: 23 36.593 2.332 1.215 0.485 0.864 0.500 CB 1.775 23 residues pruned to eliminate duplicates Z: 22 22.666 2.096 0.936 0.378 0.857 0.429 CB 1.620 22 residues pruned to eliminate duplicates Z: 42 34.628 2.214 0.917 0.486 0.854 0.561 CB 1.514 42 residues pruned to eliminate duplicates Z: 23 39.768 2.316 1.192 0.535 0.909 0.636 CB 1.775 23 residues pruned to eliminate duplicates Z: 27 30.004 2.323 1.069 0.468 0.769 0.500 CB 1.645 27 residues pruned to eliminate duplicates Z: 12 10.137 2.082 0.819 0.423 0.545 0.545 CA 1.602 12 residues pruned to eliminate duplicates Z: 11 10.795 2.227 0.739 0.286 0.600 0.300 CB 1.869 11 residues pruned to eliminate duplicates Z: 68 54.665 2.317 1.006 0.514 0.851 0.507 CB 1.665 68 residues pruned to eliminate duplicates Z: 58 44.518 2.336 0.860 0.462 0.877 0.474 CB 1.609 58 residues pruned to eliminate duplicates Z: 19 20.124 2.239 0.812 0.660 0.722 0.278 CB 1.396 19 residues pruned to eliminate duplicates Z: 61 44.698 2.356 0.828 0.469 0.833 0.533 CB 1.659 61 residues pruned to eliminate duplicates Z: 78 56.711 2.333 0.942 0.450 0.870 0.455 CB 1.727 86 residues pruned to eliminate duplicates Z: 22 24.437 2.255 0.820 0.645 0.810 0.524 CB 1.403 22 residues pruned to eliminate duplicates Z: 83 61.184 2.287 1.049 0.529 0.902 0.500 CB 1.553 83 residues pruned to eliminate duplicates Z: 50 36.696 2.306 0.891 0.476 0.796 0.531 CB 1.548 50 residues pruned to eliminate duplicates Z: 22 34.502 2.360 0.974 0.572 0.905 0.429 CB 1.666 22 residues pruned to eliminate duplicates Z: 53 44.541 2.339 0.850 0.517 0.885 0.500 CB 1.586 53 residues pruned to eliminate duplicates Z: 85 61.031 2.317 0.969 0.540 0.881 0.595 CB 1.592 85 residues pruned to eliminate duplicates Z: 62 51.148 2.278 1.035 0.500 0.885 0.492 CB 1.596 62 residues pruned to eliminate duplicates Z: 33 32.549 2.310 0.726 0.566 0.844 0.594 CB 1.604 33 residues pruned to eliminate duplicates Z: 52 52.326 2.362 1.024 0.522 0.882 0.549 CB 1.700 52 residues pruned to eliminate duplicates Z: 38 44.444 2.339 1.042 0.531 0.919 0.541 CB 1.616 38 residues pruned to eliminate duplicates Z: 69 51.405 2.350 1.013 0.443 0.824 0.426 CB 1.696 69 residues pruned to eliminate duplicates Z: 72 57.286 2.373 1.021 0.520 0.845 0.465 CB 1.644 72 residues pruned to eliminate duplicates Z: 85 58.448 2.273 1.031 0.506 0.893 0.429 CB 1.537 85 residues pruned to eliminate duplicates Z: 53 39.491 2.272 0.986 0.451 0.788 0.500 CB 1.618 53 residues pruned to eliminate duplicates Z: 44 44.325 2.318 0.998 0.489 0.907 0.581 CB 1.628 44 residues pruned to eliminate duplicates Z: 71 58.524 2.319 0.993 0.522 0.914 0.457 CB 1.620 71 residues pruned to eliminate duplicates Z: 37 56.844 2.367 1.281 0.585 0.944 0.556 CB 1.712 37 residues pruned to eliminate duplicates Z: 52 46.232 2.336 1.073 0.479 0.824 0.373 CB 1.658 52 residues pruned to eliminate duplicates Z: 69 54.798 2.334 1.004 0.475 0.897 0.515 CB 1.624 69 residues pruned to eliminate duplicates Z: 57 45.154 2.276 1.083 0.473 0.857 0.446 CB 1.526 57 residues pruned to eliminate duplicates Z: 39 50.204 2.389 1.310 0.540 0.895 0.474 CB 1.586 39 residues pruned to eliminate duplicates Z: 70 53.443 2.348 1.022 0.476 0.855 0.522 CB 1.624 70 residues pruned to eliminate duplicates Z: 44 46.343 2.347 1.078 0.473 0.907 0.512 CB 1.642 44 residues pruned to eliminate duplicates Z: 54 41.384 2.288 1.036 0.452 0.868 0.396 CB 1.477 54 residues pruned to eliminate duplicates Z: 59 46.434 2.346 0.933 0.479 0.862 0.500 CB 1.593 59 residues pruned to eliminate duplicates Z: 44 50.445 2.338 1.052 0.526 0.953 0.395 CB 1.638 44 residues pruned to eliminate duplicates Z: 84 65.991 2.310 1.056 0.524 0.916 0.506 CB 1.628 84 residues pruned to eliminate duplicates Z: 45 47.993 2.354 1.096 0.515 0.909 0.341 CB 1.590 45 residues pruned to eliminate duplicates Z: 44 35.668 2.286 0.968 0.394 0.837 0.372 CB 1.615 44 residues pruned to eliminate duplicates Z: 69 55.562 2.254 1.108 0.515 0.912 0.500 CB 1.533 69 residues pruned to eliminate duplicates Z: 45 56.205 2.367 1.124 0.593 0.955 0.500 CB 1.615 45 residues pruned to eliminate duplicates Z: 53 51.223 2.328 1.112 0.456 0.885 0.558 CB 1.709 53 residues pruned to eliminate duplicates Z: 47 55.552 2.356 1.233 0.540 0.935 0.457 CB 1.602 47 residues pruned to eliminate duplicates Z: 57 56.150 2.364 1.096 0.514 0.911 0.554 CB 1.640 57 residues pruned to eliminate duplicates Z: 14 16.299 2.176 1.148 0.394 0.769 0.385 CB 1.407 14 residues pruned to eliminate duplicates Z: 14 15.954 2.045 1.043 0.339 0.923 0.462 CA 1.367 14 residues pruned to eliminate duplicates Z: 26 30.062 2.180 0.951 0.512 0.880 0.480 CB 1.587 26 residues pruned to eliminate duplicates Z: 84 62.247 2.318 1.127 0.524 0.867 0.458 CB 1.560 84 residues pruned to eliminate duplicates Z: 109 69.532 2.289 1.063 0.511 0.861 0.565 CB 1.627 109 residues pruned to eliminate duplicates Z: 89 58.174 2.224 1.096 0.470 0.909 0.511 CB 1.508 89 residues pruned to eliminate duplicates Z: 88 65.151 2.299 1.142 0.486 0.885 0.437 CB 1.626 88 residues pruned to eliminate duplicates Z: 26 30.138 2.211 1.055 0.495 0.840 0.480 CB 1.587 26 residues pruned to eliminate duplicates Z: 63 60.971 2.313 1.133 0.550 0.952 0.484 CB 1.571 63 residues pruned to eliminate duplicates Z: 68 61.440 2.331 1.064 0.523 0.910 0.597 CB 1.676 68 residues pruned to eliminate duplicates Z: 45 46.140 2.294 1.122 0.488 0.909 0.523 CB 1.592 45 residues pruned to eliminate duplicates Z: 85 72.445 2.305 1.200 0.584 0.917 0.548 CB 1.569 85 residues pruned to eliminate duplicates Z: 85 72.604 2.314 1.150 0.511 0.964 0.560 CB 1.633 85 residues pruned to eliminate duplicates Z: 28 25.969 2.163 0.860 0.524 0.852 0.407 CA 1.424 28 residues pruned to eliminate duplicates Z: 103 65.444 2.315 1.023 0.492 0.863 0.549 CB 1.616 103 residues pruned to eliminate duplicates Z: 59 53.890 2.299 1.112 0.515 0.914 0.500 CB 1.571 59 residues pruned to eliminate duplicates Z: 60 55.462 2.251 1.012 0.533 0.949 0.508 CB 1.626 60 residues pruned to eliminate duplicates Z: 29 27.998 2.092 0.859 0.519 0.893 0.464 CA 1.496 29 residues pruned to eliminate duplicates Z: 51 48.165 2.228 1.092 0.543 0.900 0.660 CB 1.556 51 residues pruned to eliminate duplicates Z: 127 76.325 2.317 1.032 0.510 0.873 0.508 CB 1.638 133 residues pruned to eliminate duplicates Z: 121 80.458 2.341 1.005 0.516 0.917 0.542 CB 1.679 121 residues pruned to eliminate duplicates Z: 75 55.188 2.256 1.000 0.499 0.878 0.608 CB 1.620 75 residues pruned to eliminate duplicates Z: 25 38.531 2.313 1.066 0.615 0.917 0.667 CB 1.610 25 residues pruned to eliminate duplicates Z: 24 40.126 2.372 1.061 0.640 0.913 0.739 CB 1.645 24 residues pruned to eliminate duplicates Z: 38 49.008 2.395 1.016 0.552 0.892 0.676 CB 1.778 38 residues pruned to eliminate duplicates Z: 28 37.164 2.323 1.019 0.565 0.889 0.704 CB 1.611 28 residues pruned to eliminate duplicates Z: 39 48.434 2.376 1.183 0.529 0.842 0.632 CB 1.748 39 residues pruned to eliminate duplicates Z: 105 77.610 2.301 1.096 0.553 0.913 0.635 CB 1.641 117 residues pruned to eliminate duplicates Z: 39 53.255 2.390 1.123 0.562 0.895 0.605 CB 1.792 39 residues pruned to eliminate duplicates Z: 24 42.216 2.363 1.119 0.638 0.957 0.696 CB 1.615 24 residues pruned to eliminate duplicates Z: 34 40.067 2.319 0.953 0.565 0.909 0.697 CB 1.590 34 residues pruned to eliminate duplicates Z: 100 77.625 2.348 1.119 0.550 0.909 0.545 CB 1.642 100 residues pruned to eliminate duplicates Z: 24 42.600 2.386 1.099 0.649 0.957 0.783 CB 1.613 24 residues pruned to eliminate duplicates Z: 25 40.561 2.313 1.091 0.628 0.958 0.750 CB 1.583 25 residues pruned to eliminate duplicates Z: 30 39.871 2.363 1.052 0.549 0.897 0.655 CB 1.623 30 residues pruned to eliminate duplicates Z: 38 56.622 2.392 1.161 0.580 0.946 0.676 CB 1.763 38 residues pruned to eliminate duplicates Z: 41 48.362 2.354 1.000 0.547 0.900 0.575 CB 1.722 41 residues pruned to eliminate duplicates Z: 106 74.553 2.319 0.966 0.525 0.924 0.638 CB 1.685 106 residues pruned to eliminate duplicates Z: 40 53.310 2.373 1.149 0.565 0.923 0.590 CB 1.702 40 residues pruned to eliminate duplicates Z: 30 38.878 2.378 0.991 0.555 0.862 0.655 CB 1.677 30 residues pruned to eliminate duplicates Z: 38 57.359 2.414 1.129 0.572 0.973 0.595 CB 1.759 38 residues pruned to eliminate duplicates Z: 39 52.824 2.398 1.086 0.584 0.895 0.632 CB 1.766 39 residues pruned to eliminate duplicates Z: 117 70.403 2.273 1.015 0.512 0.888 0.578 CB 1.589 117 residues pruned to eliminate duplicates Z: 87 72.618 2.305 1.127 0.566 0.919 0.512 CB 1.631 87 residues pruned to eliminate duplicates Z: 29 33.474 2.342 0.869 0.565 0.857 0.679 CB 1.583 29 residues pruned to eliminate duplicates Z: 45 36.858 2.297 0.970 0.494 0.818 0.523 CB 1.510 45 residues pruned to eliminate duplicates Z: 49 48.268 2.299 1.014 0.520 0.875 0.583 CB 1.686 49 residues pruned to eliminate duplicates Z: 9 11.266 2.263 0.596 0.279 0.750 0.375 CA 1.888 9 residues pruned to eliminate duplicates Z: 17 21.515 2.172 0.866 0.493 0.812 0.500 CA 1.644 17 residues pruned to eliminate duplicates Z: 40 51.143 2.328 0.938 0.566 0.949 0.667 CB 1.795 40 residues pruned to eliminate duplicates Z: 46 50.646 2.276 1.156 0.541 0.867 0.511 CB 1.705 46 residues pruned to eliminate duplicates Z: 40 46.368 2.301 0.916 0.616 0.872 0.564 CB 1.731 40 residues pruned to eliminate duplicates Z: 20 27.868 2.207 1.142 0.520 0.789 0.421 CB 1.678 20 residues pruned to eliminate duplicates Z: 16 19.387 2.242 1.127 0.523 0.667 0.333 CA 1.539 16 residues pruned to eliminate duplicates Z: 15 33.338 2.369 0.969 0.581 1.000 0.357 CA 1.767 15 residues pruned to eliminate duplicates Z: 86 67.399 2.279 1.173 0.513 0.871 0.588 CB 1.674 86 residues pruned to eliminate duplicates Z: 37 50.687 2.380 1.013 0.571 0.917 0.667 CB 1.795 37 residues pruned to eliminate duplicates Z: 30 31.199 2.254 0.776 0.442 0.931 0.586 CB 1.650 30 residues pruned to eliminate duplicates Z: 37 51.362 2.318 1.081 0.607 0.972 0.639 CB 1.648 37 residues pruned to eliminate duplicates Z: 48 34.768 2.243 0.802 0.442 0.809 0.553 CB 1.647 48 residues pruned to eliminate duplicates Z: 30 32.518 2.343 0.936 0.435 0.793 0.552 CB 1.796 30 residues pruned to eliminate duplicates Z: 24 25.218 2.271 0.716 0.394 0.870 0.478 CB 1.736 24 residues pruned to eliminate duplicates Z: 16 21.804 2.374 0.656 0.445 0.867 0.467 CB 1.748 16 residues pruned to eliminate duplicates Z: 27 16.758 2.117 0.781 0.295 0.846 0.385 CB 1.296 27 residues pruned to eliminate duplicates Z: 15 20.107 2.294 0.731 0.446 0.786 0.429 CB 1.821 15 residues pruned to eliminate duplicates Z: 17 21.729 2.254 0.886 0.459 0.875 0.500 CB 1.523 17 residues pruned to eliminate duplicates Z: 18 15.971 2.130 0.866 0.369 0.824 0.412 CB 1.362 18 residues pruned to eliminate duplicates Z: 15 20.040 2.351 0.833 0.442 0.857 0.429 CB 1.540 15 residues pruned to eliminate duplicates Z: 145 70.597 2.225 0.977 0.497 0.882 0.479 CB 1.521 145 residues pruned to eliminate duplicates Z: 17 21.226 2.287 0.786 0.388 0.938 0.438 CB 1.561 17 residues pruned to eliminate duplicates Z: 18 20.739 2.208 0.673 0.432 0.882 0.529 CB 1.656 18 residues pruned to eliminate duplicates Z: 27 22.233 2.228 0.671 0.376 0.846 0.462 CB 1.580 27 residues pruned to eliminate duplicates Z: 16 18.538 2.306 0.757 0.385 0.867 0.533 CB 1.541 16 residues pruned to eliminate duplicates Z: 54 48.399 2.318 0.898 0.499 0.925 0.604 CB 1.636 54 residues pruned to eliminate duplicates Z: 16 19.787 2.321 0.779 0.476 0.867 0.400 CB 1.462 16 residues pruned to eliminate duplicates Z: 8 12.556 2.255 0.838 0.334 0.857 0.571 CB 1.602 8 residues pruned to eliminate duplicates Z: 18 18.362 2.133 0.905 0.460 0.824 0.471 CB 1.387 17 residues pruned to eliminate duplicates Z: 7 6.855 1.816 0.699 0.453 0.833 0.333 CB 1.143 7 residues pruned to eliminate duplicates Z: 22 15.986 2.129 0.629 0.445 0.810 0.476 CB 1.316 22 residues pruned to eliminate duplicates Z: 18 19.807 2.201 0.819 0.441 0.882 0.471 CB 1.446 18 residues pruned to eliminate duplicates Z: 18 17.847 2.176 0.771 0.411 0.882 0.529 CB 1.397 18 residues pruned to eliminate duplicates Z: 17 20.964 2.265 0.857 0.467 0.875 0.500 CB 1.473 24 residues pruned to eliminate duplicates Z: 6 2.699 1.361 0.440 0.265 1.000 0.200 CA 0.806 6 residues pruned to eliminate duplicates Z: 17 17.889 2.240 0.578 0.487 0.875 0.625 CB 1.465 17 residues pruned to eliminate duplicates Z: 21 18.945 2.083 0.716 0.412 0.800 0.450 CB 1.626 21 residues pruned to eliminate duplicates Z: 19 31.581 2.305 1.054 0.554 0.833 0.500 CB 1.789 19 residues pruned to eliminate duplicates Z: 102 60.892 2.265 0.940 0.487 0.871 0.545 CB 1.603 102 residues pruned to eliminate duplicates Z: 36 35.506 2.216 1.000 0.482 0.886 0.629 CB 1.557 36 residues pruned to eliminate duplicates Z: 29 33.966 2.228 1.122 0.453 0.893 0.571 CB 1.596 29 residues pruned to eliminate duplicates Z: 38 37.293 2.256 1.091 0.446 0.919 0.595 CB 1.495 38 residues pruned to eliminate duplicates Z: 28 31.514 2.250 1.166 0.419 0.815 0.519 CB 1.663 28 residues pruned to eliminate duplicates Z: 44 35.840 2.264 0.998 0.436 0.860 0.512 CB 1.500 44 residues pruned to eliminate duplicates Z: 29 31.152 2.234 1.062 0.389 0.821 0.500 CB 1.750 29 residues pruned to eliminate duplicates Z: 19 39.364 2.399 1.333 0.507 0.889 0.500 CB 1.852 19 residues pruned to eliminate duplicates Z: 38 28.468 2.125 0.995 0.414 0.811 0.486 CB 1.490 38 residues pruned to eliminate duplicates Z: 39 28.969 2.126 0.945 0.390 0.868 0.579 CB 1.469 39 residues pruned to eliminate duplicates Z: 102 56.814 2.247 0.916 0.464 0.871 0.554 CB 1.563 102 residues pruned to eliminate duplicates Z: 30 25.439 2.262 1.082 0.454 0.690 0.448 CB 1.524 30 residues pruned to eliminate duplicates Z: 33 27.201 2.277 0.933 0.370 0.812 0.438 CB 1.545 33 residues pruned to eliminate duplicates Z: 46 26.986 2.202 0.834 0.371 0.822 0.422 CB 1.390 46 residues pruned to eliminate duplicates Z: 41 32.113 2.231 0.958 0.446 0.775 0.525 CB 1.584 41 residues pruned to eliminate duplicates Z: 28 35.246 2.251 1.109 0.453 0.852 0.556 CB 1.759 28 residues pruned to eliminate duplicates Z: 38 41.438 2.320 0.984 0.544 0.811 0.595 CA 1.748 38 residues pruned to eliminate duplicates Z: 30 30.710 2.208 1.087 0.465 0.828 0.621 CB 1.549 30 residues pruned to eliminate duplicates Z: 51 43.960 2.318 0.875 0.495 0.840 0.540 CB 1.710 51 residues pruned to eliminate duplicates Z: 76 60.391 2.332 1.083 0.458 0.880 0.440 CB 1.702 76 residues pruned to eliminate duplicates Z: 64 54.469 2.358 0.982 0.476 0.873 0.619 CB 1.723 64 residues pruned to eliminate duplicates Z: 68 55.692 2.271 0.977 0.494 0.910 0.567 CB 1.675 68 residues pruned to eliminate duplicates Z: 59 54.968 2.379 0.955 0.480 0.931 0.586 CB 1.700 59 residues pruned to eliminate duplicates Z: 53 53.582 2.364 1.072 0.456 0.923 0.500 CB 1.720 53 residues pruned to eliminate duplicates Z: 70 52.693 2.239 0.971 0.501 0.899 0.478 CB 1.598 70 residues pruned to eliminate duplicates Z: 65 51.563 2.308 1.067 0.452 0.844 0.500 CB 1.682 65 residues pruned to eliminate duplicates Z: 116 65.016 2.216 0.971 0.502 0.870 0.513 CB 1.593 116 residues pruned to eliminate duplicates Z: 123 63.409 2.207 0.912 0.483 0.877 0.574 CB 1.578 123 residues pruned to eliminate duplicates Z: 65 58.800 2.401 1.132 0.463 0.875 0.516 CB 1.704 65 residues pruned to eliminate duplicates Z: 53 53.645 2.399 1.147 0.498 0.846 0.423 CB 1.711 53 residues pruned to eliminate duplicates Z: 40 54.834 2.406 1.115 0.527 0.974 0.410 CB 1.725 40 residues pruned to eliminate duplicates Z: 99 55.508 2.206 0.921 0.463 0.857 0.500 CB 1.603 99 residues pruned to eliminate duplicates Z: 51 51.845 2.296 1.045 0.499 0.920 0.520 CB 1.698 51 residues pruned to eliminate duplicates Z: 56 44.322 2.285 0.941 0.488 0.891 0.473 CB 1.531 56 residues pruned to eliminate duplicates Z: 81 53.256 2.154 1.083 0.508 0.875 0.538 CB 1.505 81 residues pruned to eliminate duplicates Z: 77 57.198 2.329 1.037 0.479 0.868 0.579 CB 1.627 77 residues pruned to eliminate duplicates Z: 52 44.986 2.368 0.995 0.511 0.804 0.451 CB 1.641 52 residues pruned to eliminate duplicates Z: 119 59.918 2.200 0.953 0.463 0.890 0.500 CB 1.499 119 residues pruned to eliminate duplicates Z: 78 57.150 2.333 1.040 0.456 0.883 0.429 CB 1.621 78 residues pruned to eliminate duplicates Z: 36 54.561 2.357 1.216 0.572 0.914 0.429 CB 1.801 36 residues pruned to eliminate duplicates Z: 44 47.810 2.366 1.152 0.469 0.884 0.419 CB 1.673 44 residues pruned to eliminate duplicates Z: 60 46.371 2.296 0.997 0.491 0.831 0.458 CB 1.600 60 residues pruned to eliminate duplicates Z: 52 44.504 2.198 0.999 0.480 0.922 0.412 CB 1.571 52 residues pruned to eliminate duplicates Z: 47 46.144 2.366 1.130 0.455 0.848 0.435 CB 1.667 47 residues pruned to eliminate duplicates Z: 43 46.243 2.377 1.086 0.472 0.881 0.571 CB 1.680 43 residues pruned to eliminate duplicates Z: 75 54.310 2.281 1.161 0.429 0.838 0.500 CB 1.645 75 residues pruned to eliminate duplicates Z: 103 62.147 2.246 0.970 0.488 0.892 0.598 CB 1.578 103 residues pruned to eliminate duplicates Z: 44 48.706 2.409 1.041 0.490 0.907 0.581 CB 1.682 44 residues pruned to eliminate duplicates Z: 42 41.628 2.284 1.078 0.435 0.878 0.463 CB 1.669 42 residues pruned to eliminate duplicates Z: 47 54.935 2.422 1.181 0.521 0.870 0.435 CB 1.727 47 residues pruned to eliminate duplicates Z: 39 49.125 2.383 1.056 0.522 0.921 0.553 CB 1.729 39 residues pruned to eliminate duplicates Z: 46 47.924 2.403 1.151 0.480 0.867 0.467 CB 1.627 46 residues pruned to eliminate duplicates Z: 40 49.940 2.294 1.213 0.525 0.897 0.590 CB 1.712 40 residues pruned to eliminate duplicates Z: 117 66.159 2.234 0.981 0.501 0.871 0.534 CB 1.592 117 residues pruned to eliminate duplicates Z: 119 72.657 2.281 0.993 0.531 0.898 0.551 CB 1.590 153 residues pruned to eliminate duplicates Z: 96 60.029 2.271 0.988 0.511 0.863 0.558 CB 1.562 102 residues pruned to eliminate duplicates Z: 91 52.962 2.238 1.034 0.449 0.822 0.500 CB 1.573 91 residues pruned to eliminate duplicates Z: 57 51.490 2.302 1.163 0.463 0.929 0.518 CB 1.545 57 residues pruned to eliminate duplicates Z: 47 59.419 2.384 1.276 0.559 0.935 0.565 CB 1.632 47 residues pruned to eliminate duplicates Z: 61 52.300 2.278 1.000 0.530 0.900 0.483 CB 1.598 61 residues pruned to eliminate duplicates Z: 66 48.733 2.183 0.976 0.480 0.908 0.554 CB 1.575 Z: 9 18.897 2.139 0.999 0.774 0.750 0.375 N 1.635 9 residues pruned to eliminate duplicates Z: 62 55.288 2.271 1.156 0.537 0.869 0.574 CB 1.605 128 residues pruned to eliminate duplicates Z: 48 41.253 2.157 1.076 0.459 0.851 0.447 CB 1.646 Z: 14 22.757 2.226 1.276 0.547 0.769 0.154 CA 1.548 14 residues pruned to eliminate duplicates Z: 52 40.070 2.118 0.851 0.550 0.863 0.510 CB 1.579 29 residues pruned to eliminate duplicates Z: 7 6.694 1.842 0.579 0.376 0.833 0.667 CA 1.287 7 residues pruned to eliminate duplicates Z: 67 49.303 2.219 1.001 0.469 0.909 0.545 CB 1.552 138 residues pruned to eliminate duplicates Z: 70 58.337 2.266 1.044 0.516 0.899 0.536 CB 1.661 70 residues pruned to eliminate duplicates Z: 67 55.413 2.286 1.086 0.518 0.864 0.561 CB 1.627 67 residues pruned to eliminate duplicates Z: 85 63.670 2.273 1.129 0.495 0.893 0.548 CB 1.615 85 residues pruned to eliminate duplicates Z: 94 56.780 2.189 0.974 0.521 0.882 0.516 CB 1.514 94 residues pruned to eliminate duplicates Z: 91 59.906 2.286 1.089 0.479 0.867 0.500 CB 1.559 91 residues pruned to eliminate duplicates Z: 100 57.183 2.255 1.029 0.495 0.818 0.475 CB 1.543 100 residues pruned to eliminate duplicates Z: 64 59.105 2.244 1.175 0.530 0.921 0.524 CB 1.609 64 residues pruned to eliminate duplicates Z: 51 33.189 2.074 0.817 0.491 0.900 0.560 CB 1.396 5 residues pruned to eliminate duplicates Z: 10 16.741 1.796 0.772 0.625 1.000 0.556 CA 1.559 10 residues pruned to eliminate duplicates Z: 67 55.248 2.225 1.106 0.502 0.909 0.500 CB 1.593 119 residues pruned to eliminate duplicates Z: 91 66.508 2.233 1.000 0.528 0.944 0.578 CB 1.617 91 residues pruned to eliminate duplicates Z: 67 48.258 2.254 1.117 0.488 0.803 0.409 CB 1.568 67 residues pruned to eliminate duplicates Z: 64 57.094 2.247 1.029 0.528 0.921 0.492 CB 1.668 64 residues pruned to eliminate duplicates Z: 124 77.085 2.260 1.075 0.510 0.911 0.545 CB 1.612 124 residues pruned to eliminate duplicates Z: 83 62.571 2.235 1.041 0.539 0.939 0.573 CB 1.552 83 residues pruned to eliminate duplicates Z: 94 66.625 2.230 1.072 0.543 0.914 0.559 CB 1.569 110 residues pruned to eliminate duplicates Z: 25 30.116 2.188 0.868 0.597 0.875 0.500 CB 1.567 Z: 16 26.500 2.226 0.736 0.873 0.867 0.733 CB 1.487 17 residues pruned to eliminate duplicates Z: 16 31.827 2.214 0.711 0.913 1.000 0.667 CA 1.536 16 residues pruned to eliminate duplicates Z: 15 27.648 2.249 0.638 0.888 1.000 0.857 CA 1.445 15 residues pruned to eliminate duplicates Z: 42 38.166 2.083 0.873 0.579 0.976 0.610 CB 1.451 24 residues pruned to eliminate duplicates Z: 13 33.583 2.409 0.864 0.896 0.917 0.833 CA 1.687 13 residues pruned to eliminate duplicates Z: 25 25.698 2.131 0.823 0.562 0.875 0.667 CB 1.453 25 residues pruned to eliminate duplicates Z: 26 27.117 2.059 0.949 0.599 0.880 0.600 CB 1.398 26 residues pruned to eliminate duplicates Z: 128 76.997 2.247 1.069 0.514 0.913 0.567 CB 1.587 170 residues pruned to eliminate duplicates Z: 27 31.694 2.256 0.843 0.590 0.846 0.654 CB 1.620 Z: 15 36.288 2.344 0.929 0.905 0.929 0.786 CA 1.644 15 residues pruned to eliminate duplicates Z: 17 31.834 2.133 1.193 0.883 0.938 0.812 CB 1.312 16 residues pruned to eliminate duplicates Z: 17 26.450 2.161 0.854 0.742 0.938 0.688 CA 1.417 17 residues pruned to eliminate duplicates Z: 89 59.120 2.248 1.007 0.497 0.875 0.580 CB 1.600 117 residues pruned to eliminate duplicates Z: 91 66.840 2.279 1.076 0.527 0.900 0.611 CB 1.611 91 residues pruned to eliminate duplicates Z: 53 35.600 2.040 0.972 0.503 0.865 0.538 CB 1.414 22 residues pruned to eliminate duplicates Z: 6 3.008 1.305 0.939 0.451 0.600 0.400 CA 0.932 6 residues pruned to eliminate duplicates Z: 69 50.980 2.198 0.989 0.523 0.868 0.618 CB 1.593 47 residues pruned to eliminate duplicates Z: 6 2.250 1.800 0.599 0.192 0.800 0.400 CB 0.632 Z: 6 8.284 1.795 1.228 0.311 0.800 0.800 CA 1.428 5 residues pruned to eliminate duplicates Z: 6 9.415 1.821 0.871 0.367 1.000 0.200 CA 1.425 Z: 6 7.075 1.728 0.207 0.536 1.000 0.400 CB 1.463 Z: 13 23.043 1.940 0.763 0.864 1.000 0.750 CA 1.426 Z: 14 25.188 1.875 0.880 0.823 1.000 0.769 CA 1.497 13 residues pruned to eliminate duplicates Z: 13 27.115 2.044 0.663 0.867 1.000 0.833 CA 1.685 14 residues pruned to eliminate duplicates Z: 12 27.332 2.052 0.893 0.850 1.000 0.818 CA 1.571 12 residues pruned to eliminate duplicates Z: 42 34.889 2.197 0.797 0.526 0.927 0.683 CB 1.451 41 residues pruned to eliminate duplicates Z: 11 27.462 2.154 1.007 0.854 1.000 0.700 CB 1.484 11 residues pruned to eliminate duplicates Z: 32 29.878 2.165 0.886 0.598 0.903 0.581 CB 1.325 26 residues pruned to eliminate duplicates Z: 14 23.026 1.883 1.066 0.865 0.923 0.538 CB 1.303 14 residues pruned to eliminate duplicates Z: 29 29.079 2.132 0.792 0.623 0.929 0.679 CB 1.378 34 residues pruned to eliminate duplicates Z: 12 28.906 2.060 1.075 0.869 1.000 0.818 CB 1.489 12 residues pruned to eliminate duplicates Z: 12 17.945 2.148 0.992 0.446 0.818 0.636 CB 1.633 Z: 6 5.760 1.585 1.080 0.304 0.800 0.600 CB 1.214 6 residues pruned to eliminate duplicates Z: 11 18.671 2.261 0.812 0.526 1.000 0.700 CB 1.405 11 residues pruned to eliminate duplicates Z: 7 5.310 1.862 0.388 0.405 0.833 0.333 CB 1.112 7 residues pruned to eliminate duplicates Z: 16 14.433 2.068 0.664 0.322 0.867 0.467 CB 1.520 12 residues pruned to eliminate duplicates Z: 6 6.705 2.061 0.697 0.429 0.800 0.800 CA 1.154 6 residues pruned to eliminate duplicates Z: 13 16.333 2.241 0.693 0.358 1.000 0.583 CB 1.448 Z: 6 8.724 2.067 0.657 0.385 1.000 0.400 CB 1.287 6 residues pruned to eliminate duplicates Z: 17 17.573 2.224 0.592 0.316 0.938 0.625 CB 1.622 13 residues pruned to eliminate duplicates Z: 7 5.976 1.728 0.727 0.385 0.833 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 27 29.324 2.276 0.802 0.474 0.885 0.538 CB 1.628 30 residues pruned to eliminate duplicates Z: 6 6.017 1.878 0.736 0.185 0.800 0.600 CA 1.506 6 residues pruned to eliminate duplicates Z: 19 20.357 2.176 0.769 0.442 0.833 0.500 CB 1.587 13 residues pruned to eliminate duplicates Z: 6 6.196 1.768 0.383 0.353 1.000 0.600 N 1.329 6 residues pruned to eliminate duplicates Z: 20 19.101 2.107 0.823 0.376 0.895 0.421 CB 1.456 20 residues pruned to eliminate duplicates Z: 16 19.887 2.223 1.119 0.448 0.867 0.600 CB 1.327 18 residues pruned to eliminate duplicates Z: 7 6.735 2.111 0.271 0.448 0.833 0.667 CA 1.297 7 residues pruned to eliminate duplicates Z: 18 22.141 2.187 0.949 0.353 0.941 0.529 CB 1.569 17 residues pruned to eliminate duplicates Z: 7 6.561 1.873 0.556 0.314 0.833 0.667 CB 1.354 Z: 7 11.285 2.182 0.871 0.323 1.000 0.333 CA 1.370 7 residues pruned to eliminate duplicates Z: 7 3.934 1.757 0.820 0.233 0.667 0.167 CB 1.027 5 residues pruned to eliminate duplicates Z: 7 7.480 2.101 0.561 0.281 0.833 0.500 CB 1.430 7 residues pruned to eliminate duplicates Z: 6 6.042 1.663 0.738 0.358 1.000 0.400 CA 1.090 4 residues pruned to eliminate duplicates Z: 8 8.008 1.755 0.767 0.478 1.000 0.857 CA 0.998 8 residues pruned to eliminate duplicates Z: 6 6.947 1.761 1.323 0.341 1.000 0.800 CA 0.903 4 residues pruned to eliminate duplicates Z: 6 4.146 1.776 0.991 0.328 0.800 0.400 CA 0.792 5 residues pruned to eliminate duplicates Z: 6 3.971 1.440 0.517 0.292 0.800 0.600 O 1.284 Z: 6 6.105 1.775 0.871 0.349 1.000 0.600 CB 0.969 Z: 7 7.760 1.490 1.069 0.462 1.000 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 8 8.004 1.938 0.549 0.524 0.857 0.571 CB 1.149 6 residues pruned to eliminate duplicates Z: 19 37.054 2.526 0.815 0.685 0.889 0.556 CA 1.808 Z: 16 47.151 2.647 0.890 0.812 1.000 0.667 CA 1.855 18 residues pruned to eliminate duplicates Z: 16 45.057 2.609 0.765 0.866 1.000 0.667 CA 1.849 16 residues pruned to eliminate duplicates Z: 60 51.449 2.320 0.873 0.533 0.881 0.576 CB 1.694 34 residues pruned to eliminate duplicates Z: 16 46.062 2.631 0.908 0.816 0.867 0.533 CA 2.078 16 residues pruned to eliminate duplicates Z: 28 39.862 2.481 0.836 0.545 0.926 0.630 CB 1.741 28 residues pruned to eliminate duplicates Z: 63 53.850 2.407 0.956 0.478 0.871 0.613 CB 1.706 66 residues pruned to eliminate duplicates Z: 16 55.282 2.547 1.146 0.874 1.000 0.800 CA 1.901 16 residues pruned to eliminate duplicates Z: 59 62.528 2.445 0.979 0.550 0.931 0.534 CB 1.736 61 residues pruned to eliminate duplicates Z: 17 49.062 2.513 1.171 0.826 0.875 0.750 CB 1.938 17 residues pruned to eliminate duplicates Z: 70 59.427 2.389 0.980 0.511 0.870 0.522 CB 1.721 70 residues pruned to eliminate duplicates Z: 44 48.354 2.323 0.989 0.499 0.930 0.558 CB 1.717 44 residues pruned to eliminate duplicates Z: 37 55.742 2.492 0.980 0.549 1.000 0.722 CA 1.795 37 residues pruned to eliminate duplicates Z: 63 54.230 2.380 1.051 0.473 0.871 0.548 CB 1.666 63 residues pruned to eliminate duplicates Z: 18 55.726 2.371 1.335 0.859 1.000 0.588 CA 1.797 18 residues pruned to eliminate duplicates Z: 37 67.085 2.530 1.205 0.589 1.000 0.528 CB 1.841 37 residues pruned to eliminate duplicates Z: 114 69.094 2.283 0.953 0.507 0.894 0.496 CB 1.620 82 residues pruned to eliminate duplicates Z: 9 9.576 1.823 1.319 0.508 0.750 0.500 CA 1.060 9 residues pruned to eliminate duplicates Z: 56 59.965 2.430 1.153 0.507 0.891 0.509 CB 1.723 56 residues pruned to eliminate duplicates Z: 46 36.400 2.181 0.980 0.403 0.889 0.467 CB 1.566 46 residues pruned to eliminate duplicates Z: 40 52.470 2.408 1.176 0.527 0.923 0.513 CB 1.692 40 residues pruned to eliminate duplicates Z: 63 50.919 2.332 0.862 0.524 0.855 0.565 CB 1.700 63 residues pruned to eliminate duplicates Z: 82 61.024 2.315 0.956 0.518 0.889 0.593 CB 1.655 82 residues pruned to eliminate duplicates Z: 122 74.354 2.259 1.044 0.525 0.901 0.545 CB 1.585 236 residues pruned to eliminate duplicates Z: 23 22.727 2.375 0.911 0.375 0.909 0.500 CB 1.343 Z: 6 4.509 1.584 1.139 0.267 0.600 0.400 N 1.294 6 residues pruned to eliminate duplicates Z: 65 62.229 2.395 1.037 0.534 0.906 0.625 CB 1.701 23 residues pruned to eliminate duplicates Z: 6 6.923 1.822 0.352 0.463 1.000 0.400 CA 1.305 6 residues pruned to eliminate duplicates Z: 85 57.924 2.259 0.816 0.535 0.905 0.476 CB 1.644 57 residues pruned to eliminate duplicates Z: 7 7.074 2.078 0.633 0.378 0.667 0.333 CB 1.453 7 residues pruned to eliminate duplicates Z: 80 62.930 2.303 0.871 0.527 0.937 0.570 CA 1.709 84 residues pruned to eliminate duplicates Z: 12 31.702 2.319 1.275 0.690 0.909 0.364 CB 1.675 12 residues pruned to eliminate duplicates Z: 66 62.786 2.381 1.091 0.509 0.938 0.492 CB 1.651 65 residues pruned to eliminate duplicates Z: 12 32.581 2.394 0.979 0.776 0.909 0.364 CA 1.787 12 residues pruned to eliminate duplicates Z: 60 54.997 2.342 0.914 0.530 0.864 0.576 CB 1.793 60 residues pruned to eliminate duplicates Z: 56 55.357 2.387 0.989 0.537 0.891 0.527 CB 1.701 64 residues pruned to eliminate duplicates Z: 9 25.309 2.280 1.342 0.756 0.750 0.500 CB 1.778 9 residues pruned to eliminate duplicates Z: 61 60.592 2.363 1.047 0.554 0.900 0.467 CB 1.705 61 residues pruned to eliminate duplicates Z: 61 62.942 2.353 0.997 0.569 0.950 0.617 CB 1.703 61 residues pruned to eliminate duplicates Z: 86 64.710 2.341 1.093 0.487 0.871 0.494 CB 1.668 55 residues pruned to eliminate duplicates Z: 8 7.779 1.700 0.695 0.501 0.714 0.429 CA 1.427 8 residues pruned to eliminate duplicates Z: 95 55.559 2.183 1.009 0.450 0.872 0.489 CB 1.578 94 residues pruned to eliminate duplicates Z: 7 3.049 1.454 0.270 0.419 0.833 0.667 CA 0.880 7 residues pruned to eliminate duplicates Z: 96 63.097 2.303 1.023 0.468 0.853 0.442 CB 1.684 210 residues pruned to eliminate duplicates Z: 44 40.342 2.228 0.950 0.458 0.907 0.512 CB 1.629 Z: 9 14.196 1.849 0.729 0.787 0.875 0.625 CB 1.394 9 residues pruned to eliminate duplicates Z: 26 39.675 2.241 1.036 0.612 0.920 0.480 CB 1.700 26 residues pruned to eliminate duplicates Z: 9 19.142 1.775 0.932 0.828 1.000 0.500 CA 1.487 9 residues pruned to eliminate duplicates Z: 88 69.969 2.299 1.103 0.518 0.920 0.598 CB 1.658 44 residues pruned to eliminate duplicates Z: 8 16.115 1.954 0.701 0.740 0.857 0.429 CB 1.724 8 residues pruned to eliminate duplicates Z: 70 50.408 2.202 1.000 0.452 0.884 0.565 CB 1.637 64 residues pruned to eliminate duplicates Z: 14 20.715 2.166 0.652 0.821 0.923 0.769 CA 1.317 14 residues pruned to eliminate duplicates Z: 98 59.304 2.208 0.890 0.486 0.897 0.505 CB 1.631 101 residues pruned to eliminate duplicates Z: 12 25.877 2.274 0.733 0.856 1.000 0.909 CA 1.460 12 residues pruned to eliminate duplicates Z: 24 33.361 2.115 0.860 0.617 1.000 0.565 CA 1.583 24 residues pruned to eliminate duplicates Z: 30 25.711 2.061 0.791 0.534 0.862 0.586 CB 1.451 30 residues pruned to eliminate duplicates Z: 51 28.075 2.033 0.693 0.461 0.800 0.620 CB 1.500 33 residues pruned to eliminate duplicates Z: 16 21.459 2.100 0.720 0.784 0.933 0.867 CA 1.280 16 residues pruned to eliminate duplicates Z: 24 30.648 2.150 0.872 0.610 0.913 0.565 CB 1.567 24 residues pruned to eliminate duplicates Z: 28 27.712 2.130 0.757 0.575 0.889 0.593 CB 1.491 28 residues pruned to eliminate duplicates Z: 24 36.677 2.134 0.950 0.634 1.000 0.739 CB 1.620 24 residues pruned to eliminate duplicates Z: 23 35.831 2.177 0.941 0.678 0.955 0.727 CB 1.608 23 residues pruned to eliminate duplicates Z: 24 35.309 2.132 0.804 0.639 1.000 0.609 CA 1.680 24 residues pruned to eliminate duplicates Z: 23 33.590 2.125 0.872 0.636 1.000 0.636 CA 1.584 23 residues pruned to eliminate duplicates Z: 24 35.134 2.150 1.061 0.677 0.913 0.696 CB 1.539 24 residues pruned to eliminate duplicates Z: 46 40.010 2.185 0.875 0.538 0.889 0.600 CB 1.578 46 residues pruned to eliminate duplicates Z: 6 4.893 1.830 0.172 0.305 1.000 0.600 CB 1.267 6 residues pruned to eliminate duplicates Z: 30 29.592 2.083 0.825 0.575 0.931 0.655 CB 1.444 30 residues pruned to eliminate duplicates Z: 29 31.353 2.078 0.964 0.584 0.893 0.643 CB 1.501 29 residues pruned to eliminate duplicates Z: 25 19.239 1.988 0.997 0.562 0.833 0.542 CB 1.118 25 residues pruned to eliminate duplicates Z: 27 29.269 2.033 0.857 0.618 0.923 0.731 CB 1.473 27 residues pruned to eliminate duplicates Z: 25 33.679 2.106 0.903 0.598 0.958 0.625 CB 1.631 25 residues pruned to eliminate duplicates Z: 30 28.939 2.030 0.768 0.554 0.931 0.690 CB 1.526 30 residues pruned to eliminate duplicates Z: 28 24.917 2.069 0.681 0.531 0.926 0.593 CB 1.445 28 residues pruned to eliminate duplicates Z: 11 7.014 1.622 0.346 0.365 1.000 0.500 CB 1.175 Z: 12 27.702 2.121 1.052 0.846 1.000 0.727 CA 1.425 12 residues pruned to eliminate duplicates Z: 30 36.005 2.357 0.902 0.595 0.862 0.655 CB 1.580 30 residues pruned to eliminate duplicates Z: 13 24.951 2.334 0.988 0.607 0.833 0.667 CA 1.682 13 residues pruned to eliminate duplicates Z: 32 27.382 2.318 0.742 0.428 0.839 0.581 CB 1.564 32 residues pruned to eliminate duplicates Z: 15 25.407 2.392 1.086 0.593 0.786 0.357 CA 1.585 15 residues pruned to eliminate duplicates Z: 45 40.937 2.400 0.764 0.505 0.886 0.568 CB 1.636 45 residues pruned to eliminate duplicates Z: 44 40.493 2.304 0.866 0.500 0.907 0.605 CB 1.583 44 residues pruned to eliminate duplicates Z: 37 43.656 2.306 1.149 0.583 0.889 0.556 CB 1.525 37 residues pruned to eliminate duplicates Z: 14 27.187 2.302 1.257 0.621 0.923 0.538 CB 1.402 14 residues pruned to eliminate duplicates Z: 27 19.736 2.093 0.863 0.357 0.846 0.269 CB 1.369 27 residues pruned to eliminate duplicates Z: 44 32.836 2.133 0.893 0.539 0.930 0.465 CB 1.283 44 residues pruned to eliminate duplicates Z: 30 27.455 2.172 0.858 0.511 0.931 0.483 CB 1.342 30 residues pruned to eliminate duplicates Z: 10 13.900 2.226 0.710 0.325 0.889 0.556 CB 1.660 10 residues pruned to eliminate duplicates Z: 26 14.547 2.091 0.539 0.281 0.840 0.480 CB 1.377 26 residues pruned to eliminate duplicates Z: 56 22.468 2.053 0.651 0.351 0.836 0.473 CB 1.256 55 residues pruned to eliminate duplicates Z: 6 6.168 1.941 0.779 0.270 0.800 0.200 CB 1.297 6 residues pruned to eliminate duplicates Z: 38 31.458 2.172 0.891 0.397 0.892 0.378 CB 1.574 38 residues pruned to eliminate duplicates Z: 20 12.857 2.040 0.405 0.281 0.947 0.421 CB 1.391 20 residues pruned to eliminate duplicates Z: 18 16.673 2.161 0.533 0.401 0.941 0.471 CB 1.439 18 residues pruned to eliminate duplicates Z: 17 19.267 2.229 0.641 0.401 0.938 0.500 CB 1.559 17 residues pruned to eliminate duplicates Z: 14 17.142 2.320 0.467 0.375 1.000 0.692 CB 1.595 14 residues pruned to eliminate duplicates Z: 33 20.699 1.993 0.702 0.448 0.875 0.469 CB 1.301 33 residues pruned to eliminate duplicates Z: 17 19.430 2.191 0.648 0.393 1.000 0.562 CB 1.506 17 residues pruned to eliminate duplicates Z: 6 3.006 1.676 0.256 0.255 0.800 0.400 CA 1.057 6 residues pruned to eliminate duplicates Z: 17 18.560 2.191 0.641 0.411 0.938 0.375 CB 1.511 17 residues pruned to eliminate duplicates Z: 6 4.417 1.717 0.380 0.232 0.800 0.400 CB 1.424 6 residues pruned to eliminate duplicates Z: 41 30.005 2.162 0.909 0.402 0.850 0.500 CB 1.499 41 residues pruned to eliminate duplicates Z: 19 14.025 2.165 0.757 0.294 0.778 0.556 CB 1.407 19 residues pruned to eliminate duplicates Z: 18 17.842 2.330 0.679 0.363 0.882 0.471 CB 1.453 18 residues pruned to eliminate duplicates Z: 40 33.709 2.276 0.772 0.434 0.872 0.487 CB 1.644 40 residues pruned to eliminate duplicates Z: 19 16.643 2.259 0.668 0.414 0.833 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 42 31.128 2.296 0.806 0.378 0.854 0.610 CB 1.564 42 residues pruned to eliminate duplicates Z: 89 57.322 2.357 0.910 0.441 0.841 0.545 CB 1.715 89 residues pruned to eliminate duplicates Z: 17 17.114 2.325 0.621 0.359 0.875 0.500 CB 1.510 17 residues pruned to eliminate duplicates Z: 17 13.392 2.350 0.545 0.337 0.812 0.500 CB 1.355 17 residues pruned to eliminate duplicates Z: 17 12.391 2.306 0.478 0.329 0.812 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 26 25.347 2.142 0.895 0.448 0.880 0.640 CB 1.497 26 residues pruned to eliminate duplicates Z: 24 30.206 2.242 0.761 0.551 0.913 0.652 CB 1.662 24 residues pruned to eliminate duplicates Z: 30 26.104 2.141 0.702 0.469 0.862 0.552 CB 1.592 30 residues pruned to eliminate duplicates Z: 21 37.456 2.296 1.081 0.527 0.950 0.550 CB 1.796 21 residues pruned to eliminate duplicates Z: 27 29.385 2.258 0.882 0.439 0.885 0.538 CB 1.633 27 residues pruned to eliminate duplicates Z: 62 42.890 2.291 0.733 0.480 0.852 0.443 CB 1.656 62 residues pruned to eliminate duplicates Z: 26 28.178 2.279 0.912 0.450 0.800 0.560 CB 1.702 26 residues pruned to eliminate duplicates Z: 90 64.830 2.347 0.983 0.496 0.843 0.449 CB 1.759 97 residues pruned to eliminate duplicates Z: 25 27.278 2.210 0.953 0.449 0.917 0.625 CB 1.482 25 residues pruned to eliminate duplicates Z: 22 32.057 2.317 0.891 0.520 0.905 0.571 CB 1.730 22 residues pruned to eliminate duplicates Z: 26 33.792 2.271 1.117 0.462 0.880 0.560 CB 1.660 26 residues pruned to eliminate duplicates Z: 21 26.731 2.243 0.683 0.491 0.900 0.650 CB 1.776 21 residues pruned to eliminate duplicates Z: 22 29.387 2.279 1.038 0.455 0.857 0.619 CB 1.687 22 residues pruned to eliminate duplicates Z: 26 28.286 2.270 0.823 0.433 0.840 0.600 CB 1.744 26 residues pruned to eliminate duplicates Z: 27 23.956 2.129 0.954 0.350 0.808 0.462 CB 1.646 27 residues pruned to eliminate duplicates Z: 26 28.121 2.238 0.836 0.433 0.880 0.480 CB 1.667 26 residues pruned to eliminate duplicates Z: 33 23.293 2.242 0.720 0.406 0.781 0.500 CB 1.508 33 residues pruned to eliminate duplicates Z: 34 28.835 2.201 0.823 0.442 0.848 0.485 CB 1.565 34 residues pruned to eliminate duplicates Z: 29 27.173 2.234 0.873 0.445 0.786 0.571 CB 1.653 29 residues pruned to eliminate duplicates Z: 40 28.071 2.167 0.906 0.436 0.872 0.487 CB 1.334 40 residues pruned to eliminate duplicates Z: 82 52.218 2.286 0.992 0.436 0.840 0.519 CB 1.622 82 residues pruned to eliminate duplicates Z: 24 34.771 2.334 1.036 0.518 0.870 0.522 CB 1.724 24 residues pruned to eliminate duplicates Z: 38 28.488 2.152 0.839 0.469 0.811 0.568 CB 1.507 38 residues pruned to eliminate duplicates Z: 30 28.878 2.331 0.920 0.439 0.828 0.517 CB 1.542 30 residues pruned to eliminate duplicates Z: 93 53.209 2.305 0.849 0.468 0.826 0.500 CB 1.628 93 residues pruned to eliminate duplicates Z: 72 62.028 2.368 1.158 0.511 0.859 0.521 CB 1.659 72 residues pruned to eliminate duplicates Z: 63 65.355 2.416 1.137 0.553 0.887 0.581 CB 1.722 63 residues pruned to eliminate duplicates Z: 79 59.956 2.377 0.973 0.487 0.846 0.538 CB 1.733 79 residues pruned to eliminate duplicates Z: 77 65.074 2.370 1.109 0.477 0.895 0.618 CB 1.708 77 residues pruned to eliminate duplicates Z: 89 64.722 2.373 0.967 0.483 0.898 0.568 CB 1.674 89 residues pruned to eliminate duplicates Z: 37 54.124 2.484 1.026 0.516 0.972 0.639 CB 1.815 37 residues pruned to eliminate duplicates Z: 59 54.996 2.377 1.039 0.484 0.897 0.552 CB 1.689 59 residues pruned to eliminate duplicates Z: 48 53.212 2.408 1.016 0.523 0.872 0.489 CB 1.792 48 residues pruned to eliminate duplicates Z: 71 60.577 2.398 1.009 0.484 0.843 0.529 CB 1.812 71 residues pruned to eliminate duplicates Z: 37 54.532 2.422 1.115 0.584 0.944 0.583 CB 1.733 37 residues pruned to eliminate duplicates Z: 57 50.364 2.354 1.008 0.484 0.857 0.482 CB 1.688 57 residues pruned to eliminate duplicates Z: 63 61.193 2.406 1.006 0.505 0.903 0.452 CB 1.775 63 residues pruned to eliminate duplicates Z: 46 42.179 2.293 1.017 0.530 0.844 0.533 CB 1.563 46 residues pruned to eliminate duplicates Z: 22 32.255 2.351 1.208 0.582 0.810 0.524 CB 1.548 22 residues pruned to eliminate duplicates Z: 40 47.473 2.340 1.138 0.474 0.923 0.487 CB 1.690 40 residues pruned to eliminate duplicates Z: 49 56.639 2.308 1.104 0.510 0.938 0.458 CB 1.778 49 residues pruned to eliminate duplicates Z: 77 54.035 2.351 0.944 0.498 0.816 0.526 CB 1.666 77 residues pruned to eliminate duplicates Z: 50 48.619 2.357 1.123 0.523 0.878 0.510 CB 1.547 50 residues pruned to eliminate duplicates Z: 73 64.591 2.389 1.156 0.493 0.847 0.500 CB 1.756 73 residues pruned to eliminate duplicates Z: 64 59.187 2.379 1.050 0.499 0.905 0.444 CB 1.691 64 residues pruned to eliminate duplicates Z: 54 47.988 2.383 0.918 0.442 0.925 0.528 CB 1.656 54 residues pruned to eliminate duplicates Z: 89 60.667 2.363 1.026 0.465 0.852 0.466 CB 1.642 89 residues pruned to eliminate duplicates Z: 45 47.953 2.369 1.140 0.498 0.841 0.614 CB 1.699 45 residues pruned to eliminate duplicates Z: 46 46.238 2.410 1.013 0.486 0.800 0.533 CB 1.801 46 residues pruned to eliminate duplicates Z: 62 57.413 2.376 0.949 0.501 0.885 0.492 CB 1.792 62 residues pruned to eliminate duplicates Z: 91 67.886 2.373 0.965 0.519 0.867 0.589 CB 1.738 91 residues pruned to eliminate duplicates Z: 39 51.092 2.460 1.063 0.513 0.947 0.500 CB 1.701 39 residues pruned to eliminate duplicates Z: 45 60.529 2.385 1.257 0.507 0.955 0.568 CB 1.762 45 residues pruned to eliminate duplicates Z: 37 28.918 2.214 1.012 0.329 0.806 0.500 CB 1.620 37 residues pruned to eliminate duplicates Z: 85 76.325 2.391 0.994 0.574 0.905 0.548 CB 1.798 85 residues pruned to eliminate duplicates Z: 40 42.319 2.315 1.038 0.483 0.872 0.487 CA 1.675 40 residues pruned to eliminate duplicates Z: 66 58.928 2.410 1.010 0.489 0.892 0.446 CB 1.709 66 residues pruned to eliminate duplicates Z: 90 75.695 2.397 1.130 0.535 0.888 0.539 CB 1.710 90 residues pruned to eliminate duplicates Z: 48 45.253 2.351 0.985 0.516 0.809 0.574 CB 1.723 48 residues pruned to eliminate duplicates Z: 62 67.587 2.426 1.181 0.543 0.885 0.574 CB 1.771 62 residues pruned to eliminate duplicates Z: 70 65.196 2.385 1.048 0.485 0.928 0.449 CB 1.758 70 residues pruned to eliminate duplicates Z: 48 64.025 2.417 1.190 0.531 0.936 0.574 CB 1.829 48 residues pruned to eliminate duplicates Z: 73 58.298 2.349 1.040 0.464 0.889 0.583 CB 1.673 73 residues pruned to eliminate duplicates Z: 46 51.508 2.331 1.157 0.430 0.889 0.467 CA 1.847 46 residues pruned to eliminate duplicates Z: 69 60.574 2.363 1.135 0.477 0.882 0.574 CB 1.689 69 residues pruned to eliminate duplicates Z: 53 46.998 2.344 1.113 0.432 0.865 0.462 CB 1.632 53 residues pruned to eliminate duplicates Z: 90 75.393 2.358 1.108 0.535 0.921 0.562 CB 1.686 90 residues pruned to eliminate duplicates Z: 68 62.863 2.326 1.126 0.523 0.866 0.537 CB 1.755 68 residues pruned to eliminate duplicates Z: 90 65.853 2.369 1.026 0.506 0.854 0.517 CB 1.692 90 residues pruned to eliminate duplicates Z: 89 63.866 2.376 1.052 0.500 0.818 0.500 CB 1.707 89 residues pruned to eliminate duplicates Z: 72 58.610 2.314 1.017 0.541 0.873 0.606 CB 1.640 72 residues pruned to eliminate duplicates Z: 51 54.250 2.340 1.030 0.573 0.880 0.540 CB 1.710 51 residues pruned to eliminate duplicates Z: 87 67.189 2.344 1.155 0.470 0.826 0.523 CB 1.792 87 residues pruned to eliminate duplicates Z: 29 39.761 2.341 1.093 0.520 0.821 0.500 CB 1.831 29 residues pruned to eliminate duplicates Z: 101 91.202 2.374 1.174 0.563 0.930 0.530 CB 1.788 101 residues pruned to eliminate duplicates Z: 94 77.313 2.367 1.116 0.523 0.903 0.538 CB 1.734 94 residues pruned to eliminate duplicates Z: 107 87.528 2.387 1.114 0.563 0.906 0.538 CB 1.750 107 residues pruned to eliminate duplicates Z: 84 73.020 2.371 1.113 0.547 0.880 0.578 CB 1.738 84 residues pruned to eliminate duplicates Z: 85 66.771 2.371 1.106 0.509 0.869 0.536 CB 1.663 85 residues pruned to eliminate duplicates Z: 49 60.876 2.389 1.180 0.598 0.875 0.604 CB 1.755 49 residues pruned to eliminate duplicates Z: 49 52.319 2.351 1.034 0.468 0.938 0.417 CB 1.741 49 residues pruned to eliminate duplicates Z: 62 74.193 2.421 1.181 0.543 0.951 0.492 CB 1.814 62 residues pruned to eliminate duplicates Z: 104 76.309 2.341 1.100 0.484 0.913 0.495 CB 1.704 104 residues pruned to eliminate duplicates Z: 79 76.648 2.388 1.235 0.532 0.872 0.436 CB 1.808 79 residues pruned to eliminate duplicates Z: 62 65.701 2.393 1.227 0.546 0.869 0.607 CB 1.737 62 residues pruned to eliminate duplicates Z: 84 66.467 2.345 1.116 0.490 0.880 0.506 CB 1.689 84 residues pruned to eliminate duplicates Z: 88 71.962 2.368 1.137 0.481 0.897 0.540 CB 1.733 88 residues pruned to eliminate duplicates Z: 107 78.068 2.376 1.106 0.499 0.877 0.528 CB 1.729 107 residues pruned to eliminate duplicates Z: 25 35.510 2.385 0.951 0.556 0.875 0.583 CB 1.686 25 residues pruned to eliminate duplicates Z: 27 42.308 2.282 1.094 0.623 0.923 0.538 CB 1.675 27 residues pruned to eliminate duplicates Z: 28 42.015 2.228 1.220 0.647 0.926 0.667 CB 1.539 28 residues pruned to eliminate duplicates Z: 29 37.111 2.297 1.027 0.550 0.893 0.679 CB 1.607 29 residues pruned to eliminate duplicates Z: 27 43.559 2.241 1.294 0.634 0.923 0.654 CA 1.587 27 residues pruned to eliminate duplicates Z: 107 81.850 2.364 1.182 0.508 0.906 0.575 CB 1.689 107 residues pruned to eliminate duplicates Z: 24 49.693 2.405 1.256 0.654 0.957 0.826 CB 1.731 24 residues pruned to eliminate duplicates Z: 24 49.715 2.356 1.263 0.687 0.957 0.696 CB 1.712 24 residues pruned to eliminate duplicates Z: 38 40.536 2.282 1.053 0.557 0.811 0.486 CB 1.660 38 residues pruned to eliminate duplicates Z: 24 44.841 2.366 1.217 0.631 0.957 0.739 CB 1.648 24 residues pruned to eliminate duplicates Z: 27 44.009 2.401 1.130 0.580 0.885 0.654 CB 1.766 27 residues pruned to eliminate duplicates Z: 56 44.297 2.261 1.012 0.460 0.891 0.527 CB 1.535 34 residues pruned to eliminate duplicates Z: 7 7.684 1.664 0.736 0.385 0.833 0.833 O 1.473 7 residues pruned to eliminate duplicates Z: 89 91.421 2.419 1.286 0.562 0.932 0.591 CB 1.782 89 residues pruned to eliminate duplicates Z: 50 70.336 2.398 1.251 0.617 0.939 0.653 CA 1.774 50 residues pruned to eliminate duplicates Z: 57 59.523 2.334 1.189 0.549 0.875 0.589 CB 1.696 57 residues pruned to eliminate duplicates Z: 85 85.794 2.432 1.187 0.574 0.940 0.583 CB 1.742 85 residues pruned to eliminate duplicates Z: 100 90.753 2.416 1.181 0.578 0.919 0.566 CB 1.748 100 residues pruned to eliminate duplicates Z: 97 78.982 2.387 1.143 0.537 0.896 0.531 CB 1.697 97 residues pruned to eliminate duplicates Z: 76 54.566 2.337 0.943 0.468 0.867 0.533 CB 1.654 76 residues pruned to eliminate duplicates Z: 20 22.916 2.243 0.899 0.426 0.842 0.474 CB 1.583 20 residues pruned to eliminate duplicates Z: 97 74.065 2.302 1.135 0.541 0.896 0.510 CB 1.649 97 residues pruned to eliminate duplicates Z: 11 6.702 1.830 0.690 0.231 0.800 0.600 CB 1.171 11 residues pruned to eliminate duplicates Z: 19 24.686 2.298 0.872 0.487 0.833 0.500 CB 1.644 19 residues pruned to eliminate duplicates Z: 17 27.924 2.260 0.984 0.546 0.938 0.438 CB 1.587 17 residues pruned to eliminate duplicates Z: 109 68.978 2.301 1.005 0.523 0.843 0.472 CB 1.668 109 residues pruned to eliminate duplicates Z: 22 18.922 2.174 0.666 0.440 0.762 0.333 CB 1.592 22 residues pruned to eliminate duplicates Z: 18 23.317 2.224 0.826 0.518 0.882 0.529 CB 1.550 18 residues pruned to eliminate duplicates Z: 17 23.949 2.348 0.871 0.565 0.750 0.438 CB 1.707 17 residues pruned to eliminate duplicates Z: 34 30.352 2.114 0.831 0.448 0.909 0.636 CB 1.584 34 residues pruned to eliminate duplicates Z: 18 24.617 2.194 0.827 0.548 0.882 0.471 CB 1.611 18 residues pruned to eliminate duplicates Z: 39 49.871 2.341 1.151 0.571 0.895 0.579 CB 1.676 39 residues pruned to eliminate duplicates Z: 32 27.989 2.271 0.829 0.435 0.774 0.613 CB 1.673 32 residues pruned to eliminate duplicates Z: 32 30.487 2.212 0.892 0.418 0.903 0.581 CB 1.578 32 residues pruned to eliminate duplicates Z: 30 29.510 2.180 0.922 0.459 0.862 0.621 CB 1.581 30 residues pruned to eliminate duplicates Z: 23 25.078 2.258 0.693 0.456 0.909 0.773 CB 1.610 23 residues pruned to eliminate duplicates Z: 13 20.476 2.187 0.814 0.447 0.917 0.667 CA 1.715 13 residues pruned to eliminate duplicates Z: 16 16.819 2.213 0.739 0.296 0.867 0.533 CB 1.635 16 residues pruned to eliminate duplicates Z: 16 13.832 2.052 0.742 0.393 0.800 0.600 CB 1.399 16 residues pruned to eliminate duplicates Z: 30 23.379 2.215 0.648 0.457 0.828 0.517 CB 1.501 30 residues pruned to eliminate duplicates Z: 28 31.887 2.234 0.897 0.528 0.889 0.519 CB 1.585 28 residues pruned to eliminate duplicates Z: 25 18.107 2.140 0.832 0.353 0.833 0.417 CB 1.327 25 residues pruned to eliminate duplicates Z: 21 24.030 2.330 0.722 0.414 0.900 0.400 CB 1.628 21 residues pruned to eliminate duplicates Z: 123 89.383 2.378 1.108 0.529 0.910 0.566 CB 1.724 123 residues pruned to eliminate duplicates Z: 17 12.232 2.141 0.604 0.321 0.812 0.375 CB 1.335 17 residues pruned to eliminate duplicates Z: 18 14.015 2.164 0.595 0.362 0.882 0.471 CB 1.295 18 residues pruned to eliminate duplicates Z: 16 14.492 2.195 0.738 0.378 0.800 0.400 CB 1.395 16 residues pruned to eliminate duplicates Z: 35 27.547 2.220 0.735 0.479 0.853 0.588 CB 1.469 35 residues pruned to eliminate duplicates Z: 63 45.690 2.350 0.804 0.474 0.871 0.548 CB 1.614 63 residues pruned to eliminate duplicates Z: 16 13.785 2.220 0.770 0.348 0.733 0.267 CB 1.457 16 residues pruned to eliminate duplicates Z: 15 18.907 2.277 0.777 0.401 0.929 0.286 CB 1.494 15 residues pruned to eliminate duplicates Z: 17 13.770 2.121 0.753 0.280 0.812 0.250 CB 1.461 17 residues pruned to eliminate duplicates Z: 61 45.764 2.411 0.854 0.466 0.867 0.667 CB 1.578 61 residues pruned to eliminate duplicates Z: 38 30.198 2.311 0.710 0.435 0.811 0.432 CB 1.658 38 residues pruned to eliminate duplicates Z: 22 21.574 2.246 0.609 0.439 0.857 0.429 CB 1.618 22 residues pruned to eliminate duplicates Z: 72 45.777 2.307 0.875 0.460 0.845 0.563 CB 1.548 79 residues pruned to eliminate duplicates Z: 13 24.333 2.273 0.540 0.734 0.917 0.750 CA 1.774 13 residues pruned to eliminate duplicates Z: 15 24.004 2.393 0.680 0.563 0.857 0.429 CB 1.752 15 residues pruned to eliminate duplicates Z: 44 44.202 2.410 0.831 0.528 0.884 0.651 CB 1.681 44 residues pruned to eliminate duplicates Z: 32 39.592 2.456 0.928 0.599 0.871 0.742 CB 1.569 32 residues pruned to eliminate duplicates Z: 46 48.230 2.488 0.749 0.527 0.956 0.556 CB 1.684 46 residues pruned to eliminate duplicates Z: 46 45.200 2.483 0.800 0.518 0.867 0.689 CB 1.708 46 residues pruned to eliminate duplicates Z: 35 25.495 2.257 0.655 0.398 0.882 0.529 CB 1.476 35 residues pruned to eliminate duplicates Z: 44 45.814 2.441 0.780 0.558 0.907 0.674 CB 1.676 44 residues pruned to eliminate duplicates Z: 39 38.450 2.235 1.035 0.542 0.921 0.553 CB 1.429 39 residues pruned to eliminate duplicates Z: 27 46.774 2.437 1.025 0.630 0.923 0.654 CB 1.783 27 residues pruned to eliminate duplicates Z: 46 44.460 2.423 0.809 0.520 0.911 0.600 CB 1.626 46 residues pruned to eliminate duplicates Z: 64 50.751 2.393 0.962 0.478 0.873 0.556 CB 1.594 64 residues pruned to eliminate duplicates Z: 40 49.917 2.511 0.991 0.517 0.949 0.667 CB 1.657 40 residues pruned to eliminate duplicates Z: 46 47.705 2.419 0.894 0.522 0.889 0.667 CB 1.709 46 residues pruned to eliminate duplicates Z: 44 47.828 2.490 0.962 0.552 0.837 0.674 CB 1.695 44 residues pruned to eliminate duplicates Z: 41 49.929 2.498 0.985 0.485 0.925 0.700 CB 1.748 41 residues pruned to eliminate duplicates Z: 122 61.807 2.350 0.856 0.479 0.843 0.455 CB 1.561 122 residues pruned to eliminate duplicates Z: 31 43.994 2.391 0.983 0.602 0.933 0.667 CB 1.647 31 residues pruned to eliminate duplicates Z: 48 42.380 2.369 0.893 0.515 0.830 0.553 CB 1.637 48 residues pruned to eliminate duplicates Z: 33 34.546 2.424 0.895 0.513 0.812 0.469 CB 1.615 33 residues pruned to eliminate duplicates Z: 32 41.243 2.491 1.039 0.510 0.871 0.581 CB 1.659 32 residues pruned to eliminate duplicates Z: 33 38.894 2.433 1.041 0.470 0.875 0.625 CB 1.632 33 residues pruned to eliminate duplicates Z: 31 40.533 2.472 1.054 0.554 0.900 0.567 CB 1.537 31 residues pruned to eliminate duplicates Z: 33 36.613 2.444 1.026 0.481 0.844 0.500 CB 1.580 33 residues pruned to eliminate duplicates Z: 45 50.488 2.445 0.997 0.533 0.909 0.523 CB 1.660 45 residues pruned to eliminate duplicates Z: 44 51.487 2.472 1.147 0.542 0.884 0.512 CB 1.606 44 residues pruned to eliminate duplicates Z: 47 49.358 2.450 0.954 0.536 0.913 0.326 CB 1.608 47 residues pruned to eliminate duplicates Z: 28 19.356 2.264 0.670 0.281 0.815 0.296 CA 1.548 28 residues pruned to eliminate duplicates Z: 39 53.189 2.480 1.240 0.504 0.921 0.500 CB 1.680 39 residues pruned to eliminate duplicates Z: 47 52.971 2.445 1.120 0.530 0.913 0.435 CB 1.602 47 residues pruned to eliminate duplicates Z: 44 53.658 2.475 1.143 0.558 0.884 0.581 CB 1.650 44 residues pruned to eliminate duplicates Z: 42 50.871 2.454 1.017 0.522 0.902 0.488 CB 1.741 42 residues pruned to eliminate duplicates Z: 33 37.390 2.384 0.986 0.485 0.812 0.406 CA 1.745 33 residues pruned to eliminate duplicates Z: 43 57.776 2.505 1.222 0.546 0.905 0.619 CB 1.691 43 residues pruned to eliminate duplicates Z: 42 51.511 2.424 1.021 0.500 0.927 0.561 CB 1.771 42 residues pruned to eliminate duplicates Z: 44 54.533 2.481 1.151 0.545 0.930 0.535 CB 1.603 44 residues pruned to eliminate duplicates Z: 49 43.829 2.450 0.896 0.528 0.875 0.542 CB 1.515 49 residues pruned to eliminate duplicates Z: 22 21.497 2.423 0.737 0.317 0.810 0.524 CA 1.685 22 residues pruned to eliminate duplicates Z: 34 32.895 2.381 0.898 0.474 0.879 0.364 CB 1.481 34 residues pruned to eliminate duplicates Z: 62 46.664 2.361 0.928 0.479 0.902 0.393 CB 1.487 62 residues pruned to eliminate duplicates Z: 46 52.403 2.439 1.091 0.526 0.911 0.533 CB 1.639 46 residues pruned to eliminate duplicates Z: 44 50.172 2.446 1.005 0.548 0.930 0.488 CB 1.601 44 residues pruned to eliminate duplicates Z: 31 39.386 2.314 0.878 0.564 0.933 0.633 CB 1.665 Z: 13 35.666 2.257 1.138 0.908 1.000 0.750 CA 1.516 13 residues pruned to eliminate duplicates Z: 31 35.187 2.294 0.861 0.539 0.900 0.800 CB 1.609 31 residues pruned to eliminate duplicates Z: 30 33.320 2.345 0.723 0.533 0.897 0.759 CB 1.654 30 residues pruned to eliminate duplicates Z: 30 35.584 2.353 0.831 0.572 0.966 0.724 CB 1.482 30 residues pruned to eliminate duplicates Z: 37 29.068 2.187 0.751 0.479 0.917 0.639 CB 1.411 37 residues pruned to eliminate duplicates Z: 30 38.693 2.329 0.949 0.544 0.931 0.724 CB 1.629 31 residues pruned to eliminate duplicates Z: 13 46.676 2.356 1.529 0.926 0.917 0.583 CB 1.730 13 residues pruned to eliminate duplicates Z: 31 34.075 2.311 0.886 0.541 0.900 0.533 CB 1.523 30 residues pruned to eliminate duplicates Z: 12 45.647 2.407 1.252 0.935 1.000 0.364 CB 1.769 12 residues pruned to eliminate duplicates Z: 30 37.892 2.341 0.944 0.555 0.931 0.552 CB 1.575 30 residues pruned to eliminate duplicates Z: 30 36.413 2.284 0.999 0.514 0.931 0.517 CB 1.570 30 residues pruned to eliminate duplicates Z: 41 40.141 2.315 0.948 0.525 0.850 0.550 CB 1.615 74 residues pruned to eliminate duplicates Z: 14 32.237 2.225 1.391 0.734 0.923 0.231 CB 1.476 14 residues pruned to eliminate duplicates Z: 16 21.074 2.411 0.613 0.357 0.933 0.733 CB 1.750 16 residues pruned to eliminate duplicates Z: 29 28.704 2.306 0.693 0.432 0.893 0.571 CB 1.670 29 residues pruned to eliminate duplicates Z: 30 36.386 2.302 0.980 0.574 0.931 0.448 CB 1.483 31 residues pruned to eliminate duplicates Z: 7 7.115 1.770 0.528 0.407 1.000 0.833 CB 1.184 7 residues pruned to eliminate duplicates Z: 59 40.836 2.241 0.837 0.489 0.879 0.431 CB 1.498 41 residues pruned to eliminate duplicates Z: 6 9.030 2.188 0.201 0.594 1.000 0.800 CB 1.404 6 residues pruned to eliminate duplicates Z: 28 36.373 2.373 0.863 0.580 0.963 0.444 CB 1.523 28 residues pruned to eliminate duplicates Z: 33 19.264 2.124 0.684 0.330 0.750 0.344 CB 1.530 33 residues pruned to eliminate duplicates Z: 7 12.966 2.454 0.266 0.445 1.000 0.500 CB 1.802 7 residues pruned to eliminate duplicates Z: 20 17.456 2.243 0.659 0.358 0.842 0.421 CB 1.489 20 residues pruned to eliminate duplicates 775 residues left after pruning, divided into chains as follows: A: 11 B: 8 C: 11 D: 17 E: 188 F: 74 G: 10 H: 126 I: 245 J: 55 K: 30 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.08 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.776, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.903, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 1.079, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 1.110, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 1.134, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 1.141, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 1.147, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 1.147, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 1.147, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 1.144, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5247 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1049 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 49.547 2.460 0.872 0.867 1.000 0.812 CA 1.967 B: 18 43.009 2.384 0.936 0.884 0.941 0.765 CA 1.735 18 residues pruned to eliminate duplicates C: 16 40.104 2.496 0.840 0.858 0.867 0.600 CB 1.915 16 residues pruned to eliminate duplicates D: 30 34.172 2.384 0.856 0.563 0.862 0.621 CB 1.565 E: 16 53.481 2.611 1.122 0.854 0.933 0.600 CA 1.973 17 residues pruned to eliminate duplicates F: 7 20.507 2.053 1.082 0.737 1.000 0.833 C 1.583 G: 11 50.122 2.571 1.473 0.903 1.000 0.800 CB 1.777 H: 17 46.850 2.519 0.884 0.881 1.000 0.562 CA 1.787 17 residues pruned to eliminate duplicates I: 17 52.698 2.492 0.969 0.858 1.000 0.625 CB 1.978 17 residues pruned to eliminate duplicates J: 14 45.505 2.248 1.248 0.873 1.000 0.923 CA 1.819 12 residues pruned to eliminate duplicates K: 16 44.823 2.503 1.287 0.867 0.867 0.667 CB 1.706 L: 17 49.522 2.391 1.353 0.903 0.938 0.625 CB 1.674 17 residues pruned to eliminate duplicates M: 13 23.509 1.992 0.893 0.700 1.000 0.667 CA 1.500 N: 17 47.233 2.356 1.282 0.905 1.000 0.562 CB 1.564 16 residues pruned to eliminate duplicates O: 17 49.767 2.485 1.054 0.874 0.938 0.812 CA 1.891 17 residues pruned to eliminate duplicates P: 17 28.914 2.348 0.646 0.863 0.750 0.688 CB 1.829 17 residues pruned to eliminate duplicates Q: 16 27.761 2.299 0.667 0.846 1.000 0.733 CB 1.390 R: 13 36.733 2.339 0.904 0.940 0.917 0.833 CB 1.804 13 residues pruned to eliminate duplicates S: 17 45.304 2.390 1.348 0.857 0.938 0.688 CB 1.586 17 residues pruned to eliminate duplicates T: 15 39.787 2.379 1.119 0.905 0.929 0.571 CB 1.618 16 residues pruned to eliminate duplicates U: 18 42.707 2.332 1.071 0.886 0.941 0.765 CB 1.644 18 residues pruned to eliminate duplicates V: 10 28.822 2.215 0.854 0.903 1.000 0.778 CB 1.667 W: 15 33.223 2.117 1.045 0.882 1.000 0.929 CA 1.484 X: 14 27.042 2.113 0.705 0.898 0.923 0.769 CB 1.613 14 residues pruned to eliminate duplicates Y: 17 51.403 2.468 1.190 0.857 0.938 0.750 CA 1.868 17 residues pruned to eliminate duplicates Z: 17 44.996 2.390 1.225 0.903 0.938 0.750 CB 1.609 17 residues pruned to eliminate duplicates Z: 17 49.301 2.414 1.346 0.887 0.938 0.625 CB 1.674 17 residues pruned to eliminate duplicates Z: 12 48.201 2.529 1.099 0.926 1.000 0.727 CA 1.919 13 residues pruned to eliminate duplicates Z: 16 42.704 2.331 0.899 0.885 1.000 0.733 CB 1.798 Z: 13 40.322 2.363 1.214 0.884 1.000 0.750 CA 1.608 Z: 17 17.464 2.012 0.832 0.414 0.875 0.562 CA 1.482 Z: 12 41.744 2.560 1.112 0.914 0.909 0.909 CA 1.811 12 residues pruned to eliminate duplicates Z: 17 26.856 2.159 0.639 0.887 0.875 0.688 CB 1.563 17 residues pruned to eliminate duplicates Z: 15 34.390 2.182 0.884 0.886 0.929 0.714 CB 1.736 Z: 12 46.357 2.462 1.260 0.928 1.000 1.000 CA 1.759 12 residues pruned to eliminate duplicates Z: 15 49.311 2.621 0.923 0.848 0.929 0.571 CA 2.089 15 residues pruned to eliminate duplicates Z: 11 31.875 2.384 0.729 0.902 1.000 1.000 CB 1.745 11 residues pruned to eliminate duplicates Z: 17 32.884 2.218 0.719 0.852 0.938 0.750 CB 1.701 16 residues pruned to eliminate duplicates Z: 13 50.046 2.318 1.318 0.910 1.000 0.917 CB 1.907 13 residues pruned to eliminate duplicates Z: 30 30.981 2.322 0.941 0.435 0.862 0.483 CB 1.583 Z: 14 42.330 2.507 1.050 0.901 0.923 0.538 CB 1.766 14 residues pruned to eliminate duplicates Z: 6 10.494 1.664 0.927 0.800 1.000 0.800 CA 1.126 Z: 16 29.321 2.248 0.562 0.887 1.000 0.867 CA 1.554 16 residues pruned to eliminate duplicates Z: 40 43.969 2.348 1.002 0.516 0.872 0.436 CB 1.691 29 residues pruned to eliminate duplicates Z: 11 32.129 2.449 1.084 0.663 0.900 0.200 CA 1.902 8 residues pruned to eliminate duplicates Z: 13 12.348 1.655 0.876 0.469 0.917 0.583 CB 1.292 Z: 16 27.388 1.870 1.101 0.858 0.933 0.600 CB 1.420 Z: 16 35.957 2.238 0.746 0.848 1.000 0.867 CA 1.763 15 residues pruned to eliminate duplicates Z: 15 28.133 2.147 1.219 0.645 0.929 0.286 CA 1.484 7 residues pruned to eliminate duplicates Z: 55 44.207 2.295 0.821 0.478 0.944 0.648 CB 1.559 41 residues pruned to eliminate duplicates Z: 12 37.403 2.279 1.049 0.921 1.000 0.909 CB 1.700 12 residues pruned to eliminate duplicates Z: 15 32.573 2.313 1.013 0.884 0.857 0.571 CB 1.576 Z: 8 10.346 2.109 0.513 0.474 0.714 0.714 CA 1.761 8 residues pruned to eliminate duplicates Z: 12 63.058 2.536 1.559 0.926 1.000 0.818 CB 2.054 12 residues pruned to eliminate duplicates Z: 68 49.500 2.276 0.995 0.475 0.881 0.522 CB 1.552 26 residues pruned to eliminate duplicates Z: 18 41.145 2.246 0.952 0.796 0.941 0.765 CA 1.866 14 residues pruned to eliminate duplicates Z: 19 44.981 2.331 0.974 0.834 1.000 0.556 CA 1.728 19 residues pruned to eliminate duplicates Z: 16 33.468 2.309 0.545 0.877 1.000 0.800 CA 1.760 16 residues pruned to eliminate duplicates Z: 17 50.483 2.390 1.129 0.888 1.000 0.875 CA 1.786 19 residues pruned to eliminate duplicates Z: 9 17.905 2.333 1.210 0.681 0.625 0.375 CA 1.663 9 residues pruned to eliminate duplicates Z: 17 38.305 2.274 0.961 0.889 0.938 0.750 CA 1.649 17 residues pruned to eliminate duplicates Z: 17 36.462 2.343 0.744 0.867 0.938 0.750 CA 1.741 17 residues pruned to eliminate duplicates Z: 15 28.252 2.355 0.907 0.882 0.857 0.643 CB 1.419 15 residues pruned to eliminate duplicates Z: 19 18.510 2.192 0.650 0.397 0.833 0.556 CB 1.613 19 residues pruned to eliminate duplicates Z: 10 45.220 2.617 1.151 0.897 1.000 0.889 CB 1.917 10 residues pruned to eliminate duplicates Z: 8 12.206 1.953 0.816 0.563 0.857 0.714 CA 1.428 Z: 6 9.316 1.956 0.432 0.714 1.000 0.600 CB 1.225 6 residues pruned to eliminate duplicates Z: 12 29.487 2.219 0.785 0.927 1.000 0.818 CB 1.573 12 residues pruned to eliminate duplicates Z: 19 25.054 2.252 0.905 0.575 0.778 0.500 CB 1.646 Z: 9 17.766 2.277 0.860 0.645 0.875 0.500 CA 1.480 Z: 17 47.698 2.342 1.006 0.886 1.000 0.688 CA 1.831 17 residues pruned to eliminate duplicates Z: 14 37.963 2.138 1.473 0.935 0.923 0.462 CB 1.503 14 residues pruned to eliminate duplicates Z: 109 70.048 2.311 0.928 0.524 0.898 0.620 CB 1.645 116 residues pruned to eliminate duplicates Z: 18 42.617 2.264 0.894 0.880 1.000 0.647 CA 1.747 18 residues pruned to eliminate duplicates Z: 14 23.113 2.095 0.603 0.812 0.923 0.769 CA 1.577 14 residues pruned to eliminate duplicates Z: 35 41.212 2.301 0.943 0.487 0.941 0.382 CB 1.703 16 residues pruned to eliminate duplicates Z: 45 25.800 2.200 0.715 0.342 0.773 0.409 CB 1.584 45 residues pruned to eliminate duplicates Z: 18 11.193 1.883 0.596 0.324 0.765 0.353 CA 1.433 18 residues pruned to eliminate duplicates Z: 16 36.831 2.322 0.801 0.879 1.000 0.667 CA 1.650 16 residues pruned to eliminate duplicates Z: 16 38.265 2.427 1.131 0.857 0.867 0.667 CA 1.625 16 residues pruned to eliminate duplicates Z: 10 9.864 1.875 1.181 0.236 0.889 0.444 CB 1.229 Z: 9 16.057 2.197 1.207 0.800 0.625 0.500 CB 1.442 9 residues pruned to eliminate duplicates Z: 12 26.917 2.119 1.044 0.869 1.000 0.818 CA 1.369 12 residues pruned to eliminate duplicates Z: 11 19.485 2.155 1.526 0.547 0.700 0.400 CA 1.545 13 residues pruned to eliminate duplicates Z: 15 34.364 2.240 0.735 0.843 1.000 0.714 CA 1.759 15 residues pruned to eliminate duplicates Z: 6 12.210 2.123 0.958 0.625 0.800 0.800 CB 1.459 6 residues pruned to eliminate duplicates Z: 11 49.760 2.487 1.276 0.936 1.000 0.800 CA 1.936 11 residues pruned to eliminate duplicates Z: 7 17.949 2.325 0.786 0.834 0.667 0.500 CB 1.985 7 residues pruned to eliminate duplicates Z: 9 13.025 2.092 0.368 0.799 0.875 0.625 CA 1.415 9 residues pruned to eliminate duplicates Z: 12 25.833 2.113 0.933 0.840 1.000 0.636 CB 1.423 12 residues pruned to eliminate duplicates Z: 16 41.211 2.292 1.158 0.864 0.933 0.533 CB 1.690 16 residues pruned to eliminate duplicates Z: 13 24.459 2.047 0.743 0.882 0.917 0.833 CA 1.562 13 residues pruned to eliminate duplicates Z: 18 24.478 2.192 1.182 0.448 0.824 0.529 CB 1.591 18 residues pruned to eliminate duplicates Z: 15 35.223 2.261 0.971 0.899 1.000 0.786 CA 1.509 Z: 15 16.705 2.045 0.963 0.334 0.857 0.429 CB 1.556 Z: 15 31.783 2.350 1.084 0.639 1.000 0.500 CA 1.522 12 residues pruned to eliminate duplicates Z: 15 32.942 2.193 0.713 0.912 1.000 0.786 CA 1.661 15 residues pruned to eliminate duplicates Z: 16 34.012 2.442 0.829 0.831 0.867 0.533 CA 1.705 16 residues pruned to eliminate duplicates Z: 13 40.192 2.259 1.266 0.911 1.000 0.917 CA 1.606 13 residues pruned to eliminate duplicates Z: 21 21.655 2.260 0.574 0.365 0.900 0.600 CB 1.750 Z: 18 41.843 2.216 1.091 0.888 1.000 0.765 CA 1.579 18 residues pruned to eliminate duplicates Z: 12 22.020 1.998 0.593 0.927 1.000 0.909 CB 1.461 12 residues pruned to eliminate duplicates Z: 13 17.123 1.880 0.484 0.892 0.917 0.917 CB 1.387 Z: 15 35.872 2.276 0.979 0.901 1.000 0.643 CB 1.519 16 residues pruned to eliminate duplicates Z: 46 50.463 2.455 1.031 0.520 0.911 0.533 CB 1.624 27 residues pruned to eliminate duplicates Z: 24 28.678 2.134 0.962 0.446 0.913 0.522 CA 1.654 12 residues pruned to eliminate duplicates Z: 15 34.815 2.334 0.787 0.874 1.000 0.643 CA 1.624 14 residues pruned to eliminate duplicates Z: 24 18.553 1.977 0.846 0.419 0.739 0.478 CA 1.559 Z: 16 33.657 2.320 0.625 0.848 1.000 0.867 CA 1.710 16 residues pruned to eliminate duplicates Z: 6 17.820 2.171 0.795 0.760 1.000 0.600 CA 1.624 6 residues pruned to eliminate duplicates Z: 17 47.547 2.467 0.920 0.888 1.000 0.875 CA 1.809 17 residues pruned to eliminate duplicates Z: 16 27.674 2.154 1.000 0.803 0.867 0.600 CB 1.469 16 residues pruned to eliminate duplicates Z: 12 26.048 1.966 1.166 0.836 1.000 0.727 CB 1.381 10 residues pruned to eliminate duplicates Z: 28 20.871 2.078 0.795 0.475 0.926 0.519 CB 1.193 Z: 53 59.098 2.378 1.082 0.559 0.885 0.538 CB 1.766 42 residues pruned to eliminate duplicates Z: 18 37.354 2.223 0.861 0.874 0.941 0.588 CA 1.693 18 residues pruned to eliminate duplicates Z: 18 20.457 2.281 0.637 0.393 0.882 0.647 CB 1.687 18 residues pruned to eliminate duplicates Z: 14 35.073 2.183 1.115 0.844 1.000 0.846 CA 1.567 14 residues pruned to eliminate duplicates Z: 15 39.598 2.433 1.055 0.847 0.929 0.714 CA 1.692 15 residues pruned to eliminate duplicates Z: 12 36.590 2.289 1.465 0.899 0.818 0.364 CB 1.709 12 residues pruned to eliminate duplicates Z: 25 32.390 2.173 1.137 0.497 0.917 0.458 CB 1.558 14 residues pruned to eliminate duplicates Z: 22 27.739 2.303 0.955 0.462 0.857 0.524 CB 1.631 12 residues pruned to eliminate duplicates Z: 16 34.987 2.329 0.661 0.865 0.933 0.867 CA 1.833 16 residues pruned to eliminate duplicates Z: 6 5.718 2.215 0.759 0.480 0.600 0.600 CA 1.116 Z: 17 20.772 2.196 0.868 0.354 0.875 0.500 CB 1.694 Z: 14 40.306 2.178 1.299 0.886 1.000 0.769 CA 1.611 14 residues pruned to eliminate duplicates Z: 7 8.267 1.496 0.898 0.728 0.833 0.667 CA 1.162 Z: 22 30.291 2.343 0.998 0.399 0.857 0.429 CB 1.833 22 residues pruned to eliminate duplicates Z: 12 30.888 2.289 0.661 0.940 1.000 1.000 CB 1.701 12 residues pruned to eliminate duplicates Z: 19 28.562 2.081 0.871 0.859 0.722 0.611 CB 1.762 19 residues pruned to eliminate duplicates Z: 38 30.537 2.232 0.800 0.457 0.919 0.568 CB 1.421 24 residues pruned to eliminate duplicates Z: 26 29.468 2.266 1.002 0.446 0.840 0.520 CB 1.634 26 residues pruned to eliminate duplicates Z: 43 60.873 2.458 1.171 0.585 0.952 0.643 CB 1.703 47 residues pruned to eliminate duplicates Z: 16 38.578 2.390 1.025 0.899 0.933 0.600 CB 1.575 16 residues pruned to eliminate duplicates Z: 15 29.396 2.267 0.853 0.868 0.929 0.786 CA 1.472 15 residues pruned to eliminate duplicates Z: 10 36.255 2.548 0.696 0.923 1.000 1.000 CA 1.965 10 residues pruned to eliminate duplicates Z: 28 24.321 2.315 0.825 0.377 0.815 0.481 CB 1.551 28 residues pruned to eliminate duplicates Z: 13 13.767 2.246 0.503 0.382 0.917 0.750 CB 1.456 Z: 15 33.705 2.257 0.922 0.870 1.000 0.643 CA 1.516 15 residues pruned to eliminate duplicates Z: 15 31.558 2.330 0.684 0.894 1.000 0.643 CA 1.542 15 residues pruned to eliminate duplicates Z: 12 32.799 2.389 0.867 0.839 1.000 0.727 CA 1.656 12 residues pruned to eliminate duplicates Z: 13 25.338 1.906 0.931 0.873 0.917 0.833 N 1.580 13 residues pruned to eliminate duplicates Z: 13 22.112 1.939 0.602 0.878 0.917 0.917 CB 1.628 13 residues pruned to eliminate duplicates Z: 12 43.171 2.303 1.314 0.885 1.000 0.636 CA 1.765 12 residues pruned to eliminate duplicates Z: 11 42.684 2.422 1.157 0.922 1.000 1.000 CA 1.817 11 residues pruned to eliminate duplicates Z: 13 12.068 1.999 0.611 0.456 0.833 0.583 CA 1.358 Z: 11 53.086 2.538 1.347 0.931 1.000 1.000 CA 1.971 11 residues pruned to eliminate duplicates Z: 15 39.699 2.318 1.022 0.882 1.000 0.643 CB 1.639 15 residues pruned to eliminate duplicates Z: 24 35.939 2.342 0.870 0.638 0.913 0.739 CB 1.647 17 residues pruned to eliminate duplicates Z: 13 14.286 2.248 1.034 0.320 0.833 0.500 CB 1.321 13 residues pruned to eliminate duplicates Z: 18 20.663 2.209 0.666 0.436 0.882 0.412 CB 1.649 17 residues pruned to eliminate duplicates Z: 106 67.367 2.316 1.001 0.466 0.838 0.533 CB 1.752 102 residues pruned to eliminate duplicates Z: 60 46.414 2.346 0.902 0.434 0.864 0.559 CB 1.677 60 residues pruned to eliminate duplicates Z: 15 33.200 2.209 1.207 0.863 0.929 0.714 CA 1.438 15 residues pruned to eliminate duplicates Z: 10 26.868 2.460 1.149 0.725 0.889 0.333 CA 1.556 10 residues pruned to eliminate duplicates Z: 15 36.036 2.350 0.969 0.805 0.929 0.643 CA 1.718 15 residues pruned to eliminate duplicates Z: 13 31.962 2.075 1.056 0.883 1.000 0.583 CB 1.564 13 residues pruned to eliminate duplicates Z: 17 32.136 2.241 0.931 0.799 0.812 0.812 CA 1.759 17 residues pruned to eliminate duplicates Z: 11 24.578 2.193 0.846 0.880 1.000 0.800 CA 1.391 11 residues pruned to eliminate duplicates Z: 11 26.052 2.099 0.773 0.849 1.000 0.900 CB 1.641 11 residues pruned to eliminate duplicates Z: 7 15.385 1.987 1.351 0.640 0.833 0.833 N 1.415 8 residues pruned to eliminate duplicates Z: 23 45.685 2.422 1.163 0.693 0.909 0.636 CB 1.715 22 residues pruned to eliminate duplicates Z: 18 19.212 2.308 0.506 0.476 0.824 0.588 CB 1.668 31 residues pruned to eliminate duplicates Z: 11 22.877 2.081 0.722 0.914 1.000 0.800 CB 1.428 11 residues pruned to eliminate duplicates Z: 100 61.716 2.283 0.958 0.512 0.899 0.576 CB 1.525 82 residues pruned to eliminate duplicates Z: 18 16.393 2.150 0.702 0.432 0.765 0.412 CB 1.525 17 residues pruned to eliminate duplicates Z: 85 51.260 2.244 0.909 0.486 0.869 0.536 CB 1.524 85 residues pruned to eliminate duplicates Z: 14 34.228 2.287 1.074 0.891 1.000 0.769 CA 1.439 14 residues pruned to eliminate duplicates Z: 15 28.814 2.190 0.908 0.888 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 39 23.606 2.057 0.720 0.390 0.895 0.500 CB 1.359 Z: 12 10.829 2.053 0.399 0.398 0.818 0.545 CB 1.549 Z: 21 18.407 2.166 0.599 0.353 0.950 0.550 CB 1.467 20 residues pruned to eliminate duplicates Z: 13 41.191 2.282 1.193 0.929 1.000 0.833 CA 1.662 13 residues pruned to eliminate duplicates Z: 18 32.893 2.136 0.934 0.869 0.941 0.529 CA 1.499 18 residues pruned to eliminate duplicates Z: 12 29.743 2.275 1.315 0.751 0.818 0.364 CA 1.664 14 residues pruned to eliminate duplicates Z: 23 29.144 2.232 0.761 0.518 0.909 0.545 CB 1.708 23 residues pruned to eliminate duplicates Z: 28 25.758 2.130 0.733 0.501 0.889 0.519 CB 1.509 28 residues pruned to eliminate duplicates Z: 27 27.826 2.243 0.683 0.481 0.885 0.462 CB 1.666 25 residues pruned to eliminate duplicates Z: 18 16.028 2.178 0.732 0.446 0.765 0.471 CB 1.425 13 residues pruned to eliminate duplicates Z: 9 19.293 2.075 1.363 0.667 0.750 0.750 CB 1.589 Z: 13 15.858 1.933 0.938 0.647 0.833 0.500 CA 1.278 13 residues pruned to eliminate duplicates Z: 19 36.376 2.372 0.693 0.648 1.000 0.556 CB 1.859 11 residues pruned to eliminate duplicates Z: 14 41.071 2.158 1.315 0.913 1.000 0.846 CB 1.614 14 residues pruned to eliminate duplicates Z: 9 21.305 2.251 0.880 0.839 1.000 0.750 CA 1.329 9 residues pruned to eliminate duplicates Z: 39 35.535 2.181 1.117 0.514 0.842 0.526 CB 1.461 42 residues pruned to eliminate duplicates Z: 22 24.829 2.191 1.000 0.391 0.810 0.571 CB 1.714 22 residues pruned to eliminate duplicates Z: 16 21.077 2.317 0.817 0.446 0.867 0.533 CB 1.576 18 residues pruned to eliminate duplicates Z: 11 47.591 2.597 1.109 0.918 1.000 1.000 CA 1.937 11 residues pruned to eliminate duplicates Z: 6 8.658 1.858 0.082 0.805 1.000 0.800 CA 1.477 6 residues pruned to eliminate duplicates Z: 56 57.144 2.414 1.018 0.547 0.873 0.400 CB 1.732 56 residues pruned to eliminate duplicates Z: 16 43.627 2.382 0.886 0.863 1.000 0.733 CA 1.840 16 residues pruned to eliminate duplicates Z: 12 41.617 2.322 1.326 0.914 1.000 0.727 CB 1.642 12 residues pruned to eliminate duplicates Z: 15 30.429 2.245 0.970 0.859 0.929 0.786 CA 1.457 15 residues pruned to eliminate duplicates Z: 85 63.174 2.287 1.064 0.504 0.893 0.500 CB 1.630 85 residues pruned to eliminate duplicates Z: 10 3.711 1.770 0.901 0.170 0.556 0.333 CB 0.987 Z: 9 28.691 2.565 1.011 0.752 0.875 0.375 CB 1.795 9 residues pruned to eliminate duplicates Z: 17 37.198 2.222 1.146 0.824 0.875 0.688 CB 1.684 17 residues pruned to eliminate duplicates Z: 14 26.017 2.092 0.900 0.806 0.923 0.846 CB 1.506 14 residues pruned to eliminate duplicates Z: 13 39.721 2.315 1.079 0.936 1.000 0.917 CA 1.659 13 residues pruned to eliminate duplicates Z: 12 14.686 2.071 0.438 0.897 0.909 0.818 CA 1.171 12 residues pruned to eliminate duplicates Z: 42 42.657 2.273 0.939 0.488 0.927 0.439 CB 1.651 27 residues pruned to eliminate duplicates Z: 13 21.325 2.048 0.749 0.874 1.000 0.833 CA 1.251 13 residues pruned to eliminate duplicates Z: 48 38.584 2.209 0.935 0.469 0.872 0.404 CB 1.558 52 residues pruned to eliminate duplicates Z: 39 31.517 2.181 1.076 0.450 0.895 0.474 CB 1.329 40 residues pruned to eliminate duplicates Z: 15 19.231 1.704 0.798 0.809 1.000 0.643 CB 1.281 15 residues pruned to eliminate duplicates Z: 125 79.303 2.320 1.013 0.530 0.919 0.540 CB 1.610 131 residues pruned to eliminate duplicates Z: 8 16.792 2.228 0.757 0.720 1.000 0.429 CA 1.329 8 residues pruned to eliminate duplicates Z: 15 36.577 2.348 1.069 0.858 0.929 0.714 CA 1.596 15 residues pruned to eliminate duplicates Z: 17 52.040 2.356 1.252 0.890 1.000 0.750 CA 1.764 30 residues pruned to eliminate duplicates Z: 59 55.605 2.245 0.995 0.527 0.948 0.534 CB 1.673 59 residues pruned to eliminate duplicates Z: 17 28.925 2.276 1.045 0.512 0.875 0.438 CB 1.754 17 residues pruned to eliminate duplicates Z: 16 41.168 2.220 0.956 0.881 1.000 0.800 CA 1.772 16 residues pruned to eliminate duplicates Z: 12 23.340 1.909 0.786 0.903 1.000 1.000 CA 1.470 Z: 16 36.065 2.355 0.640 0.876 1.000 0.667 CB 1.753 16 residues pruned to eliminate duplicates Z: 8 5.686 2.109 0.368 0.366 0.714 0.429 CB 1.204 Z: 12 25.100 1.994 1.267 0.855 1.000 0.636 CA 1.236 12 residues pruned to eliminate duplicates Z: 12 21.787 2.016 0.563 0.892 0.909 0.909 CB 1.648 12 residues pruned to eliminate duplicates Z: 15 32.342 2.163 0.917 0.906 1.000 0.714 CA 1.483 15 residues pruned to eliminate duplicates Z: 17 24.256 2.188 0.809 0.640 0.875 0.875 CA 1.536 17 residues pruned to eliminate duplicates Z: 15 31.290 2.250 0.985 0.872 0.929 0.714 CA 1.469 15 residues pruned to eliminate duplicates Z: 12 19.928 1.954 0.674 0.839 0.909 0.909 CA 1.508 12 residues pruned to eliminate duplicates Z: 8 16.269 2.044 0.602 0.849 1.000 0.714 CA 1.392 8 residues pruned to eliminate duplicates Z: 79 58.325 2.377 1.013 0.472 0.859 0.513 CB 1.653 86 residues pruned to eliminate duplicates Z: 16 55.521 2.609 0.958 0.856 1.000 0.533 CA 2.070 16 residues pruned to eliminate duplicates Z: 12 30.780 2.151 1.202 0.889 1.000 1.000 CA 1.411 12 residues pruned to eliminate duplicates Z: 13 44.329 2.266 1.281 0.911 1.000 0.833 CA 1.754 13 residues pruned to eliminate duplicates Z: 29 30.329 2.281 0.874 0.557 0.786 0.429 CB 1.614 33 residues pruned to eliminate duplicates Z: 19 18.215 2.053 0.748 0.496 0.833 0.444 CB 1.440 19 residues pruned to eliminate duplicates Z: 40 43.427 2.385 1.027 0.459 0.897 0.538 CB 1.671 40 residues pruned to eliminate duplicates Z: 8 7.348 1.929 0.017 0.654 0.857 0.714 CB 1.431 Z: 10 37.533 2.285 1.304 0.903 1.000 0.889 CA 1.694 10 residues pruned to eliminate duplicates Z: 130 88.655 2.366 1.078 0.534 0.891 0.512 CB 1.722 121 residues pruned to eliminate duplicates Z: 16 37.746 2.326 0.781 0.884 1.000 0.800 CB 1.699 16 residues pruned to eliminate duplicates Z: 25 17.353 2.152 0.695 0.308 0.875 0.583 CB 1.374 30 residues pruned to eliminate duplicates Z: 20 22.915 2.228 0.633 0.486 0.947 0.474 CB 1.547 20 residues pruned to eliminate duplicates Z: 11 23.202 2.419 1.007 0.624 0.800 0.300 CB 1.681 11 residues pruned to eliminate duplicates Z: 12 24.566 1.984 0.954 0.912 1.000 0.909 CB 1.353 12 residues pruned to eliminate duplicates Z: 10 21.624 2.191 0.629 0.905 1.000 0.889 CB 1.437 11 residues pruned to eliminate duplicates Z: 6 11.433 2.097 0.874 0.766 0.800 0.400 CA 1.285 6 residues pruned to eliminate duplicates Z: 24 49.685 2.383 1.307 0.617 0.957 0.565 CB 1.764 24 residues pruned to eliminate duplicates Z: 13 32.768 2.377 0.983 0.859 0.917 0.583 CA 1.611 13 residues pruned to eliminate duplicates Z: 31 20.553 2.190 0.529 0.436 0.800 0.600 CB 1.497 31 residues pruned to eliminate duplicates Z: 15 19.818 2.197 0.912 0.469 0.857 0.786 CB 1.518 15 residues pruned to eliminate duplicates Z: 28 20.755 2.035 0.802 0.476 0.889 0.556 CB 1.256 28 residues pruned to eliminate duplicates Z: 26 22.970 2.167 0.838 0.445 0.800 0.560 CB 1.525 26 residues pruned to eliminate duplicates Z: 86 72.696 2.332 1.174 0.526 0.906 0.553 CB 1.674 65 residues pruned to eliminate duplicates Z: 46 40.671 2.406 0.894 0.509 0.867 0.578 CB 1.522 46 residues pruned to eliminate duplicates Z: 8 5.543 1.859 0.429 0.476 0.714 0.571 CB 1.130 Z: 15 18.040 2.288 0.718 0.400 0.786 0.357 CB 1.734 15 residues pruned to eliminate duplicates Z: 19 41.609 2.219 1.119 0.878 1.000 0.500 CB 1.514 19 residues pruned to eliminate duplicates Z: 17 17.959 2.241 0.607 0.413 0.812 0.500 CB 1.680 17 residues pruned to eliminate duplicates Z: 23 30.342 2.284 0.876 0.480 0.864 0.409 CA 1.783 23 residues pruned to eliminate duplicates Z: 16 29.166 2.296 0.398 0.850 1.000 0.733 CA 1.738 16 residues pruned to eliminate duplicates Z: 66 54.971 2.397 0.907 0.515 0.862 0.492 CB 1.705 66 residues pruned to eliminate duplicates Z: 41 31.319 2.025 0.813 0.449 0.950 0.525 CB 1.496 27 residues pruned to eliminate duplicates Z: 22 19.776 2.112 0.690 0.468 0.905 0.524 CB 1.381 22 residues pruned to eliminate duplicates Z: 9 6.231 1.641 0.946 0.500 0.625 0.625 N 1.104 Z: 11 23.774 2.085 0.836 0.877 1.000 0.800 CB 1.427 11 residues pruned to eliminate duplicates Z: 24 24.040 2.231 0.891 0.404 0.870 0.478 CB 1.511 25 residues pruned to eliminate duplicates Z: 8 4.288 1.808 -0.139 0.389 0.857 0.571 CB 1.366 Z: 11 25.678 2.090 0.772 0.875 1.000 0.900 CA 1.595 11 residues pruned to eliminate duplicates Z: 26 31.073 2.311 0.851 0.428 0.880 0.520 CB 1.780 26 residues pruned to eliminate duplicates Z: 13 39.304 2.306 1.055 0.923 1.000 0.917 CA 1.683 13 residues pruned to eliminate duplicates Z: 12 29.859 2.169 1.222 0.864 1.000 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 12 31.604 2.035 1.009 0.884 1.000 0.727 CB 1.683 12 residues pruned to eliminate duplicates Z: 38 27.731 2.196 0.684 0.425 0.865 0.568 CB 1.541 32 residues pruned to eliminate duplicates Z: 10 13.676 1.806 0.754 0.804 0.778 0.667 CB 1.419 10 residues pruned to eliminate duplicates Z: 22 22.107 2.118 0.746 0.471 0.905 0.524 CB 1.485 22 residues pruned to eliminate duplicates Z: 24 28.714 2.275 0.993 0.423 0.826 0.478 CA 1.732 24 residues pruned to eliminate duplicates Z: 17 20.795 2.309 0.605 0.464 0.875 0.562 CA 1.663 17 residues pruned to eliminate duplicates Z: 12 31.669 2.041 1.126 0.922 1.000 0.909 CB 1.547 12 residues pruned to eliminate duplicates Z: 30 37.365 2.334 0.783 0.615 0.966 0.552 CB 1.549 31 residues pruned to eliminate duplicates Z: 11 5.414 2.030 0.312 0.196 0.600 0.300 CB 1.540 11 residues pruned to eliminate duplicates Z: 13 27.374 2.232 0.586 0.887 1.000 0.917 CA 1.609 13 residues pruned to eliminate duplicates Z: 11 24.712 2.212 1.088 0.720 0.800 0.300 CB 1.733 11 residues pruned to eliminate duplicates Z: 64 61.599 2.277 1.153 0.517 0.921 0.508 CB 1.692 64 residues pruned to eliminate duplicates Z: 103 72.247 2.318 1.002 0.540 0.912 0.549 CB 1.625 97 residues pruned to eliminate duplicates Z: 11 18.246 1.839 1.060 0.682 0.900 0.600 CA 1.431 11 residues pruned to eliminate duplicates Z: 31 23.650 2.149 0.757 0.426 0.833 0.400 CB 1.482 31 residues pruned to eliminate duplicates Z: 12 47.452 2.347 1.462 0.925 1.000 0.364 CA 1.738 12 residues pruned to eliminate duplicates Z: 15 18.324 2.277 0.678 0.418 0.857 0.429 CB 1.629 15 residues pruned to eliminate duplicates Z: 100 74.913 2.384 1.006 0.499 0.909 0.505 CB 1.733 100 residues pruned to eliminate duplicates Z: 12 12.215 2.116 0.657 0.527 0.818 0.636 CB 1.250 12 residues pruned to eliminate duplicates Z: 6 10.426 1.829 0.605 0.690 1.000 0.600 CA 1.334 Z: 17 38.256 2.224 0.995 0.834 0.938 0.812 CA 1.723 17 residues pruned to eliminate duplicates Z: 19 12.525 2.073 0.471 0.309 0.833 0.500 CB 1.437 19 residues pruned to eliminate duplicates Z: 67 59.189 2.375 0.922 0.544 0.909 0.530 CB 1.683 63 residues pruned to eliminate duplicates Z: 30 39.887 2.367 0.996 0.551 0.931 0.621 CB 1.603 30 residues pruned to eliminate duplicates Z: 17 30.782 2.209 0.788 0.828 0.938 0.625 CA 1.565 17 residues pruned to eliminate duplicates Z: 19 17.100 2.204 0.614 0.466 0.944 0.500 CB 1.242 19 residues pruned to eliminate duplicates Z: 9 14.902 1.898 0.686 0.866 0.750 0.625 CA 1.606 9 residues pruned to eliminate duplicates Z: 7 12.021 2.104 0.596 0.459 1.000 0.667 CB 1.524 7 residues pruned to eliminate duplicates Z: 12 39.927 2.263 1.440 0.877 0.909 0.455 CA 1.743 12 residues pruned to eliminate duplicates Z: 29 37.722 2.235 1.179 0.614 0.821 0.643 CB 1.599 29 residues pruned to eliminate duplicates Z: 68 43.092 2.250 0.771 0.495 0.881 0.582 CB 1.508 68 residues pruned to eliminate duplicates Z: 6 19.899 2.166 0.779 0.864 1.000 0.800 CA 1.694 6 residues pruned to eliminate duplicates Z: 6 16.138 2.149 0.661 0.838 1.000 0.400 CA 1.511 6 residues pruned to eliminate duplicates Z: 13 3.037 1.703 0.277 0.324 0.833 0.250 CB 0.587 Z: 12 16.374 2.094 0.777 0.484 0.909 0.636 CB 1.483 13 residues pruned to eliminate duplicates Z: 7 16.733 2.113 1.227 0.762 0.833 0.333 CA 1.381 7 residues pruned to eliminate duplicates Z: 11 30.250 2.165 1.233 0.914 1.000 0.900 CA 1.399 11 residues pruned to eliminate duplicates Z: 70 57.782 2.298 0.994 0.495 0.899 0.507 CB 1.698 70 residues pruned to eliminate duplicates Z: 25 29.745 2.199 0.977 0.521 0.917 0.500 CB 1.492 26 residues pruned to eliminate duplicates Z: 14 25.680 2.198 0.759 0.896 0.846 0.692 CA 1.559 14 residues pruned to eliminate duplicates Z: 40 29.806 2.201 0.682 0.466 0.872 0.564 CB 1.531 40 residues pruned to eliminate duplicates Z: 11 25.794 2.180 0.828 0.930 1.000 0.800 CB 1.432 12 residues pruned to eliminate duplicates Z: 10 11.060 1.747 0.848 0.518 0.778 0.556 O 1.442 10 residues pruned to eliminate duplicates Z: 15 32.015 2.290 0.613 0.840 1.000 0.786 CB 1.729 15 residues pruned to eliminate duplicates Z: 57 70.036 2.427 1.091 0.541 0.982 0.661 CA 1.804 57 residues pruned to eliminate duplicates Z: 15 5.684 1.931 0.796 0.184 0.571 0.286 CB 1.120 15 residues pruned to eliminate duplicates Z: 13 19.596 1.995 0.423 0.883 1.000 1.000 CA 1.440 13 residues pruned to eliminate duplicates Z: 16 21.244 2.239 0.654 0.492 0.867 0.667 CB 1.723 16 residues pruned to eliminate duplicates Z: 15 30.713 2.158 1.140 0.797 1.000 0.714 CA 1.370 15 residues pruned to eliminate duplicates Z: 29 32.690 2.288 0.926 0.551 0.857 0.607 CB 1.556 29 residues pruned to eliminate duplicates Z: 11 23.580 2.109 0.963 0.808 1.000 0.500 CA 1.377 11 residues pruned to eliminate duplicates Z: 15 28.166 2.195 0.791 0.916 0.929 0.571 CA 1.456 15 residues pruned to eliminate duplicates Z: 12 24.097 2.137 1.224 0.638 0.909 0.182 CA 1.477 12 residues pruned to eliminate duplicates Z: 13 17.272 2.182 0.689 0.492 0.917 0.750 CB 1.488 13 residues pruned to eliminate duplicates Z: 7 15.355 1.893 1.251 0.480 1.000 0.833 CA 1.502 Z: 39 36.592 2.285 0.996 0.435 0.816 0.421 CB 1.705 39 residues pruned to eliminate duplicates Z: 41 36.109 2.388 0.860 0.485 0.850 0.500 CB 1.535 41 residues pruned to eliminate duplicates Z: 14 21.395 1.873 0.942 0.839 0.923 0.462 CB 1.320 14 residues pruned to eliminate duplicates Z: 11 10.790 2.183 0.422 0.490 0.700 0.500 CB 1.586 11 residues pruned to eliminate duplicates Z: 10 24.161 2.285 0.751 0.919 1.000 1.000 CA 1.419 10 residues pruned to eliminate duplicates Z: 20 25.623 2.240 0.875 0.546 0.895 0.579 CB 1.495 20 residues pruned to eliminate duplicates Z: 11 24.243 2.168 1.215 0.827 1.000 0.600 CA 1.203 11 residues pruned to eliminate duplicates Z: 8 9.253 2.196 0.526 0.375 0.857 0.429 CB 1.390 8 residues pruned to eliminate duplicates Z: 15 40.436 2.310 0.930 0.885 1.000 0.643 CA 1.750 15 residues pruned to eliminate duplicates Z: 16 12.134 2.017 0.774 0.310 0.933 0.533 CB 1.159 16 residues pruned to eliminate duplicates Z: 12 24.397 2.039 0.991 0.875 1.000 0.909 CA 1.317 12 residues pruned to eliminate duplicates Z: 18 18.726 2.263 0.610 0.346 0.824 0.353 CA 1.789 18 residues pruned to eliminate duplicates Z: 30 15.053 2.073 0.734 0.295 0.690 0.517 CB 1.419 30 residues pruned to eliminate duplicates Z: 15 32.385 2.229 1.068 0.880 1.000 0.786 CA 1.361 15 residues pruned to eliminate duplicates Z: 16 26.800 2.089 0.818 0.832 0.933 0.733 CB 1.466 16 residues pruned to eliminate duplicates Z: 17 37.673 2.391 1.119 0.892 0.875 0.438 CB 1.526 17 residues pruned to eliminate duplicates Z: 7 25.952 2.204 1.309 0.865 0.833 0.500 CB 1.831 7 residues pruned to eliminate duplicates Z: 62 73.792 2.375 1.215 0.559 0.967 0.590 CB 1.753 62 residues pruned to eliminate duplicates Z: 15 18.901 2.371 0.489 0.486 0.929 0.643 CB 1.563 15 residues pruned to eliminate duplicates Z: 60 59.506 2.427 1.033 0.488 0.898 0.508 CB 1.769 60 residues pruned to eliminate duplicates Z: 96 75.007 2.374 1.043 0.522 0.884 0.600 CB 1.756 96 residues pruned to eliminate duplicates Z: 19 13.554 2.139 0.926 0.398 0.722 0.444 CB 1.196 19 residues pruned to eliminate duplicates Z: 15 13.165 2.015 0.686 0.510 0.857 0.429 CB 1.196 Z: 18 29.143 2.206 1.210 0.570 0.824 0.471 CB 1.645 18 residues pruned to eliminate duplicates Z: 39 27.909 2.162 0.901 0.391 0.816 0.447 CB 1.516 37 residues pruned to eliminate duplicates Z: 86 60.065 2.299 0.986 0.505 0.906 0.529 CB 1.567 86 residues pruned to eliminate duplicates Z: 8 16.931 1.926 0.758 0.880 1.000 0.857 CA 1.370 9 residues pruned to eliminate duplicates Z: 10 20.426 2.242 1.230 0.652 0.778 0.333 CA 1.520 10 residues pruned to eliminate duplicates Z: 37 25.286 2.049 0.778 0.361 0.889 0.528 CB 1.511 37 residues pruned to eliminate duplicates Z: 12 23.681 1.959 0.653 0.936 1.000 0.909 CB 1.535 12 residues pruned to eliminate duplicates Z: 14 28.770 2.227 0.694 0.907 1.000 0.923 CB 1.504 14 residues pruned to eliminate duplicates Z: 7 13.163 1.959 0.832 0.569 1.000 0.667 CB 1.401 Z: 17 49.005 2.363 1.131 0.864 1.000 0.625 CA 1.784 17 residues pruned to eliminate duplicates Z: 31 33.600 2.337 0.858 0.555 0.933 0.533 CB 1.435 31 residues pruned to eliminate duplicates Z: 10 19.909 2.285 0.624 0.921 1.000 1.000 CA 1.259 10 residues pruned to eliminate duplicates Z: 23 30.285 2.281 1.025 0.376 0.909 0.364 CB 1.756 23 residues pruned to eliminate duplicates Z: 10 11.684 2.134 1.053 0.522 0.556 0.333 CB 1.566 10 residues pruned to eliminate duplicates Z: 32 26.302 2.225 0.961 0.370 0.806 0.516 CB 1.544 32 residues pruned to eliminate duplicates Z: 23 25.396 2.271 0.894 0.439 0.818 0.500 CB 1.638 23 residues pruned to eliminate duplicates Z: 7 3.647 1.457 0.398 0.520 0.833 0.667 CB 0.860 7 residues pruned to eliminate duplicates Z: 15 23.965 2.070 0.799 0.877 0.929 0.714 CB 1.345 15 residues pruned to eliminate duplicates Z: 10 21.681 2.257 0.949 0.507 1.000 0.556 CA 1.631 10 residues pruned to eliminate duplicates Z: 9 6.012 1.698 0.675 0.296 0.750 0.500 CA 1.252 Z: 30 32.783 2.089 0.878 0.542 0.931 0.586 CB 1.600 15 residues pruned to eliminate duplicates Z: 13 13.727 2.111 0.552 0.415 0.917 0.667 CB 1.443 13 residues pruned to eliminate duplicates Z: 12 26.890 2.138 1.101 0.871 1.000 0.818 CA 1.316 12 residues pruned to eliminate duplicates Z: 6 7.800 2.101 0.690 0.854 0.600 0.600 CA 1.209 6 residues pruned to eliminate duplicates Z: 15 27.564 2.342 0.603 0.836 0.929 0.929 CA 1.582 15 residues pruned to eliminate duplicates Z: 17 35.024 2.348 1.115 0.847 0.875 0.875 CB 1.496 17 residues pruned to eliminate duplicates Z: 55 53.775 2.326 1.112 0.502 0.889 0.444 CB 1.672 55 residues pruned to eliminate duplicates Z: 49 40.775 2.170 0.819 0.549 0.917 0.479 CB 1.550 58 residues pruned to eliminate duplicates Z: 59 54.054 2.310 1.050 0.527 0.879 0.517 CB 1.660 59 residues pruned to eliminate duplicates Z: 24 28.053 2.101 0.821 0.527 0.957 0.478 CA 1.557 24 residues pruned to eliminate duplicates Z: 49 47.538 2.340 0.934 0.520 0.875 0.521 CB 1.698 49 residues pruned to eliminate duplicates Z: 12 37.763 2.295 1.006 0.937 1.000 0.818 CB 1.721 12 residues pruned to eliminate duplicates Z: 7 12.914 2.082 0.893 0.623 1.000 0.667 CB 1.191 Z: 26 19.900 2.079 0.596 0.498 0.800 0.440 CB 1.502 26 residues pruned to eliminate duplicates Z: 38 36.507 2.227 1.011 0.465 0.919 0.568 CB 1.512 38 residues pruned to eliminate duplicates Z: 13 7.802 1.774 0.489 0.391 0.667 0.333 CB 1.437 13 residues pruned to eliminate duplicates Z: 88 76.336 2.385 1.153 0.517 0.931 0.483 CB 1.683 88 residues pruned to eliminate duplicates Z: 23 19.586 2.156 0.638 0.438 0.864 0.500 CB 1.460 23 residues pruned to eliminate duplicates Z: 21 37.490 2.235 1.028 0.694 0.950 0.650 CA 1.630 21 residues pruned to eliminate duplicates Z: 8 5.604 1.833 0.266 0.327 0.857 0.571 CB 1.288 Z: 8 10.158 1.955 0.926 0.492 0.714 0.429 N 1.439 Z: 20 17.375 2.125 0.483 0.464 0.895 0.579 CB 1.467 20 residues pruned to eliminate duplicates Z: 39 29.173 2.202 0.779 0.467 0.789 0.579 CB 1.583 39 residues pruned to eliminate duplicates Z: 14 21.531 1.862 1.003 0.904 0.923 0.769 CB 1.235 14 residues pruned to eliminate duplicates Z: 8 17.817 1.940 0.710 0.863 1.000 0.571 CB 1.489 10 residues pruned to eliminate duplicates Z: 8 19.858 2.138 0.964 0.775 1.000 1.000 CB 1.402 Z: 24 35.652 2.337 0.843 0.615 0.913 0.696 CB 1.696 24 residues pruned to eliminate duplicates Z: 31 22.321 2.115 0.748 0.428 0.800 0.500 CB 1.484 31 residues pruned to eliminate duplicates Z: 9 4.032 1.635 0.665 0.165 0.875 0.375 CB 0.899 9 residues pruned to eliminate duplicates Z: 8 13.538 2.060 0.988 0.432 0.857 0.571 CB 1.564 Z: 13 20.214 1.915 0.985 0.849 0.917 0.583 CB 1.241 13 residues pruned to eliminate duplicates Z: 85 87.436 2.388 1.268 0.598 0.929 0.619 CB 1.728 85 residues pruned to eliminate duplicates Z: 6 8.983 2.205 0.481 0.662 0.800 0.800 CB 1.323 6 residues pruned to eliminate duplicates Z: 9 11.649 1.862 0.673 0.562 0.875 0.750 O 1.423 8 residues pruned to eliminate duplicates Z: 6 10.021 1.805 0.876 0.783 0.800 0.400 C 1.290 6 residues pruned to eliminate duplicates Z: 8 14.394 2.091 0.892 0.430 1.000 0.429 CB 1.479 8 residues pruned to eliminate duplicates Z: 7 7.319 1.875 0.635 0.696 0.833 0.333 CA 0.978 7 residues pruned to eliminate duplicates Z: 26 10.741 1.984 0.343 0.342 0.760 0.320 CB 1.260 26 residues pruned to eliminate duplicates Z: 46 50.286 2.448 0.997 0.524 0.911 0.511 CB 1.643 46 residues pruned to eliminate duplicates Z: 59 41.492 2.217 0.824 0.504 0.862 0.517 CB 1.558 56 residues pruned to eliminate duplicates Z: 7 6.367 1.951 0.364 0.253 0.833 0.500 O 1.556 Z: 7 7.869 1.872 0.956 0.629 0.833 0.667 CB 0.933 Z: 13 29.466 2.228 0.787 0.839 1.000 0.917 CA 1.595 13 residues pruned to eliminate duplicates Z: 15 31.488 2.230 1.020 0.837 0.929 0.714 CB 1.504 15 residues pruned to eliminate duplicates Z: 59 57.454 2.369 0.980 0.505 0.914 0.621 CB 1.751 59 residues pruned to eliminate duplicates Z: 7 11.572 2.043 0.620 0.853 0.667 0.333 CB 1.583 7 residues pruned to eliminate duplicates Z: 17 10.416 2.027 0.624 0.311 0.750 0.500 CB 1.301 17 residues pruned to eliminate duplicates Z: 16 16.884 2.049 0.867 0.684 0.933 0.600 CB 1.031 15 residues pruned to eliminate duplicates Z: 18 44.315 2.163 1.125 0.861 1.000 0.706 CA 1.719 18 residues pruned to eliminate duplicates Z: 92 66.476 2.342 1.028 0.509 0.879 0.538 CB 1.655 92 residues pruned to eliminate duplicates Z: 8 2.566 1.894 0.325 0.071 0.714 0.286 CB 0.947 Z: 46 43.025 2.437 0.929 0.528 0.822 0.533 CB 1.614 46 residues pruned to eliminate duplicates Z: 27 32.463 2.188 1.033 0.553 0.885 0.692 CB 1.536 27 residues pruned to eliminate duplicates Z: 17 25.647 2.377 0.932 0.506 0.812 0.500 CB 1.708 17 residues pruned to eliminate duplicates Z: 16 44.121 2.321 1.046 0.880 1.000 0.667 CB 1.739 16 residues pruned to eliminate duplicates Z: 39 27.264 2.226 0.767 0.346 0.763 0.474 CB 1.741 39 residues pruned to eliminate duplicates Z: 7 4.510 2.116 -0.007 0.360 0.667 0.667 CB 1.527 7 residues pruned to eliminate duplicates Z: 14 11.535 1.971 0.680 0.318 0.846 0.538 CB 1.397 14 residues pruned to eliminate duplicates Z: 37 42.463 2.256 1.014 0.544 0.889 0.667 CB 1.679 37 residues pruned to eliminate duplicates Z: 12 27.795 2.235 0.982 0.853 0.909 0.636 CA 1.538 12 residues pruned to eliminate duplicates Z: 9 21.212 2.336 0.707 0.872 0.875 0.625 CA 1.566 9 residues pruned to eliminate duplicates 6 1.598 1.364 0.165 0.293 0.600 0.400 O 0.946 ? Z: 12 32.393 2.226 1.113 0.833 0.909 0.727 CB 1.713 12 residues pruned to eliminate duplicates Z: 18 15.821 2.074 0.351 0.464 1.000 0.588 CB 1.421 18 residues pruned to eliminate duplicates Z: 12 15.870 1.906 0.772 0.903 0.818 0.636 CB 1.235 12 residues pruned to eliminate duplicates Z: 21 10.472 1.800 0.543 0.331 0.800 0.500 CB 1.267 7 residues pruned to eliminate duplicates Z: 12 9.610 1.797 0.728 0.472 0.909 0.727 CB 1.056 Z: 10 20.578 2.284 1.425 0.719 0.778 0.333 CA 1.306 10 residues pruned to eliminate duplicates Z: 34 47.089 2.314 1.077 0.568 0.909 0.545 CA 1.756 42 residues pruned to eliminate duplicates Z: 35 30.060 2.099 0.893 0.554 0.882 0.471 CB 1.395 35 residues pruned to eliminate duplicates Z: 7 15.278 2.033 0.676 0.855 0.833 0.333 CB 1.621 7 residues pruned to eliminate duplicates Z: 15 32.642 2.238 0.774 0.887 0.929 0.643 CA 1.707 15 residues pruned to eliminate duplicates Z: 10 23.255 2.258 1.125 0.755 0.889 0.556 CA 1.448 8 residues pruned to eliminate duplicates Z: 15 24.185 2.110 1.040 0.676 0.857 0.357 CA 1.490 15 residues pruned to eliminate duplicates Z: 8 16.018 2.129 0.874 0.849 0.714 0.429 CB 1.574 8 residues pruned to eliminate duplicates Z: 12 4.686 1.697 0.418 0.388 0.727 0.545 CB 0.910 Z: 26 30.620 2.235 0.969 0.479 0.880 0.600 CB 1.615 26 residues pruned to eliminate duplicates Z: 63 52.792 2.360 0.976 0.492 0.823 0.565 CB 1.762 63 residues pruned to eliminate duplicates Z: 16 6.113 1.614 0.509 0.336 0.733 0.267 CB 1.057 23 residues pruned to eliminate duplicates Z: 17 39.856 2.405 1.106 0.814 0.938 0.812 CA 1.597 17 residues pruned to eliminate duplicates Z: 16 52.511 2.512 1.483 0.780 1.000 0.800 CB 1.699 16 residues pruned to eliminate duplicates Z: 16 38.735 2.286 0.819 0.872 1.000 0.867 CA 1.754 16 residues pruned to eliminate duplicates Z: 16 36.677 2.217 0.931 0.866 1.000 0.667 CA 1.620 16 residues pruned to eliminate duplicates Z: 19 36.842 2.005 1.180 0.889 0.944 0.722 CB 1.514 19 residues pruned to eliminate duplicates Z: 110 73.851 2.312 0.920 0.502 0.917 0.550 CB 1.733 111 residues pruned to eliminate duplicates Z: 24 20.124 2.211 0.783 0.333 0.913 0.348 CB 1.400 24 residues pruned to eliminate duplicates Z: 6 3.396 1.407 0.451 0.354 0.800 0.400 CB 1.090 6 residues pruned to eliminate duplicates Z: 8 15.647 2.197 0.437 0.638 1.000 0.714 CB 1.646 8 residues pruned to eliminate duplicates Z: 17 28.935 2.154 0.842 0.860 0.812 0.812 CB 1.650 17 residues pruned to eliminate duplicates Z: 21 15.623 2.145 0.487 0.414 0.800 0.500 CB 1.497 21 residues pruned to eliminate duplicates Z: 59 46.351 2.261 0.838 0.521 0.879 0.586 CB 1.631 59 residues pruned to eliminate duplicates Z: 9 10.501 1.980 0.452 0.638 0.875 0.750 CB 1.296 Z: 13 7.776 1.618 0.898 0.293 0.833 0.417 CB 1.107 Z: 7 5.710 2.130 0.191 0.434 0.667 0.500 CB 1.475 7 residues pruned to eliminate duplicates Z: 28 16.849 1.858 0.731 0.411 0.889 0.519 CB 1.244 28 residues pruned to eliminate duplicates Z: 22 23.451 2.134 0.772 0.543 0.857 0.571 CA 1.514 22 residues pruned to eliminate duplicates Z: 18 20.831 2.106 0.740 0.498 0.882 0.412 CB 1.565 18 residues pruned to eliminate duplicates Z: 26 17.674 2.004 0.670 0.465 0.760 0.480 CB 1.439 26 residues pruned to eliminate duplicates Z: 109 61.164 2.241 0.824 0.491 0.907 0.454 CB 1.601 109 residues pruned to eliminate duplicates Z: 7 8.545 2.000 0.142 0.655 0.833 0.667 C 1.587 Z: 13 29.009 2.031 1.197 0.896 1.000 0.833 CA 1.344 13 residues pruned to eliminate duplicates Z: 11 24.726 2.228 0.652 0.914 1.000 0.900 CB 1.503 11 residues pruned to eliminate duplicates Z: 60 58.798 2.371 0.947 0.563 0.915 0.542 CB 1.704 60 residues pruned to eliminate duplicates Z: 15 26.388 2.314 0.390 0.908 1.000 0.857 CA 1.557 15 residues pruned to eliminate duplicates Z: 18 20.542 2.125 0.746 0.589 0.824 0.412 CB 1.498 18 residues pruned to eliminate duplicates Z: 96 58.174 2.306 0.903 0.498 0.842 0.558 CB 1.618 96 residues pruned to eliminate duplicates Z: 9 4.904 1.654 0.194 0.528 0.875 0.750 CB 0.976 Z: 8 23.141 2.089 0.962 0.883 1.000 1.000 CB 1.543 8 residues pruned to eliminate duplicates Z: 29 23.360 2.024 0.817 0.483 0.929 0.571 CB 1.316 29 residues pruned to eliminate duplicates Z: 15 29.288 2.314 0.731 0.885 0.929 0.857 CA 1.520 15 residues pruned to eliminate duplicates Z: 21 16.772 2.228 0.588 0.406 0.900 0.500 CB 1.300 21 residues pruned to eliminate duplicates Z: 16 48.696 2.397 1.196 0.924 1.000 0.733 CB 1.678 16 residues pruned to eliminate duplicates Z: 10 9.561 1.649 1.006 0.460 0.778 0.556 CA 1.290 17 residues pruned to eliminate duplicates Z: 8 10.458 1.977 0.468 0.577 1.000 0.714 CB 1.264 Z: 15 46.440 2.379 1.194 0.893 1.000 0.786 CB 1.708 15 residues pruned to eliminate duplicates Z: 6 11.314 1.604 1.121 0.800 1.000 0.800 CA 1.144 6 residues pruned to eliminate duplicates Z: 23 31.238 2.239 0.696 0.683 0.909 0.727 CB 1.631 23 residues pruned to eliminate duplicates Z: 10 24.779 2.136 1.065 0.901 1.000 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 16 38.378 2.265 0.923 0.864 1.000 0.600 CA 1.668 16 residues pruned to eliminate duplicates Z: 25 53.757 2.498 1.086 0.689 1.000 0.667 CA 1.771 25 residues pruned to eliminate duplicates Z: 51 51.513 2.329 1.117 0.484 0.860 0.460 CB 1.747 51 residues pruned to eliminate duplicates Z: 28 26.660 2.167 0.603 0.611 0.889 0.704 CB 1.495 28 residues pruned to eliminate duplicates Z: 28 25.344 2.177 0.766 0.433 0.815 0.519 CB 1.669 28 residues pruned to eliminate duplicates Z: 12 8.034 1.701 0.854 0.383 0.727 0.545 CB 1.196 Z: 11 13.884 1.740 0.904 0.639 0.900 0.400 CA 1.293 11 residues pruned to eliminate duplicates Z: 21 12.929 2.110 0.605 0.339 0.900 0.450 CB 1.131 21 residues pruned to eliminate duplicates Z: 17 13.338 1.828 0.446 0.654 0.938 0.500 CB 1.166 17 residues pruned to eliminate duplicates Z: 9 9.625 1.980 0.797 0.447 0.875 0.625 CB 1.154 Z: 14 5.361 1.552 0.522 0.268 0.769 0.308 CB 1.065 14 residues pruned to eliminate duplicates Z: 11 15.970 2.142 0.996 0.424 0.900 0.600 CB 1.421 Z: 26 20.081 2.093 0.501 0.411 0.920 0.520 CB 1.524 37 residues pruned to eliminate duplicates Z: 14 35.092 2.355 0.865 0.882 1.000 0.846 CA 1.603 14 residues pruned to eliminate duplicates Z: 38 37.259 2.309 0.789 0.558 0.919 0.622 CB 1.526 36 residues pruned to eliminate duplicates Z: 27 28.567 2.117 0.887 0.517 0.923 0.500 CB 1.495 27 residues pruned to eliminate duplicates Z: 14 25.966 2.272 0.732 0.885 0.923 0.923 CA 1.432 14 residues pruned to eliminate duplicates Z: 13 29.423 2.228 0.805 0.871 1.000 0.917 CB 1.541 13 residues pruned to eliminate duplicates Z: 7 17.069 2.147 0.591 0.786 1.000 1.000 N 1.587 Z: 16 38.189 2.265 0.929 0.881 0.933 0.800 CB 1.751 16 residues pruned to eliminate duplicates Z: 23 30.754 2.132 0.700 0.720 1.000 0.909 CA 1.482 23 residues pruned to eliminate duplicates Z: 8 5.984 1.876 0.116 0.470 0.857 0.571 N 1.300 Z: 13 6.722 1.624 0.662 0.250 0.667 0.417 O 1.437 Z: 45 37.659 2.234 0.872 0.492 0.886 0.614 CB 1.544 45 residues pruned to eliminate duplicates Z: 65 40.464 2.146 0.887 0.482 0.844 0.469 CB 1.506 65 residues pruned to eliminate duplicates Z: 6 6.219 1.552 0.525 0.722 1.000 0.800 CA 0.962 Z: 6 11.855 1.929 0.686 0.799 1.000 0.800 CA 1.255 6 residues pruned to eliminate duplicates Z: 13 15.627 2.379 0.624 0.372 0.750 0.583 CA 1.785 13 residues pruned to eliminate duplicates Z: 14 36.358 2.292 1.036 0.920 0.923 0.692 CA 1.648 14 residues pruned to eliminate duplicates Z: 16 14.217 2.001 0.621 0.488 0.867 0.600 CB 1.321 7 residues pruned to eliminate duplicates Z: 8 6.854 1.876 0.551 0.395 0.857 0.571 CB 1.161 8 residues pruned to eliminate duplicates Z: 12 32.389 2.327 0.718 0.925 1.000 0.909 CA 1.715 12 residues pruned to eliminate duplicates Z: 6 3.331 1.787 -0.046 0.404 1.000 0.600 CB 0.966 Z: 14 14.064 2.125 0.529 0.379 1.000 0.462 CB 1.366 14 residues pruned to eliminate duplicates Z: 14 11.875 2.147 0.411 0.350 0.846 0.385 CA 1.511 14 residues pruned to eliminate duplicates Z: 16 38.700 2.271 0.996 0.887 0.933 0.800 CA 1.703 16 residues pruned to eliminate duplicates Z: 44 53.612 2.504 1.087 0.521 0.930 0.442 CB 1.647 44 residues pruned to eliminate duplicates Z: 13 6.441 1.748 0.529 0.506 0.750 0.583 CB 0.922 6 residues pruned to eliminate duplicates Z: 77 60.935 2.399 0.991 0.512 0.908 0.539 CB 1.593 77 residues pruned to eliminate duplicates Z: 9 12.709 1.955 1.137 0.439 0.875 0.750 CB 1.309 6 residues pruned to eliminate duplicates Z: 10 13.140 1.812 0.301 0.888 1.000 0.667 CA 1.339 Z: 41 40.830 2.279 1.034 0.470 0.925 0.625 CB 1.552 41 residues pruned to eliminate duplicates Z: 17 8.306 1.843 0.732 0.343 0.562 0.312 N 1.372 17 residues pruned to eliminate duplicates Z: 7 3.685 1.833 0.088 0.386 0.667 0.667 N 1.276 Z: 15 50.372 2.510 1.212 0.933 1.000 0.786 CB 1.692 15 residues pruned to eliminate duplicates Z: 6 15.825 1.915 1.248 0.844 1.000 0.600 CA 1.223 6 residues pruned to eliminate duplicates Z: 37 37.197 2.326 1.167 0.441 0.861 0.556 CB 1.518 37 residues pruned to eliminate duplicates Z: 8 13.496 1.912 0.736 0.874 0.857 0.714 CB 1.305 8 residues pruned to eliminate duplicates Z: 73 71.006 2.390 1.224 0.498 0.889 0.542 CB 1.775 73 residues pruned to eliminate duplicates Z: 8 17.366 2.162 0.802 0.613 1.000 0.571 CA 1.514 8 residues pruned to eliminate duplicates Z: 34 25.098 2.108 0.956 0.500 0.788 0.424 CB 1.346 34 residues pruned to eliminate duplicates Z: 9 6.061 1.758 0.793 0.396 0.750 0.375 CB 1.012 10 residues pruned to eliminate duplicates Z: 21 18.734 2.188 0.437 0.505 0.800 0.600 CB 1.658 21 residues pruned to eliminate duplicates Z: 39 45.035 2.373 1.029 0.517 0.947 0.553 CB 1.574 39 residues pruned to eliminate duplicates Z: 29 19.761 2.101 0.827 0.372 0.750 0.464 CB 1.487 29 residues pruned to eliminate duplicates Z: 14 24.635 2.015 0.704 0.923 1.000 0.923 CA 1.398 14 residues pruned to eliminate duplicates Z: 11 14.671 1.988 0.736 0.815 0.800 0.500 CB 1.278 11 residues pruned to eliminate duplicates Z: 53 57.463 2.344 1.101 0.557 0.904 0.596 CB 1.695 53 residues pruned to eliminate duplicates Z: 15 37.486 2.307 0.884 0.851 1.000 0.786 CA 1.707 15 residues pruned to eliminate duplicates Z: 67 54.364 2.312 1.028 0.530 0.879 0.455 CB 1.577 67 residues pruned to eliminate duplicates Z: 6 7.275 2.072 0.966 0.495 0.800 0.600 CB 1.003 6 residues pruned to eliminate duplicates Z: 28 25.334 2.085 0.974 0.523 0.815 0.593 CB 1.420 28 residues pruned to eliminate duplicates Z: 7 21.184 2.016 0.926 0.881 1.000 0.500 CA 1.612 7 residues pruned to eliminate duplicates Z: 15 11.071 2.005 0.472 0.410 0.929 0.643 CB 1.186 15 residues pruned to eliminate duplicates Z: 7 4.655 1.986 0.163 0.359 0.833 0.500 CB 1.150 7 residues pruned to eliminate duplicates Z: 46 44.520 2.395 0.884 0.521 0.867 0.711 CB 1.662 46 residues pruned to eliminate duplicates Z: 14 26.389 2.119 1.122 0.672 1.000 0.769 CB 1.389 Z: 17 37.264 2.411 0.801 0.875 0.938 0.812 CB 1.664 17 residues pruned to eliminate duplicates Z: 57 55.623 2.337 0.983 0.577 0.911 0.589 CB 1.635 57 residues pruned to eliminate duplicates Z: 13 7.569 1.803 0.716 0.419 0.667 0.500 CB 1.153 Z: 23 26.625 2.178 0.651 0.544 0.909 0.545 CB 1.663 23 residues pruned to eliminate duplicates Z: 6 5.161 1.253 1.485 0.535 0.800 0.600 O 0.895 6 residues pruned to eliminate duplicates Z: 8 5.178 1.767 0.841 0.237 0.571 0.286 CB 1.428 8 residues pruned to eliminate duplicates Z: 6 7.738 2.124 0.300 0.260 1.000 0.600 CB 1.649 6 residues pruned to eliminate duplicates Z: 45 65.813 2.433 1.232 0.569 0.932 0.523 CB 1.834 45 residues pruned to eliminate duplicates Z: 11 30.574 2.472 1.030 0.775 0.900 0.600 CA 1.680 11 residues pruned to eliminate duplicates Z: 14 18.364 1.902 0.660 0.849 1.000 0.846 CB 1.195 24 residues pruned to eliminate duplicates Z: 17 41.923 2.195 1.005 0.894 1.000 0.875 CB 1.708 17 residues pruned to eliminate duplicates Z: 90 55.760 2.278 0.810 0.501 0.888 0.573 CB 1.613 90 residues pruned to eliminate duplicates Z: 40 31.273 2.171 0.880 0.475 0.872 0.590 CB 1.443 40 residues pruned to eliminate duplicates Z: 10 6.070 1.894 0.151 0.472 0.667 0.444 CB 1.433 Z: 12 18.448 2.052 1.176 0.654 0.818 0.364 CA 1.319 12 residues pruned to eliminate duplicates Z: 11 12.028 2.001 0.622 0.462 0.800 0.400 N 1.522 11 residues pruned to eliminate duplicates Z: 7 2.849 1.460 0.018 0.403 0.833 0.500 C 1.039 Z: 12 7.871 1.906 0.528 0.227 0.818 0.364 CB 1.370 Z: 19 18.105 2.056 0.663 0.473 0.833 0.389 CB 1.540 19 residues pruned to eliminate duplicates Z: 16 38.723 2.166 1.112 0.930 1.000 0.867 CB 1.528 16 residues pruned to eliminate duplicates Z: 65 34.302 2.192 0.728 0.418 0.844 0.359 CB 1.462 91 residues pruned to eliminate duplicates Z: 10 9.813 1.839 0.567 0.505 0.889 0.667 CB 1.271 Z: 8 17.602 1.900 0.783 0.856 1.000 0.571 CB 1.449 8 residues pruned to eliminate duplicates Z: 14 19.978 1.901 1.225 0.825 0.923 0.769 CB 1.072 Z: 13 20.269 1.993 0.662 0.914 1.000 1.000 CA 1.249 13 residues pruned to eliminate duplicates Z: 55 47.557 2.298 1.019 0.466 0.870 0.519 CB 1.659 55 residues pruned to eliminate duplicates Z: 13 31.562 2.165 0.962 0.921 0.917 0.917 CA 1.646 13 residues pruned to eliminate duplicates 8 1.234 1.534 0.217 0.319 0.429 0.429 CB 0.712 ? Z: 25 24.105 2.126 0.568 0.616 0.875 0.708 CB 1.511 25 residues pruned to eliminate duplicates Z: 10 15.517 1.946 0.819 0.648 0.889 0.556 N 1.433 10 residues pruned to eliminate duplicates Z: 8 5.011 1.800 0.269 0.270 0.857 0.429 CB 1.255 7 residues pruned to eliminate duplicates Z: 9 8.119 2.035 0.635 0.494 0.750 0.500 CB 1.157 9 residues pruned to eliminate duplicates Z: 12 26.264 2.085 0.917 0.850 1.000 0.455 CB 1.468 12 residues pruned to eliminate duplicates Z: 7 3.703 1.913 -0.062 0.450 1.000 0.333 CB 0.887 3 residues pruned to eliminate duplicates Z: 23 36.114 2.366 1.194 0.440 0.955 0.682 CB 1.654 23 residues pruned to eliminate duplicates Z: 10 6.271 1.950 0.609 0.541 0.778 0.556 CB 0.823 10 residues pruned to eliminate duplicates Z: 6 12.103 2.039 0.730 0.692 1.000 0.800 CB 1.288 Z: 6 7.018 1.985 0.410 0.666 0.800 0.800 CB 1.202 Z: 16 38.565 2.234 0.879 0.882 1.000 0.800 CA 1.716 16 residues pruned to eliminate duplicates Z: 6 2.688 1.420 -0.186 0.488 1.000 0.400 N 1.053 Z: 35 36.525 2.243 0.961 0.514 0.853 0.529 CB 1.647 35 residues pruned to eliminate duplicates Z: 8 16.723 1.912 0.861 0.895 0.857 0.571 CB 1.485 8 residues pruned to eliminate duplicates Z: 8 5.323 1.707 0.373 0.426 0.714 0.429 CB 1.297 7 residues pruned to eliminate duplicates Z: 9 5.294 1.445 0.172 0.544 0.875 0.500 CB 1.209 Z: 55 52.803 2.368 0.930 0.565 0.889 0.574 CB 1.662 55 residues pruned to eliminate duplicates Z: 6 2.699 1.628 0.626 0.440 0.600 0.400 CA 0.808 Z: 10 4.738 1.742 0.320 0.333 0.778 0.444 N 1.060 Z: 11 15.279 2.107 0.209 0.920 1.000 1.000 CA 1.336 11 residues pruned to eliminate duplicates Z: 96 55.964 2.259 0.939 0.452 0.863 0.537 CB 1.596 109 residues pruned to eliminate duplicates Z: 18 41.973 2.358 0.942 0.807 0.941 0.765 CA 1.807 18 residues pruned to eliminate duplicates Z: 19 15.478 2.037 0.724 0.515 0.722 0.500 CB 1.417 26 residues pruned to eliminate duplicates Z: 6 7.828 2.063 0.977 0.424 1.000 0.800 CA 0.929 6 residues pruned to eliminate duplicates Z: 13 22.635 1.845 0.880 0.818 0.917 0.500 CB 1.559 13 residues pruned to eliminate duplicates Z: 9 5.282 1.818 -0.017 0.520 0.875 0.750 CB 1.171 10 residues pruned to eliminate duplicates Z: 6 2.892 1.548 0.277 0.420 0.800 0.400 N 0.890 Z: 10 4.526 1.674 0.457 0.397 0.667 0.556 CB 1.034 Z: 18 12.117 1.986 0.456 0.313 1.000 0.294 CB 1.251 Z: 7 14.275 1.951 0.766 0.846 0.833 0.500 CB 1.507 7 residues pruned to eliminate duplicates Z: 10 5.679 1.748 0.816 0.238 0.667 0.333 CB 1.212 Z: 7 3.576 1.650 0.395 0.401 0.667 0.500 CB 1.056 7 residues pruned to eliminate duplicates Z: 105 85.020 2.370 1.103 0.542 0.923 0.606 CB 1.739 105 residues pruned to eliminate duplicates Z: 48 54.306 2.429 0.929 0.531 0.936 0.617 CB 1.752 48 residues pruned to eliminate duplicates Z: 12 23.816 2.236 0.533 0.854 0.909 0.909 CB 1.702 12 residues pruned to eliminate duplicates Z: 11 5.723 1.711 0.621 0.301 0.600 0.500 N 1.358 9 residues pruned to eliminate duplicates Z: 14 9.414 1.877 0.317 0.371 0.923 0.615 CB 1.313 14 residues pruned to eliminate duplicates Z: 6 16.190 2.071 1.379 0.687 0.800 0.800 CB 1.547 6 residues pruned to eliminate duplicates 6 1.978 1.720 -0.010 0.637 1.000 0.800 CB 0.457 ? Z: 8 3.335 1.812 0.445 0.252 0.714 0.429 CB 0.897 Z: 6 3.134 1.416 0.508 0.402 0.600 0.400 O 1.213 6 residues pruned to eliminate duplicates Z: 19 28.363 2.311 0.857 0.504 0.889 0.500 CB 1.746 19 residues pruned to eliminate duplicates Z: 16 36.220 2.227 1.100 0.868 0.933 0.533 CB 1.566 16 residues pruned to eliminate duplicates Z: 13 28.705 2.294 0.759 0.808 1.000 0.500 CA 1.570 13 residues pruned to eliminate duplicates Z: 7 12.218 1.778 0.619 0.819 1.000 0.667 CB 1.313 7 residues pruned to eliminate duplicates Z: 10 5.111 1.702 0.551 0.406 0.778 0.556 CB 0.917 Z: 22 15.784 2.047 0.426 0.461 0.810 0.476 CB 1.518 28 residues pruned to eliminate duplicates Z: 14 10.574 2.082 0.412 0.279 0.846 0.462 CB 1.513 14 residues pruned to eliminate duplicates Z: 27 14.672 2.050 0.566 0.346 0.769 0.423 CB 1.377 27 residues pruned to eliminate duplicates Z: 21 12.109 1.995 0.636 0.361 0.800 0.450 CB 1.205 21 residues pruned to eliminate duplicates Z: 23 33.942 2.181 0.996 0.560 0.955 0.545 CA 1.643 21 residues pruned to eliminate duplicates Z: 16 8.768 1.862 0.408 0.467 0.800 0.533 CB 1.116 16 residues pruned to eliminate duplicates Z: 12 29.363 1.936 1.085 0.925 1.000 0.636 CB 1.539 14 residues pruned to eliminate duplicates Z: 8 6.918 1.388 0.869 0.585 1.000 0.571 N 0.929 8 residues pruned to eliminate duplicates Z: 6 6.148 1.897 0.623 0.490 0.800 0.800 CB 1.128 Z: 8 5.803 1.735 0.469 0.214 0.857 0.429 CA 1.406 8 residues pruned to eliminate duplicates Z: 68 35.346 2.158 0.808 0.376 0.836 0.463 CB 1.511 68 residues pruned to eliminate duplicates Z: 7 4.086 1.735 0.225 0.250 0.833 0.333 O 1.256 Z: 12 16.157 2.274 0.597 0.534 0.818 0.636 CB 1.585 12 residues pruned to eliminate duplicates Z: 9 9.718 1.687 0.867 0.540 0.750 0.750 O 1.399 Z: 8 13.024 1.896 0.736 0.837 0.857 0.714 CA 1.305 8 residues pruned to eliminate duplicates Z: 18 16.893 1.943 0.693 0.498 0.824 0.588 CB 1.515 18 residues pruned to eliminate duplicates Z: 8 13.744 1.994 0.941 0.451 0.857 0.714 N 1.646 9 residues pruned to eliminate duplicates Z: 6 3.537 1.515 0.445 0.282 0.800 0.400 CA 1.155 Z: 52 32.033 2.116 0.861 0.483 0.784 0.549 CB 1.476 52 residues pruned to eliminate duplicates Z: 6 2.569 1.824 0.149 0.298 0.600 0.600 CB 1.145 Z: 39 52.047 2.420 1.095 0.552 0.921 0.658 CB 1.718 39 residues pruned to eliminate duplicates Z: 13 29.475 2.315 1.220 0.842 0.917 0.833 CA 1.346 13 residues pruned to eliminate duplicates Z: 33 36.163 2.240 0.868 0.612 0.938 0.562 CB 1.465 33 residues pruned to eliminate duplicates Z: 9 8.702 1.872 0.528 0.457 0.875 0.625 CB 1.283 8 residues pruned to eliminate duplicates Z: 8 17.528 1.917 0.619 0.891 1.000 0.714 CA 1.534 8 residues pruned to eliminate duplicates Z: 10 2.930 1.905 -0.018 0.498 0.889 0.667 CB 0.589 Z: 6 2.425 1.890 -0.220 0.658 0.800 0.800 CB 0.794 Z: 18 18.222 2.225 0.495 0.397 0.882 0.647 CB 1.678 17 residues pruned to eliminate duplicates Z: 6 2.770 1.900 0.383 0.264 0.800 0.400 CB 0.771 Z: 10 2.763 1.454 0.323 0.269 0.667 0.333 CB 0.935 Z: 31 32.042 2.212 0.883 0.555 0.900 0.500 CB 1.480 31 residues pruned to eliminate duplicates Z: 9 11.927 2.076 0.755 0.614 0.875 0.375 CB 1.188 9 residues pruned to eliminate duplicates Z: 16 5.502 1.907 0.258 0.386 0.800 0.533 CB 0.835 16 residues pruned to eliminate duplicates Z: 80 56.993 2.236 0.919 0.470 0.924 0.557 CB 1.667 80 residues pruned to eliminate duplicates Z: 18 17.481 1.958 0.607 0.528 0.882 0.588 CB 1.486 18 residues pruned to eliminate duplicates Z: 7 8.612 1.876 0.708 0.839 0.500 0.333 N 1.638 7 residues pruned to eliminate duplicates Z: 18 22.577 2.202 1.001 0.526 0.882 0.588 CB 1.373 18 residues pruned to eliminate duplicates Z: 11 15.096 2.199 0.833 0.503 0.900 0.700 CB 1.312 11 residues pruned to eliminate duplicates Z: 6 2.968 1.645 0.873 0.322 0.800 0.400 N 0.655 Z: 27 25.564 2.211 0.814 0.406 0.885 0.385 CB 1.560 27 residues pruned to eliminate duplicates Z: 93 62.392 2.236 0.967 0.549 0.891 0.543 CB 1.582 88 residues pruned to eliminate duplicates Z: 8 5.392 1.847 0.318 0.438 0.714 0.429 CB 1.250 Z: 15 17.311 2.034 0.712 0.481 0.857 0.357 CB 1.580 15 residues pruned to eliminate duplicates Z: 8 12.562 1.888 0.368 0.812 1.000 1.000 CB 1.401 8 residues pruned to eliminate duplicates Z: 6 5.022 1.235 1.014 0.521 1.000 0.600 N 0.885 6 residues pruned to eliminate duplicates Z: 14 27.836 2.283 1.055 0.572 0.923 0.615 CB 1.664 14 residues pruned to eliminate duplicates Z: 6 2.264 1.622 0.832 0.473 0.800 0.600 CB 0.438 Z: 8 2.362 1.362 0.964 0.272 0.714 0.429 CB 0.606 Z: 7 5.054 1.844 0.360 0.322 0.833 0.667 CB 1.201 Z: 12 28.557 2.146 0.856 0.925 1.000 0.909 CA 1.516 12 residues pruned to eliminate duplicates Z: 33 35.735 2.150 1.009 0.528 0.906 0.625 CB 1.570 33 residues pruned to eliminate duplicates Z: 7 5.686 1.871 0.280 0.405 0.833 0.667 CB 1.287 Z: 7 3.754 1.658 0.743 0.231 0.667 0.500 CB 1.088 Z: 11 11.253 2.112 0.559 0.441 0.900 0.500 CA 1.277 7 residues pruned to eliminate duplicates Z: 16 41.666 2.331 0.859 0.885 1.000 0.800 CB 1.793 16 residues pruned to eliminate duplicates Z: 80 61.521 2.364 0.983 0.479 0.886 0.468 CB 1.702 80 residues pruned to eliminate duplicates Z: 18 16.731 2.164 0.775 0.540 0.882 0.529 CB 1.151 18 residues pruned to eliminate duplicates Z: 17 19.054 2.209 0.844 0.541 0.875 0.562 CB 1.283 17 residues pruned to eliminate duplicates Z: 17 27.711 2.167 0.718 0.872 0.875 0.688 CA 1.550 17 residues pruned to eliminate duplicates Z: 16 42.905 2.501 0.895 0.887 0.933 0.867 CA 1.806 16 residues pruned to eliminate duplicates Z: 6 8.432 1.980 0.824 0.642 0.800 0.600 CB 1.143 Z: 51 50.542 2.364 0.963 0.473 0.900 0.580 CB 1.759 51 residues pruned to eliminate duplicates Z: 8 4.208 1.532 0.590 0.451 0.857 0.429 CB 0.801 5 residues pruned to eliminate duplicates Z: 8 3.512 1.823 0.195 0.341 0.857 0.714 CB 0.846 Z: 18 13.605 2.134 0.598 0.509 0.824 0.588 CB 1.164 18 residues pruned to eliminate duplicates Z: 49 36.977 2.153 0.775 0.522 0.854 0.583 CB 1.599 49 residues pruned to eliminate duplicates Z: 66 50.437 2.278 0.901 0.468 0.892 0.554 CB 1.673 66 residues pruned to eliminate duplicates Z: 15 35.696 2.361 0.862 0.883 0.929 0.786 CA 1.690 15 residues pruned to eliminate duplicates Z: 8 5.796 1.857 0.567 0.640 0.714 0.714 CB 0.925 8 residues pruned to eliminate duplicates Z: 7 11.891 1.934 0.317 0.847 1.000 0.667 CB 1.415 7 residues pruned to eliminate duplicates Z: 9 6.586 1.688 0.813 0.760 0.625 0.500 CB 0.966 9 residues pruned to eliminate duplicates Z: 10 31.485 2.239 0.995 0.906 1.000 0.556 CB 1.672 10 residues pruned to eliminate duplicates Z: 32 34.017 2.411 0.832 0.487 0.871 0.677 CB 1.609 32 residues pruned to eliminate duplicates Z: 9 4.042 1.753 0.826 0.380 0.750 0.375 CB 0.677 Z: 7 3.344 1.567 -0.007 0.534 0.833 0.500 CB 1.019 Z: 14 15.891 2.060 0.707 0.441 0.923 0.538 CB 1.442 14 residues pruned to eliminate duplicates Z: 12 31.376 2.031 1.501 0.897 1.000 0.818 CA 1.333 12 residues pruned to eliminate duplicates Z: 27 18.491 2.133 0.816 0.286 0.808 0.462 CB 1.475 27 residues pruned to eliminate duplicates Z: 10 31.321 2.167 1.313 0.895 0.889 0.333 CB 1.679 10 residues pruned to eliminate duplicates Z: 72 50.879 2.288 0.883 0.441 0.845 0.394 CB 1.762 72 residues pruned to eliminate duplicates Z: 11 23.853 2.127 0.913 0.909 0.900 0.700 CB 1.462 11 residues pruned to eliminate duplicates Z: 12 16.008 2.026 0.511 0.852 0.909 0.727 CA 1.282 12 residues pruned to eliminate duplicates Z: 60 61.883 2.426 1.033 0.540 0.915 0.576 CB 1.716 60 residues pruned to eliminate duplicates Z: 16 33.336 2.333 0.756 0.880 0.933 0.867 CB 1.631 16 residues pruned to eliminate duplicates Z: 17 11.401 1.953 0.800 0.275 0.812 0.188 CB 1.288 17 residues pruned to eliminate duplicates Z: 7 7.151 1.474 0.708 0.767 0.833 0.333 CA 1.098 Z: 10 7.888 1.788 0.679 0.408 0.778 0.556 CB 1.240 10 residues pruned to eliminate duplicates Z: 19 12.969 2.002 0.675 0.387 0.778 0.500 CB 1.321 19 residues pruned to eliminate duplicates Z: 10 2.570 1.601 0.208 0.384 0.667 0.333 CB 0.751 Z: 41 32.626 2.172 0.837 0.474 0.850 0.500 CB 1.562 41 residues pruned to eliminate duplicates Z: 10 6.208 1.687 0.948 0.293 0.778 0.222 CB 1.021 10 residues pruned to eliminate duplicates Z: 20 23.421 2.118 0.827 0.533 0.895 0.579 CB 1.503 20 residues pruned to eliminate duplicates Z: 21 11.561 1.894 0.509 0.516 0.900 0.750 CB 0.989 Z: 76 49.819 2.264 0.807 0.508 0.867 0.600 CB 1.610 76 residues pruned to eliminate duplicates Z: 6 5.079 1.760 0.483 0.391 0.800 0.600 CA 1.220 6 residues pruned to eliminate duplicates Z: 25 26.016 2.368 0.801 0.420 0.833 0.625 CB 1.625 25 residues pruned to eliminate duplicates Z: 7 15.859 1.896 0.965 0.855 0.833 0.833 N 1.540 7 residues pruned to eliminate duplicates Z: 7 7.205 2.245 0.457 0.112 0.833 0.500 CA 1.764 7 residues pruned to eliminate duplicates Z: 6 2.857 1.486 0.304 0.299 1.000 0.800 CB 0.825 Z: 15 23.324 2.222 0.385 0.877 1.000 0.643 CA 1.471 15 residues pruned to eliminate duplicates Z: 9 5.345 1.714 0.282 0.434 0.875 0.625 CB 1.053 Z: 8 5.397 1.539 0.713 0.211 0.857 0.571 CB 1.270 Z: 6 5.285 1.920 0.217 0.589 1.000 0.600 CB 0.929 Z: 66 46.767 2.241 0.929 0.491 0.892 0.523 CB 1.518 66 residues pruned to eliminate duplicates Z: 14 13.838 2.128 0.326 0.380 0.923 0.462 CB 1.675 17 residues pruned to eliminate duplicates Z: 17 20.553 2.054 0.679 0.747 0.875 0.750 CB 1.366 17 residues pruned to eliminate duplicates Z: 7 4.758 1.456 0.744 0.250 0.833 0.667 C 1.225 Z: 15 31.249 2.230 0.710 0.892 1.000 0.643 CB 1.574 15 residues pruned to eliminate duplicates Z: 31 23.849 2.345 0.633 0.393 0.800 0.567 CB 1.590 31 residues pruned to eliminate duplicates Z: 30 33.288 2.296 0.871 0.477 0.931 0.655 CB 1.582 37 residues pruned to eliminate duplicates Z: 8 6.929 2.115 0.461 0.561 0.714 0.429 CB 1.118 Z: 11 14.088 2.128 0.554 0.451 0.800 0.500 CB 1.770 11 residues pruned to eliminate duplicates Z: 57 65.930 2.373 1.123 0.515 0.946 0.500 CB 1.821 57 residues pruned to eliminate duplicates Z: 6 7.454 1.889 0.289 0.821 1.000 0.800 CA 1.037 6 residues pruned to eliminate duplicates Z: 6 4.715 1.949 0.692 0.416 0.600 0.600 CA 1.163 6 residues pruned to eliminate duplicates Z: 18 8.660 1.699 0.738 0.340 0.765 0.412 CB 1.107 28 residues pruned to eliminate duplicates Z: 9 3.099 1.853 -0.223 0.241 0.875 0.375 CB 1.173 8 residues pruned to eliminate duplicates Z: 11 20.521 2.028 0.933 0.864 1.000 0.600 CB 1.213 11 residues pruned to eliminate duplicates Z: 20 19.933 2.173 0.621 0.433 0.842 0.526 CB 1.653 16 residues pruned to eliminate duplicates Z: 57 50.371 2.281 0.897 0.492 0.946 0.571 CB 1.656 57 residues pruned to eliminate duplicates Z: 8 2.906 1.586 0.657 0.206 0.571 0.571 CB 1.037 Z: 33 39.790 2.285 0.978 0.527 0.906 0.656 CB 1.672 33 residues pruned to eliminate duplicates Z: 41 43.885 2.336 0.992 0.433 0.900 0.450 CA 1.777 41 residues pruned to eliminate duplicates Z: 12 8.283 1.661 0.480 0.580 0.909 0.727 CB 1.035 Z: 8 4.253 1.483 0.934 0.356 0.857 0.429 CB 0.764 Z: 7 7.014 1.670 0.333 0.514 1.000 0.333 CA 1.269 7 residues pruned to eliminate duplicates Z: 14 9.049 1.865 0.753 0.555 0.692 0.538 CB 1.052 Z: 6 3.291 1.338 0.486 0.327 0.800 0.400 O 1.119 6 residues pruned to eliminate duplicates Z: 27 26.477 2.225 0.748 0.465 0.846 0.423 CB 1.635 27 residues pruned to eliminate duplicates Z: 65 51.796 2.316 0.943 0.543 0.906 0.578 CB 1.521 74 residues pruned to eliminate duplicates Z: 47 38.067 2.241 0.774 0.488 0.826 0.609 CB 1.729 47 residues pruned to eliminate duplicates Z: 11 8.368 1.941 0.418 0.207 0.900 0.300 CB 1.512 11 residues pruned to eliminate duplicates Z: 30 25.642 2.222 1.020 0.405 0.862 0.517 CB 1.359 30 residues pruned to eliminate duplicates Z: 13 14.741 2.114 0.862 0.425 0.750 0.667 CB 1.558 13 residues pruned to eliminate duplicates Z: 10 2.386 1.330 0.090 0.323 0.667 0.444 N 1.000 Z: 14 25.414 1.868 1.196 0.875 1.000 0.846 CB 1.250 12 residues pruned to eliminate duplicates Z: 8 12.834 1.949 0.540 0.874 1.000 0.714 CB 1.176 8 residues pruned to eliminate duplicates Z: 17 38.586 2.440 0.805 0.880 0.938 0.688 CA 1.694 17 residues pruned to eliminate duplicates Z: 60 45.679 2.287 0.759 0.491 0.915 0.576 CB 1.629 60 residues pruned to eliminate duplicates Z: 15 10.855 1.941 0.477 0.338 0.714 0.429 N 1.690 15 residues pruned to eliminate duplicates Z: 14 34.448 2.226 1.157 0.896 1.000 0.769 CB 1.425 14 residues pruned to eliminate duplicates Z: 15 21.922 2.106 1.172 0.455 1.000 0.500 CB 1.341 15 residues pruned to eliminate duplicates Z: 39 20.217 2.017 0.848 0.317 0.789 0.526 CB 1.364 39 residues pruned to eliminate duplicates Z: 11 12.868 2.179 0.582 0.515 0.900 0.800 CB 1.292 11 residues pruned to eliminate duplicates Z: 17 18.584 2.027 0.774 0.472 0.875 0.750 CB 1.519 17 residues pruned to eliminate duplicates Z: 20 24.512 2.132 1.203 0.527 0.895 0.526 CB 1.303 19 residues pruned to eliminate duplicates Z: 39 46.144 2.292 1.133 0.501 0.895 0.605 CB 1.711 39 residues pruned to eliminate duplicates Z: 97 55.474 2.203 0.958 0.469 0.885 0.542 CB 1.529 97 residues pruned to eliminate duplicates Z: 50 59.348 2.484 1.074 0.504 0.898 0.510 CB 1.826 50 residues pruned to eliminate duplicates Z: 37 40.937 2.312 1.038 0.503 0.917 0.417 CB 1.575 37 residues pruned to eliminate duplicates Z: 6 5.330 1.806 0.374 0.453 0.800 0.600 CB 1.259 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 10.865 1.983 0.403 0.394 0.909 0.727 CB 1.450 12 residues pruned to eliminate duplicates Z: 13 8.980 1.977 0.397 0.338 0.917 0.583 CA 1.222 13 residues pruned to eliminate duplicates Z: 34 27.064 2.195 0.783 0.442 0.879 0.576 CB 1.454 34 residues pruned to eliminate duplicates Z: 40 29.218 2.241 0.687 0.430 0.897 0.513 CB 1.482 40 residues pruned to eliminate duplicates Z: 21 11.662 2.152 0.416 0.407 0.850 0.500 CB 1.110 21 residues pruned to eliminate duplicates Z: 42 33.876 2.263 0.873 0.426 0.829 0.512 CB 1.625 41 residues pruned to eliminate duplicates Z: 11 30.821 2.156 1.219 0.914 1.000 0.800 CB 1.441 11 residues pruned to eliminate duplicates Z: 11 25.973 2.024 1.070 0.866 1.000 0.900 CB 1.435 11 residues pruned to eliminate duplicates Z: 11 30.977 2.163 1.285 0.928 1.000 0.800 CB 1.388 11 residues pruned to eliminate duplicates Z: 12 31.317 2.174 1.351 0.736 0.909 0.727 CB 1.645 12 residues pruned to eliminate duplicates Z: 12 29.583 2.239 1.055 0.737 1.000 0.818 CB 1.567 12 residues pruned to eliminate duplicates Z: 13 26.347 2.199 0.987 0.643 0.917 0.583 CB 1.661 13 residues pruned to eliminate duplicates Z: 15 21.149 2.231 0.873 0.641 0.714 0.571 CB 1.660 15 residues pruned to eliminate duplicates Z: 15 20.487 2.073 0.695 0.587 0.929 0.714 CB 1.544 15 residues pruned to eliminate duplicates Z: 12 32.783 2.081 1.196 0.829 1.000 0.818 CB 1.628 12 residues pruned to eliminate duplicates Z: 19 18.930 2.076 1.095 0.418 0.833 0.500 CB 1.341 19 residues pruned to eliminate duplicates Z: 13 19.265 1.988 0.909 0.447 1.000 0.750 CB 1.546 13 residues pruned to eliminate duplicates Z: 12 22.110 2.146 0.948 0.414 1.000 0.636 CA 1.745 12 residues pruned to eliminate duplicates Z: 12 15.498 1.905 1.103 0.539 0.818 0.636 CA 1.372 12 residues pruned to eliminate duplicates Z: 6 7.110 1.947 0.918 0.366 1.000 0.400 CA 0.983 6 residues pruned to eliminate duplicates Z: 39 35.722 2.239 0.942 0.430 0.895 0.500 CB 1.602 39 residues pruned to eliminate duplicates Z: 40 30.587 2.185 1.008 0.459 0.821 0.564 CB 1.419 40 residues pruned to eliminate duplicates Z: 19 22.987 2.211 1.060 0.425 0.889 0.389 CB 1.447 19 residues pruned to eliminate duplicates Z: 17 24.430 2.237 1.144 0.454 0.875 0.500 CB 1.525 17 residues pruned to eliminate duplicates Z: 10 14.987 1.674 1.308 0.598 0.889 0.556 C 1.325 10 residues pruned to eliminate duplicates Z: 39 32.350 2.215 0.916 0.462 0.868 0.526 CB 1.480 39 residues pruned to eliminate duplicates Z: 37 30.245 2.162 0.955 0.467 0.917 0.556 CB 1.345 37 residues pruned to eliminate duplicates Z: 19 19.475 2.106 0.895 0.483 0.889 0.500 CB 1.317 19 residues pruned to eliminate duplicates Z: 17 23.839 2.196 1.080 0.454 0.938 0.375 CB 1.458 17 residues pruned to eliminate duplicates Z: 21 28.077 2.346 0.804 0.487 0.850 0.550 CB 1.768 21 residues pruned to eliminate duplicates Z: 24 27.238 2.279 0.791 0.461 0.826 0.522 CB 1.753 24 residues pruned to eliminate duplicates Z: 26 28.285 2.217 0.953 0.426 0.920 0.600 CB 1.534 26 residues pruned to eliminate duplicates Z: 28 29.249 2.239 0.965 0.458 0.778 0.630 CB 1.717 28 residues pruned to eliminate duplicates Z: 25 30.830 2.293 1.060 0.394 0.833 0.542 CB 1.788 25 residues pruned to eliminate duplicates Z: 21 36.533 2.330 1.255 0.453 0.900 0.550 CB 1.813 21 residues pruned to eliminate duplicates Z: 23 30.466 2.322 1.017 0.460 0.818 0.455 CB 1.767 23 residues pruned to eliminate duplicates Z: 23 37.202 2.314 1.239 0.446 0.864 0.591 CB 1.875 23 residues pruned to eliminate duplicates Z: 30 26.540 2.289 1.005 0.366 0.759 0.414 CB 1.634 30 residues pruned to eliminate duplicates Z: 27 28.064 2.216 0.942 0.374 0.885 0.462 CB 1.654 27 residues pruned to eliminate duplicates Z: 37 34.459 2.306 0.823 0.509 0.889 0.611 CB 1.524 48 residues pruned to eliminate duplicates Z: 6 5.938 1.795 0.605 0.336 0.800 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 25 36.180 2.381 1.029 0.537 0.833 0.625 CB 1.768 25 residues pruned to eliminate duplicates Z: 51 39.026 2.270 0.813 0.458 0.880 0.560 CB 1.590 51 residues pruned to eliminate duplicates Z: 68 48.372 2.285 0.882 0.482 0.866 0.582 CB 1.617 68 residues pruned to eliminate duplicates Z: 56 44.135 2.336 0.821 0.488 0.855 0.564 CB 1.656 56 residues pruned to eliminate duplicates Z: 63 56.691 2.346 0.959 0.492 0.935 0.629 CB 1.688 63 residues pruned to eliminate duplicates Z: 48 39.624 2.383 0.773 0.482 0.872 0.468 CB 1.597 48 residues pruned to eliminate duplicates Z: 65 48.271 2.340 0.936 0.441 0.844 0.516 CB 1.677 65 residues pruned to eliminate duplicates Z: 68 49.733 2.309 0.879 0.510 0.896 0.463 CB 1.549 68 residues pruned to eliminate duplicates Z: 44 41.706 2.366 0.828 0.550 0.860 0.698 CB 1.627 44 residues pruned to eliminate duplicates Z: 25 32.169 2.349 0.771 0.592 0.875 0.708 CB 1.653 25 residues pruned to eliminate duplicates Z: 17 34.340 2.318 1.071 0.793 0.875 0.562 CB 1.581 17 residues pruned to eliminate duplicates Z: 27 27.212 2.219 0.778 0.622 0.808 0.615 CB 1.493 27 residues pruned to eliminate duplicates Z: 41 39.652 2.327 0.768 0.556 0.850 0.550 CB 1.698 41 residues pruned to eliminate duplicates Z: 21 25.966 2.190 1.001 0.683 0.850 0.500 CB 1.317 21 residues pruned to eliminate duplicates Z: 75 51.113 2.242 0.972 0.462 0.892 0.500 CB 1.566 75 residues pruned to eliminate duplicates Z: 26 36.524 2.337 0.963 0.669 0.920 0.480 CB 1.481 26 residues pruned to eliminate duplicates Z: 33 26.370 2.140 0.999 0.501 0.812 0.500 CB 1.341 33 residues pruned to eliminate duplicates Z: 38 44.629 2.333 1.027 0.545 0.919 0.676 CB 1.616 38 residues pruned to eliminate duplicates Z: 60 52.269 2.302 1.000 0.562 0.898 0.525 CB 1.549 60 residues pruned to eliminate duplicates Z: 34 29.146 2.157 1.042 0.514 0.788 0.455 CB 1.442 34 residues pruned to eliminate duplicates Z: 48 45.931 2.323 0.956 0.536 0.894 0.447 CB 1.593 48 residues pruned to eliminate duplicates Z: 62 55.727 2.299 0.979 0.548 0.934 0.492 CB 1.601 62 residues pruned to eliminate duplicates Z: 87 51.476 2.262 0.970 0.466 0.837 0.535 CB 1.541 87 residues pruned to eliminate duplicates Z: 71 53.173 2.384 0.896 0.503 0.871 0.529 CB 1.608 71 residues pruned to eliminate duplicates Z: 61 57.779 2.366 0.956 0.516 0.933 0.583 CB 1.699 61 residues pruned to eliminate duplicates Z: 38 45.129 2.361 0.983 0.534 0.919 0.676 CB 1.668 38 residues pruned to eliminate duplicates Z: 38 52.930 2.370 1.094 0.571 0.973 0.459 CB 1.682 38 residues pruned to eliminate duplicates Z: 84 60.130 2.317 1.032 0.508 0.867 0.530 CB 1.604 84 residues pruned to eliminate duplicates Z: 39 39.122 2.294 0.924 0.513 0.868 0.632 CB 1.634 39 residues pruned to eliminate duplicates Z: 39 45.689 2.407 1.169 0.541 0.868 0.421 CB 1.570 39 residues pruned to eliminate duplicates Z: 89 54.121 2.269 0.951 0.469 0.909 0.591 CB 1.478 89 residues pruned to eliminate duplicates Z: 47 48.669 2.288 1.028 0.529 0.913 0.630 CB 1.647 47 residues pruned to eliminate duplicates Z: 90 62.183 2.338 0.930 0.524 0.899 0.539 CB 1.587 90 residues pruned to eliminate duplicates Z: 37 50.705 2.406 1.012 0.559 0.972 0.639 CB 1.695 37 residues pruned to eliminate duplicates Z: 39 43.865 2.321 1.008 0.534 0.921 0.553 CB 1.604 39 residues pruned to eliminate duplicates Z: 39 36.507 2.254 0.967 0.480 0.868 0.579 CB 1.571 39 residues pruned to eliminate duplicates Z: 44 48.550 2.382 1.011 0.549 0.907 0.674 CB 1.624 44 residues pruned to eliminate duplicates Z: 78 57.728 2.328 1.046 0.491 0.896 0.429 CB 1.555 78 residues pruned to eliminate duplicates Z: 9 14.343 2.143 1.192 0.721 0.750 0.375 CB 1.178 9 residues pruned to eliminate duplicates Z: 44 32.730 2.206 0.988 0.440 0.791 0.465 CB 1.530 44 residues pruned to eliminate duplicates Z: 82 65.341 2.328 1.053 0.510 0.901 0.605 CB 1.669 82 residues pruned to eliminate duplicates Z: 54 44.404 2.274 1.040 0.470 0.887 0.415 CB 1.528 54 residues pruned to eliminate duplicates Z: 81 58.472 2.282 0.972 0.490 0.875 0.562 CB 1.677 81 residues pruned to eliminate duplicates Z: 83 63.795 2.301 1.039 0.525 0.915 0.549 CB 1.601 83 residues pruned to eliminate duplicates Z: 84 60.858 2.327 0.989 0.489 0.904 0.470 CB 1.616 84 residues pruned to eliminate duplicates Z: 81 68.288 2.320 1.126 0.531 0.938 0.538 CB 1.602 81 residues pruned to eliminate duplicates Z: 24 34.286 2.245 1.237 0.566 0.826 0.522 CB 1.617 24 residues pruned to eliminate duplicates Z: 27 31.656 2.119 1.093 0.518 0.923 0.423 CB 1.489 27 residues pruned to eliminate duplicates Z: 24 36.185 2.249 1.088 0.563 0.957 0.478 CB 1.580 24 residues pruned to eliminate duplicates Z: 50 52.097 2.273 1.055 0.596 0.939 0.490 CB 1.549 50 residues pruned to eliminate duplicates Z: 60 51.462 2.291 1.002 0.504 0.949 0.458 CB 1.532 60 residues pruned to eliminate duplicates Z: 26 33.162 2.171 0.936 0.587 0.960 0.520 CB 1.512 26 residues pruned to eliminate duplicates Z: 49 48.849 2.282 0.974 0.557 0.896 0.583 CB 1.653 49 residues pruned to eliminate duplicates Z: 27 26.142 2.145 0.820 0.474 0.923 0.462 CB 1.460 27 residues pruned to eliminate duplicates Z: 28 31.067 2.124 1.045 0.570 0.926 0.481 CB 1.390 28 residues pruned to eliminate duplicates Z: 61 54.844 2.303 0.978 0.530 0.933 0.533 CB 1.616 61 residues pruned to eliminate duplicates Z: 26 33.532 2.179 0.986 0.560 0.960 0.600 CB 1.523 26 residues pruned to eliminate duplicates Z: 25 37.040 2.242 1.268 0.573 0.917 0.583 CB 1.512 25 residues pruned to eliminate duplicates Z: 27 32.479 2.204 0.978 0.515 0.962 0.462 CB 1.497 27 residues pruned to eliminate duplicates Z: 64 55.963 2.235 1.142 0.511 0.937 0.444 CB 1.554 64 residues pruned to eliminate duplicates Z: 28 29.696 2.123 0.960 0.534 0.926 0.444 CB 1.435 28 residues pruned to eliminate duplicates Z: 43 40.971 2.220 1.033 0.457 0.905 0.571 CB 1.618 43 residues pruned to eliminate duplicates Z: 61 56.137 2.294 1.054 0.550 0.917 0.583 CB 1.599 61 residues pruned to eliminate duplicates Z: 107 71.308 2.341 0.986 0.526 0.877 0.547 CB 1.654 107 residues pruned to eliminate duplicates Z: 74 58.690 2.286 1.013 0.500 0.932 0.548 CB 1.603 74 residues pruned to eliminate duplicates Z: 64 55.328 2.327 1.028 0.559 0.841 0.540 CB 1.659 64 residues pruned to eliminate duplicates Z: 105 65.698 2.329 0.955 0.502 0.875 0.490 CB 1.615 105 residues pruned to eliminate duplicates Z: 40 52.670 2.400 1.023 0.568 0.923 0.487 CB 1.762 40 residues pruned to eliminate duplicates Z: 52 42.784 2.322 0.829 0.503 0.824 0.490 CB 1.708 52 residues pruned to eliminate duplicates Z: 38 50.427 2.403 0.950 0.565 0.919 0.595 CB 1.807 38 residues pruned to eliminate duplicates Z: 28 42.480 2.378 1.082 0.576 0.926 0.704 CB 1.657 28 residues pruned to eliminate duplicates Z: 22 51.935 2.494 1.113 0.711 0.952 0.667 CB 1.865 22 residues pruned to eliminate duplicates Z: 24 39.728 2.385 0.983 0.660 0.957 0.739 CB 1.578 24 residues pruned to eliminate duplicates Z: 25 37.110 2.279 0.961 0.638 0.958 0.708 CB 1.554 25 residues pruned to eliminate duplicates Z: 23 43.686 2.428 1.048 0.677 0.909 0.636 CB 1.750 23 residues pruned to eliminate duplicates Z: 27 31.610 2.311 0.843 0.546 0.885 0.654 CB 1.574 27 residues pruned to eliminate duplicates Z: 41 48.697 2.375 0.944 0.561 0.875 0.600 CB 1.797 41 residues pruned to eliminate duplicates Z: 24 41.170 2.354 1.068 0.666 0.957 0.783 CB 1.581 24 residues pruned to eliminate duplicates Z: 24 40.068 2.351 1.001 0.656 0.957 0.739 CB 1.607 24 residues pruned to eliminate duplicates Z: 38 51.915 2.416 1.004 0.595 0.919 0.622 CB 1.752 38 residues pruned to eliminate duplicates Z: 104 69.488 2.328 1.004 0.502 0.903 0.495 CB 1.623 104 residues pruned to eliminate duplicates Z: 40 45.669 2.393 0.984 0.561 0.872 0.538 CB 1.665 40 residues pruned to eliminate duplicates Z: 40 50.257 2.377 1.075 0.564 0.897 0.538 CB 1.708 40 residues pruned to eliminate duplicates Z: 67 54.931 2.310 0.975 0.541 0.864 0.545 CB 1.649 67 residues pruned to eliminate duplicates Z: 40 51.513 2.405 1.043 0.547 0.897 0.590 CB 1.787 40 residues pruned to eliminate duplicates Z: 24 43.138 2.387 1.146 0.672 0.913 0.739 CB 1.641 24 residues pruned to eliminate duplicates Z: 66 51.968 2.243 1.009 0.505 0.862 0.538 CB 1.653 66 residues pruned to eliminate duplicates Z: 42 51.126 2.362 1.019 0.530 0.927 0.512 CB 1.754 42 residues pruned to eliminate duplicates Z: 38 56.191 2.381 1.154 0.575 0.946 0.568 CB 1.772 38 residues pruned to eliminate duplicates Z: 17 29.793 2.421 0.823 0.506 0.938 0.438 CA 1.789 17 residues pruned to eliminate duplicates Z: 39 42.137 2.349 0.815 0.533 0.868 0.500 CB 1.787 39 residues pruned to eliminate duplicates Z: 28 15.271 2.125 0.913 0.313 0.593 0.370 CB 1.500 28 residues pruned to eliminate duplicates Z: 6 2.887 1.461 0.790 0.295 0.800 0.400 CA 0.776 6 residues pruned to eliminate duplicates Z: 64 51.782 2.282 1.052 0.528 0.841 0.540 CB 1.611 64 residues pruned to eliminate duplicates Z: 18 29.623 2.241 1.047 0.534 0.824 0.353 CA 1.840 18 residues pruned to eliminate duplicates Z: 14 34.938 2.422 1.218 0.567 0.923 0.462 CA 1.832 14 residues pruned to eliminate duplicates Z: 19 18.276 2.222 0.710 0.424 0.722 0.444 CA 1.698 19 residues pruned to eliminate duplicates Z: 29 29.744 2.238 0.925 0.434 0.821 0.464 CB 1.700 45 residues pruned to eliminate duplicates Z: 6 5.337 1.590 0.956 0.228 1.000 0.200 CA 1.054 6 residues pruned to eliminate duplicates Z: 28 29.020 2.289 0.984 0.457 0.741 0.481 CA 1.734 28 residues pruned to eliminate duplicates Z: 25 27.968 2.211 1.005 0.403 0.833 0.417 CB 1.712 25 residues pruned to eliminate duplicates Z: 28 29.777 2.281 0.944 0.440 0.741 0.370 CB 1.857 28 residues pruned to eliminate duplicates Z: 67 51.872 2.322 0.915 0.510 0.848 0.485 CB 1.675 67 residues pruned to eliminate duplicates Z: 8 3.608 1.704 0.889 0.135 0.571 0.143 CA 1.169 8 residues pruned to eliminate duplicates Z: 11 6.504 1.798 0.760 0.256 0.900 0.400 CB 0.956 11 residues pruned to eliminate duplicates Z: 14 11.543 2.025 0.655 0.298 1.000 0.385 CB 1.197 14 residues pruned to eliminate duplicates Z: 11 9.644 2.071 0.570 0.221 0.800 0.500 CB 1.626 11 residues pruned to eliminate duplicates Z: 10 6.062 2.069 0.751 0.187 0.778 0.222 CB 1.044 10 residues pruned to eliminate duplicates Z: 24 19.389 2.156 0.784 0.367 0.870 0.435 CB 1.395 24 residues pruned to eliminate duplicates Z: 45 39.673 2.335 0.926 0.497 0.841 0.545 CB 1.586 45 residues pruned to eliminate duplicates Z: 9 11.001 2.116 0.702 0.351 1.000 0.625 CA 1.270 9 residues pruned to eliminate duplicates Z: 18 12.861 2.177 0.742 0.313 0.706 0.471 CB 1.433 18 residues pruned to eliminate duplicates Z: 18 17.634 2.086 0.886 0.317 0.824 0.412 CB 1.616 18 residues pruned to eliminate duplicates Z: 14 23.387 2.341 0.870 0.511 0.846 0.692 CA 1.731 14 residues pruned to eliminate duplicates Z: 17 20.168 2.250 0.876 0.445 0.812 0.500 CB 1.556 17 residues pruned to eliminate duplicates Z: 45 41.982 2.380 0.936 0.534 0.841 0.591 CB 1.580 45 residues pruned to eliminate duplicates Z: 24 17.741 1.911 0.812 0.362 0.826 0.478 CB 1.500 24 residues pruned to eliminate duplicates Z: 16 16.489 2.328 0.835 0.429 0.800 0.600 CB 1.342 16 residues pruned to eliminate duplicates Z: 15 21.571 2.370 0.646 0.477 0.857 0.500 CB 1.766 15 residues pruned to eliminate duplicates Z: 35 26.327 2.221 0.843 0.387 0.765 0.382 CB 1.627 35 residues pruned to eliminate duplicates Z: 28 25.800 2.306 0.778 0.432 0.778 0.556 CA 1.670 28 residues pruned to eliminate duplicates Z: 39 28.552 2.224 0.731 0.433 0.868 0.500 CB 1.485 39 residues pruned to eliminate duplicates Z: 15 21.232 2.373 0.607 0.400 0.929 0.571 CB 1.779 15 residues pruned to eliminate duplicates Z: 31 25.595 2.332 0.783 0.401 0.767 0.533 CB 1.627 31 residues pruned to eliminate duplicates Z: 15 18.342 2.353 0.676 0.449 0.857 0.500 CB 1.528 15 residues pruned to eliminate duplicates Z: 28 19.337 2.243 0.584 0.361 0.852 0.407 CB 1.429 28 residues pruned to eliminate duplicates Z: 15 23.599 2.364 0.931 0.564 0.857 0.643 CA 1.514 15 residues pruned to eliminate duplicates Z: 29 44.365 2.419 0.891 0.621 0.964 0.679 CA 1.695 29 residues pruned to eliminate duplicates Z: 32 29.988 2.330 0.738 0.510 0.839 0.452 CB 1.571 32 residues pruned to eliminate duplicates Z: 32 38.579 2.385 0.955 0.586 0.935 0.645 CB 1.463 32 residues pruned to eliminate duplicates Z: 27 46.709 2.420 1.020 0.665 0.962 0.654 CB 1.673 27 residues pruned to eliminate duplicates Z: 11 28.154 2.465 0.880 0.625 1.000 0.600 CA 1.708 11 residues pruned to eliminate duplicates Z: 15 24.137 2.316 0.987 0.515 0.857 0.571 CA 1.611 15 residues pruned to eliminate duplicates Z: 36 36.823 2.334 1.014 0.524 0.886 0.714 CB 1.460 36 residues pruned to eliminate duplicates Z: 43 53.413 2.436 1.127 0.528 0.929 0.667 CB 1.666 43 residues pruned to eliminate duplicates Z: 44 45.686 2.365 0.988 0.519 0.907 0.581 CB 1.603 44 residues pruned to eliminate duplicates Z: 29 38.097 2.349 1.202 0.617 0.786 0.607 CB 1.587 29 residues pruned to eliminate duplicates Z: 53 44.538 2.357 0.899 0.506 0.846 0.519 CB 1.621 52 residues pruned to eliminate duplicates Z: 12 26.978 2.210 1.498 0.815 0.909 0.455 CB 1.233 12 residues pruned to eliminate duplicates Z: 28 39.135 2.380 1.254 0.644 0.815 0.556 CB 1.507 28 residues pruned to eliminate duplicates Z: 43 43.455 2.378 0.980 0.515 0.857 0.714 CB 1.637 43 residues pruned to eliminate duplicates Z: 30 32.103 2.395 0.807 0.496 0.897 0.690 CB 1.541 32 residues pruned to eliminate duplicates Z: 16 30.144 2.010 1.293 0.764 1.000 0.667 CA 1.335 16 residues pruned to eliminate duplicates Z: 42 47.788 2.405 1.057 0.537 0.902 0.537 CB 1.613 42 residues pruned to eliminate duplicates Z: 12 36.537 2.273 1.434 0.894 0.909 0.545 CB 1.571 12 residues pruned to eliminate duplicates Z: 27 43.804 2.371 1.292 0.632 0.885 0.538 CB 1.579 27 residues pruned to eliminate duplicates Z: 30 31.741 2.358 0.910 0.505 0.828 0.414 CB 1.573 30 residues pruned to eliminate duplicates Z: 30 33.465 2.328 0.965 0.490 0.897 0.448 CB 1.531 30 residues pruned to eliminate duplicates Z: 28 31.073 2.400 0.842 0.506 0.815 0.370 CB 1.650 28 residues pruned to eliminate duplicates Z: 30 34.934 2.411 1.088 0.457 0.862 0.552 CB 1.562 30 residues pruned to eliminate duplicates Z: 30 21.924 2.262 0.759 0.381 0.759 0.379 CB 1.530 29 residues pruned to eliminate duplicates Z: 12 36.269 2.323 1.272 0.892 0.909 0.273 CB 1.638 12 residues pruned to eliminate duplicates Z: 43 36.690 2.395 0.772 0.476 0.857 0.524 CB 1.595 43 residues pruned to eliminate duplicates Z: 28 35.792 2.420 0.978 0.546 0.852 0.444 CB 1.616 29 residues pruned to eliminate duplicates Z: 6 9.402 1.738 1.067 0.502 0.800 0.400 CB 1.459 6 residues pruned to eliminate duplicates Z: 25 36.975 2.421 1.046 0.419 0.917 0.458 CB 1.809 25 residues pruned to eliminate duplicates Z: 37 31.799 2.275 0.778 0.346 0.917 0.389 CA 1.690 37 residues pruned to eliminate duplicates Z: 20 22.281 2.339 0.802 0.321 0.842 0.474 CB 1.754 20 residues pruned to eliminate duplicates Z: 19 22.089 2.289 0.792 0.334 0.889 0.389 CB 1.713 19 residues pruned to eliminate duplicates Z: 27 29.532 2.345 0.863 0.431 0.808 0.615 CB 1.762 27 residues pruned to eliminate duplicates Z: 26 31.342 2.308 0.873 0.402 0.920 0.520 CB 1.747 26 residues pruned to eliminate duplicates Z: 25 28.009 2.337 0.907 0.392 0.833 0.458 CB 1.726 25 residues pruned to eliminate duplicates Z: 9 8.581 1.735 0.727 0.314 0.875 0.500 N 1.422 9 residues pruned to eliminate duplicates Z: 43 31.572 2.239 0.891 0.397 0.833 0.476 CB 1.539 43 residues pruned to eliminate duplicates Z: 8 8.522 1.526 1.371 0.262 0.857 0.429 N 1.364 8 residues pruned to eliminate duplicates Z: 29 37.533 2.322 0.911 0.406 1.000 0.500 CA 1.763 29 residues pruned to eliminate duplicates Z: 26 33.211 2.342 0.880 0.488 0.880 0.520 CB 1.734 26 residues pruned to eliminate duplicates Z: 38 28.647 2.224 0.903 0.353 0.811 0.378 CB 1.610 38 residues pruned to eliminate duplicates Z: 68 42.645 2.299 0.869 0.385 0.821 0.418 CB 1.669 68 residues pruned to eliminate duplicates Z: 67 47.469 2.263 0.939 0.474 0.879 0.455 CB 1.556 67 residues pruned to eliminate duplicates Z: 64 55.903 2.307 0.924 0.501 0.937 0.540 CB 1.693 64 residues pruned to eliminate duplicates Z: 72 55.108 2.212 0.986 0.521 0.901 0.493 CB 1.617 72 residues pruned to eliminate duplicates Z: 40 34.857 2.278 0.762 0.399 0.949 0.410 CB 1.630 40 residues pruned to eliminate duplicates Z: 60 48.742 2.271 0.945 0.521 0.864 0.441 CB 1.627 60 residues pruned to eliminate duplicates Z: 46 44.385 2.272 1.051 0.528 0.844 0.511 CB 1.635 46 residues pruned to eliminate duplicates Z: 39 48.161 2.324 1.096 0.534 0.921 0.526 CB 1.685 39 residues pruned to eliminate duplicates Z: 41 45.871 2.312 1.110 0.490 0.925 0.650 CB 1.624 41 residues pruned to eliminate duplicates Z: 53 47.644 2.341 0.986 0.489 0.885 0.596 CB 1.625 53 residues pruned to eliminate duplicates Z: 111 47.534 2.177 0.808 0.408 0.836 0.455 CB 1.516 111 residues pruned to eliminate duplicates Z: 46 43.111 2.364 1.010 0.486 0.844 0.533 CB 1.625 46 residues pruned to eliminate duplicates Z: 24 20.350 2.213 0.869 0.395 0.783 0.261 CB 1.464 24 residues pruned to eliminate duplicates Z: 51 48.269 2.265 1.050 0.548 0.920 0.480 CB 1.525 51 residues pruned to eliminate duplicates Z: 51 47.418 2.307 0.998 0.538 0.900 0.540 CB 1.558 51 residues pruned to eliminate duplicates Z: 30 33.685 2.362 0.925 0.426 0.862 0.414 CB 1.723 30 residues pruned to eliminate duplicates Z: 63 54.725 2.308 1.013 0.516 0.919 0.565 CB 1.602 63 residues pruned to eliminate duplicates Z: 64 53.498 2.296 0.975 0.494 0.921 0.429 CB 1.624 64 residues pruned to eliminate duplicates Z: 91 60.141 2.218 1.046 0.499 0.911 0.422 CB 1.535 91 residues pruned to eliminate duplicates Z: 74 58.129 2.289 1.023 0.453 0.918 0.479 CB 1.679 74 residues pruned to eliminate duplicates Z: 55 46.619 2.237 1.028 0.523 0.870 0.500 CB 1.571 55 residues pruned to eliminate duplicates Z: 62 52.940 2.289 1.061 0.472 0.918 0.410 CB 1.610 62 residues pruned to eliminate duplicates Z: 87 59.919 2.274 1.047 0.483 0.884 0.512 CB 1.598 87 residues pruned to eliminate duplicates Z: 64 47.191 2.250 0.947 0.487 0.905 0.492 CB 1.519 64 residues pruned to eliminate duplicates Z: 68 52.102 2.254 1.070 0.494 0.866 0.522 CB 1.585 68 residues pruned to eliminate duplicates Z: 81 51.060 2.228 1.017 0.446 0.838 0.475 CB 1.603 81 residues pruned to eliminate duplicates Z: 60 59.308 2.277 1.101 0.526 0.949 0.508 CB 1.658 60 residues pruned to eliminate duplicates Z: 87 68.515 2.294 1.131 0.513 0.919 0.558 CB 1.624 87 residues pruned to eliminate duplicates Z: 65 55.398 2.274 1.131 0.503 0.906 0.453 CB 1.572 65 residues pruned to eliminate duplicates Z: 67 45.077 2.216 0.936 0.462 0.894 0.470 CB 1.504 67 residues pruned to eliminate duplicates Z: 63 51.466 2.321 1.038 0.521 0.855 0.484 CB 1.582 63 residues pruned to eliminate duplicates Z: 57 57.340 2.279 1.049 0.548 0.946 0.571 CB 1.654 57 residues pruned to eliminate duplicates Z: 24 32.270 2.196 1.029 0.579 0.913 0.565 CA 1.533 24 residues pruned to eliminate duplicates Z: 27 27.409 2.069 1.001 0.520 0.885 0.423 CB 1.440 27 residues pruned to eliminate duplicates Z: 68 48.862 2.220 0.993 0.491 0.881 0.493 CB 1.546 68 residues pruned to eliminate duplicates Z: 75 51.483 2.223 1.042 0.490 0.892 0.500 CB 1.494 75 residues pruned to eliminate duplicates Z: 70 55.635 2.231 1.095 0.480 0.899 0.580 CB 1.628 70 residues pruned to eliminate duplicates Z: 59 62.208 2.317 1.063 0.569 0.966 0.586 CB 1.655 59 residues pruned to eliminate duplicates Z: 24 31.005 2.193 0.925 0.574 0.957 0.609 CA 1.491 24 residues pruned to eliminate duplicates Z: 71 57.316 2.229 1.049 0.512 0.914 0.586 CB 1.621 71 residues pruned to eliminate duplicates Z: 85 52.134 2.192 0.951 0.460 0.881 0.512 CB 1.573 85 residues pruned to eliminate duplicates Z: 71 51.652 2.199 0.927 0.507 0.929 0.514 CB 1.558 71 residues pruned to eliminate duplicates Z: 83 53.433 2.174 0.936 0.490 0.866 0.512 CB 1.636 83 residues pruned to eliminate duplicates Z: 108 60.747 2.236 0.912 0.504 0.888 0.393 CB 1.541 108 residues pruned to eliminate duplicates Z: 96 62.243 2.219 1.007 0.521 0.895 0.505 CB 1.570 96 residues pruned to eliminate duplicates Z: 93 64.788 2.239 1.000 0.521 0.935 0.587 CB 1.581 93 residues pruned to eliminate duplicates Z: 69 49.577 2.234 0.936 0.513 0.882 0.588 CB 1.556 69 residues pruned to eliminate duplicates Z: 28 24.724 2.168 0.716 0.536 0.852 0.519 CB 1.448 28 residues pruned to eliminate duplicates Z: 73 45.378 2.181 0.872 0.481 0.861 0.556 CB 1.551 73 residues pruned to eliminate duplicates Z: 89 66.720 2.221 1.090 0.549 0.943 0.511 CB 1.548 89 residues pruned to eliminate duplicates Z: 103 63.212 2.219 0.943 0.567 0.902 0.569 CB 1.510 103 residues pruned to eliminate duplicates Z: 82 60.627 2.231 0.985 0.558 0.889 0.593 CB 1.618 82 residues pruned to eliminate duplicates Z: 25 32.424 2.202 0.845 0.617 0.917 0.583 CB 1.592 25 residues pruned to eliminate duplicates Z: 86 67.369 2.244 1.081 0.564 0.929 0.600 CB 1.582 86 residues pruned to eliminate duplicates Z: 25 28.213 2.198 0.712 0.615 0.833 0.458 CB 1.648 25 residues pruned to eliminate duplicates Z: 94 57.013 2.219 0.842 0.529 0.903 0.570 CB 1.556 94 residues pruned to eliminate duplicates Z: 25 31.630 2.139 0.706 0.627 0.958 0.583 CA 1.638 25 residues pruned to eliminate duplicates Z: 24 26.028 2.190 0.644 0.644 0.870 0.783 CB 1.516 24 residues pruned to eliminate duplicates Z: 138 70.352 2.223 0.992 0.493 0.854 0.511 CB 1.601 138 residues pruned to eliminate duplicates Z: 26 30.016 2.163 0.707 0.591 0.960 0.680 CB 1.551 26 residues pruned to eliminate duplicates Z: 28 27.451 2.201 0.691 0.589 0.889 0.630 CB 1.467 28 residues pruned to eliminate duplicates Z: 28 32.011 2.103 0.856 0.584 0.852 0.630 CB 1.709 28 residues pruned to eliminate duplicates Z: 26 33.527 2.138 0.774 0.586 0.960 0.720 CA 1.696 26 residues pruned to eliminate duplicates Z: 26 27.416 2.156 0.605 0.590 0.920 0.640 CB 1.580 26 residues pruned to eliminate duplicates Z: 70 54.135 2.200 1.031 0.521 0.913 0.522 CB 1.566 70 residues pruned to eliminate duplicates Z: 23 34.770 2.250 0.920 0.687 0.864 0.636 CB 1.674 23 residues pruned to eliminate duplicates Z: 24 31.893 2.203 0.721 0.669 0.957 0.739 CB 1.569 24 residues pruned to eliminate duplicates Z: 19 18.508 2.163 0.624 0.423 0.889 0.389 CB 1.513 19 residues pruned to eliminate duplicates Z: 11 5.357 1.651 0.567 0.200 0.700 0.100 N 1.336 4 residues pruned to eliminate duplicates Z: 6 9.331 2.017 0.790 0.267 1.000 0.400 CA 1.507 6 residues pruned to eliminate duplicates Z: 14 17.241 2.150 0.666 0.522 0.923 0.692 CB 1.415 14 residues pruned to eliminate duplicates Z: 8 6.952 1.975 0.489 0.476 0.714 0.571 CA 1.281 8 residues pruned to eliminate duplicates Z: 26 27.993 2.224 0.938 0.439 0.880 0.520 CB 1.572 26 residues pruned to eliminate duplicates Z: 29 28.032 2.180 0.908 0.485 0.786 0.536 CB 1.645 29 residues pruned to eliminate duplicates Z: 22 28.538 2.261 0.865 0.469 0.952 0.524 CB 1.601 22 residues pruned to eliminate duplicates Z: 38 38.429 2.239 0.973 0.493 0.946 0.595 CB 1.523 38 residues pruned to eliminate duplicates Z: 26 31.505 2.262 0.836 0.505 0.920 0.560 CB 1.642 26 residues pruned to eliminate duplicates Z: 33 38.921 2.255 1.009 0.526 0.938 0.562 CB 1.579 33 residues pruned to eliminate duplicates Z: 23 29.501 2.317 0.951 0.435 0.909 0.545 CB 1.637 23 residues pruned to eliminate duplicates Z: 23 22.967 2.079 0.936 0.432 0.818 0.545 CA 1.595 23 residues pruned to eliminate duplicates Z: 25 29.440 2.234 0.871 0.445 0.958 0.542 CB 1.588 25 residues pruned to eliminate duplicates Z: 25 30.602 2.272 1.076 0.464 0.917 0.500 CB 1.499 25 residues pruned to eliminate duplicates Z: 26 24.784 2.214 0.859 0.395 0.880 0.480 CB 1.529 26 residues pruned to eliminate duplicates Z: 17 21.542 2.225 0.773 0.422 0.938 0.438 CB 1.580 17 residues pruned to eliminate duplicates Z: 30 19.481 2.188 0.680 0.390 0.828 0.414 CB 1.336 30 residues pruned to eliminate duplicates Z: 24 22.324 2.203 0.684 0.396 0.913 0.565 CB 1.534 24 residues pruned to eliminate duplicates Z: 39 32.581 2.163 0.893 0.397 0.842 0.421 CB 1.710 39 residues pruned to eliminate duplicates Z: 50 43.604 2.384 0.940 0.484 0.837 0.531 CB 1.636 50 residues pruned to eliminate duplicates Z: 39 44.149 2.232 0.978 0.514 0.974 0.605 CB 1.644 39 residues pruned to eliminate duplicates Z: 6 3.098 1.559 0.864 0.335 0.800 0.200 CB 0.713 6 residues pruned to eliminate duplicates Z: 33 28.374 2.266 0.927 0.332 0.781 0.344 CB 1.768 33 residues pruned to eliminate duplicates Z: 117 72.649 2.301 0.908 0.501 0.897 0.543 CB 1.712 117 residues pruned to eliminate duplicates Z: 83 61.789 2.396 0.806 0.499 0.915 0.573 CB 1.726 83 residues pruned to eliminate duplicates Z: 9 11.245 2.099 0.753 0.377 0.750 0.625 CB 1.643 9 residues pruned to eliminate duplicates Z: 86 57.042 2.346 0.932 0.507 0.847 0.612 CB 1.600 86 residues pruned to eliminate duplicates Z: 91 57.347 2.298 0.888 0.492 0.867 0.544 CB 1.621 91 residues pruned to eliminate duplicates Z: 41 57.360 2.548 1.054 0.572 0.900 0.525 CB 1.797 41 residues pruned to eliminate duplicates Z: 37 57.092 2.535 0.982 0.551 0.972 0.667 CB 1.854 37 residues pruned to eliminate duplicates Z: 62 58.445 2.471 1.032 0.478 0.869 0.574 CB 1.755 62 residues pruned to eliminate duplicates Z: 39 46.852 2.492 0.931 0.517 0.895 0.474 CB 1.735 39 residues pruned to eliminate duplicates Z: 64 57.322 2.397 0.980 0.518 0.889 0.619 CB 1.681 64 residues pruned to eliminate duplicates Z: 44 44.502 2.417 0.976 0.499 0.860 0.488 CB 1.653 44 residues pruned to eliminate duplicates Z: 119 75.860 2.330 0.922 0.531 0.924 0.627 CB 1.637 118 residues pruned to eliminate duplicates Z: 17 54.935 2.512 1.049 0.880 1.000 0.688 CA 1.934 17 residues pruned to eliminate duplicates Z: 64 60.675 2.429 1.065 0.512 0.889 0.571 CB 1.694 64 residues pruned to eliminate duplicates Z: 37 53.205 2.502 0.978 0.548 0.944 0.667 CB 1.809 37 residues pruned to eliminate duplicates Z: 69 53.636 2.340 0.886 0.545 0.838 0.544 CB 1.683 69 residues pruned to eliminate duplicates Z: 73 57.154 2.420 0.972 0.482 0.833 0.528 CB 1.724 73 residues pruned to eliminate duplicates Z: 39 53.903 2.536 1.098 0.502 0.895 0.526 CB 1.832 39 residues pruned to eliminate duplicates Z: 85 66.780 2.413 0.915 0.504 0.917 0.583 CB 1.714 85 residues pruned to eliminate duplicates Z: 101 66.253 2.329 0.905 0.527 0.870 0.570 CB 1.672 101 residues pruned to eliminate duplicates Z: 58 55.059 2.434 0.885 0.481 0.912 0.561 CB 1.776 58 residues pruned to eliminate duplicates Z: 37 53.403 2.443 0.967 0.532 0.972 0.556 CB 1.847 37 residues pruned to eliminate duplicates Z: 56 43.140 2.369 0.914 0.427 0.818 0.436 CB 1.692 56 residues pruned to eliminate duplicates Z: 68 58.200 2.359 0.895 0.516 0.896 0.567 CB 1.748 68 residues pruned to eliminate duplicates Z: 43 45.449 2.436 1.102 0.422 0.833 0.405 CB 1.782 43 residues pruned to eliminate duplicates Z: 105 60.557 2.259 0.875 0.481 0.865 0.510 CB 1.651 105 residues pruned to eliminate duplicates Z: 97 67.776 2.355 0.945 0.503 0.896 0.562 CB 1.682 97 residues pruned to eliminate duplicates Z: 57 43.452 2.355 0.950 0.403 0.893 0.446 CB 1.569 57 residues pruned to eliminate duplicates Z: 46 59.949 2.405 1.083 0.532 0.956 0.578 CB 1.809 46 residues pruned to eliminate duplicates Z: 66 67.679 2.389 1.058 0.568 0.923 0.662 CB 1.732 66 residues pruned to eliminate duplicates Z: 43 50.172 2.491 0.828 0.485 0.976 0.524 CB 1.768 43 residues pruned to eliminate duplicates Z: 88 59.737 2.290 0.916 0.514 0.862 0.552 CB 1.670 88 residues pruned to eliminate duplicates Z: 47 57.446 2.410 1.126 0.535 0.935 0.500 CB 1.709 47 residues pruned to eliminate duplicates Z: 95 58.794 2.330 0.925 0.448 0.883 0.479 CB 1.616 95 residues pruned to eliminate duplicates Z: 58 47.021 2.342 0.874 0.484 0.842 0.509 CB 1.714 58 residues pruned to eliminate duplicates Z: 43 41.988 2.311 0.839 0.497 0.905 0.476 CB 1.690 43 residues pruned to eliminate duplicates Z: 89 64.898 2.368 0.965 0.481 0.909 0.591 CB 1.667 89 residues pruned to eliminate duplicates Z: 95 62.784 2.345 1.022 0.478 0.862 0.479 CB 1.621 95 residues pruned to eliminate duplicates Z: 65 59.800 2.416 0.973 0.511 0.906 0.578 CB 1.711 65 residues pruned to eliminate duplicates Z: 60 58.274 2.378 0.990 0.544 0.898 0.542 CB 1.710 60 residues pruned to eliminate duplicates Z: 58 58.576 2.415 0.914 0.521 0.912 0.474 CB 1.802 58 residues pruned to eliminate duplicates Z: 84 72.624 2.340 1.004 0.541 0.940 0.639 CB 1.737 84 residues pruned to eliminate duplicates Z: 112 68.601 2.309 0.921 0.487 0.892 0.550 CB 1.668 112 residues pruned to eliminate duplicates Z: 65 57.855 2.380 0.996 0.537 0.891 0.516 CB 1.649 65 residues pruned to eliminate duplicates Z: 59 65.704 2.455 1.001 0.554 0.966 0.552 CB 1.725 59 residues pruned to eliminate duplicates Z: 36 45.435 2.418 1.053 0.492 0.943 0.657 CB 1.655 36 residues pruned to eliminate duplicates Z: 66 59.081 2.381 0.996 0.504 0.908 0.462 CB 1.693 66 residues pruned to eliminate duplicates Z: 43 49.576 2.317 1.039 0.507 0.952 0.548 CB 1.688 43 residues pruned to eliminate duplicates Z: 45 40.446 2.271 0.977 0.450 0.886 0.455 CB 1.612 45 residues pruned to eliminate duplicates Z: 79 73.695 2.342 1.125 0.537 0.910 0.564 CB 1.776 79 residues pruned to eliminate duplicates Z: 68 61.093 2.346 1.011 0.523 0.896 0.552 CB 1.727 68 residues pruned to eliminate duplicates Z: 66 68.498 2.363 1.052 0.551 0.938 0.538 CB 1.776 66 residues pruned to eliminate duplicates Z: 63 63.295 2.417 1.067 0.524 0.919 0.532 CB 1.709 63 residues pruned to eliminate duplicates Z: 64 53.837 2.372 1.008 0.478 0.857 0.476 CB 1.700 64 residues pruned to eliminate duplicates Z: 59 69.733 2.409 1.075 0.585 0.966 0.517 CB 1.749 59 residues pruned to eliminate duplicates Z: 86 73.497 2.336 0.978 0.531 0.953 0.588 CB 1.755 86 residues pruned to eliminate duplicates Z: 94 71.716 2.269 0.987 0.547 0.925 0.538 CB 1.704 94 residues pruned to eliminate duplicates Z: 103 72.048 2.323 0.962 0.525 0.892 0.569 CB 1.712 103 residues pruned to eliminate duplicates Z: 93 61.555 2.264 0.873 0.503 0.880 0.576 CB 1.714 93 residues pruned to eliminate duplicates Z: 35 31.633 2.235 0.710 0.466 0.882 0.471 CB 1.665 35 residues pruned to eliminate duplicates Z: 94 74.445 2.324 1.057 0.559 0.903 0.581 CB 1.689 94 residues pruned to eliminate duplicates Z: 93 71.410 2.304 0.977 0.519 0.935 0.620 CB 1.716 93 residues pruned to eliminate duplicates Z: 87 75.514 2.319 1.026 0.531 0.942 0.558 CB 1.783 87 residues pruned to eliminate duplicates Z: 106 68.650 2.289 0.974 0.497 0.895 0.543 CB 1.660 106 residues pruned to eliminate duplicates Z: 21 43.129 2.269 1.067 0.673 1.000 0.750 CA 1.753 21 residues pruned to eliminate duplicates Z: 23 39.929 2.218 1.105 0.668 0.955 0.591 CB 1.635 23 residues pruned to eliminate duplicates Z: 21 32.552 2.225 0.862 0.650 0.900 0.650 CB 1.697 21 residues pruned to eliminate duplicates Z: 48 40.308 2.209 0.821 0.540 0.894 0.617 CB 1.573 48 residues pruned to eliminate duplicates Z: 51 34.070 2.086 0.855 0.502 0.880 0.540 CB 1.412 51 residues pruned to eliminate duplicates Z: 47 39.338 2.218 0.834 0.523 0.870 0.522 CB 1.603 47 residues pruned to eliminate duplicates Z: 29 32.001 2.172 0.806 0.571 0.893 0.571 CB 1.612 29 residues pruned to eliminate duplicates Z: 24 39.525 2.182 1.073 0.649 0.957 0.652 CA 1.659 24 residues pruned to eliminate duplicates Z: 22 37.249 2.228 0.972 0.664 0.952 0.714 CA 1.668 22 residues pruned to eliminate duplicates Z: 27 32.311 2.134 0.934 0.579 0.885 0.538 CB 1.609 27 residues pruned to eliminate duplicates Z: 22 36.212 2.169 0.888 0.699 1.000 0.762 CA 1.610 22 residues pruned to eliminate duplicates Z: 38 44.695 2.207 1.044 0.586 0.919 0.568 CB 1.631 38 residues pruned to eliminate duplicates Z: 48 35.409 2.073 0.891 0.486 0.894 0.553 CB 1.495 48 residues pruned to eliminate duplicates Z: 23 27.742 2.120 0.791 0.609 0.909 0.636 CA 1.546 23 residues pruned to eliminate duplicates Z: 41 38.456 2.153 0.813 0.583 0.925 0.575 CB 1.554 41 residues pruned to eliminate duplicates Z: 24 29.131 2.112 0.909 0.623 0.870 0.696 CA 1.543 24 residues pruned to eliminate duplicates Z: 29 27.707 2.120 0.763 0.580 0.857 0.643 CB 1.513 29 residues pruned to eliminate duplicates Z: 44 35.984 2.080 0.800 0.556 0.907 0.535 CA 1.530 44 residues pruned to eliminate duplicates Z: 25 20.104 2.210 0.737 0.428 0.708 0.458 CB 1.625 25 residues pruned to eliminate duplicates Z: 18 20.421 2.110 0.704 0.483 0.882 0.471 CB 1.588 18 residues pruned to eliminate duplicates Z: 19 13.230 2.111 0.580 0.395 0.722 0.500 CB 1.446 19 residues pruned to eliminate duplicates Z: 53 45.500 2.167 0.859 0.537 0.942 0.596 CB 1.603 53 residues pruned to eliminate duplicates Z: 48 40.853 2.211 0.718 0.554 0.915 0.617 CB 1.626 48 residues pruned to eliminate duplicates Z: 44 38.911 2.200 0.795 0.565 0.884 0.581 CB 1.596 44 residues pruned to eliminate duplicates Z: 40 39.668 2.183 0.767 0.584 0.949 0.590 CB 1.602 40 residues pruned to eliminate duplicates Z: 25 22.970 2.179 0.607 0.479 0.875 0.500 CB 1.562 25 residues pruned to eliminate duplicates Z: 26 20.247 2.096 0.707 0.398 0.800 0.480 CB 1.575 26 residues pruned to eliminate duplicates Z: 50 40.463 2.163 0.788 0.546 0.918 0.673 CB 1.556 50 residues pruned to eliminate duplicates Z: 29 21.021 2.120 0.583 0.420 0.821 0.536 CB 1.567 29 residues pruned to eliminate duplicates Z: 47 41.102 2.203 0.751 0.556 0.891 0.587 CB 1.669 47 residues pruned to eliminate duplicates Z: 48 40.502 2.222 0.745 0.554 0.872 0.532 CB 1.658 48 residues pruned to eliminate duplicates Z: 94 62.022 2.310 0.916 0.476 0.892 0.495 CB 1.668 94 residues pruned to eliminate duplicates Z: 48 42.155 2.215 0.752 0.554 0.915 0.638 CB 1.642 48 residues pruned to eliminate duplicates Z: 43 37.253 2.194 0.762 0.536 0.881 0.571 CB 1.629 43 residues pruned to eliminate duplicates Z: 26 24.608 2.103 0.592 0.495 0.920 0.560 CB 1.606 26 residues pruned to eliminate duplicates Z: 48 36.622 2.162 0.675 0.554 0.894 0.553 CB 1.566 48 residues pruned to eliminate duplicates Z: 19 17.508 2.089 0.703 0.382 0.833 0.611 CB 1.578 19 residues pruned to eliminate duplicates Z: 18 18.562 2.045 0.823 0.338 0.941 0.529 CB 1.532 18 residues pruned to eliminate duplicates Z: 18 12.629 2.013 0.721 0.355 0.765 0.471 CB 1.353 18 residues pruned to eliminate duplicates Z: 11 12.059 2.255 0.409 0.351 0.900 0.500 CB 1.568 11 residues pruned to eliminate duplicates Z: 9 17.984 2.313 0.757 0.367 1.000 0.625 CB 1.806 9 residues pruned to eliminate duplicates Z: 18 23.318 2.270 0.905 0.481 0.941 0.529 CB 1.417 18 residues pruned to eliminate duplicates Z: 6 2.196 1.450 0.604 0.377 0.400 0.400 O 1.203 6 residues pruned to eliminate duplicates Z: 17 22.494 2.319 0.847 0.483 0.938 0.562 CB 1.425 17 residues pruned to eliminate duplicates Z: 17 22.866 2.283 1.087 0.472 0.938 0.500 CB 1.317 17 residues pruned to eliminate duplicates Z: 18 17.729 2.152 0.839 0.462 0.824 0.588 CB 1.371 18 residues pruned to eliminate duplicates Z: 17 25.122 2.299 0.987 0.478 0.938 0.625 CB 1.500 17 residues pruned to eliminate duplicates Z: 100 60.805 2.297 0.972 0.479 0.869 0.545 CB 1.586 100 residues pruned to eliminate duplicates Z: 38 31.037 2.211 0.998 0.475 0.865 0.622 CB 1.369 38 residues pruned to eliminate duplicates Z: 17 19.731 2.322 0.691 0.464 0.938 0.500 CB 1.389 17 residues pruned to eliminate duplicates Z: 20 15.388 2.088 0.839 0.442 0.842 0.474 CB 1.159 20 residues pruned to eliminate duplicates Z: 16 22.364 2.324 0.811 0.514 1.000 0.667 CB 1.353 16 residues pruned to eliminate duplicates Z: 21 19.563 2.226 0.908 0.414 0.850 0.550 CB 1.326 21 residues pruned to eliminate duplicates Z: 57 44.094 2.288 0.898 0.488 0.857 0.446 CB 1.603 57 residues pruned to eliminate duplicates Z: 23 19.499 2.059 0.802 0.482 0.864 0.500 CB 1.322 23 residues pruned to eliminate duplicates Z: 26 30.376 2.253 1.120 0.434 0.880 0.600 CB 1.547 26 residues pruned to eliminate duplicates Z: 22 31.112 2.282 0.907 0.544 0.905 0.667 CB 1.652 22 residues pruned to eliminate duplicates Z: 69 53.892 2.344 0.986 0.474 0.882 0.588 CB 1.634 69 residues pruned to eliminate duplicates Z: 36 28.061 2.126 1.028 0.435 0.829 0.457 CB 1.420 36 residues pruned to eliminate duplicates Z: 22 34.571 2.269 1.101 0.562 0.952 0.619 CB 1.565 22 residues pruned to eliminate duplicates Z: 40 31.863 2.197 0.944 0.402 0.872 0.513 CB 1.519 40 residues pruned to eliminate duplicates Z: 6 6.293 2.214 0.856 0.129 0.800 0.400 CA 1.362 6 residues pruned to eliminate duplicates Z: 23 29.216 2.234 1.135 0.439 0.864 0.409 CB 1.610 23 residues pruned to eliminate duplicates Z: 33 28.192 2.251 1.014 0.396 0.812 0.531 CB 1.511 33 residues pruned to eliminate duplicates Z: 33 35.857 2.216 1.177 0.413 0.906 0.625 CB 1.588 33 residues pruned to eliminate duplicates Z: 23 27.862 2.119 1.177 0.442 0.864 0.545 CB 1.582 23 residues pruned to eliminate duplicates Z: 22 26.608 2.260 1.042 0.460 0.762 0.476 CB 1.720 22 residues pruned to eliminate duplicates Z: 88 50.386 2.267 0.828 0.460 0.862 0.460 CB 1.575 88 residues pruned to eliminate duplicates Z: 25 32.547 2.269 1.118 0.441 0.875 0.583 CB 1.679 25 residues pruned to eliminate duplicates Z: 62 41.771 2.208 0.923 0.472 0.803 0.557 CB 1.614 62 residues pruned to eliminate duplicates Z: 27 27.573 2.262 0.972 0.477 0.769 0.385 CB 1.613 27 residues pruned to eliminate duplicates Z: 25 33.815 2.329 1.014 0.464 0.875 0.542 CA 1.745 25 residues pruned to eliminate duplicates Z: 26 25.392 2.221 0.985 0.476 0.760 0.600 CB 1.553 26 residues pruned to eliminate duplicates Z: 30 27.911 2.183 1.021 0.452 0.793 0.552 CB 1.556 30 residues pruned to eliminate duplicates Z: 67 50.539 2.263 0.910 0.488 0.864 0.545 CB 1.686 67 residues pruned to eliminate duplicates Z: 7 6.661 2.200 0.487 0.348 0.667 0.333 CB 1.470 7 residues pruned to eliminate duplicates Z: 7 11.938 2.214 0.702 0.606 0.833 0.667 CB 1.404 7 residues pruned to eliminate duplicates Z: 24 28.532 2.258 0.990 0.597 0.739 0.609 CB 1.633 24 residues pruned to eliminate duplicates Z: 63 41.465 2.282 0.775 0.479 0.790 0.468 CB 1.681 63 residues pruned to eliminate duplicates Z: 44 30.943 2.267 0.610 0.466 0.860 0.535 CB 1.556 44 residues pruned to eliminate duplicates Z: 27 27.420 2.185 0.900 0.525 0.808 0.654 CB 1.564 27 residues pruned to eliminate duplicates Z: 26 25.985 2.204 0.821 0.556 0.760 0.560 CB 1.614 26 residues pruned to eliminate duplicates Z: 65 55.591 2.348 0.997 0.494 0.891 0.594 CB 1.674 65 residues pruned to eliminate duplicates Z: 44 42.871 2.369 0.835 0.483 0.930 0.581 CB 1.645 44 residues pruned to eliminate duplicates Z: 53 39.551 2.288 0.887 0.482 0.827 0.462 CB 1.564 53 residues pruned to eliminate duplicates Z: 19 14.564 2.260 0.723 0.275 0.722 0.333 CB 1.576 19 residues pruned to eliminate duplicates Z: 24 17.152 2.185 0.922 0.299 0.696 0.348 CB 1.532 24 residues pruned to eliminate duplicates Z: 6 2.579 2.017 0.383 0.216 0.400 0.400 N 1.443 Z: 6 3.374 2.049 0.519 0.100 0.800 0.000 CB 1.010 6 residues pruned to eliminate duplicates Z: 27 26.803 2.204 0.820 0.440 0.846 0.538 CB 1.648 27 residues pruned to eliminate duplicates Z: 10 5.615 2.142 0.332 0.230 0.667 0.333 CB 1.347 10 residues pruned to eliminate duplicates Z: 26 25.353 2.255 0.670 0.418 0.880 0.480 CB 1.667 26 residues pruned to eliminate duplicates Z: 26 28.333 2.232 0.760 0.520 0.840 0.520 CB 1.683 26 residues pruned to eliminate duplicates Z: 28 33.755 2.243 0.855 0.487 0.926 0.556 CB 1.709 28 residues pruned to eliminate duplicates Z: 27 27.537 2.216 0.785 0.519 0.846 0.538 CB 1.584 27 residues pruned to eliminate duplicates Z: 27 32.237 2.269 0.837 0.467 0.885 0.462 CB 1.773 27 residues pruned to eliminate duplicates Z: 24 27.319 2.111 0.858 0.489 0.913 0.565 CA 1.608 24 residues pruned to eliminate duplicates Z: 27 22.621 2.186 0.736 0.460 0.769 0.500 CA 1.583 27 residues pruned to eliminate duplicates Z: 35 29.636 2.161 0.845 0.418 0.882 0.412 CB 1.574 41 residues pruned to eliminate duplicates Z: 72 55.182 2.381 0.917 0.447 0.859 0.563 CB 1.762 72 residues pruned to eliminate duplicates Z: 33 22.646 2.124 0.735 0.425 0.812 0.406 CB 1.446 33 residues pruned to eliminate duplicates Z: 35 19.920 2.023 0.873 0.397 0.794 0.529 CB 1.265 42 residues pruned to eliminate duplicates Z: 29 24.087 2.158 0.602 0.478 0.893 0.536 CB 1.509 29 residues pruned to eliminate duplicates Z: 47 33.984 2.302 0.841 0.442 0.783 0.543 CB 1.604 47 residues pruned to eliminate duplicates Z: 27 28.928 2.226 0.887 0.458 0.885 0.462 CB 1.593 27 residues pruned to eliminate duplicates Z: 33 24.732 2.139 0.800 0.348 0.875 0.375 CB 1.531 33 residues pruned to eliminate duplicates Z: 31 25.616 2.117 0.852 0.450 0.867 0.533 CB 1.449 31 residues pruned to eliminate duplicates Z: 36 23.556 2.163 0.691 0.358 0.800 0.400 CB 1.586 36 residues pruned to eliminate duplicates Z: 26 32.173 2.300 0.869 0.520 0.880 0.720 CB 1.667 26 residues pruned to eliminate duplicates Z: 30 29.624 2.185 0.948 0.475 0.862 0.552 CB 1.537 30 residues pruned to eliminate duplicates Z: 76 46.462 2.312 0.820 0.431 0.813 0.520 CB 1.684 76 residues pruned to eliminate duplicates Z: 39 32.468 2.250 0.709 0.494 0.895 0.553 CB 1.540 39 residues pruned to eliminate duplicates Z: 6 2.193 1.628 0.582 0.187 0.600 0.400 N 0.924 6 residues pruned to eliminate duplicates Z: 58 46.468 2.354 0.940 0.469 0.825 0.579 CB 1.687 58 residues pruned to eliminate duplicates Z: 61 43.242 2.300 0.955 0.420 0.783 0.517 CB 1.723 61 residues pruned to eliminate duplicates Z: 64 48.314 2.356 0.839 0.464 0.873 0.508 CB 1.670 64 residues pruned to eliminate duplicates Z: 37 67.908 2.495 1.173 0.587 1.000 0.667 CA 1.921 37 residues pruned to eliminate duplicates Z: 48 49.733 2.399 0.986 0.476 0.872 0.553 CB 1.789 48 residues pruned to eliminate duplicates Z: 49 59.924 2.417 1.206 0.496 0.917 0.583 CB 1.778 49 residues pruned to eliminate duplicates Z: 79 64.198 2.356 1.056 0.518 0.872 0.538 CB 1.691 79 residues pruned to eliminate duplicates Z: 104 55.697 2.334 0.811 0.432 0.845 0.495 CB 1.649 104 residues pruned to eliminate duplicates Z: 68 55.585 2.372 0.921 0.482 0.851 0.507 CB 1.783 68 residues pruned to eliminate duplicates Z: 89 59.310 2.324 0.906 0.483 0.852 0.557 CB 1.705 89 residues pruned to eliminate duplicates Z: 104 57.212 2.335 0.943 0.432 0.816 0.485 CB 1.635 104 residues pruned to eliminate duplicates Z: 43 47.213 2.406 0.961 0.463 0.905 0.548 CB 1.771 43 residues pruned to eliminate duplicates Z: 53 50.744 2.383 0.996 0.488 0.865 0.385 CB 1.731 53 residues pruned to eliminate duplicates Z: 104 62.769 2.333 0.947 0.489 0.835 0.515 CB 1.650 104 residues pruned to eliminate duplicates Z: 87 62.939 2.346 1.029 0.490 0.849 0.477 CB 1.696 87 residues pruned to eliminate duplicates Z: 38 60.873 2.468 1.101 0.573 0.946 0.676 CA 1.902 38 residues pruned to eliminate duplicates Z: 61 61.840 2.426 1.080 0.507 0.900 0.533 CB 1.747 61 residues pruned to eliminate duplicates Z: 45 59.565 2.392 1.123 0.554 0.955 0.409 CB 1.757 73 residues pruned to eliminate duplicates Z: 84 62.885 2.325 1.084 0.463 0.831 0.458 CB 1.778 84 residues pruned to eliminate duplicates Z: 42 57.564 2.368 1.200 0.529 0.902 0.610 CB 1.858 42 residues pruned to eliminate duplicates Z: 50 64.466 2.484 1.193 0.531 0.898 0.592 CB 1.827 50 residues pruned to eliminate duplicates Z: 60 50.714 2.354 0.969 0.479 0.847 0.475 CB 1.716 60 residues pruned to eliminate duplicates Z: 75 53.333 2.322 0.910 0.468 0.851 0.500 CB 1.696 75 residues pruned to eliminate duplicates Z: 71 67.895 2.386 1.069 0.543 0.871 0.486 CB 1.809 71 residues pruned to eliminate duplicates Z: 79 59.905 2.353 1.125 0.471 0.846 0.462 CB 1.651 79 residues pruned to eliminate duplicates Z: 47 38.485 2.310 0.918 0.405 0.826 0.478 CB 1.712 47 residues pruned to eliminate duplicates Z: 24 37.447 2.396 0.993 0.406 0.957 0.652 CB 1.887 24 residues pruned to eliminate duplicates Z: 22 33.542 2.408 0.950 0.429 0.952 0.619 CA 1.761 22 residues pruned to eliminate duplicates Z: 80 57.372 2.316 0.890 0.465 0.924 0.519 CB 1.653 80 residues pruned to eliminate duplicates Z: 113 81.912 2.372 1.005 0.534 0.920 0.554 CB 1.711 113 residues pruned to eliminate duplicates Z: 47 58.128 2.446 1.126 0.560 0.913 0.565 CB 1.703 47 residues pruned to eliminate duplicates Z: 53 53.722 2.433 1.084 0.503 0.865 0.615 CB 1.692 53 residues pruned to eliminate duplicates Z: 37 68.086 2.508 1.160 0.577 1.000 0.556 CB 1.946 37 residues pruned to eliminate duplicates Z: 22 30.728 2.395 1.045 0.417 0.857 0.524 CB 1.742 22 residues pruned to eliminate duplicates Z: 37 47.977 2.372 1.123 0.505 0.889 0.500 CB 1.777 37 residues pruned to eliminate duplicates Z: 67 58.211 2.341 0.949 0.496 0.879 0.485 CB 1.795 67 residues pruned to eliminate duplicates Z: 93 63.528 2.330 1.067 0.475 0.837 0.413 CB 1.685 93 residues pruned to eliminate duplicates Z: 73 59.394 2.388 1.144 0.454 0.847 0.542 CB 1.692 73 residues pruned to eliminate duplicates Z: 66 59.365 2.344 1.044 0.484 0.923 0.523 CB 1.692 66 residues pruned to eliminate duplicates Z: 18 25.210 2.118 1.331 0.499 0.941 0.412 CA 1.317 18 residues pruned to eliminate duplicates Z: 70 55.835 2.337 1.081 0.472 0.826 0.536 CB 1.721 70 residues pruned to eliminate duplicates Z: 71 66.246 2.365 1.086 0.538 0.886 0.600 CB 1.746 71 residues pruned to eliminate duplicates Z: 112 72.897 2.366 1.046 0.490 0.865 0.559 CB 1.669 112 residues pruned to eliminate duplicates Z: 91 72.707 2.378 1.143 0.507 0.856 0.567 CB 1.746 91 residues pruned to eliminate duplicates Z: 53 54.940 2.282 1.127 0.570 0.904 0.500 CB 1.623 53 residues pruned to eliminate duplicates Z: 98 74.267 2.372 1.077 0.516 0.897 0.505 CB 1.680 98 residues pruned to eliminate duplicates Z: 70 63.602 2.351 1.078 0.540 0.884 0.478 CB 1.706 70 residues pruned to eliminate duplicates Z: 97 61.872 2.331 1.003 0.488 0.812 0.479 CB 1.685 97 residues pruned to eliminate duplicates Z: 47 47.289 2.339 1.068 0.461 0.870 0.457 CB 1.725 47 residues pruned to eliminate duplicates Z: 29 29.917 2.188 0.937 0.539 0.786 0.464 CB 1.634 29 residues pruned to eliminate duplicates Z: 78 68.328 2.351 1.090 0.535 0.883 0.494 CB 1.733 78 residues pruned to eliminate duplicates Z: 100 67.510 2.311 0.997 0.507 0.879 0.475 CB 1.662 100 residues pruned to eliminate duplicates Z: 48 35.407 2.239 1.018 0.379 0.851 0.489 CB 1.529 48 residues pruned to eliminate duplicates Z: 90 67.491 2.327 1.093 0.513 0.876 0.517 CB 1.655 90 residues pruned to eliminate duplicates Z: 70 61.819 2.328 1.137 0.479 0.884 0.536 CB 1.728 70 residues pruned to eliminate duplicates Z: 85 68.598 2.363 1.079 0.504 0.893 0.464 CB 1.700 85 residues pruned to eliminate duplicates Z: 67 63.751 2.363 1.121 0.517 0.909 0.515 CB 1.693 67 residues pruned to eliminate duplicates Z: 92 61.503 2.272 0.972 0.491 0.868 0.538 CB 1.673 92 residues pruned to eliminate duplicates Z: 48 61.044 2.323 1.115 0.574 0.957 0.638 CB 1.762 48 residues pruned to eliminate duplicates Z: 66 69.738 2.387 1.088 0.538 0.938 0.569 CB 1.781 66 residues pruned to eliminate duplicates Z: 83 88.519 2.398 1.265 0.591 0.951 0.585 CB 1.733 83 residues pruned to eliminate duplicates Z: 42 51.850 2.356 1.075 0.572 0.927 0.585 CB 1.666 42 residues pruned to eliminate duplicates Z: 107 87.058 2.392 1.117 0.548 0.925 0.594 CB 1.723 107 residues pruned to eliminate duplicates Z: 24 47.192 2.401 1.119 0.652 0.957 0.739 CB 1.756 24 residues pruned to eliminate duplicates Z: 91 86.085 2.398 1.159 0.570 0.933 0.578 CB 1.755 91 residues pruned to eliminate duplicates Z: 24 47.678 2.337 1.160 0.725 0.957 0.826 CA 1.681 24 residues pruned to eliminate duplicates Z: 106 93.178 2.379 1.230 0.543 0.943 0.571 CB 1.742 106 residues pruned to eliminate duplicates Z: 84 81.787 2.370 1.147 0.567 0.940 0.518 CB 1.759 84 residues pruned to eliminate duplicates Z: 24 51.953 2.427 1.275 0.669 0.957 0.739 CB 1.754 24 residues pruned to eliminate duplicates Z: 30 40.938 2.343 1.128 0.549 0.862 0.552 CB 1.686 30 residues pruned to eliminate duplicates Z: 25 43.732 2.318 1.354 0.629 0.875 0.667 CB 1.655 25 residues pruned to eliminate duplicates Z: 73 72.555 2.339 1.205 0.517 0.931 0.583 CB 1.752 73 residues pruned to eliminate duplicates Z: 23 52.981 2.403 1.243 0.672 1.000 0.682 CB 1.788 23 residues pruned to eliminate duplicates Z: 74 68.560 2.320 1.255 0.527 0.904 0.589 CB 1.651 74 residues pruned to eliminate duplicates Z: 35 51.736 2.376 1.230 0.632 0.882 0.559 CB 1.678 35 residues pruned to eliminate duplicates Z: 115 85.153 2.369 1.134 0.540 0.912 0.579 CB 1.663 115 residues pruned to eliminate duplicates Z: 115 86.632 2.351 1.150 0.544 0.904 0.553 CB 1.702 115 residues pruned to eliminate duplicates Z: 91 83.541 2.401 1.203 0.549 0.922 0.578 CB 1.722 91 residues pruned to eliminate duplicates Z: 129 89.464 2.331 1.124 0.545 0.906 0.578 CB 1.687 123 residues pruned to eliminate duplicates Z: 6 6.029 1.616 0.867 0.338 1.000 0.200 CA 1.066 6 residues pruned to eliminate duplicates Z: 96 77.667 2.372 1.098 0.509 0.905 0.558 CB 1.754 96 residues pruned to eliminate duplicates Z: 136 91.055 2.378 1.108 0.533 0.874 0.541 CB 1.732 136 residues pruned to eliminate duplicates Z: 100 86.835 2.410 1.161 0.560 0.919 0.566 CB 1.720 100 residues pruned to eliminate duplicates Z: 11 6.429 1.972 0.387 0.230 0.700 0.400 CB 1.455 11 residues pruned to eliminate duplicates Z: 20 21.515 2.242 0.822 0.481 0.789 0.368 CB 1.560 20 residues pruned to eliminate duplicates Z: 21 22.682 2.180 0.766 0.525 0.800 0.300 CB 1.607 21 residues pruned to eliminate duplicates Z: 17 29.399 2.361 0.763 0.568 0.938 0.312 CB 1.764 17 residues pruned to eliminate duplicates Z: 29 27.132 2.273 0.846 0.463 0.821 0.429 CB 1.545 29 residues pruned to eliminate duplicates Z: 53 53.294 2.343 0.992 0.542 0.865 0.577 CB 1.756 53 residues pruned to eliminate duplicates Z: 20 24.504 2.258 0.663 0.536 0.842 0.421 CB 1.715 20 residues pruned to eliminate duplicates Z: 25 29.360 2.356 0.842 0.500 0.792 0.542 CB 1.744 25 residues pruned to eliminate duplicates Z: 19 25.505 2.297 0.830 0.504 0.833 0.444 CB 1.709 19 residues pruned to eliminate duplicates Z: 93 76.706 2.357 1.144 0.503 0.891 0.533 CB 1.770 93 residues pruned to eliminate duplicates Z: 41 56.528 2.356 1.066 0.615 0.950 0.525 CB 1.733 41 residues pruned to eliminate duplicates Z: 41 39.420 2.313 0.864 0.568 0.850 0.550 CB 1.593 41 residues pruned to eliminate duplicates Z: 30 32.494 2.276 0.694 0.488 0.897 0.448 CB 1.767 30 residues pruned to eliminate duplicates Z: 20 27.827 2.229 0.867 0.539 0.895 0.368 CB 1.650 20 residues pruned to eliminate duplicates Z: 41 32.620 2.110 0.876 0.476 0.850 0.475 CB 1.571 41 residues pruned to eliminate duplicates Z: 34 31.945 2.234 0.643 0.486 0.909 0.515 CB 1.691 34 residues pruned to eliminate duplicates Z: 52 58.341 2.343 0.920 0.586 0.941 0.667 CB 1.777 52 residues pruned to eliminate duplicates Z: 33 31.535 2.225 0.603 0.502 0.906 0.562 CB 1.721 33 residues pruned to eliminate duplicates Z: 30 29.570 2.221 0.655 0.531 0.897 0.586 CB 1.616 30 residues pruned to eliminate duplicates Z: 31 33.291 2.269 0.721 0.515 0.900 0.600 CB 1.704 31 residues pruned to eliminate duplicates Z: 117 93.236 2.356 1.080 0.564 0.948 0.560 CB 1.751 117 residues pruned to eliminate duplicates Z: 32 25.808 2.203 0.757 0.421 0.806 0.452 CB 1.612 32 residues pruned to eliminate duplicates Z: 55 57.048 2.327 0.998 0.546 0.926 0.556 CB 1.724 55 residues pruned to eliminate duplicates Z: 40 31.487 2.320 0.665 0.431 0.897 0.487 CB 1.562 40 residues pruned to eliminate duplicates Z: 78 49.648 2.387 0.784 0.471 0.844 0.545 CB 1.620 75 residues pruned to eliminate duplicates Z: 6 8.637 1.888 0.697 0.493 0.800 0.600 N 1.517 6 residues pruned to eliminate duplicates Z: 15 16.755 2.187 0.698 0.403 0.857 0.357 CA 1.558 15 residues pruned to eliminate duplicates Z: 16 23.630 2.282 1.042 0.478 0.867 0.667 CB 1.544 16 residues pruned to eliminate duplicates Z: 29 32.216 2.335 0.981 0.458 0.893 0.571 CB 1.539 29 residues pruned to eliminate duplicates Z: 14 22.437 2.383 0.822 0.440 0.923 0.538 CB 1.651 14 residues pruned to eliminate duplicates Z: 21 19.748 2.319 0.722 0.317 0.850 0.500 CB 1.592 21 residues pruned to eliminate duplicates Z: 28 25.432 2.179 0.915 0.394 0.852 0.444 CB 1.541 28 residues pruned to eliminate duplicates Z: 7 18.658 2.216 0.876 0.553 1.000 0.500 CA 1.740 7 residues pruned to eliminate duplicates Z: 61 55.453 2.334 1.045 0.520 0.917 0.550 CB 1.604 61 residues pruned to eliminate duplicates Z: 19 18.351 2.138 0.943 0.445 0.778 0.444 CB 1.416 19 residues pruned to eliminate duplicates Z: 38 34.562 2.281 0.959 0.438 0.838 0.595 CB 1.617 38 residues pruned to eliminate duplicates Z: 84 60.364 2.407 0.769 0.477 0.940 0.578 CB 1.696 86 residues pruned to eliminate duplicates Z: 12 27.617 2.279 0.752 0.845 0.909 0.727 CA 1.706 12 residues pruned to eliminate duplicates Z: 28 48.716 2.501 1.078 0.634 0.889 0.667 CB 1.790 28 residues pruned to eliminate duplicates Z: 44 49.964 2.475 0.939 0.549 0.907 0.698 CB 1.669 44 residues pruned to eliminate duplicates Z: 46 47.774 2.461 0.737 0.530 0.956 0.667 CB 1.694 45 residues pruned to eliminate duplicates Z: 12 32.467 2.186 1.342 0.895 0.909 0.818 CB 1.507 12 residues pruned to eliminate duplicates Z: 44 48.366 2.488 0.829 0.527 0.907 0.605 CB 1.740 44 residues pruned to eliminate duplicates Z: 17 25.139 2.292 1.072 0.512 0.875 0.562 CB 1.495 17 residues pruned to eliminate duplicates Z: 21 19.479 2.034 0.962 0.411 0.800 0.450 CA 1.498 21 residues pruned to eliminate duplicates Z: 45 46.926 2.489 0.845 0.517 0.886 0.636 CB 1.708 45 residues pruned to eliminate duplicates Z: 33 40.322 2.344 1.022 0.564 0.875 0.656 CB 1.617 33 residues pruned to eliminate duplicates Z: 44 47.914 2.488 0.968 0.527 0.884 0.628 CB 1.645 44 residues pruned to eliminate duplicates Z: 44 54.523 2.485 0.974 0.543 0.953 0.628 CB 1.704 44 residues pruned to eliminate duplicates Z: 17 27.822 2.262 0.946 0.668 0.938 0.625 CB 1.443 17 residues pruned to eliminate duplicates Z: 42 44.895 2.477 0.838 0.517 0.878 0.610 CB 1.726 48 residues pruned to eliminate duplicates Z: 44 47.588 2.452 0.972 0.539 0.884 0.651 CB 1.634 44 residues pruned to eliminate duplicates Z: 46 46.198 2.474 0.929 0.495 0.889 0.444 CB 1.631 46 residues pruned to eliminate duplicates Z: 45 46.507 2.463 0.926 0.512 0.886 0.659 CB 1.649 45 residues pruned to eliminate duplicates Z: 44 47.312 2.480 1.013 0.520 0.884 0.535 CB 1.604 44 residues pruned to eliminate duplicates Z: 40 47.404 2.477 1.142 0.493 0.897 0.462 CB 1.606 40 residues pruned to eliminate duplicates Z: 47 48.340 2.386 1.043 0.505 0.891 0.565 CB 1.633 47 residues pruned to eliminate duplicates Z: 32 39.863 2.497 1.080 0.497 0.903 0.581 CB 1.532 33 residues pruned to eliminate duplicates Z: 12 51.770 2.399 1.565 0.880 1.000 0.364 CA 1.837 12 residues pruned to eliminate duplicates Z: 46 48.066 2.443 0.954 0.500 0.933 0.489 CB 1.609 46 residues pruned to eliminate duplicates Z: 31 39.283 2.467 1.124 0.493 0.867 0.467 CB 1.591 31 residues pruned to eliminate duplicates Z: 43 50.182 2.492 1.118 0.534 0.881 0.571 CB 1.611 43 residues pruned to eliminate duplicates Z: 44 50.651 2.466 1.099 0.555 0.884 0.535 CB 1.599 44 residues pruned to eliminate duplicates Z: 21 25.311 2.440 0.684 0.349 0.950 0.500 CB 1.709 20 residues pruned to eliminate duplicates Z: 7 7.790 1.762 1.149 0.344 1.000 0.500 CA 0.995 7 residues pruned to eliminate duplicates Z: 39 25.858 2.342 0.642 0.302 0.789 0.342 CB 1.723 39 residues pruned to eliminate duplicates Z: 44 48.612 2.483 0.985 0.544 0.884 0.581 CB 1.630 44 residues pruned to eliminate duplicates Z: 44 50.588 2.488 1.114 0.552 0.860 0.628 CB 1.620 44 residues pruned to eliminate duplicates Z: 44 49.234 2.475 1.027 0.544 0.884 0.535 CB 1.622 44 residues pruned to eliminate duplicates Z: 45 49.997 2.427 1.008 0.540 0.955 0.500 CB 1.559 45 residues pruned to eliminate duplicates Z: 46 51.613 2.448 1.102 0.536 0.911 0.378 CB 1.584 46 residues pruned to eliminate duplicates Z: 42 50.409 2.458 1.103 0.496 0.927 0.463 CB 1.650 42 residues pruned to eliminate duplicates Z: 33 35.378 2.413 0.944 0.492 0.875 0.438 CB 1.535 33 residues pruned to eliminate duplicates Z: 31 38.130 2.491 1.064 0.521 0.867 0.467 CB 1.531 31 residues pruned to eliminate duplicates Z: 44 50.890 2.489 1.070 0.547 0.884 0.512 CB 1.628 44 residues pruned to eliminate duplicates Z: 45 49.001 2.455 1.088 0.526 0.864 0.591 CB 1.625 45 residues pruned to eliminate duplicates Z: 20 26.734 2.375 0.806 0.405 0.895 0.421 CB 1.766 20 residues pruned to eliminate duplicates Z: 19 22.700 2.479 0.812 0.349 0.833 0.611 CB 1.684 19 residues pruned to eliminate duplicates Z: 24 11.021 1.962 0.317 0.309 0.870 0.565 CB 1.264 24 residues pruned to eliminate duplicates Z: 13 9.409 2.045 0.413 0.406 0.833 0.500 CB 1.245 13 residues pruned to eliminate duplicates Z: 39 19.330 2.033 0.627 0.374 0.816 0.474 CB 1.330 39 residues pruned to eliminate duplicates Z: 21 11.307 2.048 0.551 0.333 0.800 0.500 CB 1.194 21 residues pruned to eliminate duplicates Z: 18 10.074 1.921 0.652 0.350 0.882 0.353 CB 1.026 18 residues pruned to eliminate duplicates Z: 22 14.908 2.125 0.598 0.317 0.905 0.524 CB 1.295 22 residues pruned to eliminate duplicates Z: 18 9.760 1.916 0.553 0.268 0.882 0.353 CB 1.173 18 residues pruned to eliminate duplicates Z: 27 11.012 1.946 0.596 0.228 0.846 0.308 CB 1.128 27 residues pruned to eliminate duplicates Z: 23 11.534 2.075 0.517 0.266 0.864 0.545 CB 1.181 23 residues pruned to eliminate duplicates Z: 31 19.363 2.088 0.544 0.438 0.800 0.500 CB 1.462 31 residues pruned to eliminate duplicates Z: 22 13.911 2.082 0.529 0.313 0.952 0.476 CB 1.231 22 residues pruned to eliminate duplicates Z: 19 12.081 2.011 0.755 0.365 0.833 0.611 CB 1.120 19 residues pruned to eliminate duplicates Z: 14 25.950 2.183 0.880 0.618 0.923 0.692 CB 1.699 14 residues pruned to eliminate duplicates Z: 26 33.550 2.166 0.818 0.664 0.960 0.800 CB 1.524 26 residues pruned to eliminate duplicates Z: 15 24.329 2.176 0.655 0.567 0.929 0.571 CA 1.821 15 residues pruned to eliminate duplicates Z: 31 16.145 2.044 0.657 0.371 0.800 0.433 CB 1.249 31 residues pruned to eliminate duplicates Z: 14 20.248 2.136 0.741 0.598 0.846 0.538 CA 1.625 14 residues pruned to eliminate duplicates Z: 14 21.037 2.137 0.672 0.552 0.923 0.462 CA 1.682 14 residues pruned to eliminate duplicates Z: 15 21.443 2.239 0.564 0.578 0.857 0.429 CB 1.770 15 residues pruned to eliminate duplicates Z: 13 24.973 2.201 0.892 0.678 0.917 0.750 CB 1.604 13 residues pruned to eliminate duplicates Z: 26 30.646 2.284 0.872 0.601 0.760 0.560 CA 1.714 26 residues pruned to eliminate duplicates Z: 25 42.801 2.278 0.998 0.625 0.958 0.667 CA 1.780 25 residues pruned to eliminate duplicates Z: 51 35.177 2.266 0.656 0.436 0.880 0.540 CB 1.609 51 residues pruned to eliminate duplicates Z: 41 42.922 2.320 0.810 0.523 0.900 0.650 CB 1.755 41 residues pruned to eliminate duplicates Z: 42 42.312 2.299 0.900 0.501 0.878 0.585 CB 1.720 42 residues pruned to eliminate duplicates Z: 32 37.537 2.276 0.849 0.535 0.935 0.774 CB 1.655 32 residues pruned to eliminate duplicates Z: 31 33.822 2.350 0.747 0.549 0.933 0.700 CB 1.537 31 residues pruned to eliminate duplicates Z: 46 31.391 2.225 0.689 0.439 0.822 0.422 CB 1.612 46 residues pruned to eliminate duplicates Z: 42 38.236 2.292 0.828 0.531 0.854 0.439 CB 1.620 42 residues pruned to eliminate duplicates Z: 25 31.862 2.185 1.011 0.613 0.833 0.333 CB 1.596 25 residues pruned to eliminate duplicates Z: 30 33.438 2.354 0.873 0.550 0.828 0.517 CB 1.620 30 residues pruned to eliminate duplicates Z: 14 30.285 2.254 1.338 0.712 0.846 0.231 CB 1.555 14 residues pruned to eliminate duplicates Z: 13 33.640 2.338 1.275 0.800 0.833 0.417 CA 1.685 13 residues pruned to eliminate duplicates Z: 28 38.413 2.370 0.963 0.543 0.926 0.444 CB 1.645 29 residues pruned to eliminate duplicates Z: 13 44.430 2.381 1.498 0.852 1.000 0.250 CB 1.595 13 residues pruned to eliminate duplicates Z: 30 34.488 2.328 0.827 0.543 0.897 0.517 CB 1.611 30 residues pruned to eliminate duplicates Z: 30 32.879 2.301 0.872 0.559 0.897 0.483 CB 1.492 30 residues pruned to eliminate duplicates Z: 30 38.267 2.321 0.889 0.583 0.966 0.448 CB 1.550 30 residues pruned to eliminate duplicates Z: 29 39.037 2.377 0.902 0.553 0.929 0.500 CB 1.670 29 residues pruned to eliminate duplicates Z: 27 33.901 2.311 0.989 0.527 0.885 0.538 CB 1.593 27 residues pruned to eliminate duplicates Z: 27 35.151 2.325 0.845 0.495 0.923 0.500 CB 1.750 27 residues pruned to eliminate duplicates Z: 41 43.606 2.344 0.937 0.527 0.900 0.575 CB 1.643 41 residues pruned to eliminate duplicates Z: 26 35.518 2.335 0.876 0.476 0.960 0.600 CB 1.731 26 residues pruned to eliminate duplicates Z: 6 7.619 1.928 0.407 0.560 1.000 0.200 CB 1.184 6 residues pruned to eliminate duplicates Z: 43 36.031 2.256 0.860 0.493 0.857 0.524 CB 1.557 43 residues pruned to eliminate duplicates Z: 30 38.103 2.327 0.964 0.557 0.897 0.552 CB 1.634 30 residues pruned to eliminate duplicates Z: 31 34.075 2.310 0.847 0.539 0.933 0.567 CB 1.503 31 residues pruned to eliminate duplicates Z: 30 36.861 2.345 0.900 0.559 0.897 0.448 CB 1.618 30 residues pruned to eliminate duplicates Z: 31 29.504 2.323 0.809 0.538 0.800 0.300 CB 1.543 31 residues pruned to eliminate duplicates Z: 6 3.248 1.715 0.173 0.415 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 19 20.201 2.243 0.642 0.360 0.889 0.611 CB 1.691 19 residues pruned to eliminate duplicates Z: 17 15.460 1.956 0.717 0.424 0.812 0.375 CA 1.534 17 residues pruned to eliminate duplicates Z: 20 20.666 2.066 0.879 0.578 0.842 0.421 CB 1.345 20 residues pruned to eliminate duplicates Z: 32 23.774 2.087 0.731 0.468 0.935 0.484 CB 1.305 32 residues pruned to eliminate duplicates Z: 50 35.324 2.161 0.675 0.510 0.898 0.612 CB 1.538 50 residues pruned to eliminate duplicates Z: 31 18.704 2.066 0.649 0.391 0.867 0.600 CB 1.298 31 residues pruned to eliminate duplicates Z: 14 9.510 2.031 0.476 0.298 0.923 0.462 CB 1.195 14 residues pruned to eliminate duplicates Z: 11 16.464 2.305 0.632 0.402 0.900 0.500 CB 1.705 11 residues pruned to eliminate duplicates Z: 22 23.754 2.232 0.571 0.439 1.000 0.714 CB 1.573 22 residues pruned to eliminate duplicates Z: 10 13.689 2.310 0.403 0.347 1.000 0.778 CA 1.662 10 residues pruned to eliminate duplicates Z: 13 14.054 2.171 0.592 0.333 0.917 0.583 CA 1.538 13 residues pruned to eliminate duplicates Z: 25 23.176 2.161 0.608 0.439 0.917 0.542 CB 1.582 25 residues pruned to eliminate duplicates Z: 34 28.184 2.167 0.759 0.453 0.909 0.545 CB 1.486 34 residues pruned to eliminate duplicates Z: 100 56.907 2.173 0.833 0.510 0.909 0.586 CB 1.564 100 residues pruned to eliminate duplicates Z: 23 21.963 2.231 0.641 0.447 0.864 0.591 CB 1.564 23 residues pruned to eliminate duplicates Z: 16 17.464 2.206 0.853 0.344 0.867 0.533 CB 1.508 16 residues pruned to eliminate duplicates Z: 17 23.557 2.171 0.921 0.520 0.875 0.562 CB 1.583 27 residues pruned to eliminate duplicates Z: 26 17.677 2.163 0.905 0.283 0.800 0.440 CB 1.370 26 residues pruned to eliminate duplicates Z: 18 19.449 2.146 0.893 0.451 0.824 0.471 CB 1.483 Z: 7 4.546 1.902 0.347 0.394 0.667 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 24 14.132 2.162 0.799 0.250 0.739 0.391 CB 1.368 42 residues pruned to eliminate duplicates Z: 16 22.997 2.184 0.999 0.452 0.933 0.600 CA 1.531 Z: 6 7.289 1.934 0.870 0.434 0.800 0.400 CA 1.206 6 residues pruned to eliminate duplicates Z: 16 19.779 2.220 0.723 0.417 0.933 0.533 CA 1.560 16 residues pruned to eliminate duplicates Z: 16 14.327 2.170 0.713 0.314 0.933 0.400 CB 1.310 16 residues pruned to eliminate duplicates 791 residues left after pruning, divided into chains as follows: A: 15 B: 11 C: 14 D: 170 E: 169 F: 213 G: 199 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 39.96 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.771, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.894, Connect. = 0.771 for dens.mod. cycle 2 = 0.300, Contrast = 1.069, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 1.098, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 1.121, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 1.127, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 1.134, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 1.134, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 1.134, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 1.132, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 5315 peaks > 0.5 sigma used to seed fragment search Space for about 1914 unique residues taking solvent into account 1055 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 50.319 2.494 1.031 0.854 1.000 0.688 CA 1.833 B: 16 48.069 2.604 0.969 0.849 0.933 0.600 CA 1.923 17 residues pruned to eliminate duplicates C: 12 51.560 2.508 1.217 0.916 1.000 0.818 CA 1.974 D: 18 18.838 2.331 0.661 0.357 0.824 0.412 CB 1.673 E: 17 48.818 2.404 1.252 0.903 0.938 0.750 CB 1.713 F: 13 23.503 2.306 0.797 0.628 0.833 0.250 CB 1.742 G: 17 35.138 2.420 0.753 0.838 0.875 0.688 CB 1.767 17 residues pruned to eliminate duplicates H: 16 47.607 2.655 0.829 0.885 0.933 0.933 CA 1.958 16 residues pruned to eliminate duplicates I: 7 12.745 1.751 0.878 0.763 1.000 0.667 CA 1.253 J: 12 27.204 2.388 0.710 0.899 0.909 0.909 CA 1.580 12 residues pruned to eliminate duplicates K: 17 43.274 2.405 1.343 0.896 0.875 0.625 CB 1.572 17 residues pruned to eliminate duplicates L: 14 42.395 2.274 1.127 0.862 1.000 0.692 CB 1.786 14 residues pruned to eliminate duplicates M: 17 47.616 2.504 0.884 0.875 1.000 0.750 CA 1.836 16 residues pruned to eliminate duplicates N: 16 51.431 2.510 1.318 0.885 0.933 0.800 CA 1.766 17 residues pruned to eliminate duplicates O: 16 46.460 2.544 0.903 0.872 1.000 0.733 CA 1.805 16 residues pruned to eliminate duplicates P: 16 50.571 2.439 1.315 0.886 1.000 0.800 CB 1.668 16 residues pruned to eliminate duplicates Q: 8 11.396 2.544 0.566 0.552 0.571 0.571 CA 1.798 8 residues pruned to eliminate duplicates R: 18 40.419 2.392 0.939 0.821 0.941 0.765 CA 1.700 18 residues pruned to eliminate duplicates S: 17 51.872 2.509 1.187 0.866 0.938 0.625 CB 1.846 17 residues pruned to eliminate duplicates T: 11 25.119 2.093 0.934 0.836 1.000 0.700 CB 1.469 U: 17 49.374 2.484 1.174 0.854 0.938 0.438 CB 1.800 17 residues pruned to eliminate duplicates V: 16 49.027 2.504 1.149 0.889 0.933 0.800 CB 1.815 16 residues pruned to eliminate duplicates W: 11 45.802 2.577 1.285 0.932 1.000 0.900 CB 1.717 11 residues pruned to eliminate duplicates X: 14 30.992 2.262 0.709 0.851 1.000 0.846 CA 1.646 Y: 8 14.500 2.294 0.853 0.782 0.571 0.429 CB 1.760 Z: 16 51.676 2.510 1.404 0.881 0.933 0.600 CB 1.715 16 residues pruned to eliminate duplicates Z: 19 27.944 2.395 0.962 0.485 0.833 0.389 CB 1.707 Z: 16 41.187 2.283 1.044 0.863 0.933 0.800 CB 1.792 Z: 17 44.543 2.362 1.161 0.823 0.938 0.812 CA 1.759 17 residues pruned to eliminate duplicates Z: 13 32.925 2.358 1.208 0.798 0.917 0.583 CA 1.535 Z: 11 17.366 2.075 0.307 0.872 1.000 1.000 CB 1.476 11 residues pruned to eliminate duplicates Z: 17 27.875 2.173 0.727 0.840 0.875 0.750 CB 1.584 Z: 20 22.299 2.165 0.711 0.420 0.895 0.421 CB 1.678 18 residues pruned to eliminate duplicates Z: 17 17.224 2.303 0.606 0.360 0.812 0.500 CB 1.666 8 residues pruned to eliminate duplicates Z: 21 17.209 2.013 0.729 0.458 0.850 0.500 CB 1.357 Z: 13 46.720 2.242 1.330 0.890 1.000 0.833 CA 1.857 14 residues pruned to eliminate duplicates Z: 17 34.604 2.214 0.968 0.834 0.938 0.688 CB 1.588 17 residues pruned to eliminate duplicates Z: 56 57.369 2.288 0.921 0.567 0.945 0.545 CB 1.745 16 residues pruned to eliminate duplicates Z: 17 44.727 2.353 0.995 0.875 1.000 0.812 CA 1.732 Z: 13 27.192 2.226 0.968 0.823 0.833 0.833 CA 1.626 13 residues pruned to eliminate duplicates Z: 17 30.825 2.083 0.704 0.885 0.875 0.688 N 1.791 16 residues pruned to eliminate duplicates Z: 12 35.388 2.453 0.990 0.882 0.909 0.909 CA 1.740 12 residues pruned to eliminate duplicates Z: 29 30.127 2.248 1.022 0.457 0.821 0.536 CB 1.593 Z: 60 37.459 2.200 0.744 0.441 0.898 0.475 CB 1.503 64 residues pruned to eliminate duplicates Z: 16 32.623 2.358 0.505 0.850 1.000 0.867 CA 1.759 Z: 13 34.086 2.323 1.001 0.931 0.917 0.500 CB 1.613 Z: 14 41.923 2.405 1.287 0.902 0.923 0.538 CB 1.634 17 residues pruned to eliminate duplicates Z: 16 23.964 2.444 0.710 0.391 0.933 0.533 CB 1.781 16 residues pruned to eliminate duplicates Z: 13 30.364 2.324 0.980 0.845 0.833 0.667 CA 1.700 13 residues pruned to eliminate duplicates Z: 11 40.630 2.556 0.899 0.906 1.000 1.000 CB 1.882 11 residues pruned to eliminate duplicates Z: 18 26.263 2.107 0.639 0.745 1.000 0.647 CB 1.481 14 residues pruned to eliminate duplicates Z: 31 34.369 2.250 0.817 0.473 0.933 0.567 CB 1.690 31 residues pruned to eliminate duplicates Z: 7 9.717 1.920 0.808 0.682 0.833 0.667 CA 1.160 Z: 16 50.403 2.389 1.149 0.899 1.000 0.600 CA 1.812 16 residues pruned to eliminate duplicates Z: 24 38.061 2.366 1.049 0.448 0.913 0.478 CB 1.892 24 residues pruned to eliminate duplicates Z: 17 29.766 2.195 0.782 0.800 0.875 0.688 CB 1.672 17 residues pruned to eliminate duplicates Z: 14 33.452 2.252 0.911 0.921 0.923 0.846 CA 1.643 14 residues pruned to eliminate duplicates Z: 7 13.737 2.322 0.633 0.526 0.833 0.667 CA 1.729 Z: 6 2.782 1.427 0.199 0.705 0.600 0.400 CA 1.006 6 residues pruned to eliminate duplicates Z: 15 41.242 2.374 1.015 0.862 1.000 0.857 CA 1.691 15 residues pruned to eliminate duplicates Z: 39 30.056 2.263 0.688 0.397 0.816 0.474 CB 1.745 39 residues pruned to eliminate duplicates Z: 17 34.767 2.208 0.923 0.835 0.938 0.625 CA 1.636 17 residues pruned to eliminate duplicates Z: 18 26.068 2.257 0.928 0.476 0.882 0.353 CB 1.686 Z: 13 23.760 2.191 0.580 0.911 1.000 0.917 CA 1.405 13 residues pruned to eliminate duplicates Z: 12 47.322 2.436 1.357 0.925 1.000 0.727 CA 1.743 13 residues pruned to eliminate duplicates Z: 6 23.013 2.673 0.797 0.828 0.800 0.600 CA 2.016 6 residues pruned to eliminate duplicates Z: 22 14.700 2.346 0.643 0.262 0.762 0.524 CB 1.434 Z: 13 35.271 2.374 0.916 0.875 0.917 0.833 CB 1.776 13 residues pruned to eliminate duplicates Z: 80 40.198 2.219 0.840 0.387 0.848 0.506 CB 1.472 50 residues pruned to eliminate duplicates Z: 16 30.817 2.261 0.801 0.864 1.000 0.667 CB 1.432 16 residues pruned to eliminate duplicates Z: 10 40.324 2.597 0.973 0.918 1.000 0.889 CB 1.850 10 residues pruned to eliminate duplicates Z: 33 25.506 2.174 0.917 0.422 0.812 0.531 CB 1.445 33 residues pruned to eliminate duplicates Z: 13 47.105 2.335 1.511 0.885 1.000 0.500 CB 1.675 13 residues pruned to eliminate duplicates Z: 17 48.957 2.533 0.992 0.890 1.000 0.750 CA 1.745 17 residues pruned to eliminate duplicates Z: 84 60.754 2.296 0.977 0.493 0.892 0.566 CB 1.659 44 residues pruned to eliminate duplicates Z: 21 30.760 2.251 1.027 0.455 0.900 0.600 CB 1.754 21 residues pruned to eliminate duplicates Z: 16 53.342 2.601 1.151 0.857 0.933 0.800 CA 1.944 16 residues pruned to eliminate duplicates Z: 16 50.108 2.447 1.118 0.850 0.933 0.800 CA 1.982 17 residues pruned to eliminate duplicates Z: 15 29.848 2.202 0.954 0.812 0.929 0.500 CA 1.522 15 residues pruned to eliminate duplicates Z: 16 34.222 2.246 1.055 0.902 0.933 0.667 CB 1.462 Z: 13 34.802 2.210 0.950 0.896 1.000 0.917 CA 1.671 13 residues pruned to eliminate duplicates Z: 16 47.664 2.403 1.002 0.885 1.000 0.867 CA 1.847 16 residues pruned to eliminate duplicates Z: 12 37.844 2.265 1.311 0.912 1.000 0.818 CA 1.543 12 residues pruned to eliminate duplicates Z: 65 52.136 2.277 1.042 0.479 0.859 0.344 CB 1.666 21 residues pruned to eliminate duplicates Z: 10 28.720 2.517 1.029 0.696 0.889 0.556 CA 1.764 6 residues pruned to eliminate duplicates Z: 13 22.416 2.095 0.729 0.833 0.917 0.833 CB 1.463 Z: 31 38.480 2.259 0.913 0.597 0.967 0.567 CB 1.533 31 residues pruned to eliminate duplicates Z: 12 34.381 2.351 1.065 0.900 0.909 0.909 CA 1.677 12 residues pruned to eliminate duplicates Z: 12 21.221 2.199 0.480 0.904 0.909 0.909 CA 1.540 12 residues pruned to eliminate duplicates Z: 12 24.900 2.075 0.902 0.896 1.000 0.818 CB 1.363 Z: 16 49.385 2.466 1.246 0.887 0.933 0.867 CA 1.778 16 residues pruned to eliminate duplicates Z: 8 21.267 2.196 1.285 0.795 0.857 0.429 CB 1.443 8 residues pruned to eliminate duplicates Z: 14 26.994 2.248 0.665 0.849 0.923 0.692 CA 1.606 14 residues pruned to eliminate duplicates Z: 33 26.024 2.095 0.858 0.438 0.844 0.406 CB 1.493 18 residues pruned to eliminate duplicates Z: 18 28.832 2.094 0.951 0.835 0.882 0.588 CB 1.453 18 residues pruned to eliminate duplicates Z: 91 57.732 2.260 0.900 0.477 0.933 0.556 CB 1.555 150 residues pruned to eliminate duplicates Z: 15 41.199 2.334 0.962 0.863 1.000 0.714 CB 1.763 15 residues pruned to eliminate duplicates Z: 13 47.222 2.506 1.268 0.876 1.000 0.500 CB 1.743 13 residues pruned to eliminate duplicates Z: 100 60.783 2.301 0.860 0.492 0.899 0.515 CB 1.600 100 residues pruned to eliminate duplicates Z: 12 28.855 2.139 0.899 0.894 1.000 0.909 CA 1.536 13 residues pruned to eliminate duplicates Z: 14 36.791 2.266 0.976 0.928 1.000 0.923 CA 1.596 13 residues pruned to eliminate duplicates Z: 10 39.405 2.610 0.803 0.914 1.000 1.000 CB 1.973 10 residues pruned to eliminate duplicates Z: 10 23.471 2.431 1.211 0.678 0.667 0.222 CA 1.853 11 residues pruned to eliminate duplicates Z: 7 24.550 2.461 1.112 0.857 0.833 0.500 CB 1.705 7 residues pruned to eliminate duplicates Z: 16 29.051 2.263 0.658 0.872 0.933 0.867 CA 1.561 16 residues pruned to eliminate duplicates Z: 12 47.002 2.523 1.257 0.899 0.909 0.727 CA 1.956 12 residues pruned to eliminate duplicates Z: 13 26.880 2.062 1.033 0.871 1.000 1.000 CB 1.350 12 residues pruned to eliminate duplicates Z: 14 22.231 1.991 0.671 0.831 0.923 0.923 CA 1.509 14 residues pruned to eliminate duplicates Z: 11 23.882 2.082 0.716 0.900 1.000 1.000 CB 1.510 Z: 13 21.475 2.290 0.967 0.634 0.833 0.500 CA 1.456 10 residues pruned to eliminate duplicates Z: 15 27.779 2.374 1.033 0.532 0.857 0.500 CA 1.738 15 residues pruned to eliminate duplicates Z: 17 25.730 2.211 0.872 0.497 0.938 0.500 CB 1.663 Z: 18 34.070 2.266 0.837 0.875 0.941 0.706 CA 1.533 18 residues pruned to eliminate duplicates Z: 14 31.065 2.339 0.773 0.839 1.000 0.923 CA 1.552 14 residues pruned to eliminate duplicates Z: 35 26.140 2.275 0.777 0.428 0.765 0.412 CB 1.562 35 residues pruned to eliminate duplicates Z: 23 33.181 2.326 1.134 0.441 0.864 0.455 CB 1.753 23 residues pruned to eliminate duplicates Z: 15 36.766 2.406 0.928 0.848 0.929 0.786 CA 1.692 15 residues pruned to eliminate duplicates Z: 15 34.653 2.324 1.110 0.866 0.857 0.714 CB 1.613 15 residues pruned to eliminate duplicates Z: 12 28.866 2.111 1.052 0.909 1.000 1.000 CB 1.426 12 residues pruned to eliminate duplicates Z: 12 38.736 2.325 1.280 0.843 1.000 0.727 CA 1.640 12 residues pruned to eliminate duplicates Z: 6 12.886 2.194 0.759 0.549 1.000 0.600 CA 1.424 6 residues pruned to eliminate duplicates Z: 12 41.947 2.292 1.253 0.902 1.000 1.000 CA 1.746 Z: 9 16.080 2.592 0.131 0.762 0.875 0.500 CB 1.756 9 residues pruned to eliminate duplicates Z: 15 34.139 2.315 0.947 0.889 1.000 0.857 CA 1.457 16 residues pruned to eliminate duplicates Z: 14 24.150 2.073 0.569 0.855 1.000 0.846 CB 1.520 14 residues pruned to eliminate duplicates Z: 12 45.546 2.302 1.452 0.900 1.000 0.636 CB 1.738 12 residues pruned to eliminate duplicates Z: 17 28.619 2.133 0.872 0.871 0.938 0.688 CB 1.394 17 residues pruned to eliminate duplicates Z: 12 33.252 2.138 1.195 0.895 1.000 0.818 CB 1.531 13 residues pruned to eliminate duplicates Z: 15 29.231 2.282 1.067 0.855 0.857 0.786 CA 1.426 15 residues pruned to eliminate duplicates Z: 15 11.757 2.092 0.376 0.405 0.857 0.714 CB 1.407 15 residues pruned to eliminate duplicates Z: 31 28.760 2.236 0.928 0.452 0.800 0.600 CB 1.600 31 residues pruned to eliminate duplicates Z: 15 30.927 2.159 1.080 0.868 0.857 0.571 CB 1.570 15 residues pruned to eliminate duplicates Z: 28 19.834 2.105 0.523 0.430 0.889 0.519 CB 1.440 23 residues pruned to eliminate duplicates Z: 12 44.527 2.263 1.504 0.881 1.000 0.909 CA 1.715 12 residues pruned to eliminate duplicates Z: 17 40.411 2.223 1.223 0.847 1.000 0.625 CB 1.517 17 residues pruned to eliminate duplicates Z: 24 23.388 2.148 1.066 0.436 0.826 0.478 CB 1.422 24 residues pruned to eliminate duplicates Z: 62 64.014 2.381 1.133 0.528 0.902 0.459 CB 1.741 29 residues pruned to eliminate duplicates Z: 57 51.735 2.343 1.069 0.517 0.875 0.571 CB 1.603 57 residues pruned to eliminate duplicates Z: 23 23.143 2.169 1.058 0.431 0.727 0.500 CB 1.633 12 residues pruned to eliminate duplicates Z: 25 33.232 2.297 1.110 0.406 0.917 0.417 CB 1.686 25 residues pruned to eliminate duplicates Z: 6 13.463 2.129 0.705 0.812 0.800 0.600 CA 1.581 6 residues pruned to eliminate duplicates Z: 16 17.437 2.174 0.805 0.411 0.800 0.600 CA 1.574 16 residues pruned to eliminate duplicates Z: 38 44.391 2.348 0.926 0.486 0.919 0.622 CB 1.780 36 residues pruned to eliminate duplicates Z: 11 19.256 2.071 0.486 0.833 1.000 0.900 CB 1.484 11 residues pruned to eliminate duplicates Z: 12 21.206 2.008 0.808 0.856 1.000 0.818 CB 1.299 12 residues pruned to eliminate duplicates Z: 10 14.426 2.190 0.958 0.526 0.667 0.333 CA 1.640 10 residues pruned to eliminate duplicates Z: 86 70.633 2.336 1.072 0.506 0.918 0.576 CB 1.715 86 residues pruned to eliminate duplicates Z: 20 18.640 2.183 0.666 0.498 0.789 0.368 CB 1.492 20 residues pruned to eliminate duplicates Z: 15 31.564 2.230 0.897 0.861 1.000 0.786 CA 1.465 15 residues pruned to eliminate duplicates Z: 82 65.373 2.372 0.917 0.526 0.914 0.531 CB 1.705 39 residues pruned to eliminate duplicates Z: 36 37.314 2.243 1.050 0.502 0.914 0.657 CB 1.497 21 residues pruned to eliminate duplicates Z: 17 45.882 2.342 1.046 0.868 1.000 0.688 CA 1.750 17 residues pruned to eliminate duplicates Z: 15 26.284 2.331 0.900 0.543 0.857 0.286 CB 1.773 15 residues pruned to eliminate duplicates Z: 16 35.928 2.279 1.168 0.880 0.867 0.667 CB 1.570 16 residues pruned to eliminate duplicates Z: 17 33.488 2.242 0.819 0.890 0.938 0.688 CA 1.575 17 residues pruned to eliminate duplicates Z: 46 34.001 2.243 0.845 0.490 0.844 0.422 CB 1.466 38 residues pruned to eliminate duplicates Z: 13 45.430 2.352 1.335 0.874 1.000 0.583 CA 1.738 13 residues pruned to eliminate duplicates Z: 92 91.375 2.402 1.151 0.576 0.956 0.571 CB 1.802 86 residues pruned to eliminate duplicates Z: 40 31.899 2.204 0.877 0.454 0.923 0.590 CB 1.402 40 residues pruned to eliminate duplicates Z: 16 39.903 2.375 0.858 0.848 1.000 0.733 CA 1.732 16 residues pruned to eliminate duplicates Z: 83 64.698 2.286 0.977 0.517 0.915 0.537 CB 1.699 84 residues pruned to eliminate duplicates Z: 16 24.303 2.162 0.573 0.773 0.800 0.533 CA 1.812 16 residues pruned to eliminate duplicates Z: 19 34.500 2.396 1.114 0.482 0.944 0.556 CB 1.732 19 residues pruned to eliminate duplicates Z: 17 42.157 2.310 0.835 0.899 1.000 0.750 CA 1.777 17 residues pruned to eliminate duplicates Z: 24 26.951 2.228 0.934 0.457 0.913 0.652 CB 1.492 14 residues pruned to eliminate duplicates Z: 16 50.885 2.594 1.179 0.851 0.867 0.533 CA 1.986 16 residues pruned to eliminate duplicates Z: 16 29.741 2.236 0.579 0.908 1.000 0.667 CA 1.545 15 residues pruned to eliminate duplicates Z: 27 31.962 2.299 0.699 0.465 0.923 0.577 CB 1.803 28 residues pruned to eliminate duplicates Z: 82 57.359 2.372 0.872 0.513 0.840 0.568 CB 1.688 82 residues pruned to eliminate duplicates Z: 15 32.613 2.116 0.997 0.886 0.929 0.929 CA 1.603 15 residues pruned to eliminate duplicates Z: 14 38.380 2.364 1.100 0.931 0.923 0.462 CB 1.623 14 residues pruned to eliminate duplicates Z: 90 59.854 2.288 0.920 0.521 0.888 0.517 CB 1.594 84 residues pruned to eliminate duplicates Z: 14 14.175 2.123 0.555 0.393 0.923 0.615 CB 1.445 14 residues pruned to eliminate duplicates Z: 16 43.180 2.412 0.975 0.849 0.933 0.800 CA 1.858 16 residues pruned to eliminate duplicates Z: 12 29.916 2.116 1.284 0.889 1.000 0.909 CA 1.343 12 residues pruned to eliminate duplicates Z: 38 31.805 2.150 0.817 0.469 0.919 0.622 CB 1.503 38 residues pruned to eliminate duplicates Z: 53 45.101 2.392 1.018 0.501 0.865 0.615 CB 1.496 46 residues pruned to eliminate duplicates Z: 12 34.481 2.440 0.596 0.920 1.000 1.000 CA 1.879 12 residues pruned to eliminate duplicates Z: 31 28.385 2.172 0.674 0.438 0.867 0.500 CA 1.753 31 residues pruned to eliminate duplicates Z: 10 37.047 2.428 1.100 0.872 1.000 0.889 CB 1.766 10 residues pruned to eliminate duplicates Z: 15 44.979 2.411 1.060 0.876 1.000 0.857 CA 1.758 15 residues pruned to eliminate duplicates Z: 12 5.693 1.671 0.579 0.305 0.727 0.455 CB 1.111 Z: 63 46.415 2.344 0.914 0.427 0.871 0.516 CB 1.627 63 residues pruned to eliminate duplicates Z: 6 9.125 1.656 0.464 0.861 1.000 0.800 CA 1.237 6 residues pruned to eliminate duplicates Z: 36 50.379 2.472 1.214 0.495 0.886 0.429 CB 1.765 36 residues pruned to eliminate duplicates Z: 46 37.993 2.236 0.817 0.529 0.844 0.622 CB 1.604 29 residues pruned to eliminate duplicates Z: 31 38.769 2.480 1.136 0.503 0.900 0.467 CB 1.481 31 residues pruned to eliminate duplicates Z: 21 25.929 2.224 0.826 0.466 0.850 0.600 CB 1.738 21 residues pruned to eliminate duplicates Z: 13 28.469 2.101 1.135 0.873 0.917 0.583 CB 1.456 13 residues pruned to eliminate duplicates Z: 80 69.256 2.402 1.067 0.494 0.911 0.595 CB 1.733 80 residues pruned to eliminate duplicates Z: 29 29.623 2.249 0.856 0.515 0.893 0.464 CB 1.480 28 residues pruned to eliminate duplicates Z: 14 25.263 1.952 0.971 0.898 1.000 0.615 CB 1.303 12 residues pruned to eliminate duplicates Z: 53 33.789 2.120 0.776 0.441 0.885 0.481 CB 1.495 41 residues pruned to eliminate duplicates Z: 13 26.748 1.881 1.002 0.825 1.000 0.667 CB 1.547 13 residues pruned to eliminate duplicates Z: 13 28.719 2.094 1.236 0.881 0.917 0.667 CB 1.399 14 residues pruned to eliminate duplicates Z: 6 5.886 1.656 0.931 0.823 1.000 1.000 CB 0.622 Z: 16 16.285 2.178 0.485 0.398 0.933 0.733 CB 1.551 Z: 27 39.573 2.320 0.934 0.651 0.962 0.423 CB 1.563 27 residues pruned to eliminate duplicates Z: 40 30.554 2.130 0.745 0.421 0.897 0.410 CB 1.593 69 residues pruned to eliminate duplicates Z: 14 9.624 1.963 0.506 0.377 0.846 0.462 CB 1.216 Z: 15 37.910 2.326 0.999 0.896 1.000 0.786 CA 1.560 15 residues pruned to eliminate duplicates Z: 25 48.351 2.329 1.201 0.683 0.958 0.583 CB 1.699 25 residues pruned to eliminate duplicates Z: 12 46.522 2.290 1.506 0.904 1.000 0.727 CA 1.741 12 residues pruned to eliminate duplicates Z: 7 3.630 1.930 0.156 0.434 1.000 0.667 CB 0.711 Z: 28 23.824 2.209 0.689 0.434 0.889 0.593 CB 1.480 28 residues pruned to eliminate duplicates Z: 42 20.852 2.081 0.742 0.395 0.829 0.463 CB 1.211 42 residues pruned to eliminate duplicates Z: 11 20.962 2.234 1.230 0.549 0.700 0.200 CA 1.812 11 residues pruned to eliminate duplicates Z: 13 45.569 2.339 1.196 0.915 1.000 0.667 CA 1.810 13 residues pruned to eliminate duplicates Z: 6 15.374 2.335 0.814 0.490 1.000 0.600 CB 1.639 Z: 20 12.537 2.127 0.594 0.355 0.789 0.474 CB 1.256 20 residues pruned to eliminate duplicates Z: 22 25.755 2.203 0.927 0.450 0.857 0.524 CB 1.626 6 residues pruned to eliminate duplicates Z: 11 28.204 2.216 0.930 0.929 1.000 0.700 CB 1.459 11 residues pruned to eliminate duplicates Z: 15 29.054 2.173 0.978 0.837 0.857 0.571 CA 1.577 15 residues pruned to eliminate duplicates Z: 12 45.533 2.407 1.319 0.917 1.000 0.727 CA 1.736 12 residues pruned to eliminate duplicates Z: 29 34.673 2.368 0.849 0.549 0.893 0.464 CB 1.597 13 residues pruned to eliminate duplicates Z: 19 13.993 2.126 0.761 0.399 0.778 0.500 CB 1.260 19 residues pruned to eliminate duplicates Z: 12 23.112 2.152 0.605 0.865 1.000 0.909 CA 1.478 12 residues pruned to eliminate duplicates Z: 30 21.999 2.184 0.861 0.361 0.759 0.517 CB 1.539 30 residues pruned to eliminate duplicates Z: 61 63.031 2.404 1.063 0.507 0.917 0.517 CB 1.778 61 residues pruned to eliminate duplicates Z: 42 53.526 2.439 1.017 0.549 0.927 0.683 CB 1.747 42 residues pruned to eliminate duplicates Z: 30 32.837 2.302 0.868 0.567 0.862 0.414 CB 1.541 30 residues pruned to eliminate duplicates Z: 44 47.906 2.406 1.129 0.502 0.860 0.558 CB 1.653 44 residues pruned to eliminate duplicates Z: 9 12.666 1.804 0.369 0.861 1.000 0.625 CA 1.333 9 residues pruned to eliminate duplicates Z: 12 22.561 2.064 0.608 0.926 1.000 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 17 34.746 2.317 0.930 0.875 1.000 0.500 CB 1.414 17 residues pruned to eliminate duplicates Z: 16 44.038 2.344 1.221 0.913 0.933 0.800 CB 1.657 16 residues pruned to eliminate duplicates Z: 9 15.420 2.218 0.814 0.699 0.750 0.375 CB 1.506 9 residues pruned to eliminate duplicates Z: 89 76.587 2.376 1.134 0.508 0.920 0.500 CB 1.736 89 residues pruned to eliminate duplicates Z: 116 65.860 2.283 0.915 0.500 0.887 0.504 CB 1.584 111 residues pruned to eliminate duplicates Z: 24 40.139 2.228 1.100 0.655 0.957 0.739 CB 1.619 24 residues pruned to eliminate duplicates Z: 9 8.542 1.830 0.881 0.327 0.750 0.375 CB 1.414 Z: 11 7.183 1.721 0.946 0.283 0.700 0.300 CA 1.238 Z: 16 30.069 2.254 0.628 0.853 0.867 0.867 CA 1.804 16 residues pruned to eliminate duplicates Z: 92 54.405 2.276 0.861 0.456 0.868 0.560 CB 1.623 92 residues pruned to eliminate duplicates Z: 14 27.563 2.288 0.511 0.874 0.923 0.769 CB 1.743 14 residues pruned to eliminate duplicates Z: 12 18.523 2.008 0.724 0.822 1.000 0.727 CA 1.220 12 residues pruned to eliminate duplicates Z: 6 15.404 1.999 1.130 0.562 1.000 0.800 CA 1.524 Z: 25 33.859 2.288 1.103 0.525 0.792 0.583 CB 1.771 25 residues pruned to eliminate duplicates Z: 16 41.423 2.287 1.068 0.881 0.933 0.800 CA 1.754 16 residues pruned to eliminate duplicates Z: 26 25.698 2.318 0.778 0.468 0.760 0.440 CB 1.696 26 residues pruned to eliminate duplicates Z: 21 30.947 2.260 1.084 0.508 0.850 0.500 CB 1.715 21 residues pruned to eliminate duplicates Z: 81 64.318 2.320 0.959 0.504 0.925 0.488 CB 1.704 73 residues pruned to eliminate duplicates Z: 17 32.656 2.258 0.884 0.849 0.875 0.750 CA 1.626 17 residues pruned to eliminate duplicates Z: 9 5.024 1.916 0.744 0.222 0.875 0.250 CB 0.842 Z: 12 34.851 2.122 1.367 0.850 1.000 0.636 CA 1.550 12 residues pruned to eliminate duplicates Z: 6 17.773 2.162 0.713 0.867 1.000 0.800 CA 1.570 6 residues pruned to eliminate duplicates Z: 13 11.867 2.047 0.764 0.547 0.583 0.417 CB 1.554 13 residues pruned to eliminate duplicates Z: 7 11.715 1.876 1.398 0.613 1.000 0.833 CB 0.955 Z: 12 21.630 1.923 0.765 0.866 1.000 0.727 CB 1.406 12 residues pruned to eliminate duplicates Z: 16 40.248 2.269 0.955 0.875 1.000 0.733 CB 1.703 16 residues pruned to eliminate duplicates Z: 31 29.495 2.239 0.637 0.476 0.933 0.500 CB 1.614 31 residues pruned to eliminate duplicates Z: 53 54.764 2.272 1.094 0.573 0.885 0.577 CA 1.682 53 residues pruned to eliminate duplicates Z: 15 39.806 2.444 0.919 0.809 0.929 0.714 CA 1.866 15 residues pruned to eliminate duplicates Z: 12 32.479 2.338 0.748 0.876 1.000 0.636 CA 1.742 12 residues pruned to eliminate duplicates Z: 6 11.330 1.972 1.001 0.511 0.800 0.600 CB 1.588 Z: 24 27.243 2.109 0.806 0.601 0.913 0.652 CA 1.483 24 residues pruned to eliminate duplicates Z: 49 51.507 2.301 0.980 0.595 0.958 0.646 CB 1.555 49 residues pruned to eliminate duplicates Z: 26 17.935 2.047 0.559 0.417 0.840 0.640 CB 1.459 26 residues pruned to eliminate duplicates Z: 12 27.486 2.044 0.924 0.902 1.000 0.545 CB 1.504 Z: 11 22.907 2.027 0.853 0.864 0.900 0.900 CB 1.571 11 residues pruned to eliminate duplicates Z: 66 57.269 2.339 1.132 0.493 0.831 0.415 CB 1.727 66 residues pruned to eliminate duplicates Z: 13 30.264 2.239 1.063 0.882 0.833 0.833 CB 1.643 13 residues pruned to eliminate duplicates Z: 13 25.504 2.270 0.598 0.907 0.917 0.833 CA 1.574 13 residues pruned to eliminate duplicates Z: 26 30.647 2.261 0.978 0.435 0.920 0.560 CB 1.593 26 residues pruned to eliminate duplicates Z: 26 26.108 2.206 0.909 0.428 0.840 0.560 CB 1.589 25 residues pruned to eliminate duplicates Z: 7 4.163 1.853 0.372 0.225 0.667 0.167 N 1.384 Z: 14 35.923 2.286 1.081 0.921 1.000 0.846 CB 1.473 14 residues pruned to eliminate duplicates Z: 14 15.864 1.891 0.695 0.759 0.846 0.769 CB 1.289 14 residues pruned to eliminate duplicates Z: 34 17.638 1.947 0.495 0.361 0.909 0.545 CB 1.348 34 residues pruned to eliminate duplicates Z: 37 27.495 2.182 0.812 0.461 0.806 0.444 CB 1.497 37 residues pruned to eliminate duplicates Z: 31 24.432 2.090 0.731 0.466 0.900 0.600 CB 1.419 31 residues pruned to eliminate duplicates Z: 22 35.420 2.293 1.100 0.492 0.905 0.667 CB 1.789 22 residues pruned to eliminate duplicates Z: 12 23.616 1.992 0.585 0.860 1.000 0.727 CB 1.659 12 residues pruned to eliminate duplicates Z: 7 12.697 2.173 0.747 0.695 0.833 0.500 CB 1.371 7 residues pruned to eliminate duplicates Z: 22 34.904 2.186 1.131 0.483 0.952 0.714 CB 1.746 22 residues pruned to eliminate duplicates Z: 85 63.000 2.259 0.904 0.594 0.929 0.524 CB 1.573 82 residues pruned to eliminate duplicates Z: 11 52.425 2.537 1.456 0.882 1.000 0.800 CB 1.925 11 residues pruned to eliminate duplicates Z: 15 47.161 2.445 1.125 0.862 1.000 0.786 CA 1.780 15 residues pruned to eliminate duplicates Z: 8 16.620 2.163 0.641 0.802 0.857 0.571 CA 1.586 8 residues pruned to eliminate duplicates Z: 11 46.780 2.508 1.472 0.916 0.900 0.500 CB 1.872 11 residues pruned to eliminate duplicates Z: 14 32.629 2.155 0.935 0.921 1.000 0.846 CA 1.527 14 residues pruned to eliminate duplicates Z: 11 29.312 2.277 0.787 0.879 1.000 0.800 CB 1.651 11 residues pruned to eliminate duplicates Z: 16 17.567 2.296 0.503 0.437 0.867 0.533 CA 1.619 16 residues pruned to eliminate duplicates Z: 9 3.051 1.616 0.655 0.351 0.625 0.250 CB 0.758 Z: 13 10.647 1.781 0.709 0.434 0.750 0.333 CB 1.441 Z: 38 37.698 2.268 0.954 0.487 0.919 0.541 CB 1.541 37 residues pruned to eliminate duplicates Z: 49 33.562 2.159 0.572 0.514 0.896 0.542 CB 1.572 27 residues pruned to eliminate duplicates Z: 17 15.841 2.020 0.845 0.362 0.750 0.375 N 1.643 Z: 24 22.638 2.104 0.937 0.370 0.826 0.609 CB 1.611 24 residues pruned to eliminate duplicates Z: 58 34.677 2.187 0.958 0.446 0.772 0.333 CB 1.469 58 residues pruned to eliminate duplicates Z: 6 10.555 2.159 0.059 0.685 1.000 0.800 C 1.742 Z: 13 44.680 2.390 1.396 0.863 1.000 0.750 CA 1.652 13 residues pruned to eliminate duplicates Z: 24 36.077 2.309 1.105 0.488 0.913 0.565 CB 1.716 24 residues pruned to eliminate duplicates Z: 6 10.248 1.753 0.713 0.716 1.000 0.800 N 1.255 6 residues pruned to eliminate duplicates Z: 11 16.031 1.961 0.908 0.443 1.000 0.500 CB 1.438 11 residues pruned to eliminate duplicates Z: 14 20.614 2.088 0.884 0.475 0.923 0.615 CB 1.614 14 residues pruned to eliminate duplicates Z: 69 50.198 2.326 0.841 0.511 0.897 0.485 CB 1.567 69 residues pruned to eliminate duplicates Z: 10 27.723 2.219 0.991 0.915 1.000 0.778 CB 1.478 10 residues pruned to eliminate duplicates Z: 37 38.112 2.191 1.000 0.497 0.944 0.472 CB 1.538 37 residues pruned to eliminate duplicates Z: 18 18.371 2.229 0.671 0.421 0.882 0.588 CB 1.472 18 residues pruned to eliminate duplicates Z: 13 37.701 2.165 1.136 0.905 1.000 0.583 CB 1.675 13 residues pruned to eliminate duplicates Z: 16 15.750 2.161 0.469 0.405 0.933 0.600 CB 1.517 6 residues pruned to eliminate duplicates Z: 7 7.606 1.954 0.367 0.425 0.833 0.500 CB 1.508 7 residues pruned to eliminate duplicates Z: 34 28.656 2.161 1.014 0.448 0.818 0.485 CB 1.477 43 residues pruned to eliminate duplicates Z: 8 13.487 2.063 0.657 0.804 0.714 0.429 CA 1.601 8 residues pruned to eliminate duplicates Z: 38 42.905 2.330 0.850 0.566 0.946 0.757 CB 1.623 47 residues pruned to eliminate duplicates Z: 11 15.567 2.348 0.915 0.589 0.800 0.200 CB 1.256 11 residues pruned to eliminate duplicates Z: 7 8.622 1.667 0.615 0.709 1.000 0.833 CA 1.081 7 residues pruned to eliminate duplicates Z: 17 43.062 2.429 0.837 0.865 1.000 0.750 CA 1.767 17 residues pruned to eliminate duplicates Z: 51 37.374 2.156 0.711 0.535 0.920 0.640 CB 1.504 44 residues pruned to eliminate duplicates Z: 16 58.917 2.599 1.180 0.839 1.000 0.533 CA 2.006 16 residues pruned to eliminate duplicates Z: 11 10.926 2.076 0.970 0.565 0.500 0.300 CA 1.587 11 residues pruned to eliminate duplicates Z: 6 14.084 2.268 0.820 0.693 0.800 0.400 CA 1.598 6 residues pruned to eliminate duplicates Z: 30 31.121 2.261 0.764 0.520 0.862 0.586 CB 1.648 30 residues pruned to eliminate duplicates Z: 12 17.178 2.045 0.154 0.927 1.000 1.000 CA 1.537 12 residues pruned to eliminate duplicates Z: 9 14.639 1.773 0.721 0.762 1.000 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 12 8.441 1.783 0.663 0.393 0.727 0.364 N 1.322 12 residues pruned to eliminate duplicates Z: 17 39.005 2.375 0.796 0.895 1.000 0.750 CA 1.639 17 residues pruned to eliminate duplicates Z: 11 12.340 2.278 0.193 0.409 0.900 0.600 CB 1.755 10 residues pruned to eliminate duplicates Z: 16 20.661 2.253 0.836 0.503 0.933 0.533 CB 1.378 16 residues pruned to eliminate duplicates Z: 25 25.929 2.124 0.797 0.418 0.917 0.542 CB 1.647 229 residues pruned to eliminate duplicates Z: 17 41.042 2.266 0.989 0.879 1.000 0.375 CA 1.651 17 residues pruned to eliminate duplicates Z: 24 24.868 2.188 0.653 0.486 0.870 0.609 CB 1.673 Z: 15 35.866 2.248 0.970 0.856 1.000 0.857 CA 1.597 15 residues pruned to eliminate duplicates Z: 13 35.197 2.294 0.987 0.904 0.917 0.750 CA 1.732 13 residues pruned to eliminate duplicates Z: 39 39.051 2.216 0.909 0.573 0.947 0.553 CB 1.474 38 residues pruned to eliminate duplicates Z: 13 14.495 1.878 0.751 0.600 0.833 0.667 CB 1.388 15 residues pruned to eliminate duplicates Z: 15 13.741 2.038 0.592 0.607 0.929 0.643 CB 1.101 14 residues pruned to eliminate duplicates Z: 23 13.995 2.089 0.506 0.448 0.818 0.409 CB 1.222 23 residues pruned to eliminate duplicates Z: 31 42.672 2.477 1.093 0.529 0.967 0.633 CB 1.511 31 residues pruned to eliminate duplicates Z: 70 45.580 2.262 0.980 0.477 0.826 0.565 CB 1.517 70 residues pruned to eliminate duplicates Z: 6 10.702 2.127 0.617 0.819 0.800 0.400 CA 1.319 6 residues pruned to eliminate duplicates Z: 35 41.628 2.289 0.982 0.507 0.912 0.676 CB 1.713 35 residues pruned to eliminate duplicates Z: 8 24.777 2.238 0.923 0.881 0.857 0.714 CB 1.838 8 residues pruned to eliminate duplicates Z: 15 37.199 2.355 1.296 0.866 0.929 0.429 CB 1.450 15 residues pruned to eliminate duplicates Z: 7 6.528 1.810 1.066 0.388 0.667 0.500 N 1.204 Z: 15 32.627 2.132 0.935 0.869 1.000 0.714 CA 1.544 15 residues pruned to eliminate duplicates Z: 82 61.182 2.350 0.906 0.509 0.901 0.531 CB 1.668 Z: 11 29.434 2.195 1.127 0.817 1.000 0.400 CA 1.514 11 residues pruned to eliminate duplicates Z: 8 12.462 2.287 0.868 0.709 0.571 0.286 CA 1.596 8 residues pruned to eliminate duplicates Z: 11 51.352 2.545 1.316 0.922 1.000 0.800 CA 1.937 11 residues pruned to eliminate duplicates Z: 40 28.015 2.147 0.837 0.435 0.872 0.564 CB 1.396 40 residues pruned to eliminate duplicates Z: 23 28.528 2.213 0.762 0.508 0.955 0.409 CB 1.620 23 residues pruned to eliminate duplicates Z: 10 14.391 1.894 0.501 0.834 0.889 0.778 CA 1.424 10 residues pruned to eliminate duplicates Z: 114 72.643 2.328 0.932 0.493 0.876 0.584 CB 1.747 114 residues pruned to eliminate duplicates Z: 15 39.470 2.304 1.034 0.877 1.000 0.786 CB 1.635 15 residues pruned to eliminate duplicates Z: 39 34.792 2.269 1.034 0.450 0.842 0.526 CB 1.529 28 residues pruned to eliminate duplicates Z: 11 13.981 2.070 0.590 0.794 0.800 0.700 CB 1.298 11 residues pruned to eliminate duplicates Z: 27 25.678 2.211 0.650 0.501 0.923 0.615 CB 1.494 27 residues pruned to eliminate duplicates Z: 32 27.001 2.105 0.836 0.479 0.903 0.581 CB 1.419 33 residues pruned to eliminate duplicates Z: 80 68.282 2.272 0.973 0.569 0.924 0.608 CB 1.736 53 residues pruned to eliminate duplicates Z: 9 15.903 1.892 0.660 0.818 1.000 0.375 CA 1.359 9 residues pruned to eliminate duplicates Z: 23 41.796 2.217 1.152 0.678 0.955 0.591 CB 1.660 23 residues pruned to eliminate duplicates Z: 10 2.823 1.220 0.474 0.263 0.667 0.444 C 1.028 Z: 94 60.431 2.297 1.113 0.449 0.839 0.462 CB 1.622 96 residues pruned to eliminate duplicates Z: 10 21.192 2.193 0.717 0.894 1.000 0.889 CA 1.346 10 residues pruned to eliminate duplicates Z: 15 28.614 2.295 0.565 0.890 1.000 0.857 CA 1.531 15 residues pruned to eliminate duplicates Z: 23 35.555 2.223 1.241 0.521 0.909 0.636 CB 1.640 23 residues pruned to eliminate duplicates Z: 8 12.565 1.873 0.766 0.809 0.857 0.714 CA 1.279 8 residues pruned to eliminate duplicates Z: 7 3.616 2.078 0.477 0.310 0.667 0.333 CB 0.891 7 residues pruned to eliminate duplicates Z: 15 29.648 2.342 0.633 0.894 0.857 0.857 CA 1.734 15 residues pruned to eliminate duplicates Z: 16 38.533 2.276 1.273 0.873 0.933 0.600 CB 1.500 16 residues pruned to eliminate duplicates Z: 17 45.735 2.316 1.178 0.866 0.938 0.500 CA 1.770 17 residues pruned to eliminate duplicates Z: 64 45.424 2.191 0.779 0.555 0.937 0.571 CB 1.486 35 residues pruned to eliminate duplicates Z: 28 24.634 2.079 0.784 0.398 0.926 0.519 CA 1.538 28 residues pruned to eliminate duplicates Z: 32 31.478 2.177 1.051 0.495 0.839 0.581 CB 1.517 32 residues pruned to eliminate duplicates Z: 11 12.554 2.048 0.797 0.507 0.800 0.400 CB 1.340 11 residues pruned to eliminate duplicates Z: 93 62.322 2.277 0.903 0.522 0.902 0.565 CB 1.626 93 residues pruned to eliminate duplicates Z: 47 42.763 2.381 0.969 0.514 0.891 0.500 CB 1.487 47 residues pruned to eliminate duplicates Z: 12 28.788 2.329 0.807 0.939 1.000 1.000 CA 1.433 12 residues pruned to eliminate duplicates Z: 40 32.863 2.231 0.876 0.472 0.897 0.564 CB 1.441 39 residues pruned to eliminate duplicates Z: 16 32.973 2.438 0.640 0.873 1.000 0.933 CA 1.551 16 residues pruned to eliminate duplicates Z: 11 19.163 1.963 0.866 0.837 0.900 0.600 CB 1.375 11 residues pruned to eliminate duplicates Z: 9 8.791 1.844 0.584 0.527 1.000 0.375 CB 1.036 Z: 9 11.208 1.943 0.690 0.366 1.000 0.750 CB 1.393 9 residues pruned to eliminate duplicates Z: 25 31.307 2.073 0.920 0.618 0.958 0.667 CA 1.499 25 residues pruned to eliminate duplicates Z: 12 35.774 2.382 0.908 0.922 1.000 1.000 CA 1.669 12 residues pruned to eliminate duplicates Z: 12 34.767 2.130 1.409 0.905 1.000 0.818 CA 1.453 12 residues pruned to eliminate duplicates Z: 17 40.139 2.252 1.063 0.877 0.938 0.625 CB 1.674 17 residues pruned to eliminate duplicates Z: 9 10.833 1.810 0.801 0.491 0.875 0.500 CB 1.354 Z: 12 48.194 2.398 1.334 0.928 1.000 0.636 CA 1.818 12 residues pruned to eliminate duplicates Z: 15 59.191 2.540 1.565 0.912 1.000 0.714 CB 1.719 15 residues pruned to eliminate duplicates Z: 14 23.708 2.447 0.624 0.472 0.923 0.538 CB 1.843 15 residues pruned to eliminate duplicates Z: 14 13.155 1.846 0.448 0.583 1.000 0.846 CB 1.260 12 residues pruned to eliminate duplicates Z: 8 5.435 1.854 0.286 0.370 0.857 0.571 CB 1.155 Z: 29 38.653 2.406 1.194 0.578 0.857 0.429 CB 1.498 29 residues pruned to eliminate duplicates Z: 17 52.120 2.498 1.095 0.889 0.938 0.688 CA 1.912 17 residues pruned to eliminate duplicates Z: 17 11.212 2.008 0.810 0.434 0.875 0.562 CB 0.944 12 residues pruned to eliminate duplicates Z: 52 57.653 2.349 1.215 0.569 0.941 0.510 CB 1.542 69 residues pruned to eliminate duplicates Z: 8 11.334 1.941 0.823 0.759 0.857 0.714 CA 1.122 8 residues pruned to eliminate duplicates Z: 11 3.210 1.564 0.766 0.276 0.500 0.400 N 0.947 Z: 10 17.993 2.118 0.579 0.860 1.000 1.000 CA 1.319 10 residues pruned to eliminate duplicates Z: 6 6.655 1.754 0.204 0.607 1.000 0.600 CB 1.273 Z: 43 31.489 2.145 0.628 0.407 0.929 0.524 CB 1.651 42 residues pruned to eliminate duplicates Z: 26 30.329 2.134 0.946 0.604 0.920 0.560 CB 1.438 26 residues pruned to eliminate duplicates Z: 11 13.043 1.723 0.922 0.404 1.000 0.800 N 1.377 Z: 15 33.675 2.150 1.100 0.931 0.929 0.643 CB 1.500 15 residues pruned to eliminate duplicates Z: 84 52.926 2.294 0.837 0.425 0.880 0.482 CB 1.695 84 residues pruned to eliminate duplicates Z: 8 5.186 1.738 0.912 0.377 0.714 0.429 N 0.941 7 residues pruned to eliminate duplicates Z: 7 7.598 1.664 0.382 0.673 0.833 0.667 CA 1.380 6 residues pruned to eliminate duplicates Z: 17 40.904 2.243 1.103 0.893 0.938 0.688 CA 1.660 17 residues pruned to eliminate duplicates Z: 7 11.682 1.910 1.040 0.570 0.833 0.667 CB 1.372 7 residues pruned to eliminate duplicates Z: 13 20.051 1.938 0.889 0.903 0.917 0.917 CA 1.230 13 residues pruned to eliminate duplicates Z: 9 19.849 2.252 0.541 0.910 1.000 1.000 CA 1.434 9 residues pruned to eliminate duplicates Z: 16 11.349 1.851 0.558 0.405 0.933 0.400 CB 1.204 15 residues pruned to eliminate duplicates Z: 15 38.700 2.342 1.175 0.852 0.929 0.571 CB 1.618 15 residues pruned to eliminate duplicates Z: 9 6.795 1.970 0.513 0.363 0.875 0.500 CB 1.067 9 residues pruned to eliminate duplicates Z: 13 32.470 2.139 0.895 0.894 1.000 0.833 CB 1.660 13 residues pruned to eliminate duplicates Z: 14 26.436 1.948 0.907 0.906 1.000 0.846 CB 1.403 12 residues pruned to eliminate duplicates Z: 37 42.142 2.268 0.935 0.569 0.889 0.639 CB 1.684 37 residues pruned to eliminate duplicates Z: 64 50.512 2.237 0.983 0.517 0.873 0.524 CB 1.616 64 residues pruned to eliminate duplicates Z: 7 4.127 1.980 0.244 0.407 0.833 0.500 CB 0.905 7 residues pruned to eliminate duplicates Z: 39 30.049 2.120 0.844 0.442 0.842 0.474 CB 1.572 68 residues pruned to eliminate duplicates Z: 6 12.048 2.144 1.458 0.643 0.600 0.600 CA 1.491 6 residues pruned to eliminate duplicates Z: 14 18.765 1.818 0.685 0.847 0.923 0.615 CB 1.366 14 residues pruned to eliminate duplicates Z: 7 20.755 2.362 1.117 0.590 1.000 0.500 CA 1.555 7 residues pruned to eliminate duplicates Z: 9 14.692 1.905 1.242 0.713 0.750 0.375 CA 1.337 9 residues pruned to eliminate duplicates Z: 83 59.911 2.381 0.942 0.526 0.866 0.585 CB 1.611 83 residues pruned to eliminate duplicates Z: 83 87.455 2.390 1.212 0.573 0.963 0.537 CB 1.767 83 residues pruned to eliminate duplicates Z: 16 30.401 2.230 0.811 0.821 0.867 0.800 CA 1.698 16 residues pruned to eliminate duplicates Z: 76 61.544 2.354 0.990 0.523 0.907 0.547 CB 1.636 78 residues pruned to eliminate duplicates Z: 21 20.167 2.129 0.699 0.638 0.800 0.550 CB 1.369 21 residues pruned to eliminate duplicates Z: 6 6.992 2.230 0.181 0.250 1.000 0.400 CA 1.583 6 residues pruned to eliminate duplicates Z: 23 14.218 2.026 0.546 0.364 0.773 0.409 CB 1.450 23 residues pruned to eliminate duplicates Z: 16 29.324 2.263 0.589 0.860 0.933 0.867 CA 1.659 16 residues pruned to eliminate duplicates Z: 16 33.826 2.264 0.968 0.804 0.933 0.667 CB 1.611 16 residues pruned to eliminate duplicates Z: 12 31.778 2.174 1.170 0.899 0.909 0.727 CB 1.597 12 residues pruned to eliminate duplicates Z: 22 37.156 2.298 1.081 0.587 0.905 0.667 CB 1.724 30 residues pruned to eliminate duplicates Z: 41 28.751 2.186 0.964 0.341 0.800 0.525 CB 1.573 41 residues pruned to eliminate duplicates Z: 55 34.785 2.275 0.832 0.436 0.778 0.500 CB 1.561 55 residues pruned to eliminate duplicates Z: 16 29.063 2.231 0.840 0.855 0.867 0.667 CB 1.557 16 residues pruned to eliminate duplicates Z: 13 23.371 2.150 0.744 0.721 1.000 0.417 CB 1.473 13 residues pruned to eliminate duplicates Z: 6 5.298 1.338 1.127 0.697 1.000 0.600 N 0.695 Z: 6 4.450 1.969 0.537 0.293 0.600 0.600 N 1.383 Z: 14 35.188 2.239 1.010 0.842 1.000 0.846 CB 1.616 14 residues pruned to eliminate duplicates Z: 74 52.005 2.291 0.883 0.485 0.904 0.493 CB 1.583 74 residues pruned to eliminate duplicates Z: 10 5.355 1.897 0.832 0.195 0.556 0.333 CB 1.330 4 residues pruned to eliminate duplicates Z: 8 22.446 1.959 1.051 0.893 1.000 0.571 CB 1.516 8 residues pruned to eliminate duplicates Z: 23 21.979 2.052 0.813 0.432 0.818 0.364 CB 1.651 Z: 8 7.646 1.797 0.667 0.643 0.857 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 8 10.132 1.764 0.494 0.809 0.857 0.714 O 1.295 8 residues pruned to eliminate duplicates Z: 55 42.193 2.189 0.797 0.577 0.852 0.593 CB 1.591 55 residues pruned to eliminate duplicates Z: 8 17.596 2.056 0.667 0.643 1.000 0.714 CB 1.698 8 residues pruned to eliminate duplicates Z: 85 52.818 2.312 0.894 0.450 0.857 0.548 CB 1.615 110 residues pruned to eliminate duplicates Z: 19 16.378 2.150 0.556 0.414 1.000 0.556 CB 1.262 19 residues pruned to eliminate duplicates Z: 7 5.101 1.822 0.767 0.333 0.667 0.333 CA 1.165 Z: 47 54.152 2.325 1.024 0.594 0.957 0.630 CB 1.621 47 residues pruned to eliminate duplicates Z: 13 29.738 2.090 1.088 0.917 0.917 0.583 CB 1.515 Z: 16 10.557 1.757 0.580 0.427 0.867 0.533 CB 1.221 16 residues pruned to eliminate duplicates Z: 11 18.238 1.940 0.594 0.836 1.000 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 13 11.202 2.019 0.976 0.422 0.667 0.333 CA 1.319 13 residues pruned to eliminate duplicates Z: 9 14.393 1.837 0.743 0.715 0.875 0.875 CB 1.495 8 residues pruned to eliminate duplicates Z: 14 40.102 2.356 1.005 0.876 1.000 0.846 CB 1.712 14 residues pruned to eliminate duplicates Z: 15 37.984 2.348 0.903 0.921 1.000 0.714 CA 1.599 15 residues pruned to eliminate duplicates Z: 6 2.900 1.841 0.488 0.299 0.600 0.400 CB 0.988 Z: 29 44.634 2.363 0.989 0.594 0.893 0.429 CA 1.837 29 residues pruned to eliminate duplicates Z: 14 16.844 2.224 0.978 0.398 0.846 0.538 CB 1.397 14 residues pruned to eliminate duplicates Z: 13 14.640 1.604 0.709 0.812 0.917 0.667 CA 1.282 13 residues pruned to eliminate duplicates Z: 14 32.357 2.269 0.844 0.900 1.000 0.769 CA 1.531 14 residues pruned to eliminate duplicates Z: 27 28.325 2.191 0.753 0.532 0.923 0.692 CB 1.518 27 residues pruned to eliminate duplicates Z: 9 6.161 2.012 -0.007 0.462 0.750 0.375 CB 1.512 9 residues pruned to eliminate duplicates Z: 47 55.906 2.327 1.091 0.558 0.913 0.609 CB 1.753 54 residues pruned to eliminate duplicates Z: 9 3.358 1.520 -0.106 0.491 0.875 0.375 CB 1.007 Z: 14 34.260 2.145 0.948 0.875 1.000 0.692 CA 1.654 14 residues pruned to eliminate duplicates Z: 6 9.633 1.835 0.201 0.733 1.000 0.600 CA 1.586 6 residues pruned to eliminate duplicates Z: 21 29.094 2.319 0.792 0.460 0.950 0.650 CB 1.717 21 residues pruned to eliminate duplicates Z: 11 13.252 1.642 0.983 0.669 1.000 0.600 CA 1.101 11 residues pruned to eliminate duplicates Z: 17 9.732 1.912 0.633 0.349 0.812 0.750 CB 1.129 17 residues pruned to eliminate duplicates Z: 38 42.826 2.350 1.021 0.530 0.946 0.703 CB 1.521 38 residues pruned to eliminate duplicates Z: 20 22.477 2.037 1.084 0.508 0.842 0.579 CB 1.431 20 residues pruned to eliminate duplicates Z: 37 29.987 2.214 0.823 0.470 0.889 0.528 CB 1.436 38 residues pruned to eliminate duplicates Z: 30 26.868 2.235 0.927 0.422 0.793 0.448 CB 1.584 30 residues pruned to eliminate duplicates Z: 16 21.293 2.074 0.926 0.532 0.800 0.667 CA 1.667 16 residues pruned to eliminate duplicates Z: 17 5.402 1.751 0.173 0.453 0.875 0.500 CB 0.789 Z: 12 12.629 2.128 0.453 0.446 0.909 0.545 CB 1.432 12 residues pruned to eliminate duplicates Z: 7 2.698 2.027 0.326 0.219 0.500 0.333 CB 1.140 Z: 12 14.262 1.880 1.056 0.664 0.727 0.545 CB 1.314 12 residues pruned to eliminate duplicates Z: 13 29.915 2.103 0.968 0.866 1.000 0.833 CB 1.528 13 residues pruned to eliminate duplicates Z: 63 55.446 2.359 0.993 0.514 0.823 0.500 CB 1.796 63 residues pruned to eliminate duplicates Z: 6 10.427 2.068 1.214 0.506 0.600 0.400 CA 1.687 6 residues pruned to eliminate duplicates Z: 43 32.520 2.221 0.780 0.441 0.905 0.452 CB 1.491 43 residues pruned to eliminate duplicates Z: 13 30.216 2.073 1.390 0.893 0.917 0.667 CB 1.378 13 residues pruned to eliminate duplicates Z: 9 15.760 1.928 1.068 0.537 0.875 0.625 CA 1.541 Z: 11 41.148 2.275 1.590 0.908 1.000 0.500 CA 1.569 11 residues pruned to eliminate duplicates Z: 6 2.065 1.729 0.333 0.299 0.600 0.600 CB 0.836 Z: 7 20.525 2.598 0.789 0.738 0.833 0.667 CA 1.747 7 residues pruned to eliminate duplicates Z: 21 28.345 2.230 0.956 0.535 0.900 0.650 CB 1.560 21 residues pruned to eliminate duplicates Z: 71 69.976 2.376 1.150 0.524 0.900 0.486 CB 1.776 71 residues pruned to eliminate duplicates Z: 8 14.299 1.861 0.667 0.717 1.000 0.429 CB 1.432 8 residues pruned to eliminate duplicates Z: 16 11.087 1.884 0.662 0.369 0.733 0.467 CA 1.435 16 residues pruned to eliminate duplicates Z: 15 12.713 1.983 0.515 0.491 0.714 0.500 CB 1.597 15 residues pruned to eliminate duplicates Z: 22 35.257 2.218 0.784 0.708 1.000 0.667 CA 1.609 22 residues pruned to eliminate duplicates Z: 15 25.661 2.229 0.910 0.800 0.857 0.643 CA 1.446 15 residues pruned to eliminate duplicates Z: 6 2.828 1.933 -0.209 0.547 0.800 0.600 CB 0.988 Z: 21 28.493 2.201 0.980 0.661 0.850 0.750 CA 1.482 21 residues pruned to eliminate duplicates Z: 16 25.468 2.069 1.010 0.577 1.000 0.600 CB 1.468 16 residues pruned to eliminate duplicates Z: 16 52.219 2.571 1.030 0.862 1.000 0.533 CA 1.897 16 residues pruned to eliminate duplicates Z: 27 29.500 2.075 1.165 0.479 0.846 0.500 CB 1.554 27 residues pruned to eliminate duplicates Z: 7 9.738 2.000 0.710 0.621 0.833 0.833 CB 1.245 7 residues pruned to eliminate duplicates Z: 25 30.166 2.253 0.958 0.627 0.833 0.583 CB 1.486 25 residues pruned to eliminate duplicates Z: 85 90.920 2.401 1.215 0.614 0.940 0.619 CB 1.780 85 residues pruned to eliminate duplicates Z: 12 21.236 1.996 1.376 0.751 0.818 0.364 CB 1.319 12 residues pruned to eliminate duplicates Z: 30 19.236 2.021 0.625 0.502 0.793 0.517 CB 1.369 30 residues pruned to eliminate duplicates Z: 11 9.596 2.140 0.502 0.327 0.800 0.500 CB 1.426 11 residues pruned to eliminate duplicates Z: 10 23.247 2.255 1.110 0.740 0.889 0.556 CA 1.478 10 residues pruned to eliminate duplicates Z: 22 25.569 2.178 0.956 0.433 0.857 0.524 CB 1.638 22 residues pruned to eliminate duplicates Z: 28 27.092 2.182 0.888 0.475 0.815 0.556 CB 1.594 28 residues pruned to eliminate duplicates Z: 14 35.151 2.187 1.078 0.907 1.000 0.692 CB 1.524 14 residues pruned to eliminate duplicates Z: 7 4.245 1.748 0.128 0.409 0.667 0.500 O 1.450 7 residues pruned to eliminate duplicates Z: 15 8.398 1.916 0.657 0.275 0.714 0.500 CB 1.277 Z: 12 18.903 1.889 0.917 0.812 0.909 0.727 CB 1.319 12 residues pruned to eliminate duplicates Z: 24 27.397 2.274 0.725 0.492 0.913 0.609 CA 1.608 24 residues pruned to eliminate duplicates Z: 56 47.596 2.273 0.903 0.446 0.945 0.618 CB 1.659 56 residues pruned to eliminate duplicates Z: 20 24.080 2.271 0.874 0.398 0.842 0.474 CB 1.717 20 residues pruned to eliminate duplicates Z: 6 4.760 1.957 -0.125 0.567 0.800 0.600 N 1.456 7 1.658 1.803 0.797 0.250 0.333 0.333 CB 0.835 ? Z: 17 17.845 2.217 0.597 0.542 1.000 0.750 CB 1.210 23 residues pruned to eliminate duplicates Z: 45 49.474 2.450 1.068 0.532 0.886 0.568 CB 1.610 45 residues pruned to eliminate duplicates Z: 19 18.784 2.313 0.614 0.414 0.889 0.556 CB 1.460 19 residues pruned to eliminate duplicates Z: 8 3.891 1.778 0.488 0.462 0.857 0.571 CB 0.674 8 residues pruned to eliminate duplicates Z: 14 8.856 1.905 0.433 0.409 0.923 0.538 CB 1.072 14 residues pruned to eliminate duplicates Z: 12 20.469 1.979 1.303 0.779 0.818 0.636 CA 1.294 12 residues pruned to eliminate duplicates Z: 15 36.800 2.328 0.962 0.925 0.929 0.857 CA 1.627 15 residues pruned to eliminate duplicates Z: 14 21.490 1.994 0.641 0.800 0.846 0.769 CA 1.656 14 residues pruned to eliminate duplicates Z: 16 10.594 1.930 0.519 0.456 0.800 0.333 CB 1.220 16 residues pruned to eliminate duplicates Z: 7 9.904 2.022 0.542 0.527 1.000 0.667 CB 1.263 8 residues pruned to eliminate duplicates Z: 9 16.929 1.774 0.711 0.827 1.000 0.625 CB 1.486 9 residues pruned to eliminate duplicates Z: 18 22.119 2.238 0.895 0.578 0.765 0.412 CB 1.535 18 residues pruned to eliminate duplicates Z: 16 8.798 2.104 0.450 0.372 0.600 0.400 CB 1.424 Z: 9 21.437 1.959 1.102 0.804 1.000 0.500 CA 1.411 9 residues pruned to eliminate duplicates Z: 15 15.968 2.151 0.624 0.599 0.714 0.571 CB 1.556 15 residues pruned to eliminate duplicates Z: 8 4.160 1.784 0.443 0.501 0.857 0.714 CB 0.712 Z: 10 14.377 2.066 0.418 0.869 1.000 0.889 CB 1.195 10 residues pruned to eliminate duplicates Z: 40 32.371 2.197 0.787 0.367 0.846 0.462 CB 1.800 40 residues pruned to eliminate duplicates Z: 8 2.596 1.829 0.091 0.457 0.714 0.571 CB 0.719 Z: 6 4.192 1.777 0.734 0.498 0.800 0.600 CB 0.762 6 residues pruned to eliminate duplicates Z: 39 42.424 2.293 0.945 0.521 0.868 0.447 CB 1.741 39 residues pruned to eliminate duplicates Z: 12 30.206 2.118 0.821 0.915 1.000 0.818 CB 1.668 13 residues pruned to eliminate duplicates Z: 37 42.897 2.339 0.974 0.478 0.889 0.528 CB 1.780 37 residues pruned to eliminate duplicates Z: 6 3.470 1.573 0.854 0.483 1.000 0.600 CB 0.541 Z: 15 4.346 1.726 0.234 0.350 0.857 0.571 CB 0.749 9 residues pruned to eliminate duplicates Z: 52 46.918 2.198 1.051 0.441 0.902 0.490 CB 1.716 52 residues pruned to eliminate duplicates Z: 11 5.327 1.889 0.601 0.228 0.700 0.400 CB 1.094 11 residues pruned to eliminate duplicates Z: 9 15.059 1.849 0.414 0.856 1.000 0.625 CB 1.502 9 residues pruned to eliminate duplicates Z: 17 16.291 2.254 0.771 0.445 0.812 0.562 CB 1.328 17 residues pruned to eliminate duplicates Z: 6 5.063 1.743 0.706 0.367 0.800 0.400 CA 1.097 Z: 129 65.411 2.195 0.892 0.493 0.898 0.531 CB 1.561 129 residues pruned to eliminate duplicates Z: 31 31.508 2.277 0.886 0.536 0.800 0.600 CB 1.616 31 residues pruned to eliminate duplicates Z: 9 13.974 1.889 0.691 0.853 0.875 0.500 CB 1.307 9 residues pruned to eliminate duplicates Z: 10 6.780 1.911 0.682 0.383 0.667 0.444 CA 1.195 Z: 10 3.855 1.527 0.587 0.252 0.667 0.333 CB 1.057 Z: 16 30.438 2.051 0.861 0.882 1.000 0.733 CA 1.490 16 residues pruned to eliminate duplicates Z: 6 6.518 1.634 0.351 0.497 1.000 0.800 C 1.324 Z: 6 10.183 1.941 0.488 0.823 0.800 0.600 CB 1.489 6 residues pruned to eliminate duplicates Z: 7 8.033 1.973 0.099 0.686 0.833 0.833 C 1.531 Z: 6 3.004 1.755 0.555 0.424 1.000 0.600 CB 0.533 Z: 20 14.461 2.109 0.595 0.461 0.947 0.632 CB 1.083 20 residues pruned to eliminate duplicates Z: 42 26.244 2.172 0.720 0.401 0.829 0.488 CB 1.469 42 residues pruned to eliminate duplicates Z: 23 22.485 2.108 0.537 0.610 0.864 0.591 CB 1.544 23 residues pruned to eliminate duplicates Z: 16 34.654 2.275 0.806 0.877 0.933 0.800 CB 1.694 16 residues pruned to eliminate duplicates Z: 9 26.237 2.171 1.021 0.792 0.875 0.625 CB 1.871 9 residues pruned to eliminate duplicates Z: 16 35.347 2.358 1.323 0.893 0.867 0.333 CB 1.381 16 residues pruned to eliminate duplicates Z: 6 8.304 2.087 0.959 0.486 0.600 0.600 CA 1.535 6 residues pruned to eliminate duplicates Z: 7 4.162 1.828 0.229 0.434 0.667 0.667 CB 1.215 7 residues pruned to eliminate duplicates Z: 9 6.286 1.814 1.018 0.234 0.875 0.375 N 0.945 Z: 9 6.355 1.851 0.589 0.269 0.750 0.375 N 1.324 Z: 17 10.487 1.921 0.627 0.446 0.812 0.625 CB 1.092 16 residues pruned to eliminate duplicates Z: 20 15.770 2.214 0.491 0.296 0.842 0.474 CB 1.636 20 residues pruned to eliminate duplicates Z: 14 20.554 1.974 0.633 0.890 0.923 0.769 CB 1.379 14 residues pruned to eliminate duplicates Z: 63 51.778 2.257 0.893 0.521 0.919 0.597 CB 1.640 63 residues pruned to eliminate duplicates Z: 7 8.346 1.723 0.114 0.851 1.000 0.667 CB 1.314 7 residues pruned to eliminate duplicates Z: 17 12.155 1.974 0.266 0.454 0.875 0.562 CB 1.456 17 residues pruned to eliminate duplicates Z: 15 40.315 2.354 1.198 0.859 0.929 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 24 16.328 2.095 0.758 0.439 0.696 0.261 CB 1.414 24 residues pruned to eliminate duplicates Z: 93 85.226 2.386 1.135 0.582 0.924 0.533 CB 1.744 93 residues pruned to eliminate duplicates Z: 8 10.599 1.673 0.655 0.839 0.857 0.571 CB 1.261 8 residues pruned to eliminate duplicates Z: 14 31.446 2.404 0.936 0.571 0.923 0.538 CA 1.894 14 residues pruned to eliminate duplicates Z: 44 44.069 2.287 1.031 0.479 0.884 0.558 CB 1.673 44 residues pruned to eliminate duplicates Z: 11 24.347 2.114 1.497 0.891 0.900 0.800 CA 1.165 11 residues pruned to eliminate duplicates Z: 68 36.677 2.144 0.703 0.507 0.866 0.448 CB 1.409 73 residues pruned to eliminate duplicates Z: 15 31.339 2.152 0.890 0.902 1.000 0.714 CB 1.468 15 residues pruned to eliminate duplicates Z: 8 6.272 1.888 0.130 0.605 1.000 0.857 CB 1.005 Z: 16 22.265 2.168 0.613 0.869 0.867 0.733 CA 1.385 16 residues pruned to eliminate duplicates Z: 34 31.104 2.383 0.811 0.460 0.848 0.667 CB 1.541 34 residues pruned to eliminate duplicates Z: 90 63.820 2.285 0.840 0.548 0.910 0.584 CB 1.687 90 residues pruned to eliminate duplicates Z: 14 27.770 2.256 0.781 0.851 0.923 0.769 CA 1.538 14 residues pruned to eliminate duplicates Z: 6 4.491 1.277 0.573 0.727 1.000 0.400 N 0.815 Z: 6 2.892 1.488 -0.070 0.559 0.800 0.800 CB 1.104 Z: 124 74.634 2.277 0.924 0.530 0.935 0.577 CB 1.595 124 residues pruned to eliminate duplicates Z: 52 34.547 2.227 0.734 0.436 0.922 0.569 CB 1.453 78 residues pruned to eliminate duplicates Z: 9 11.043 1.768 0.705 0.785 0.750 0.500 N 1.344 9 residues pruned to eliminate duplicates Z: 18 31.919 2.207 0.777 0.761 0.941 0.706 CA 1.663 18 residues pruned to eliminate duplicates Z: 102 50.076 2.250 0.886 0.429 0.802 0.554 CB 1.575 102 residues pruned to eliminate duplicates Z: 18 17.368 2.112 0.936 0.450 0.765 0.529 CB 1.418 18 residues pruned to eliminate duplicates Z: 15 10.172 1.982 0.562 0.399 0.857 0.643 CB 1.140 15 residues pruned to eliminate duplicates Z: 7 20.084 2.073 1.009 0.889 0.833 0.500 CB 1.700 7 residues pruned to eliminate duplicates Z: 15 34.572 2.354 0.843 0.861 0.929 0.643 CB 1.684 15 residues pruned to eliminate duplicates Z: 6 5.219 1.928 0.572 0.667 0.800 0.800 CB 0.825 Z: 8 4.504 1.570 0.671 0.212 0.714 0.571 CB 1.276 Z: 6 10.730 1.958 1.292 0.645 0.800 0.800 CB 1.167 6 residues pruned to eliminate duplicates Z: 6 2.396 1.727 0.476 0.288 0.600 0.400 CB 0.889 Z: 9 11.838 1.770 0.547 0.835 0.875 0.750 CB 1.308 9 residues pruned to eliminate duplicates Z: 41 36.475 2.340 0.838 0.503 0.875 0.625 CB 1.528 41 residues pruned to eliminate duplicates Z: 9 8.583 1.761 0.571 0.621 1.000 0.875 O 0.978 Z: 36 36.230 2.281 0.814 0.476 0.943 0.686 CB 1.608 36 residues pruned to eliminate duplicates Z: 11 35.460 2.324 1.054 0.937 1.000 0.900 CB 1.635 11 residues pruned to eliminate duplicates Z: 11 8.373 1.474 0.367 0.715 1.000 0.600 C 1.082 Z: 25 29.174 2.160 1.036 0.494 0.875 0.542 CB 1.556 25 residues pruned to eliminate duplicates Z: 8 3.918 1.822 0.375 0.340 0.714 0.571 CB 0.985 8 residues pruned to eliminate duplicates Z: 17 28.046 2.142 0.517 0.916 1.000 0.812 CA 1.524 17 residues pruned to eliminate duplicates Z: 10 39.562 2.289 1.294 0.915 1.000 0.667 CB 1.776 Z: 9 2.885 1.478 0.148 0.221 0.750 0.250 CA 1.113 Z: 16 34.183 2.218 0.963 0.878 1.000 0.600 CB 1.472 16 residues pruned to eliminate duplicates Z: 8 6.538 2.031 0.047 0.504 0.857 0.571 CB 1.351 7 residues pruned to eliminate duplicates Z: 15 27.132 2.142 0.894 0.753 0.929 0.643 CA 1.536 15 residues pruned to eliminate duplicates Z: 19 12.659 2.090 0.876 0.446 0.667 0.444 CB 1.207 19 residues pruned to eliminate duplicates Z: 15 26.519 2.066 0.836 0.891 0.929 0.429 CB 1.446 15 residues pruned to eliminate duplicates Z: 44 42.108 2.327 0.991 0.480 0.930 0.419 CB 1.521 44 residues pruned to eliminate duplicates Z: 43 57.126 2.414 1.020 0.567 0.976 0.500 CB 1.735 43 residues pruned to eliminate duplicates Z: 10 9.298 1.939 0.924 0.447 0.778 0.667 CB 1.127 Z: 11 26.637 2.387 1.151 0.610 0.900 0.700 CB 1.642 11 residues pruned to eliminate duplicates Z: 57 54.209 2.343 0.946 0.500 0.911 0.625 CB 1.745 57 residues pruned to eliminate duplicates Z: 30 29.368 2.156 0.877 0.533 0.828 0.552 CB 1.575 30 residues pruned to eliminate duplicates Z: 14 38.513 2.379 1.239 0.890 0.923 0.538 CB 1.563 14 residues pruned to eliminate duplicates Z: 24 33.202 2.252 0.707 0.646 0.957 0.739 CB 1.644 24 residues pruned to eliminate duplicates Z: 28 23.576 2.013 0.740 0.426 0.889 0.481 CB 1.574 28 residues pruned to eliminate duplicates Z: 22 29.160 2.370 1.012 0.459 0.810 0.381 CB 1.720 22 residues pruned to eliminate duplicates Z: 8 6.395 1.802 0.233 0.360 0.857 0.714 CB 1.476 Z: 8 4.724 1.820 0.354 0.253 0.714 0.429 N 1.347 Z: 15 20.807 2.129 0.653 0.444 1.000 0.500 CB 1.674 16 residues pruned to eliminate duplicates Z: 45 34.264 2.201 0.820 0.430 0.886 0.455 CB 1.564 53 residues pruned to eliminate duplicates Z: 54 54.734 2.347 1.019 0.526 0.906 0.604 CB 1.708 54 residues pruned to eliminate duplicates Z: 9 11.021 1.752 0.644 0.602 0.875 0.500 CA 1.402 9 residues pruned to eliminate duplicates Z: 18 38.068 2.327 0.998 0.854 0.882 0.706 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 16.495 1.927 0.729 0.505 0.765 0.471 CB 1.563 18 residues pruned to eliminate duplicates Z: 30 29.908 2.152 0.976 0.477 0.828 0.379 CA 1.615 30 residues pruned to eliminate duplicates Z: 9 5.742 1.856 0.256 0.309 0.750 0.500 CB 1.435 9 residues pruned to eliminate duplicates Z: 8 4.260 1.831 0.030 0.461 0.714 0.429 CB 1.245 Z: 8 7.894 2.191 0.363 0.502 0.571 0.571 CB 1.745 8 residues pruned to eliminate duplicates Z: 16 17.322 2.107 0.780 0.464 0.933 0.600 CB 1.326 16 residues pruned to eliminate duplicates Z: 80 66.600 2.375 1.007 0.499 0.899 0.570 CB 1.751 80 residues pruned to eliminate duplicates Z: 14 13.260 2.058 0.491 0.444 0.846 0.538 CB 1.500 22 residues pruned to eliminate duplicates Z: 15 37.198 2.373 1.003 0.894 0.929 0.500 CB 1.617 15 residues pruned to eliminate duplicates Z: 29 31.090 2.209 0.735 0.571 0.893 0.607 CB 1.603 29 residues pruned to eliminate duplicates Z: 41 38.265 2.391 0.688 0.531 0.950 0.725 CB 1.531 41 residues pruned to eliminate duplicates Z: 13 9.795 1.905 0.915 0.388 0.667 0.583 N 1.310 12 residues pruned to eliminate duplicates Z: 40 30.030 2.077 0.707 0.550 0.846 0.564 CB 1.527 40 residues pruned to eliminate duplicates 6 0.844 1.585 0.323 0.596 1.000 0.800 CB 0.164 ? Z: 42 27.658 2.137 0.805 0.437 0.756 0.512 CB 1.580 42 residues pruned to eliminate duplicates Z: 50 45.813 2.239 0.917 0.548 0.918 0.592 CB 1.585 50 residues pruned to eliminate duplicates Z: 10 7.296 1.424 0.695 0.704 0.889 0.444 CB 0.942 Z: 30 40.280 2.474 1.197 0.556 0.828 0.517 CB 1.575 30 residues pruned to eliminate duplicates Z: 16 19.498 2.177 0.721 0.529 0.867 0.667 CB 1.507 16 residues pruned to eliminate duplicates Z: 14 30.474 2.300 0.759 0.826 0.923 0.538 CB 1.706 14 residues pruned to eliminate duplicates Z: 25 23.542 2.102 0.829 0.507 0.833 0.500 CA 1.490 25 residues pruned to eliminate duplicates Z: 9 12.911 2.137 0.389 0.393 1.000 0.625 CA 1.723 9 residues pruned to eliminate duplicates Z: 6 4.324 1.904 1.110 0.436 0.600 0.400 CA 0.857 6 residues pruned to eliminate duplicates Z: 19 7.232 1.750 0.533 0.308 0.778 0.333 CB 1.010 19 residues pruned to eliminate duplicates Z: 39 41.393 2.382 0.943 0.492 0.868 0.605 CB 1.684 39 residues pruned to eliminate duplicates Z: 48 40.310 2.173 1.030 0.445 0.915 0.574 CB 1.541 48 residues pruned to eliminate duplicates Z: 53 67.028 2.425 1.121 0.544 0.942 0.538 CB 1.837 53 residues pruned to eliminate duplicates Z: 41 48.451 2.373 1.234 0.531 0.925 0.475 CB 1.515 41 residues pruned to eliminate duplicates Z: 10 4.693 1.755 0.465 0.390 0.778 0.556 CB 0.879 5 residues pruned to eliminate duplicates Z: 6 4.901 1.563 0.434 0.547 0.800 0.600 CB 1.168 Z: 6 8.163 1.853 0.449 0.824 1.000 1.000 CB 1.027 Z: 7 2.405 1.653 -0.191 0.383 1.000 0.500 CB 0.832 Z: 13 30.055 2.056 1.165 0.909 0.917 0.833 CB 1.509 12 residues pruned to eliminate duplicates Z: 8 7.942 1.362 0.717 0.806 1.000 0.429 C 0.983 8 residues pruned to eliminate duplicates Z: 10 3.726 1.654 0.515 0.385 0.778 0.333 CB 0.720 Z: 6 10.393 1.641 0.581 0.831 1.000 1.000 CA 1.346 6 residues pruned to eliminate duplicates Z: 7 14.824 1.906 0.952 0.823 0.833 0.500 CB 1.475 7 residues pruned to eliminate duplicates Z: 7 4.600 1.739 0.377 0.353 0.667 0.500 N 1.379 Z: 7 2.618 1.621 0.066 0.372 0.833 0.500 CB 0.850 Z: 7 2.695 1.824 0.204 0.513 0.667 0.667 CB 0.742 Z: 36 42.099 2.271 0.934 0.464 0.943 0.600 CB 1.782 36 residues pruned to eliminate duplicates Z: 11 28.861 2.218 1.007 0.917 1.000 0.900 CB 1.447 11 residues pruned to eliminate duplicates Z: 22 27.760 2.157 1.072 0.520 0.857 0.571 CB 1.551 22 residues pruned to eliminate duplicates Z: 18 26.372 2.184 1.135 0.563 0.765 0.353 CA 1.687 18 residues pruned to eliminate duplicates Z: 8 6.222 1.754 0.708 0.419 0.857 0.429 CB 0.997 Z: 32 36.163 2.281 0.969 0.550 0.903 0.742 CB 1.525 32 residues pruned to eliminate duplicates Z: 61 60.675 2.353 1.024 0.527 0.917 0.550 CB 1.747 61 residues pruned to eliminate duplicates Z: 29 28.156 2.279 0.808 0.447 0.857 0.679 CB 1.591 29 residues pruned to eliminate duplicates Z: 6 13.028 2.046 0.544 0.715 1.000 0.800 CA 1.518 10 residues pruned to eliminate duplicates Z: 60 50.868 2.270 1.070 0.540 0.915 0.441 CB 1.481 60 residues pruned to eliminate duplicates Z: 9 5.726 1.790 0.636 0.357 0.750 0.250 CB 1.076 9 residues pruned to eliminate duplicates Z: 6 6.190 1.914 0.433 0.579 1.000 0.600 CB 0.935 Z: 24 23.258 1.936 0.974 0.417 0.826 0.565 CA 1.676 24 residues pruned to eliminate duplicates Z: 7 9.911 1.944 0.701 0.683 1.000 0.667 CB 1.034 6 residues pruned to eliminate duplicates Z: 19 26.409 2.381 0.841 0.375 0.889 0.667 CB 1.826 19 residues pruned to eliminate duplicates Z: 9 5.863 1.564 0.424 0.404 0.750 0.250 N 1.373 Z: 6 14.789 2.484 0.833 0.507 0.800 0.800 CA 1.804 6 residues pruned to eliminate duplicates Z: 7 3.814 1.817 0.178 0.881 1.000 0.833 CB 0.527 Z: 34 29.236 2.299 0.940 0.462 0.818 0.545 CB 1.449 34 residues pruned to eliminate duplicates Z: 11 9.370 1.810 0.814 0.481 0.800 0.600 CB 1.150 Z: 9 7.651 1.930 0.973 0.618 0.875 0.750 CB 0.726 Z: 6 3.615 1.952 0.100 0.525 0.800 0.600 CB 0.918 Z: 113 66.594 2.265 0.958 0.489 0.884 0.562 CB 1.623 113 residues pruned to eliminate duplicates Z: 17 17.021 2.080 0.680 0.470 0.812 0.562 CA 1.546 17 residues pruned to eliminate duplicates Z: 26 23.507 2.121 0.870 0.400 0.840 0.560 CB 1.568 26 residues pruned to eliminate duplicates Z: 16 37.183 2.369 0.928 0.868 1.000 0.733 CB 1.537 16 residues pruned to eliminate duplicates Z: 32 22.392 2.009 0.721 0.423 0.903 0.516 CB 1.395 32 residues pruned to eliminate duplicates Z: 9 13.049 2.087 0.992 0.591 0.625 0.500 CA 1.627 9 residues pruned to eliminate duplicates Z: 8 6.002 1.835 0.256 0.582 0.857 0.429 CB 1.061 8 residues pruned to eliminate duplicates Z: 7 5.312 1.347 0.716 0.747 0.833 0.667 CB 0.903 7 residues pruned to eliminate duplicates Z: 7 3.023 1.448 0.375 0.478 0.833 0.333 CB 0.761 Z: 95 72.680 2.370 0.943 0.535 0.894 0.574 CB 1.760 95 residues pruned to eliminate duplicates Z: 14 20.095 2.227 1.063 0.875 0.692 0.231 CB 1.274 14 residues pruned to eliminate duplicates Z: 57 61.890 2.408 1.080 0.497 0.929 0.571 CB 1.784 57 residues pruned to eliminate duplicates Z: 45 45.454 2.365 0.850 0.481 0.955 0.614 CB 1.672 45 residues pruned to eliminate duplicates Z: 6 8.115 1.765 0.663 0.758 1.000 1.000 CB 0.983 Z: 98 65.002 2.327 0.898 0.518 0.907 0.598 CB 1.618 98 residues pruned to eliminate duplicates Z: 51 31.982 1.981 0.772 0.477 0.880 0.560 CB 1.498 51 residues pruned to eliminate duplicates Z: 7 18.766 1.986 1.063 0.901 1.000 0.833 CB 1.334 7 residues pruned to eliminate duplicates Z: 14 8.094 2.093 0.373 0.321 0.692 0.462 CB 1.375 14 residues pruned to eliminate duplicates Z: 16 53.314 2.434 1.359 0.839 0.933 0.333 CB 1.919 16 residues pruned to eliminate duplicates Z: 34 20.733 2.049 0.707 0.389 0.909 0.606 CB 1.277 24 residues pruned to eliminate duplicates Z: 10 11.037 1.980 0.600 0.667 0.778 0.556 CB 1.280 10 residues pruned to eliminate duplicates Z: 32 33.824 2.243 0.968 0.508 0.903 0.290 CB 1.512 32 residues pruned to eliminate duplicates Z: 6 13.256 2.216 0.765 0.808 1.000 0.800 N 1.159 Z: 17 13.834 2.222 0.702 0.434 0.875 0.562 CB 1.118 17 residues pruned to eliminate duplicates Z: 18 27.663 2.140 0.890 0.529 0.941 0.588 CB 1.713 18 residues pruned to eliminate duplicates Z: 6 2.222 1.531 -0.033 0.276 0.800 0.400 C 1.081 Z: 37 28.225 2.084 0.849 0.496 0.778 0.583 CA 1.575 37 residues pruned to eliminate duplicates Z: 9 14.097 2.114 0.732 0.558 0.875 0.625 CA 1.471 9 residues pruned to eliminate duplicates Z: 17 18.890 2.276 0.934 0.386 0.812 0.500 CA 1.490 17 residues pruned to eliminate duplicates Z: 6 10.706 1.752 0.627 0.833 0.800 0.600 CA 1.575 6 residues pruned to eliminate duplicates Z: 12 25.757 1.970 0.659 0.924 1.000 1.000 CB 1.669 12 residues pruned to eliminate duplicates Z: 24 29.593 2.193 0.874 0.601 0.913 0.609 CA 1.494 24 residues pruned to eliminate duplicates Z: 15 25.172 2.243 0.467 0.864 1.000 0.857 CA 1.499 15 residues pruned to eliminate duplicates Z: 8 4.232 1.477 0.720 0.303 0.714 0.571 CB 1.098 Z: 24 22.959 2.136 0.897 0.312 0.957 0.435 CB 1.521 24 residues pruned to eliminate duplicates Z: 41 43.544 2.277 0.995 0.526 0.925 0.575 CB 1.598 41 residues pruned to eliminate duplicates Z: 41 20.372 2.066 0.694 0.273 0.800 0.450 CB 1.487 41 residues pruned to eliminate duplicates Z: 46 34.487 2.211 0.798 0.484 0.867 0.489 CB 1.516 46 residues pruned to eliminate duplicates Z: 24 21.756 2.240 0.695 0.412 0.826 0.522 CB 1.586 24 residues pruned to eliminate duplicates Z: 10 9.105 1.947 0.514 0.325 0.778 0.556 N 1.604 10 residues pruned to eliminate duplicates Z: 20 14.143 2.154 0.627 0.435 0.789 0.474 CB 1.254 20 residues pruned to eliminate duplicates Z: 17 27.092 2.186 1.061 0.563 0.938 0.750 CA 1.509 17 residues pruned to eliminate duplicates Z: 20 32.319 2.251 1.166 0.617 0.895 0.737 CB 1.522 20 residues pruned to eliminate duplicates Z: 34 22.205 2.140 0.762 0.398 0.909 0.606 CB 1.256 34 residues pruned to eliminate duplicates Z: 24 28.305 2.205 0.859 0.509 0.870 0.652 CB 1.642 24 residues pruned to eliminate duplicates Z: 9 13.614 2.085 0.464 0.541 1.000 0.750 CA 1.515 Z: 76 49.976 2.230 0.876 0.563 0.867 0.547 CB 1.498 76 residues pruned to eliminate duplicates Z: 25 24.166 2.392 0.763 0.388 0.833 0.583 CB 1.581 25 residues pruned to eliminate duplicates Z: 14 9.507 1.887 0.399 0.252 0.846 0.615 CB 1.569 Z: 54 33.941 2.227 0.783 0.434 0.830 0.585 CB 1.514 54 residues pruned to eliminate duplicates Z: 6 5.440 1.790 0.493 0.423 0.800 0.600 CB 1.233 Z: 16 23.840 2.184 0.834 0.491 0.867 0.667 CB 1.788 16 residues pruned to eliminate duplicates Z: 26 31.632 2.222 0.926 0.548 0.920 0.680 CB 1.534 26 residues pruned to eliminate duplicates Z: 25 15.227 2.019 0.844 0.349 0.708 0.458 CB 1.389 25 residues pruned to eliminate duplicates Z: 22 18.102 2.171 0.704 0.407 0.762 0.524 CB 1.546 22 residues pruned to eliminate duplicates Z: 27 52.501 2.446 1.225 0.665 0.923 0.692 CB 1.759 27 residues pruned to eliminate duplicates Z: 24 28.832 2.160 0.759 0.635 0.913 0.609 CB 1.527 24 residues pruned to eliminate duplicates Z: 6 6.359 1.775 0.409 0.556 0.800 0.800 CB 1.347 6 residues pruned to eliminate duplicates Z: 13 27.694 2.001 0.817 0.915 1.000 0.833 CB 1.554 14 residues pruned to eliminate duplicates Z: 11 2.598 1.619 0.366 0.135 0.500 0.300 N 1.171 Z: 11 9.150 1.965 0.683 0.353 0.600 0.500 CB 1.709 11 residues pruned to eliminate duplicates Z: 7 5.229 1.706 0.225 0.536 1.000 0.667 N 0.986 Z: 19 20.759 2.294 0.818 0.346 0.833 0.778 CB 1.663 19 residues pruned to eliminate duplicates Z: 7 2.859 1.840 0.957 0.495 0.333 0.333 CB 0.977 7 residues pruned to eliminate duplicates Z: 37 17.651 2.061 0.607 0.350 0.806 0.472 CB 1.297 37 residues pruned to eliminate duplicates Z: 8 3.939 1.729 0.529 0.394 0.714 0.429 CB 0.882 8 residues pruned to eliminate duplicates Z: 9 6.570 1.975 0.519 0.328 0.750 0.500 CB 1.247 9 residues pruned to eliminate duplicates Z: 54 39.103 2.237 0.759 0.487 0.906 0.566 CB 1.527 54 residues pruned to eliminate duplicates Z: 21 18.277 2.101 0.453 0.537 0.850 0.650 CB 1.519 21 residues pruned to eliminate duplicates Z: 18 36.462 2.302 0.953 0.716 1.000 0.706 CB 1.619 18 residues pruned to eliminate duplicates Z: 6 3.624 1.470 0.975 0.543 0.800 0.400 CB 0.669 6 residues pruned to eliminate duplicates Z: 10 13.422 2.101 0.300 0.897 0.889 0.889 CA 1.319 10 residues pruned to eliminate duplicates Z: 24 8.267 1.577 0.504 0.303 0.870 0.478 CB 1.041 24 residues pruned to eliminate duplicates Z: 26 18.756 1.975 0.839 0.464 0.840 0.480 CB 1.275 26 residues pruned to eliminate duplicates Z: 30 27.037 2.264 0.768 0.516 0.828 0.586 CB 1.492 30 residues pruned to eliminate duplicates Z: 7 2.469 1.733 0.344 0.209 0.667 0.333 N 0.915 7 residues pruned to eliminate duplicates Z: 6 13.957 2.040 0.743 0.768 1.000 1.000 CA 1.384 8 residues pruned to eliminate duplicates Z: 11 8.672 2.005 0.243 0.399 0.900 0.800 CA 1.360 11 residues pruned to eliminate duplicates Z: 17 44.993 2.338 1.129 0.888 0.938 0.688 CA 1.737 17 residues pruned to eliminate duplicates Z: 18 36.281 2.292 1.076 0.546 0.941 0.588 CA 1.878 18 residues pruned to eliminate duplicates Z: 38 32.376 2.130 1.006 0.485 0.865 0.514 CB 1.461 38 residues pruned to eliminate duplicates Z: 6 9.029 1.786 0.577 0.596 1.000 0.800 CA 1.309 Z: 7 6.238 1.661 0.961 0.537 1.000 0.833 CB 0.754 7 residues pruned to eliminate duplicates Z: 32 19.870 2.033 0.462 0.386 0.871 0.387 CB 1.556 32 residues pruned to eliminate duplicates Z: 8 3.182 1.733 0.251 0.295 0.857 0.286 CB 0.815 Z: 43 40.643 2.270 0.984 0.536 0.905 0.571 CB 1.486 43 residues pruned to eliminate duplicates Z: 34 23.520 2.234 0.661 0.391 0.758 0.576 CB 1.633 34 residues pruned to eliminate duplicates Z: 8 3.126 1.856 -0.037 0.555 0.571 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 6 3.043 1.280 0.696 0.409 0.800 0.400 CA 0.862 Using tripeptides from previous cycle as seeds Z: 14 18.212 2.266 0.425 0.366 1.000 0.538 CB 1.806 14 residues pruned to eliminate duplicates Z: 18 11.840 2.053 0.378 0.278 0.882 0.353 CB 1.479 18 residues pruned to eliminate duplicates Z: 17 18.000 2.140 0.658 0.353 1.000 0.625 CB 1.487 17 residues pruned to eliminate duplicates Z: 15 15.342 2.229 0.421 0.407 0.929 0.500 CB 1.537 15 residues pruned to eliminate duplicates Z: 7 4.203 1.946 0.483 0.242 0.667 0.167 CA 1.201 7 residues pruned to eliminate duplicates Z: 16 15.787 2.232 0.553 0.323 0.933 0.267 CB 1.531 16 residues pruned to eliminate duplicates Z: 7 8.533 2.280 0.191 0.461 0.833 0.333 CB 1.603 7 residues pruned to eliminate duplicates Z: 7 9.807 2.264 0.198 0.454 1.000 0.500 CB 1.548 8 residues pruned to eliminate duplicates Z: 12 28.689 2.102 1.028 0.921 1.000 0.727 CB 1.429 12 residues pruned to eliminate duplicates Z: 45 23.654 2.047 0.591 0.492 0.909 0.568 CB 1.214 71 residues pruned to eliminate duplicates Z: 20 20.577 1.998 0.947 0.643 0.789 0.368 CB 1.344 Z: 12 28.511 2.091 1.104 0.914 1.000 0.636 CB 1.382 13 residues pruned to eliminate duplicates Z: 12 28.954 2.104 1.031 0.923 1.000 0.818 CB 1.436 12 residues pruned to eliminate duplicates Z: 36 24.355 2.010 0.819 0.424 0.914 0.457 CB 1.334 20 residues pruned to eliminate duplicates Z: 14 24.894 2.015 1.167 0.850 0.923 0.692 CB 1.269 14 residues pruned to eliminate duplicates Z: 25 35.604 2.165 0.963 0.589 1.000 0.625 CB 1.570 60 residues pruned to eliminate duplicates Z: 28 33.376 2.125 0.893 0.596 0.926 0.481 CB 1.573 28 residues pruned to eliminate duplicates Z: 17 19.523 2.236 0.657 0.549 0.938 0.625 CB 1.339 17 residues pruned to eliminate duplicates Z: 18 17.497 2.218 0.747 0.500 0.824 0.588 CB 1.330 18 residues pruned to eliminate duplicates Z: 18 15.268 2.129 0.789 0.467 0.824 0.529 CB 1.221 18 residues pruned to eliminate duplicates Z: 16 12.736 1.956 0.636 0.403 0.867 0.600 CB 1.313 16 residues pruned to eliminate duplicates Z: 17 18.811 2.238 0.740 0.515 0.938 0.562 CB 1.269 17 residues pruned to eliminate duplicates Z: 18 15.412 2.193 0.645 0.429 0.824 0.529 CB 1.354 18 residues pruned to eliminate duplicates Z: 19 15.773 2.193 0.580 0.474 0.833 0.556 CB 1.322 19 residues pruned to eliminate duplicates Z: 18 14.561 2.160 0.580 0.488 0.882 0.588 CB 1.186 18 residues pruned to eliminate duplicates Z: 18 16.431 2.205 0.638 0.493 0.882 0.529 CB 1.259 18 residues pruned to eliminate duplicates Z: 19 14.633 2.157 0.615 0.508 0.833 0.500 CB 1.178 19 residues pruned to eliminate duplicates Z: 18 17.681 2.250 0.667 0.503 0.824 0.529 CB 1.384 18 residues pruned to eliminate duplicates Z: 19 13.019 2.204 0.674 0.480 0.778 0.556 CB 1.091 19 residues pruned to eliminate duplicates Z: 10 11.003 2.168 0.612 0.385 0.778 0.556 CA 1.525 10 residues pruned to eliminate duplicates Z: 50 39.274 2.187 0.943 0.463 0.878 0.469 CB 1.562 50 residues pruned to eliminate duplicates Z: 66 46.126 2.299 0.838 0.450 0.877 0.569 CB 1.626 66 residues pruned to eliminate duplicates Z: 40 39.787 2.319 1.029 0.525 0.872 0.462 CB 1.515 40 residues pruned to eliminate duplicates Z: 83 51.787 2.290 0.882 0.467 0.878 0.549 CB 1.563 83 residues pruned to eliminate duplicates Z: 43 38.808 2.292 0.871 0.533 0.881 0.643 CB 1.533 43 residues pruned to eliminate duplicates Z: 41 41.750 2.301 1.010 0.573 0.850 0.575 CB 1.565 41 residues pruned to eliminate duplicates Z: 46 36.785 2.344 0.728 0.470 0.867 0.511 CB 1.611 46 residues pruned to eliminate duplicates Z: 17 33.358 2.339 0.884 0.798 0.938 0.562 CB 1.555 17 residues pruned to eliminate duplicates Z: 18 28.817 2.313 0.851 0.741 0.824 0.471 CB 1.597 18 residues pruned to eliminate duplicates Z: 39 39.675 2.321 0.820 0.539 0.895 0.605 CB 1.640 39 residues pruned to eliminate duplicates Z: 65 43.183 2.299 0.898 0.470 0.844 0.516 CB 1.512 65 residues pruned to eliminate duplicates Z: 53 37.899 2.286 0.861 0.423 0.846 0.538 CB 1.581 53 residues pruned to eliminate duplicates Z: 39 37.439 2.300 0.903 0.558 0.842 0.605 CB 1.558 39 residues pruned to eliminate duplicates Z: 43 41.348 2.219 0.958 0.566 0.929 0.595 CB 1.483 43 residues pruned to eliminate duplicates Z: 37 46.211 2.340 0.953 0.532 0.972 0.583 CB 1.679 37 residues pruned to eliminate duplicates Z: 46 39.241 2.341 0.779 0.488 0.889 0.644 CB 1.599 46 residues pruned to eliminate duplicates Z: 19 28.644 2.298 0.926 0.683 0.833 0.389 CB 1.548 19 residues pruned to eliminate duplicates Z: 86 58.888 2.249 1.062 0.499 0.859 0.482 CB 1.604 86 residues pruned to eliminate duplicates Z: 43 46.953 2.343 1.096 0.521 0.881 0.595 CB 1.640 43 residues pruned to eliminate duplicates Z: 60 47.415 2.344 0.927 0.476 0.864 0.593 CB 1.620 60 residues pruned to eliminate duplicates Z: 37 38.233 2.330 0.867 0.527 0.917 0.528 CB 1.556 37 residues pruned to eliminate duplicates Z: 38 38.999 2.341 1.053 0.526 0.865 0.649 CB 1.504 38 residues pruned to eliminate duplicates Z: 68 51.019 2.319 0.956 0.459 0.910 0.567 CB 1.574 68 residues pruned to eliminate duplicates Z: 38 43.338 2.287 0.898 0.531 1.000 0.595 CB 1.592 38 residues pruned to eliminate duplicates Z: 32 43.255 2.322 0.988 0.562 0.968 0.774 CB 1.638 32 residues pruned to eliminate duplicates Z: 60 46.920 2.281 0.878 0.516 0.915 0.525 CB 1.533 60 residues pruned to eliminate duplicates Z: 55 41.634 2.222 0.847 0.454 0.926 0.463 CB 1.563 55 residues pruned to eliminate duplicates Z: 69 40.142 2.221 0.831 0.486 0.824 0.485 CB 1.475 69 residues pruned to eliminate duplicates Z: 55 50.143 2.358 0.968 0.490 0.889 0.630 CB 1.672 55 residues pruned to eliminate duplicates Z: 74 41.576 2.263 0.907 0.423 0.808 0.507 CB 1.511 74 residues pruned to eliminate duplicates Z: 45 42.426 2.256 1.014 0.490 0.909 0.591 CB 1.565 45 residues pruned to eliminate duplicates Z: 85 55.135 2.274 0.960 0.503 0.869 0.500 CB 1.548 85 residues pruned to eliminate duplicates Z: 84 58.758 2.297 0.990 0.516 0.867 0.518 CB 1.601 84 residues pruned to eliminate duplicates Z: 38 46.742 2.294 1.036 0.530 1.000 0.486 CB 1.598 38 residues pruned to eliminate duplicates Z: 71 50.481 2.304 0.868 0.503 0.871 0.557 CB 1.604 71 residues pruned to eliminate duplicates Z: 43 42.034 2.300 0.861 0.464 0.929 0.524 CB 1.694 43 residues pruned to eliminate duplicates Z: 82 53.307 2.243 0.921 0.489 0.901 0.568 CB 1.542 82 residues pruned to eliminate duplicates Z: 99 47.268 2.254 0.829 0.404 0.847 0.429 CB 1.513 99 residues pruned to eliminate duplicates Z: 46 49.215 2.341 1.087 0.543 0.911 0.578 CB 1.580 46 residues pruned to eliminate duplicates Z: 70 49.228 2.242 0.926 0.447 0.870 0.565 CB 1.666 70 residues pruned to eliminate duplicates Z: 45 51.703 2.372 1.133 0.533 0.932 0.545 CB 1.601 45 residues pruned to eliminate duplicates Z: 47 41.588 2.342 0.926 0.512 0.870 0.565 CB 1.545 47 residues pruned to eliminate duplicates Z: 58 51.438 2.326 0.969 0.549 0.895 0.561 CB 1.584 58 residues pruned to eliminate duplicates Z: 50 35.963 2.280 0.837 0.384 0.837 0.469 CA 1.659 50 residues pruned to eliminate duplicates Z: 60 50.801 2.343 0.916 0.501 0.915 0.492 CB 1.608 60 residues pruned to eliminate duplicates Z: 70 49.202 2.316 0.898 0.494 0.855 0.522 CB 1.586 70 residues pruned to eliminate duplicates Z: 26 33.304 2.225 1.024 0.575 0.880 0.520 CB 1.564 26 residues pruned to eliminate duplicates Z: 26 32.266 2.242 0.847 0.551 0.920 0.440 CA 1.611 26 residues pruned to eliminate duplicates Z: 25 35.349 2.251 1.019 0.560 0.917 0.458 CB 1.634 25 residues pruned to eliminate duplicates Z: 25 29.367 2.240 1.051 0.550 0.792 0.417 CB 1.570 25 residues pruned to eliminate duplicates Z: 63 53.495 2.310 0.944 0.519 0.919 0.581 CB 1.615 63 residues pruned to eliminate duplicates Z: 60 52.221 2.308 1.050 0.532 0.898 0.593 CB 1.550 60 residues pruned to eliminate duplicates Z: 29 26.366 2.131 0.839 0.512 0.893 0.429 CB 1.406 29 residues pruned to eliminate duplicates Z: 83 59.403 2.325 0.994 0.491 0.890 0.451 CB 1.604 83 residues pruned to eliminate duplicates Z: 26 28.299 2.204 0.764 0.527 0.920 0.560 CA 1.541 26 residues pruned to eliminate duplicates Z: 27 30.236 2.208 0.870 0.523 0.923 0.538 CB 1.521 27 residues pruned to eliminate duplicates Z: 58 54.676 2.328 1.024 0.541 0.930 0.526 CB 1.588 58 residues pruned to eliminate duplicates Z: 28 26.161 2.107 0.746 0.499 0.889 0.556 CB 1.541 28 residues pruned to eliminate duplicates Z: 84 59.579 2.309 0.928 0.498 0.928 0.530 CB 1.588 84 residues pruned to eliminate duplicates Z: 29 28.565 2.199 0.806 0.507 0.893 0.571 CB 1.512 29 residues pruned to eliminate duplicates Z: 83 56.405 2.318 0.929 0.500 0.878 0.598 CB 1.586 83 residues pruned to eliminate duplicates Z: 23 19.650 2.043 0.715 0.449 0.909 0.591 CB 1.386 23 residues pruned to eliminate duplicates Z: 94 67.873 2.281 0.962 0.495 0.914 0.591 CA 1.729 94 residues pruned to eliminate duplicates Z: 38 29.817 2.125 0.913 0.466 0.919 0.622 CB 1.358 38 residues pruned to eliminate duplicates Z: 123 65.649 2.294 0.901 0.494 0.893 0.607 CB 1.536 123 residues pruned to eliminate duplicates Z: 101 68.081 2.300 0.955 0.525 0.910 0.520 CB 1.623 101 residues pruned to eliminate duplicates Z: 24 41.697 2.371 1.000 0.608 0.957 0.652 CB 1.730 24 residues pruned to eliminate duplicates Z: 29 36.315 2.318 1.100 0.525 0.857 0.607 CB 1.606 29 residues pruned to eliminate duplicates Z: 40 42.449 2.330 0.854 0.525 0.923 0.667 CB 1.663 40 residues pruned to eliminate duplicates Z: 110 69.365 2.319 0.952 0.509 0.908 0.633 CB 1.601 110 residues pruned to eliminate duplicates Z: 65 55.060 2.285 0.979 0.516 0.906 0.641 CB 1.652 65 residues pruned to eliminate duplicates Z: 23 44.562 2.426 0.998 0.648 1.000 0.727 CB 1.708 23 residues pruned to eliminate duplicates Z: 106 71.048 2.322 1.020 0.524 0.924 0.629 CB 1.563 106 residues pruned to eliminate duplicates Z: 31 35.746 2.295 0.961 0.509 0.900 0.767 CB 1.596 31 residues pruned to eliminate duplicates Z: 30 35.368 2.323 0.968 0.535 0.862 0.621 CB 1.611 30 residues pruned to eliminate duplicates Z: 38 50.963 2.371 1.017 0.588 0.919 0.622 CB 1.753 38 residues pruned to eliminate duplicates Z: 26 36.958 2.329 1.075 0.600 0.880 0.600 CB 1.580 26 residues pruned to eliminate duplicates Z: 106 71.435 2.303 0.963 0.522 0.924 0.552 CB 1.633 106 residues pruned to eliminate duplicates Z: 30 35.624 2.362 0.926 0.524 0.897 0.621 CB 1.585 30 residues pruned to eliminate duplicates Z: 24 43.013 2.351 1.096 0.647 0.957 0.739 CB 1.658 24 residues pruned to eliminate duplicates Z: 57 45.728 2.193 0.983 0.530 0.893 0.607 CB 1.528 57 residues pruned to eliminate duplicates Z: 37 53.166 2.427 0.999 0.600 0.889 0.556 CB 1.867 37 residues pruned to eliminate duplicates Z: 64 53.986 2.311 0.980 0.515 0.889 0.571 CB 1.648 64 residues pruned to eliminate duplicates Z: 110 70.567 2.268 1.021 0.510 0.899 0.495 CB 1.625 110 residues pruned to eliminate duplicates Z: 38 46.269 2.390 0.903 0.588 0.865 0.595 CB 1.778 38 residues pruned to eliminate duplicates Z: 91 57.600 2.305 0.939 0.507 0.867 0.511 CB 1.558 91 residues pruned to eliminate duplicates Z: 57 44.706 2.244 0.928 0.529 0.875 0.607 CB 1.534 57 residues pruned to eliminate duplicates Z: 39 56.444 2.406 1.066 0.566 0.947 0.658 CB 1.823 39 residues pruned to eliminate duplicates Z: 41 45.186 2.319 0.834 0.570 0.900 0.625 CB 1.744 41 residues pruned to eliminate duplicates Z: 11 14.490 1.966 0.803 0.380 0.900 0.400 CB 1.633 11 residues pruned to eliminate duplicates Z: 16 23.356 2.318 0.742 0.475 0.867 0.533 CA 1.766 16 residues pruned to eliminate duplicates Z: 16 28.852 2.390 0.796 0.611 0.867 0.467 CA 1.802 16 residues pruned to eliminate duplicates Z: 39 47.409 2.372 0.889 0.587 0.895 0.579 CB 1.766 39 residues pruned to eliminate duplicates Z: 19 23.791 2.282 0.851 0.466 0.833 0.500 CB 1.649 19 residues pruned to eliminate duplicates Z: 16 26.919 2.395 0.885 0.488 0.867 0.533 CA 1.798 16 residues pruned to eliminate duplicates Z: 19 29.605 2.307 1.056 0.523 0.833 0.444 CB 1.725 19 residues pruned to eliminate duplicates Z: 39 48.188 2.340 0.998 0.562 0.921 0.632 CB 1.710 39 residues pruned to eliminate duplicates Z: 19 26.306 2.288 0.878 0.438 0.889 0.389 CA 1.731 19 residues pruned to eliminate duplicates Z: 18 26.258 2.223 1.175 0.495 0.824 0.471 CB 1.607 18 residues pruned to eliminate duplicates Z: 11 26.518 2.350 1.096 0.608 0.900 0.600 CA 1.707 11 residues pruned to eliminate duplicates Z: 42 50.956 2.286 1.062 0.596 0.878 0.634 CA 1.755 42 residues pruned to eliminate duplicates Z: 24 26.033 2.233 0.852 0.488 0.783 0.304 CB 1.698 24 residues pruned to eliminate duplicates Z: 51 42.718 2.265 1.027 0.436 0.880 0.380 CA 1.597 51 residues pruned to eliminate duplicates Z: 34 32.348 2.300 0.924 0.454 0.758 0.455 CA 1.761 34 residues pruned to eliminate duplicates Z: 10 8.712 2.174 0.664 0.335 0.667 0.444 CB 1.442 10 residues pruned to eliminate duplicates Z: 28 36.455 2.267 0.902 0.479 0.963 0.556 CA 1.725 28 residues pruned to eliminate duplicates Z: 24 17.349 2.177 0.498 0.382 0.870 0.478 CB 1.447 24 residues pruned to eliminate duplicates Z: 12 14.131 2.099 0.967 0.397 0.818 0.455 CB 1.407 12 residues pruned to eliminate duplicates Z: 11 15.475 2.166 0.605 0.421 1.000 0.600 CB 1.527 11 residues pruned to eliminate duplicates Z: 13 15.540 1.954 0.988 0.340 1.000 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 15 21.514 2.297 0.631 0.402 0.929 0.714 CA 1.833 15 residues pruned to eliminate duplicates Z: 23 22.830 2.283 0.888 0.360 0.864 0.455 CB 1.521 23 residues pruned to eliminate duplicates Z: 37 29.182 2.328 0.731 0.428 0.806 0.556 CB 1.615 37 residues pruned to eliminate duplicates Z: 18 16.504 2.170 0.642 0.371 0.765 0.353 CB 1.686 18 residues pruned to eliminate duplicates Z: 16 18.741 2.322 0.670 0.449 0.800 0.533 CB 1.643 16 residues pruned to eliminate duplicates Z: 22 17.973 2.291 0.539 0.368 0.857 0.476 CB 1.495 22 residues pruned to eliminate duplicates Z: 44 41.794 2.318 0.900 0.557 0.837 0.628 CB 1.636 44 residues pruned to eliminate duplicates Z: 18 18.391 2.258 0.668 0.426 0.824 0.529 CB 1.553 18 residues pruned to eliminate duplicates Z: 18 18.443 2.292 0.683 0.418 0.765 0.412 CB 1.651 18 residues pruned to eliminate duplicates Z: 45 37.852 2.319 0.908 0.527 0.841 0.591 CB 1.494 45 residues pruned to eliminate duplicates Z: 31 28.638 2.319 0.770 0.499 0.833 0.567 CB 1.530 31 residues pruned to eliminate duplicates Z: 6 19.728 2.605 1.023 0.591 0.800 0.600 CA 1.917 6 residues pruned to eliminate duplicates Z: 19 14.153 2.191 0.503 0.335 0.722 0.444 CB 1.680 19 residues pruned to eliminate duplicates Z: 22 17.196 2.083 0.659 0.367 0.810 0.381 CB 1.547 22 residues pruned to eliminate duplicates Z: 8 12.189 2.365 1.133 0.404 0.857 0.571 CB 1.178 8 residues pruned to eliminate duplicates Z: 48 36.625 2.278 0.904 0.484 0.851 0.553 CB 1.471 48 residues pruned to eliminate duplicates Z: 14 14.938 2.291 0.680 0.481 0.692 0.385 CB 1.585 14 residues pruned to eliminate duplicates Z: 12 21.576 2.347 0.945 0.567 0.909 0.545 CA 1.469 12 residues pruned to eliminate duplicates Z: 16 19.826 2.370 0.751 0.473 0.800 0.600 CA 1.584 16 residues pruned to eliminate duplicates Z: 45 38.000 2.380 0.756 0.517 0.841 0.659 CB 1.604 45 residues pruned to eliminate duplicates Z: 19 15.244 2.281 0.532 0.409 0.722 0.389 CB 1.566 19 residues pruned to eliminate duplicates Z: 10 25.020 2.466 0.694 0.717 1.000 0.667 CA 1.640 10 residues pruned to eliminate duplicates Z: 22 21.418 2.060 0.677 0.470 0.952 0.476 CB 1.464 22 residues pruned to eliminate duplicates Z: 61 44.786 2.337 0.721 0.529 0.867 0.683 CB 1.611 61 residues pruned to eliminate duplicates Z: 39 41.865 2.401 0.887 0.467 0.974 0.684 CB 1.592 39 residues pruned to eliminate duplicates Z: 40 43.860 2.388 0.898 0.538 0.897 0.667 CB 1.663 40 residues pruned to eliminate duplicates Z: 43 42.781 2.379 0.789 0.502 0.905 0.786 CB 1.710 43 residues pruned to eliminate duplicates Z: 31 36.266 2.314 0.840 0.587 0.867 0.600 CB 1.651 31 residues pruned to eliminate duplicates Z: 42 37.413 2.339 0.783 0.542 0.854 0.610 CB 1.574 42 residues pruned to eliminate duplicates Z: 49 34.736 2.339 0.734 0.437 0.812 0.604 CB 1.624 49 residues pruned to eliminate duplicates Z: 45 36.568 2.336 0.771 0.500 0.864 0.591 CB 1.542 45 residues pruned to eliminate duplicates Z: 30 32.132 2.386 0.664 0.473 0.931 0.690 CB 1.659 30 residues pruned to eliminate duplicates Z: 42 38.758 2.336 0.868 0.527 0.902 0.561 CB 1.498 42 residues pruned to eliminate duplicates Z: 43 37.411 2.302 0.824 0.478 0.881 0.452 CB 1.595 43 residues pruned to eliminate duplicates Z: 33 31.257 2.275 0.881 0.447 0.906 0.594 CB 1.505 33 residues pruned to eliminate duplicates Z: 31 38.218 2.368 0.940 0.521 0.967 0.600 CB 1.539 31 residues pruned to eliminate duplicates Z: 47 45.428 2.328 0.888 0.512 0.891 0.696 CB 1.689 47 residues pruned to eliminate duplicates Z: 32 36.756 2.356 0.904 0.512 0.935 0.677 CB 1.555 32 residues pruned to eliminate duplicates Z: 17 21.811 2.252 0.950 0.550 0.875 0.625 CB 1.351 17 residues pruned to eliminate duplicates Z: 28 37.489 2.437 1.019 0.515 0.889 0.630 CB 1.625 28 residues pruned to eliminate duplicates Z: 18 24.337 2.219 0.859 0.575 0.882 0.294 CB 1.509 18 residues pruned to eliminate duplicates Z: 41 44.484 2.373 0.969 0.497 0.875 0.450 CB 1.725 41 residues pruned to eliminate duplicates Z: 45 39.717 2.298 0.987 0.508 0.841 0.523 CB 1.548 45 residues pruned to eliminate duplicates Z: 42 30.286 2.232 0.858 0.387 0.854 0.463 CB 1.506 42 residues pruned to eliminate duplicates Z: 17 22.314 2.370 0.761 0.347 0.875 0.500 CB 1.804 17 residues pruned to eliminate duplicates Z: 21 20.100 2.193 0.793 0.374 0.800 0.400 CB 1.635 21 residues pruned to eliminate duplicates Z: 29 24.259 2.215 0.650 0.386 0.929 0.500 CB 1.524 29 residues pruned to eliminate duplicates Z: 56 36.769 2.284 0.630 0.401 0.909 0.545 CB 1.627 56 residues pruned to eliminate duplicates Z: 44 42.607 2.346 0.934 0.487 0.907 0.465 CB 1.599 44 residues pruned to eliminate duplicates Z: 27 32.171 2.301 0.884 0.445 0.923 0.615 CB 1.669 27 residues pruned to eliminate duplicates Z: 40 39.800 2.362 0.980 0.467 0.872 0.513 CB 1.616 40 residues pruned to eliminate duplicates Z: 38 34.527 2.347 0.684 0.470 0.865 0.676 CA 1.712 38 residues pruned to eliminate duplicates Z: 32 31.105 2.351 0.877 0.466 0.839 0.452 CB 1.562 32 residues pruned to eliminate duplicates Z: 26 35.812 2.435 0.955 0.421 0.880 0.640 CB 1.857 26 residues pruned to eliminate duplicates Z: 47 37.221 2.265 0.892 0.419 0.870 0.435 CB 1.602 47 residues pruned to eliminate duplicates Z: 18 18.558 2.329 0.771 0.318 0.824 0.294 CB 1.620 18 residues pruned to eliminate duplicates Z: 39 40.551 2.378 0.784 0.449 0.921 0.605 CA 1.774 39 residues pruned to eliminate duplicates Z: 20 18.585 2.076 0.937 0.392 0.842 0.421 CB 1.411 21 residues pruned to eliminate duplicates Z: 6 5.514 1.483 0.840 0.293 1.000 0.600 CA 1.140 6 residues pruned to eliminate duplicates Z: 37 33.971 2.309 0.835 0.464 0.889 0.528 CB 1.559 37 residues pruned to eliminate duplicates Z: 18 17.283 2.185 0.859 0.444 0.765 0.529 CB 1.429 18 residues pruned to eliminate duplicates Z: 22 13.914 2.083 0.506 0.439 0.810 0.429 CB 1.273 21 residues pruned to eliminate duplicates Z: 7 3.702 1.544 0.406 0.428 1.000 0.833 CA 0.750 7 residues pruned to eliminate duplicates Z: 18 18.269 2.159 0.779 0.483 0.882 0.529 CB 1.330 18 residues pruned to eliminate duplicates Z: 6 2.051 1.618 0.369 0.277 1.000 0.200 CB 0.533 6 residues pruned to eliminate duplicates Z: 11 17.219 2.325 0.638 0.469 0.900 0.700 CB 1.640 12 residues pruned to eliminate duplicates 6 1.586 1.186 0.510 0.291 0.800 0.200 N 0.626 ? Z: 6 2.954 1.707 0.211 0.269 0.800 0.200 CA 1.039 6 residues pruned to eliminate duplicates Z: 47 33.698 2.215 0.812 0.461 0.848 0.478 CB 1.519 64 residues pruned to eliminate duplicates Z: 35 23.539 2.170 0.841 0.387 0.735 0.441 CB 1.549 41 residues pruned to eliminate duplicates Z: 40 28.047 2.194 0.850 0.462 0.821 0.590 CB 1.401 40 residues pruned to eliminate duplicates Z: 36 35.541 2.321 0.919 0.473 0.886 0.486 CB 1.565 36 residues pruned to eliminate duplicates Z: 7 5.345 1.664 0.940 0.390 0.667 0.500 CB 1.140 7 residues pruned to eliminate duplicates Z: 27 23.897 2.202 0.827 0.385 0.808 0.538 CB 1.630 27 residues pruned to eliminate duplicates Z: 34 30.201 2.227 1.006 0.362 0.848 0.515 CB 1.609 34 residues pruned to eliminate duplicates Z: 31 26.719 2.298 0.856 0.399 0.833 0.433 CB 1.527 31 residues pruned to eliminate duplicates Z: 27 26.325 2.160 1.054 0.408 0.808 0.538 CB 1.586 27 residues pruned to eliminate duplicates Z: 32 29.787 2.292 1.106 0.358 0.871 0.484 CB 1.483 32 residues pruned to eliminate duplicates Z: 22 26.830 2.322 0.879 0.426 0.857 0.571 CB 1.691 22 residues pruned to eliminate duplicates Z: 89 49.949 2.244 0.782 0.447 0.898 0.443 CB 1.566 89 residues pruned to eliminate duplicates Z: 52 31.035 2.182 0.804 0.419 0.863 0.569 CB 1.392 52 residues pruned to eliminate duplicates Z: 58 40.909 2.239 0.927 0.413 0.842 0.561 CB 1.633 216 residues pruned to eliminate duplicates Z: 31 26.543 2.143 0.982 0.358 0.867 0.567 CB 1.534 Z: 6 3.513 1.534 0.576 0.338 0.800 0.400 CB 0.969 6 residues pruned to eliminate duplicates Z: 40 35.237 2.274 0.908 0.497 0.846 0.590 CB 1.541 31 residues pruned to eliminate duplicates Z: 6 3.279 1.848 1.056 0.202 0.600 0.600 N 0.917 Z: 19 34.321 2.260 0.981 0.718 0.944 0.722 CA 1.572 Z: 15 43.825 2.480 0.868 0.875 1.000 0.786 CA 1.838 16 residues pruned to eliminate duplicates Z: 15 39.935 2.456 0.799 0.869 1.000 0.786 CA 1.765 15 residues pruned to eliminate duplicates Z: 58 50.225 2.372 0.869 0.483 0.895 0.614 CB 1.706 40 residues pruned to eliminate duplicates Z: 15 38.664 2.413 0.849 0.854 1.000 0.643 CA 1.711 15 residues pruned to eliminate duplicates Z: 46 44.261 2.420 0.940 0.435 0.867 0.511 CB 1.734 44 residues pruned to eliminate duplicates Z: 16 38.249 2.272 1.135 0.861 0.867 0.667 CA 1.726 16 residues pruned to eliminate duplicates Z: 72 48.253 2.307 0.868 0.449 0.831 0.592 CB 1.686 72 residues pruned to eliminate duplicates Z: 63 60.067 2.360 1.008 0.543 0.919 0.629 CB 1.678 68 residues pruned to eliminate duplicates Z: 16 44.399 2.381 0.952 0.874 1.000 0.800 CA 1.796 16 residues pruned to eliminate duplicates Z: 60 55.803 2.402 1.004 0.496 0.898 0.576 CB 1.686 63 residues pruned to eliminate duplicates Z: 15 44.884 2.450 1.016 0.867 1.000 0.786 CA 1.776 15 residues pruned to eliminate duplicates Z: 82 48.044 2.316 0.851 0.405 0.852 0.506 CB 1.616 82 residues pruned to eliminate duplicates Z: 67 44.619 2.293 0.822 0.466 0.818 0.515 CB 1.664 43 residues pruned to eliminate duplicates Z: 17 46.582 2.290 1.139 0.865 1.000 0.750 CA 1.741 17 residues pruned to eliminate duplicates Z: 84 63.372 2.337 0.938 0.512 0.904 0.614 CB 1.680 84 residues pruned to eliminate duplicates Z: 20 40.657 2.252 1.203 0.748 0.895 0.632 CB 1.684 20 residues pruned to eliminate duplicates Z: 64 46.949 2.355 0.856 0.470 0.841 0.508 CB 1.658 64 residues pruned to eliminate duplicates Z: 67 48.760 2.255 0.826 0.449 0.909 0.500 CB 1.689 67 residues pruned to eliminate duplicates Z: 73 55.123 2.317 0.941 0.500 0.861 0.569 CB 1.678 73 residues pruned to eliminate duplicates Z: 40 50.792 2.440 1.103 0.504 0.897 0.564 CB 1.760 40 residues pruned to eliminate duplicates Z: 87 58.963 2.292 0.952 0.470 0.872 0.535 CB 1.680 87 residues pruned to eliminate duplicates Z: 46 42.213 2.394 0.947 0.470 0.844 0.511 CB 1.648 46 residues pruned to eliminate duplicates Z: 60 50.842 2.349 0.939 0.463 0.898 0.559 CB 1.680 60 residues pruned to eliminate duplicates Z: 68 53.149 2.282 0.875 0.487 0.940 0.552 CB 1.635 68 residues pruned to eliminate duplicates Z: 64 52.821 2.316 0.956 0.478 0.873 0.571 CB 1.722 64 residues pruned to eliminate duplicates Z: 46 44.290 2.358 0.904 0.447 0.911 0.533 CB 1.706 46 residues pruned to eliminate duplicates Z: 64 45.586 2.320 0.903 0.419 0.841 0.413 CB 1.683 64 residues pruned to eliminate duplicates Z: 38 49.210 2.381 0.921 0.531 0.973 0.541 CB 1.763 38 residues pruned to eliminate duplicates Z: 91 56.981 2.286 0.887 0.463 0.889 0.489 CB 1.626 91 residues pruned to eliminate duplicates Z: 45 46.803 2.404 1.086 0.490 0.841 0.477 CB 1.691 45 residues pruned to eliminate duplicates Z: 47 40.011 2.184 0.890 0.455 0.957 0.348 CB 1.565 47 residues pruned to eliminate duplicates Z: 40 33.005 2.197 0.913 0.431 0.923 0.487 CB 1.464 40 residues pruned to eliminate duplicates Z: 46 38.511 2.237 0.848 0.467 0.933 0.467 CB 1.539 46 residues pruned to eliminate duplicates Z: 71 52.491 2.295 0.960 0.478 0.900 0.543 CB 1.584 71 residues pruned to eliminate duplicates Z: 88 61.773 2.325 0.961 0.500 0.885 0.529 CB 1.640 88 residues pruned to eliminate duplicates Z: 24 27.653 2.201 0.751 0.519 0.913 0.435 CA 1.609 24 residues pruned to eliminate duplicates Z: 68 53.737 2.317 1.005 0.477 0.866 0.522 CB 1.670 68 residues pruned to eliminate duplicates Z: 74 50.867 2.183 0.910 0.473 0.932 0.411 CB 1.575 48 residues pruned to eliminate duplicates Z: 10 19.798 2.380 1.221 0.638 0.667 0.333 CB 1.646 10 residues pruned to eliminate duplicates Z: 60 52.251 2.343 0.876 0.503 0.898 0.475 CB 1.718 60 residues pruned to eliminate duplicates Z: 83 67.116 2.345 0.980 0.502 0.939 0.585 CB 1.696 83 residues pruned to eliminate duplicates Z: 67 58.349 2.321 0.931 0.523 0.939 0.530 CB 1.668 67 residues pruned to eliminate duplicates Z: 27 29.765 2.091 0.913 0.547 0.885 0.577 CB 1.576 27 residues pruned to eliminate duplicates Z: 101 63.142 2.237 0.909 0.524 0.900 0.500 CB 1.605 95 residues pruned to eliminate duplicates Z: 7 3.172 1.809 0.624 0.287 0.667 0.500 CB 0.840 7 residues pruned to eliminate duplicates Z: 86 67.754 2.300 1.066 0.492 0.929 0.541 CB 1.678 86 residues pruned to eliminate duplicates Z: 107 68.735 2.264 0.928 0.527 0.887 0.500 CB 1.680 107 residues pruned to eliminate duplicates Z: 25 27.644 2.217 0.715 0.517 0.917 0.542 CA 1.592 25 residues pruned to eliminate duplicates Z: 42 43.547 2.303 0.982 0.482 0.902 0.561 CB 1.681 42 residues pruned to eliminate duplicates Z: 59 63.934 2.339 1.089 0.564 0.948 0.569 CB 1.703 59 residues pruned to eliminate duplicates Z: 33 29.547 2.007 0.825 0.521 0.906 0.406 CA 1.542 33 residues pruned to eliminate duplicates Z: 64 60.477 2.346 1.046 0.504 0.921 0.524 CB 1.718 64 residues pruned to eliminate duplicates Z: 65 62.904 2.335 1.100 0.528 0.922 0.484 CB 1.691 65 residues pruned to eliminate duplicates Z: 61 60.221 2.352 1.089 0.504 0.933 0.550 CB 1.688 61 residues pruned to eliminate duplicates Z: 65 59.162 2.373 0.909 0.518 0.938 0.531 CB 1.710 65 residues pruned to eliminate duplicates Z: 70 56.842 2.292 1.056 0.503 0.870 0.551 CB 1.665 70 residues pruned to eliminate duplicates Z: 62 55.574 2.297 1.006 0.537 0.918 0.525 CB 1.623 62 residues pruned to eliminate duplicates Z: 73 48.937 2.197 1.014 0.448 0.847 0.417 CB 1.623 73 residues pruned to eliminate duplicates Z: 51 43.484 2.173 0.914 0.570 0.900 0.520 CB 1.536 51 residues pruned to eliminate duplicates Z: 92 69.791 2.258 0.968 0.545 0.956 0.593 CB 1.648 101 residues pruned to eliminate duplicates Z: 19 26.280 2.126 0.803 0.790 0.889 0.667 CA 1.409 19 residues pruned to eliminate duplicates Z: 61 41.964 2.227 0.804 0.517 0.867 0.517 CB 1.530 61 residues pruned to eliminate duplicates Z: 28 29.215 2.081 0.737 0.566 0.926 0.667 CB 1.576 28 residues pruned to eliminate duplicates Z: 23 30.181 2.228 0.777 0.618 0.909 0.500 CB 1.600 23 residues pruned to eliminate duplicates Z: 30 24.036 2.128 0.556 0.518 0.862 0.586 CB 1.537 30 residues pruned to eliminate duplicates Z: 30 25.387 2.104 0.709 0.497 0.862 0.517 CB 1.525 30 residues pruned to eliminate duplicates Z: 30 28.667 2.157 0.703 0.538 0.931 0.655 CB 1.500 30 residues pruned to eliminate duplicates Z: 23 35.398 2.181 0.841 0.664 0.955 0.545 CA 1.690 23 residues pruned to eliminate duplicates Z: 129 70.460 2.224 0.959 0.509 0.891 0.484 CB 1.591 129 residues pruned to eliminate duplicates Z: 88 60.953 2.243 1.012 0.518 0.885 0.529 CB 1.607 88 residues pruned to eliminate duplicates Z: 28 30.010 2.094 0.754 0.541 0.926 0.556 CB 1.633 28 residues pruned to eliminate duplicates Z: 25 27.425 2.161 0.691 0.606 0.958 0.750 CB 1.445 25 residues pruned to eliminate duplicates Z: 31 28.738 2.012 0.776 0.510 0.867 0.533 CA 1.678 31 residues pruned to eliminate duplicates Z: 90 63.333 2.274 0.952 0.516 0.899 0.584 CB 1.657 90 residues pruned to eliminate duplicates Z: 24 32.686 2.181 0.866 0.643 0.870 0.609 CA 1.685 24 residues pruned to eliminate duplicates Z: 25 32.168 2.122 0.725 0.655 0.958 0.625 CA 1.621 25 residues pruned to eliminate duplicates Z: 32 29.486 2.085 0.864 0.538 0.871 0.548 CB 1.508 32 residues pruned to eliminate duplicates Z: 112 66.556 2.288 0.885 0.497 0.910 0.541 CB 1.614 112 residues pruned to eliminate duplicates Z: 105 68.061 2.298 1.003 0.513 0.894 0.577 CB 1.600 105 residues pruned to eliminate duplicates Z: 91 64.352 2.274 0.945 0.523 0.889 0.567 CB 1.687 91 residues pruned to eliminate duplicates Z: 25 33.096 2.154 0.858 0.626 0.917 0.583 CB 1.635 25 residues pruned to eliminate duplicates Z: 43 28.870 2.098 0.699 0.559 0.857 0.595 CB 1.376 40 residues pruned to eliminate duplicates Z: 7 3.814 1.722 0.390 0.235 0.667 0.333 N 1.328 7 residues pruned to eliminate duplicates Z: 19 17.098 2.041 0.577 0.458 0.833 0.389 CB 1.569 170 residues pruned to eliminate duplicates Z: 7 6.192 1.707 0.810 0.412 0.833 0.500 CB 1.077 Z: 6 8.203 1.650 0.640 0.440 1.000 0.800 CA 1.443 5 residues pruned to eliminate duplicates Z: 6 7.975 1.660 0.907 0.398 1.000 0.600 CA 1.255 5 residues pruned to eliminate duplicates Z: 7 7.573 1.453 1.173 0.376 1.000 0.333 N 1.118 6 residues pruned to eliminate duplicates Z: 6 7.299 1.832 0.896 0.644 0.800 0.200 CB 1.027 4 residues pruned to eliminate duplicates Z: 6 6.431 1.356 0.496 0.796 1.000 0.800 O 1.094 Z: 7 8.378 2.158 0.367 0.423 0.833 0.667 CA 1.507 3 residues pruned to eliminate duplicates Z: 6 7.872 2.246 0.313 0.331 1.000 0.800 CA 1.436 6 residues pruned to eliminate duplicates Z: 14 14.352 1.899 0.643 0.640 0.846 0.385 CA 1.323 24 residues pruned to eliminate duplicates Z: 26 21.717 2.110 0.891 0.416 0.800 0.520 CB 1.485 12 residues pruned to eliminate duplicates Z: 7 9.720 2.222 0.708 0.242 1.000 0.500 CA 1.410 7 residues pruned to eliminate duplicates Z: 50 41.714 2.194 0.800 0.556 0.959 0.653 CB 1.490 76 residues pruned to eliminate duplicates Z: 11 20.174 2.216 0.906 0.572 0.900 0.700 CA 1.565 Z: 6 2.533 1.520 0.716 0.387 0.800 0.400 N 0.612 6 residues pruned to eliminate duplicates Z: 51 36.611 2.132 0.875 0.561 0.900 0.560 CB 1.356 62 residues pruned to eliminate duplicates Z: 71 41.868 2.207 0.738 0.507 0.843 0.500 CB 1.537 81 residues pruned to eliminate duplicates Z: 36 14.899 2.018 0.584 0.313 0.800 0.400 CB 1.212 36 residues pruned to eliminate duplicates Z: 20 8.521 1.881 0.448 0.319 0.789 0.526 CB 1.110 Z: 7 2.704 1.914 0.214 0.484 0.500 0.167 CB 0.966 Z: 12 27.772 2.290 0.829 0.753 0.909 0.636 CB 1.755 Z: 12 33.080 2.313 1.027 0.744 1.000 0.636 CB 1.711 12 residues pruned to eliminate duplicates Z: 11 27.564 2.170 0.939 0.898 1.000 0.700 CB 1.481 11 residues pruned to eliminate duplicates Z: 54 37.303 2.258 0.752 0.474 0.868 0.623 CB 1.532 92 residues pruned to eliminate duplicates Z: 11 23.999 2.073 0.961 0.848 1.000 0.800 CB 1.385 Z: 11 28.446 2.071 1.167 0.852 1.000 0.700 CB 1.483 11 residues pruned to eliminate duplicates Z: 11 26.303 2.099 1.014 0.841 1.000 0.800 CB 1.468 11 residues pruned to eliminate duplicates Z: 31 33.815 2.203 0.930 0.612 0.900 0.567 CB 1.452 42 residues pruned to eliminate duplicates Z: 43 38.743 2.311 0.707 0.554 0.881 0.643 CB 1.633 44 residues pruned to eliminate duplicates Z: 12 25.283 1.966 1.004 0.853 1.000 0.636 CB 1.431 Z: 7 4.022 1.403 0.811 0.397 0.833 0.667 CA 0.865 6 residues pruned to eliminate duplicates Z: 6 4.119 1.494 1.013 0.304 0.800 0.400 N 0.952 Z: 6 3.493 1.621 0.872 0.162 0.600 0.600 N 1.296 Z: 6 6.879 1.963 0.516 0.537 0.800 0.400 CA 1.246 Z: 6 4.781 1.492 1.742 0.223 0.600 0.000 C 1.204 Z: 6 8.395 2.134 1.011 0.395 0.800 0.200 CB 1.221 9 residues pruned to eliminate duplicates Z: 6 6.131 1.488 1.039 0.357 1.000 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 30 28.782 2.266 0.992 0.388 0.793 0.517 CB 1.681 42 residues pruned to eliminate duplicates Z: 26 29.660 2.253 0.885 0.445 0.880 0.480 CB 1.679 26 residues pruned to eliminate duplicates Z: 31 26.648 2.280 1.042 0.341 0.800 0.400 CB 1.553 31 residues pruned to eliminate duplicates Z: 27 27.875 2.250 1.044 0.419 0.846 0.538 CB 1.528 27 residues pruned to eliminate duplicates Z: 24 26.640 2.276 0.834 0.405 0.826 0.478 CA 1.780 24 residues pruned to eliminate duplicates Z: 27 34.178 2.285 1.089 0.460 0.885 0.577 CB 1.653 24 residues pruned to eliminate duplicates Z: 8 5.792 1.835 1.070 0.204 0.714 0.571 CA 1.146 8 residues pruned to eliminate duplicates Z: 28 31.733 2.162 1.043 0.486 0.889 0.667 CB 1.578 28 residues pruned to eliminate duplicates Z: 30 34.494 2.374 1.015 0.456 0.862 0.690 CB 1.626 30 residues pruned to eliminate duplicates Z: 15 13.614 1.936 1.190 0.285 0.786 0.429 CB 1.391 15 residues pruned to eliminate duplicates Z: 26 28.463 2.258 1.034 0.445 0.840 0.560 CB 1.562 26 residues pruned to eliminate duplicates Z: 69 62.204 2.374 1.116 0.519 0.853 0.574 CB 1.728 69 residues pruned to eliminate duplicates Z: 25 30.193 2.357 1.037 0.452 0.792 0.583 CB 1.704 25 residues pruned to eliminate duplicates Z: 36 26.277 2.181 0.808 0.406 0.800 0.457 CB 1.553 36 residues pruned to eliminate duplicates Z: 14 10.947 1.988 0.943 0.327 0.615 0.462 CA 1.545 14 residues pruned to eliminate duplicates Z: 22 32.162 2.328 0.968 0.512 0.857 0.714 CB 1.766 22 residues pruned to eliminate duplicates Z: 64 55.380 2.413 0.965 0.494 0.857 0.587 CB 1.727 64 residues pruned to eliminate duplicates Z: 70 66.473 2.437 1.081 0.506 0.870 0.594 CB 1.804 70 residues pruned to eliminate duplicates Z: 63 58.974 2.430 0.999 0.501 0.887 0.613 CB 1.736 63 residues pruned to eliminate duplicates Z: 80 50.863 2.329 0.792 0.459 0.899 0.582 CB 1.591 80 residues pruned to eliminate duplicates Z: 65 54.414 2.381 0.905 0.447 0.922 0.500 CB 1.719 65 residues pruned to eliminate duplicates Z: 37 58.883 2.502 1.023 0.567 0.944 0.667 CB 1.925 37 residues pruned to eliminate duplicates Z: 76 61.923 2.399 0.989 0.472 0.880 0.467 CB 1.751 76 residues pruned to eliminate duplicates Z: 46 43.917 2.324 0.837 0.474 0.911 0.511 CA 1.727 46 residues pruned to eliminate duplicates Z: 84 66.780 2.327 1.034 0.490 0.904 0.578 CB 1.731 90 residues pruned to eliminate duplicates Z: 85 66.858 2.393 0.969 0.505 0.857 0.560 CB 1.798 89 residues pruned to eliminate duplicates Z: 18 47.190 2.278 1.110 0.862 0.941 0.529 CB 1.857 18 residues pruned to eliminate duplicates Z: 38 58.836 2.445 1.149 0.566 0.919 0.622 CB 1.880 38 residues pruned to eliminate duplicates Z: 85 68.164 2.395 1.000 0.518 0.869 0.536 CB 1.754 85 residues pruned to eliminate duplicates Z: 65 62.075 2.440 1.036 0.485 0.906 0.562 CB 1.749 65 residues pruned to eliminate duplicates Z: 46 52.150 2.459 1.085 0.461 0.867 0.511 CB 1.821 46 residues pruned to eliminate duplicates Z: 39 55.369 2.420 1.154 0.561 0.895 0.579 CB 1.815 39 residues pruned to eliminate duplicates Z: 37 54.064 2.435 1.110 0.542 0.944 0.667 CB 1.782 37 residues pruned to eliminate duplicates Z: 68 51.257 2.271 1.007 0.446 0.881 0.537 CB 1.648 68 residues pruned to eliminate duplicates Z: 40 53.085 2.374 1.095 0.542 0.923 0.513 CB 1.777 40 residues pruned to eliminate duplicates Z: 49 57.515 2.410 1.124 0.553 0.896 0.375 CB 1.720 49 residues pruned to eliminate duplicates Z: 57 58.683 2.331 1.190 0.526 0.893 0.536 CB 1.678 57 residues pruned to eliminate duplicates Z: 38 53.796 2.353 1.231 0.512 0.919 0.514 CB 1.811 38 residues pruned to eliminate duplicates Z: 63 58.452 2.364 1.092 0.485 0.903 0.548 CB 1.687 63 residues pruned to eliminate duplicates Z: 55 64.595 2.420 1.119 0.527 0.907 0.574 CB 1.839 55 residues pruned to eliminate duplicates Z: 93 73.971 2.408 0.965 0.522 0.902 0.543 CB 1.767 93 residues pruned to eliminate duplicates Z: 78 57.635 2.285 1.030 0.478 0.857 0.442 CB 1.690 78 residues pruned to eliminate duplicates Z: 42 58.481 2.359 1.166 0.529 0.976 0.488 CB 1.782 42 residues pruned to eliminate duplicates Z: 63 54.334 2.349 0.947 0.469 0.871 0.500 CB 1.787 63 residues pruned to eliminate duplicates Z: 70 62.520 2.382 0.995 0.514 0.870 0.493 CB 1.797 70 residues pruned to eliminate duplicates Z: 88 63.802 2.352 1.040 0.470 0.874 0.460 CB 1.684 88 residues pruned to eliminate duplicates Z: 73 54.523 2.340 0.991 0.486 0.819 0.472 CB 1.706 73 residues pruned to eliminate duplicates Z: 24 31.040 2.353 1.207 0.369 0.783 0.522 CA 1.833 24 residues pruned to eliminate duplicates Z: 86 71.132 2.389 1.041 0.515 0.882 0.494 CB 1.767 86 residues pruned to eliminate duplicates Z: 85 82.799 2.406 1.115 0.586 0.905 0.560 CB 1.807 85 residues pruned to eliminate duplicates Z: 63 54.152 2.350 1.058 0.489 0.806 0.403 CB 1.783 63 residues pruned to eliminate duplicates Z: 70 65.589 2.347 1.033 0.527 0.899 0.507 CB 1.793 70 residues pruned to eliminate duplicates Z: 66 59.931 2.383 1.137 0.498 0.877 0.523 CB 1.668 66 residues pruned to eliminate duplicates Z: 31 41.435 2.403 1.135 0.403 0.900 0.533 CA 1.816 31 residues pruned to eliminate duplicates Z: 77 66.201 2.336 1.159 0.483 0.895 0.474 CB 1.712 77 residues pruned to eliminate duplicates Z: 76 66.278 2.375 1.167 0.496 0.880 0.507 CB 1.697 76 residues pruned to eliminate duplicates Z: 103 58.836 2.228 1.007 0.452 0.863 0.510 CB 1.587 97 residues pruned to eliminate duplicates Z: 12 31.862 2.367 1.370 0.656 1.000 0.273 CA 1.481 12 residues pruned to eliminate duplicates Z: 28 36.265 2.332 1.121 0.495 0.815 0.556 CA 1.742 28 residues pruned to eliminate duplicates Z: 105 68.095 2.309 1.026 0.485 0.885 0.538 CB 1.638 120 residues pruned to eliminate duplicates Z: 11 26.620 2.351 1.276 0.644 0.800 0.400 CA 1.718 11 residues pruned to eliminate duplicates Z: 50 58.701 2.370 0.919 0.610 0.939 0.551 CB 1.769 50 residues pruned to eliminate duplicates Z: 70 72.341 2.385 1.223 0.535 0.899 0.493 CB 1.767 70 residues pruned to eliminate duplicates Z: 91 79.798 2.393 1.108 0.562 0.889 0.600 CB 1.767 91 residues pruned to eliminate duplicates Z: 85 74.442 2.399 1.110 0.530 0.893 0.583 CB 1.745 85 residues pruned to eliminate duplicates Z: 112 82.847 2.396 1.055 0.519 0.919 0.541 CB 1.705 112 residues pruned to eliminate duplicates Z: 96 71.369 2.319 1.082 0.488 0.916 0.516 CB 1.677 96 residues pruned to eliminate duplicates Z: 105 68.597 2.332 1.048 0.465 0.904 0.452 CB 1.615 105 residues pruned to eliminate duplicates Z: 87 68.166 2.364 1.097 0.488 0.895 0.523 CB 1.677 87 residues pruned to eliminate duplicates Z: 47 52.930 2.386 1.057 0.489 0.935 0.565 CB 1.720 47 residues pruned to eliminate duplicates Z: 64 62.936 2.335 1.167 0.534 0.889 0.444 CB 1.705 64 residues pruned to eliminate duplicates Z: 87 63.642 2.362 1.054 0.484 0.860 0.477 CB 1.671 87 residues pruned to eliminate duplicates Z: 83 71.054 2.365 1.150 0.513 0.890 0.537 CB 1.711 83 residues pruned to eliminate duplicates Z: 33 31.612 2.129 1.139 0.468 0.844 0.531 CB 1.503 33 residues pruned to eliminate duplicates Z: 93 70.833 2.345 1.111 0.494 0.902 0.565 CB 1.664 93 residues pruned to eliminate duplicates Z: 87 73.401 2.359 1.096 0.514 0.907 0.593 CB 1.741 87 residues pruned to eliminate duplicates Z: 108 72.885 2.353 1.053 0.484 0.897 0.542 CB 1.652 104 residues pruned to eliminate duplicates Z: 6 4.825 1.837 0.317 0.533 0.600 0.200 CB 1.439 6 residues pruned to eliminate duplicates Z: 115 85.045 2.379 1.074 0.521 0.912 0.553 CB 1.733 115 residues pruned to eliminate duplicates Z: 23 48.662 2.457 1.049 0.663 0.955 0.682 CB 1.856 23 residues pruned to eliminate duplicates Z: 25 41.528 2.408 0.960 0.620 0.917 0.750 CB 1.750 25 residues pruned to eliminate duplicates Z: 91 86.419 2.418 1.150 0.567 0.933 0.611 CB 1.759 91 residues pruned to eliminate duplicates Z: 26 44.039 2.265 1.121 0.651 0.920 0.640 CB 1.732 26 residues pruned to eliminate duplicates Z: 95 84.126 2.387 1.098 0.530 0.957 0.585 CB 1.756 95 residues pruned to eliminate duplicates Z: 84 89.778 2.407 1.199 0.581 0.964 0.651 CA 1.787 84 residues pruned to eliminate duplicates Z: 49 59.729 2.339 1.068 0.574 0.938 0.625 CA 1.770 49 residues pruned to eliminate duplicates Z: 92 82.591 2.358 1.154 0.567 0.934 0.670 CB 1.710 92 residues pruned to eliminate duplicates Z: 41 53.020 2.368 1.044 0.567 0.925 0.575 CB 1.754 41 residues pruned to eliminate duplicates Z: 125 91.320 2.388 1.179 0.518 0.895 0.540 CB 1.729 125 residues pruned to eliminate duplicates Z: 95 75.347 2.334 1.030 0.524 0.947 0.543 CB 1.691 95 residues pruned to eliminate duplicates Z: 23 55.101 2.454 1.255 0.689 0.955 0.864 CA 1.871 23 residues pruned to eliminate duplicates Z: 58 60.695 2.336 1.163 0.560 0.895 0.561 CB 1.678 58 residues pruned to eliminate duplicates Z: 37 57.516 2.402 1.069 0.597 0.972 0.611 CB 1.808 37 residues pruned to eliminate duplicates Z: 29 38.788 2.281 1.051 0.539 0.893 0.643 CA 1.688 29 residues pruned to eliminate duplicates Z: 24 50.007 2.404 1.166 0.666 0.957 0.739 CB 1.795 24 residues pruned to eliminate duplicates Z: 109 88.536 2.395 1.116 0.570 0.907 0.574 CB 1.731 109 residues pruned to eliminate duplicates Z: 141 94.435 2.368 1.062 0.541 0.914 0.586 CB 1.717 141 residues pruned to eliminate duplicates Z: 25 47.529 2.348 1.283 0.621 0.917 0.625 CA 1.761 25 residues pruned to eliminate duplicates Z: 96 84.342 2.402 1.154 0.558 0.926 0.589 CB 1.706 96 residues pruned to eliminate duplicates Z: 82 73.009 2.354 1.204 0.530 0.877 0.543 CB 1.732 82 residues pruned to eliminate duplicates Z: 122 86.762 2.346 1.057 0.534 0.934 0.512 CB 1.693 122 residues pruned to eliminate duplicates Z: 114 87.653 2.337 1.089 0.546 0.929 0.558 CB 1.739 114 residues pruned to eliminate duplicates Z: 32 24.097 2.104 0.708 0.469 0.871 0.516 CB 1.427 32 residues pruned to eliminate duplicates Z: 12 5.214 1.925 0.097 0.380 0.727 0.545 CB 1.163 12 residues pruned to eliminate duplicates Z: 7 4.816 2.110 0.417 0.349 0.833 0.667 CB 0.930 7 residues pruned to eliminate duplicates Z: 51 43.621 2.313 0.750 0.553 0.880 0.600 CB 1.645 51 residues pruned to eliminate duplicates Z: 53 51.724 2.290 0.916 0.582 0.904 0.615 CB 1.672 53 residues pruned to eliminate duplicates Z: 19 24.712 2.259 0.869 0.508 0.833 0.556 CB 1.642 19 residues pruned to eliminate duplicates Z: 20 28.664 2.230 0.935 0.555 0.895 0.474 CB 1.615 20 residues pruned to eliminate duplicates Z: 30 23.867 2.199 0.656 0.418 0.793 0.448 CB 1.672 30 residues pruned to eliminate duplicates Z: 16 29.085 2.342 0.894 0.563 0.933 0.533 CB 1.706 16 residues pruned to eliminate duplicates Z: 18 20.166 2.185 0.762 0.483 0.882 0.471 CB 1.464 18 residues pruned to eliminate duplicates Z: 29 28.708 2.292 0.763 0.509 0.821 0.536 CB 1.621 29 residues pruned to eliminate duplicates Z: 20 22.754 2.206 0.700 0.508 0.895 0.368 CB 1.544 20 residues pruned to eliminate duplicates Z: 9 26.388 2.445 0.953 0.573 1.000 0.500 CB 1.820 9 residues pruned to eliminate duplicates Z: 18 22.339 2.247 0.898 0.523 0.765 0.471 CB 1.623 18 residues pruned to eliminate duplicates Z: 141 86.501 2.334 1.036 0.524 0.893 0.579 CB 1.682 141 residues pruned to eliminate duplicates Z: 15 19.635 2.216 0.555 0.480 0.929 0.500 CB 1.673 15 residues pruned to eliminate duplicates Z: 30 33.964 2.206 0.842 0.530 0.897 0.621 CB 1.682 30 residues pruned to eliminate duplicates Z: 26 29.035 2.266 0.608 0.468 0.960 0.680 CB 1.715 26 residues pruned to eliminate duplicates Z: 30 32.235 2.230 0.750 0.508 0.931 0.586 CB 1.634 30 residues pruned to eliminate duplicates Z: 13 16.963 2.291 0.480 0.384 1.000 0.667 CA 1.634 13 residues pruned to eliminate duplicates Z: 136 90.476 2.345 1.040 0.518 0.933 0.526 CB 1.713 136 residues pruned to eliminate duplicates Z: 23 26.951 2.275 0.707 0.493 0.909 0.727 CB 1.638 23 residues pruned to eliminate duplicates Z: 40 32.600 2.272 0.765 0.431 0.872 0.487 CB 1.605 40 residues pruned to eliminate duplicates Z: 41 28.320 2.225 0.608 0.465 0.825 0.525 CB 1.572 41 residues pruned to eliminate duplicates Z: 32 26.829 2.210 0.911 0.429 0.806 0.452 CA 1.522 32 residues pruned to eliminate duplicates Z: 15 18.042 2.243 0.686 0.378 0.857 0.571 CB 1.693 15 residues pruned to eliminate duplicates Z: 38 37.250 2.336 0.802 0.452 0.919 0.432 CB 1.664 38 residues pruned to eliminate duplicates Z: 40 39.390 2.296 0.860 0.477 0.872 0.513 CB 1.734 40 residues pruned to eliminate duplicates Z: 22 24.660 2.320 0.776 0.374 0.905 0.476 CB 1.653 22 residues pruned to eliminate duplicates Z: 32 29.945 2.322 0.674 0.420 0.871 0.516 CB 1.726 32 residues pruned to eliminate duplicates Z: 33 28.318 2.286 0.725 0.433 0.844 0.562 CB 1.613 33 residues pruned to eliminate duplicates Z: 58 44.800 2.245 0.997 0.428 0.860 0.456 CB 1.659 58 residues pruned to eliminate duplicates Z: 25 18.356 2.032 0.601 0.396 0.833 0.417 CB 1.543 25 residues pruned to eliminate duplicates Z: 26 20.179 2.178 0.673 0.295 0.880 0.440 CB 1.583 26 residues pruned to eliminate duplicates Z: 15 19.746 2.194 0.747 0.434 0.929 0.500 CB 1.588 15 residues pruned to eliminate duplicates Z: 20 17.838 2.122 0.729 0.362 0.842 0.316 CB 1.537 20 residues pruned to eliminate duplicates Z: 15 19.570 2.284 0.945 0.372 0.857 0.429 CB 1.576 15 residues pruned to eliminate duplicates Z: 42 40.909 2.390 0.875 0.508 0.854 0.537 CB 1.657 42 residues pruned to eliminate duplicates Z: 60 47.445 2.394 0.825 0.480 0.898 0.610 CB 1.607 74 residues pruned to eliminate duplicates Z: 12 31.087 2.286 0.998 0.836 1.000 0.636 CA 1.536 12 residues pruned to eliminate duplicates Z: 62 41.921 2.361 0.817 0.482 0.836 0.475 CB 1.525 62 residues pruned to eliminate duplicates Z: 44 43.635 2.503 0.748 0.517 0.907 0.628 CB 1.648 44 residues pruned to eliminate duplicates Z: 15 24.774 2.303 0.966 0.523 0.929 0.571 CA 1.539 15 residues pruned to eliminate duplicates Z: 45 42.594 2.445 0.788 0.515 0.909 0.636 CB 1.592 45 residues pruned to eliminate duplicates Z: 87 54.815 2.374 0.802 0.476 0.872 0.640 CB 1.623 87 residues pruned to eliminate duplicates Z: 46 47.452 2.451 0.917 0.522 0.911 0.622 CB 1.617 46 residues pruned to eliminate duplicates Z: 44 41.287 2.495 0.721 0.510 0.860 0.674 CB 1.689 44 residues pruned to eliminate duplicates Z: 45 48.551 2.492 0.893 0.529 0.909 0.659 CB 1.659 45 residues pruned to eliminate duplicates Z: 30 43.860 2.373 0.971 0.629 0.931 0.724 CB 1.656 30 residues pruned to eliminate duplicates Z: 27 45.399 2.451 0.832 0.675 0.962 0.654 CA 1.754 27 residues pruned to eliminate duplicates Z: 87 52.823 2.330 0.758 0.484 0.872 0.558 CB 1.620 87 residues pruned to eliminate duplicates Z: 37 41.722 2.482 0.764 0.543 0.917 0.667 CB 1.661 37 residues pruned to eliminate duplicates Z: 45 45.664 2.495 0.881 0.517 0.909 0.568 CB 1.587 45 residues pruned to eliminate duplicates Z: 42 38.087 2.461 0.755 0.458 0.854 0.634 CB 1.684 42 residues pruned to eliminate duplicates Z: 44 50.582 2.509 0.881 0.529 0.930 0.721 CB 1.708 44 residues pruned to eliminate duplicates Z: 24 46.061 2.499 1.068 0.612 0.913 0.565 CA 1.830 24 residues pruned to eliminate duplicates Z: 44 51.973 2.492 1.010 0.529 0.907 0.558 CB 1.696 44 residues pruned to eliminate duplicates Z: 13 40.657 2.457 0.926 0.934 1.000 0.917 CB 1.729 13 residues pruned to eliminate duplicates Z: 44 47.032 2.457 0.832 0.538 0.930 0.581 CB 1.650 44 residues pruned to eliminate duplicates Z: 47 45.799 2.428 0.888 0.512 0.913 0.630 CB 1.595 47 residues pruned to eliminate duplicates Z: 44 45.473 2.479 0.837 0.527 0.884 0.674 CB 1.678 44 residues pruned to eliminate duplicates Z: 42 43.130 2.431 0.852 0.494 0.878 0.561 CA 1.715 42 residues pruned to eliminate duplicates Z: 44 44.570 2.477 0.916 0.499 0.860 0.558 CB 1.667 44 residues pruned to eliminate duplicates Z: 43 45.049 2.424 0.913 0.499 0.905 0.667 CB 1.659 43 residues pruned to eliminate duplicates Z: 41 49.524 2.480 0.964 0.523 0.950 0.600 CB 1.655 41 residues pruned to eliminate duplicates Z: 8 10.220 1.986 0.805 0.487 0.857 0.857 CA 1.274 8 residues pruned to eliminate duplicates Z: 90 56.509 2.345 0.871 0.467 0.876 0.517 CB 1.611 90 residues pruned to eliminate duplicates Z: 44 40.411 2.435 0.806 0.471 0.860 0.488 CB 1.677 44 residues pruned to eliminate duplicates Z: 45 49.721 2.470 0.971 0.546 0.909 0.682 CB 1.620 44 residues pruned to eliminate duplicates Z: 7 7.870 1.667 0.557 0.494 1.000 0.833 O 1.246 7 residues pruned to eliminate duplicates Z: 45 50.265 2.461 1.099 0.530 0.864 0.568 CB 1.650 45 residues pruned to eliminate duplicates Z: 19 20.956 2.450 0.647 0.390 0.889 0.556 CB 1.547 19 residues pruned to eliminate duplicates Z: 6 8.526 1.877 0.883 0.533 0.800 0.400 CA 1.306 6 residues pruned to eliminate duplicates Z: 18 19.753 2.454 0.800 0.325 0.824 0.412 CB 1.596 18 residues pruned to eliminate duplicates Z: 35 35.411 2.387 0.952 0.513 0.882 0.529 CB 1.459 35 residues pruned to eliminate duplicates Z: 44 49.632 2.484 0.983 0.550 0.907 0.605 CB 1.613 44 residues pruned to eliminate duplicates Z: 44 51.345 2.482 1.067 0.554 0.930 0.442 CB 1.556 44 residues pruned to eliminate duplicates Z: 107 65.387 2.376 0.919 0.494 0.887 0.481 CB 1.580 108 residues pruned to eliminate duplicates Z: 6 6.993 1.664 0.418 0.412 1.000 0.600 CA 1.454 5 residues pruned to eliminate duplicates Z: 8 9.756 1.706 0.695 0.570 1.000 0.857 CA 1.192 8 residues pruned to eliminate duplicates Z: 20 20.356 2.191 1.029 0.414 0.842 0.526 CB 1.364 20 residues pruned to eliminate duplicates Z: 6 7.949 1.816 0.558 0.460 1.000 0.600 CB 1.308 6 residues pruned to eliminate duplicates Z: 21 22.043 2.193 0.797 0.484 0.950 0.600 CB 1.338 21 residues pruned to eliminate duplicates Z: 24 19.544 2.245 0.862 0.415 0.826 0.522 CB 1.290 24 residues pruned to eliminate duplicates Z: 7 5.438 1.463 0.936 0.354 0.833 0.333 CA 1.101 7 residues pruned to eliminate duplicates Z: 98 60.737 2.324 0.842 0.501 0.866 0.588 CB 1.661 104 residues pruned to eliminate duplicates Z: 22 17.810 2.168 0.858 0.413 0.762 0.429 CB 1.388 22 residues pruned to eliminate duplicates Z: 17 20.890 2.214 0.888 0.444 0.875 0.562 CB 1.512 17 residues pruned to eliminate duplicates Z: 6 8.101 2.063 1.016 0.266 0.800 0.200 CB 1.422 6 residues pruned to eliminate duplicates Z: 24 31.254 2.244 0.952 0.477 0.957 0.435 CB 1.592 24 residues pruned to eliminate duplicates Z: 26 29.676 2.211 1.011 0.469 0.880 0.560 CB 1.565 26 residues pruned to eliminate duplicates Z: 23 25.068 2.142 1.074 0.465 0.818 0.455 CB 1.523 23 residues pruned to eliminate duplicates Z: 57 38.577 2.207 0.899 0.456 0.839 0.607 CB 1.532 256 residues pruned to eliminate duplicates Z: 131 68.292 2.283 0.803 0.486 0.915 0.523 CB 1.612 Z: 6 4.167 1.871 0.479 0.422 0.800 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 40 36.206 2.194 1.029 0.437 0.923 0.564 CB 1.505 27 residues pruned to eliminate duplicates Z: 10 10.286 1.528 1.533 0.481 0.889 0.556 CA 1.016 10 residues pruned to eliminate duplicates Z: 26 31.243 2.142 0.918 0.496 0.920 0.480 CB 1.660 26 residues pruned to eliminate duplicates Z: 23 28.025 2.258 0.955 0.414 0.955 0.455 CB 1.551 23 residues pruned to eliminate duplicates Z: 25 23.227 2.106 0.641 0.451 0.958 0.625 CB 1.505 25 residues pruned to eliminate duplicates Z: 30 23.034 2.214 0.770 0.390 0.862 0.517 CB 1.422 30 residues pruned to eliminate duplicates Z: 28 21.390 2.227 0.879 0.385 0.815 0.556 CB 1.363 28 residues pruned to eliminate duplicates Z: 8 6.159 2.077 0.671 0.471 0.714 0.714 CA 0.967 8 residues pruned to eliminate duplicates Z: 7 7.652 2.027 0.442 0.520 0.833 0.500 CA 1.258 7 residues pruned to eliminate duplicates Z: 6 5.905 1.838 0.277 0.520 0.800 0.800 CA 1.379 6 residues pruned to eliminate duplicates Z: 10 8.099 1.915 0.709 0.426 0.667 0.556 CB 1.336 10 residues pruned to eliminate duplicates Z: 83 60.821 2.367 0.796 0.518 0.890 0.537 CB 1.743 83 residues pruned to eliminate duplicates Z: 7 5.529 1.910 0.713 0.244 0.833 0.500 CA 1.114 7 residues pruned to eliminate duplicates Z: 8 5.639 2.081 0.631 0.208 0.714 0.571 CB 1.241 8 residues pruned to eliminate duplicates Z: 39 17.695 2.013 0.468 0.391 0.816 0.474 CB 1.336 39 residues pruned to eliminate duplicates Z: 64 50.592 2.405 0.866 0.482 0.889 0.524 CB 1.628 64 residues pruned to eliminate duplicates Z: 54 39.754 2.287 0.867 0.405 0.849 0.453 CB 1.665 54 residues pruned to eliminate duplicates Z: 90 65.093 2.354 0.961 0.484 0.910 0.551 CB 1.670 90 residues pruned to eliminate duplicates Z: 39 46.531 2.502 0.881 0.538 0.868 0.605 CB 1.779 39 residues pruned to eliminate duplicates Z: 38 40.403 2.412 0.834 0.555 0.865 0.730 CB 1.646 38 residues pruned to eliminate duplicates Z: 38 57.046 2.514 1.075 0.572 0.919 0.568 CB 1.825 38 residues pruned to eliminate duplicates Z: 38 53.786 2.470 0.958 0.565 0.946 0.676 CA 1.814 38 residues pruned to eliminate duplicates Z: 103 60.995 2.307 0.815 0.505 0.882 0.549 CB 1.627 103 residues pruned to eliminate duplicates Z: 104 71.653 2.298 0.961 0.542 0.883 0.553 CB 1.703 112 residues pruned to eliminate duplicates Z: 18 43.788 2.358 1.025 0.789 0.941 0.471 CA 1.834 18 residues pruned to eliminate duplicates Z: 57 45.179 2.293 1.006 0.433 0.875 0.518 CB 1.607 57 residues pruned to eliminate duplicates Z: 88 59.629 2.309 0.837 0.523 0.874 0.552 CB 1.687 88 residues pruned to eliminate duplicates Z: 65 57.664 2.372 0.942 0.548 0.891 0.578 CB 1.676 65 residues pruned to eliminate duplicates Z: 57 54.319 2.411 0.894 0.537 0.857 0.518 CB 1.789 57 residues pruned to eliminate duplicates Z: 74 57.913 2.417 0.974 0.501 0.836 0.575 CB 1.698 74 residues pruned to eliminate duplicates Z: 38 53.496 2.495 1.015 0.557 0.946 0.541 CB 1.749 38 residues pruned to eliminate duplicates Z: 139 70.415 2.276 0.866 0.491 0.877 0.522 CB 1.625 130 residues pruned to eliminate duplicates Z: 19 47.642 2.571 0.989 0.698 1.000 0.444 CA 1.833 19 residues pruned to eliminate duplicates Z: 37 51.664 2.512 0.928 0.554 0.972 0.556 CB 1.735 37 residues pruned to eliminate duplicates Z: 38 62.112 2.518 1.139 0.545 0.973 0.703 CB 1.865 38 residues pruned to eliminate duplicates Z: 64 60.984 2.367 0.975 0.518 0.905 0.603 CB 1.784 64 residues pruned to eliminate duplicates Z: 66 63.601 2.335 0.960 0.542 0.985 0.615 CB 1.680 66 residues pruned to eliminate duplicates Z: 101 66.718 2.307 0.933 0.533 0.870 0.540 CB 1.664 101 residues pruned to eliminate duplicates Z: 40 46.963 2.402 0.938 0.517 0.897 0.410 CB 1.770 40 residues pruned to eliminate duplicates Z: 38 58.990 2.506 1.179 0.568 0.919 0.595 CB 1.809 38 residues pruned to eliminate duplicates Z: 45 33.033 2.315 0.809 0.393 0.841 0.409 CB 1.584 45 residues pruned to eliminate duplicates Z: 108 72.393 2.290 0.967 0.507 0.944 0.486 CB 1.635 108 residues pruned to eliminate duplicates Z: 38 58.862 2.522 1.075 0.560 0.946 0.405 CB 1.844 38 residues pruned to eliminate duplicates Z: 47 45.513 2.361 0.887 0.492 0.913 0.543 CB 1.663 47 residues pruned to eliminate duplicates Z: 113 58.119 2.248 0.819 0.480 0.848 0.482 CB 1.617 113 residues pruned to eliminate duplicates Z: 78 62.420 2.382 0.960 0.496 0.909 0.545 CB 1.683 78 residues pruned to eliminate duplicates Z: 82 62.929 2.247 1.016 0.509 0.938 0.519 CB 1.631 82 residues pruned to eliminate duplicates Z: 77 62.927 2.396 0.984 0.487 0.921 0.526 CB 1.670 77 residues pruned to eliminate duplicates Z: 20 23.775 2.351 0.703 0.481 0.842 0.474 CB 1.648 20 residues pruned to eliminate duplicates Z: 29 31.394 2.130 0.847 0.574 0.893 0.464 CB 1.572 29 residues pruned to eliminate duplicates Z: 56 58.475 2.464 0.974 0.495 0.891 0.509 CB 1.829 56 residues pruned to eliminate duplicates Z: 27 29.931 2.248 1.000 0.384 0.846 0.500 CB 1.746 27 residues pruned to eliminate duplicates Z: 36 36.129 2.278 0.924 0.415 0.857 0.486 CB 1.777 36 residues pruned to eliminate duplicates Z: 63 55.160 2.408 0.977 0.470 0.887 0.597 CB 1.710 63 residues pruned to eliminate duplicates Z: 85 67.287 2.263 0.969 0.513 0.929 0.560 CB 1.751 85 residues pruned to eliminate duplicates Z: 30 22.521 2.172 0.667 0.339 0.828 0.483 CB 1.663 30 residues pruned to eliminate duplicates Z: 112 72.905 2.321 0.962 0.514 0.901 0.523 CB 1.663 112 residues pruned to eliminate duplicates Z: 43 39.579 2.267 0.839 0.456 0.929 0.476 CB 1.649 43 residues pruned to eliminate duplicates Z: 24 29.322 2.300 0.927 0.539 0.870 0.565 CB 1.527 24 residues pruned to eliminate duplicates Z: 59 45.821 2.330 0.892 0.444 0.862 0.448 CB 1.677 59 residues pruned to eliminate duplicates Z: 45 42.490 2.294 1.015 0.446 0.909 0.500 CB 1.612 45 residues pruned to eliminate duplicates Z: 59 63.178 2.401 1.082 0.533 0.931 0.517 CB 1.726 59 residues pruned to eliminate duplicates Z: 61 58.803 2.410 0.910 0.549 0.900 0.533 CB 1.747 61 residues pruned to eliminate duplicates Z: 53 47.427 2.152 1.002 0.502 0.904 0.596 CB 1.686 53 residues pruned to eliminate duplicates Z: 87 75.529 2.310 0.996 0.555 0.953 0.605 CB 1.756 87 residues pruned to eliminate duplicates Z: 121 69.063 2.283 0.950 0.465 0.867 0.617 CB 1.694 121 residues pruned to eliminate duplicates Z: 61 66.628 2.427 1.174 0.542 0.917 0.550 CB 1.707 61 residues pruned to eliminate duplicates Z: 43 48.580 2.209 1.031 0.566 0.905 0.643 CB 1.732 43 residues pruned to eliminate duplicates Z: 59 65.869 2.444 1.039 0.557 0.948 0.517 CB 1.732 59 residues pruned to eliminate duplicates Z: 88 66.379 2.315 0.957 0.551 0.920 0.598 CB 1.625 88 residues pruned to eliminate duplicates Z: 85 71.619 2.354 1.045 0.516 0.940 0.583 CB 1.699 85 residues pruned to eliminate duplicates Z: 59 66.397 2.405 0.969 0.574 0.966 0.638 CB 1.775 59 residues pruned to eliminate duplicates Z: 125 73.601 2.258 0.921 0.528 0.919 0.581 CB 1.612 113 residues pruned to eliminate duplicates Z: 14 30.122 2.005 0.987 0.761 1.000 0.769 CA 1.663 14 residues pruned to eliminate duplicates Z: 79 63.978 2.283 1.046 0.500 0.910 0.500 CB 1.703 79 residues pruned to eliminate duplicates Z: 23 39.337 2.212 1.101 0.678 0.955 0.636 CB 1.605 23 residues pruned to eliminate duplicates Z: 24 41.161 2.176 1.080 0.620 1.000 0.696 CB 1.692 24 residues pruned to eliminate duplicates Z: 53 34.864 2.134 0.712 0.524 0.846 0.538 CB 1.527 53 residues pruned to eliminate duplicates Z: 29 36.686 2.089 0.837 0.579 1.000 0.643 CB 1.674 29 residues pruned to eliminate duplicates Z: 48 40.203 2.184 0.839 0.525 0.894 0.574 CB 1.595 48 residues pruned to eliminate duplicates Z: 40 40.004 2.179 0.869 0.560 0.923 0.538 CB 1.607 40 residues pruned to eliminate duplicates Z: 23 35.494 2.177 1.066 0.651 0.909 0.727 CA 1.608 23 residues pruned to eliminate duplicates Z: 23 38.430 2.176 1.031 0.678 1.000 0.682 CA 1.573 23 residues pruned to eliminate duplicates Z: 21 37.298 2.259 1.002 0.653 0.950 0.650 CA 1.684 21 residues pruned to eliminate duplicates Z: 28 31.314 2.169 0.855 0.573 0.852 0.630 CA 1.639 28 residues pruned to eliminate duplicates Z: 39 41.011 2.177 0.966 0.602 0.868 0.579 CB 1.625 39 residues pruned to eliminate duplicates Z: 22 36.577 2.233 0.949 0.692 0.952 0.714 CA 1.616 22 residues pruned to eliminate duplicates Z: 23 35.050 2.196 0.994 0.640 0.909 0.636 CB 1.646 23 residues pruned to eliminate duplicates Z: 48 41.028 2.233 0.875 0.537 0.872 0.553 CB 1.579 48 residues pruned to eliminate duplicates Z: 30 32.210 2.037 0.935 0.542 0.931 0.724 CB 1.564 30 residues pruned to eliminate duplicates Z: 40 41.727 2.159 1.032 0.575 0.923 0.564 CB 1.534 40 residues pruned to eliminate duplicates Z: 50 35.893 2.164 0.809 0.518 0.837 0.510 CB 1.538 50 residues pruned to eliminate duplicates Z: 41 37.825 2.167 0.810 0.558 0.925 0.600 CB 1.558 41 residues pruned to eliminate duplicates Z: 37 35.181 2.181 0.803 0.549 0.861 0.611 CB 1.650 37 residues pruned to eliminate duplicates Z: 17 18.270 2.141 0.712 0.480 0.875 0.500 CB 1.454 17 residues pruned to eliminate duplicates Z: 38 32.704 2.130 0.761 0.585 0.838 0.595 CA 1.577 38 residues pruned to eliminate duplicates Z: 77 46.302 2.152 0.788 0.531 0.895 0.539 CB 1.497 62 residues pruned to eliminate duplicates Z: 11 4.983 1.312 0.724 0.544 0.800 0.600 O 0.834 11 residues pruned to eliminate duplicates Z: 16 22.092 2.139 0.828 0.583 0.867 0.533 CB 1.555 16 residues pruned to eliminate duplicates Z: 47 41.205 2.186 0.799 0.572 0.913 0.565 CB 1.579 47 residues pruned to eliminate duplicates Z: 16 20.296 2.177 0.651 0.552 0.867 0.467 CB 1.600 16 residues pruned to eliminate duplicates Z: 27 23.492 2.125 0.580 0.469 0.885 0.500 CB 1.602 27 residues pruned to eliminate duplicates Z: 44 32.643 2.169 0.726 0.446 0.907 0.581 CB 1.549 44 residues pruned to eliminate duplicates Z: 28 27.656 2.149 0.753 0.469 0.926 0.667 CB 1.575 28 residues pruned to eliminate duplicates Z: 23 16.803 2.035 0.748 0.453 0.909 0.591 CB 1.162 23 residues pruned to eliminate duplicates Z: 11 12.872 2.111 0.661 0.403 0.900 0.500 CB 1.429 11 residues pruned to eliminate duplicates Z: 13 11.621 2.115 0.400 0.437 0.917 0.583 CB 1.319 13 residues pruned to eliminate duplicates Z: 12 7.097 2.025 0.409 0.356 0.818 0.636 CB 1.070 Z: 6 5.724 1.617 0.347 0.644 1.000 0.600 CB 1.027 6 residues pruned to eliminate duplicates Z: 20 11.351 1.940 0.649 0.354 0.842 0.526 CB 1.133 20 residues pruned to eliminate duplicates Z: 14 12.795 1.990 0.543 0.457 0.923 0.462 CB 1.308 14 residues pruned to eliminate duplicates Z: 15 12.077 2.053 0.583 0.320 0.929 0.286 CB 1.305 15 residues pruned to eliminate duplicates Z: 18 13.079 2.064 0.654 0.366 0.824 0.412 CB 1.303 18 residues pruned to eliminate duplicates Z: 87 47.372 2.194 0.913 0.424 0.884 0.535 CB 1.491 87 residues pruned to eliminate duplicates Z: 38 18.100 2.035 0.649 0.337 0.838 0.405 CB 1.264 38 residues pruned to eliminate duplicates Z: 16 23.006 2.197 0.725 0.597 0.867 0.533 CB 1.649 28 residues pruned to eliminate duplicates Z: 13 21.072 1.928 1.003 0.722 0.833 0.583 CB 1.546 13 residues pruned to eliminate duplicates Z: 13 28.229 1.898 1.020 0.795 1.000 0.583 CB 1.641 13 residues pruned to eliminate duplicates Z: 16 21.545 2.168 0.852 0.511 0.867 0.467 CB 1.581 16 residues pruned to eliminate duplicates Z: 14 27.268 2.202 0.864 0.588 0.923 0.462 CB 1.834 14 residues pruned to eliminate duplicates Z: 11 25.131 2.012 0.903 0.801 1.000 0.600 CB 1.596 12 residues pruned to eliminate duplicates Z: 11 20.563 1.847 0.957 0.839 1.000 0.700 CB 1.344 11 residues pruned to eliminate duplicates Z: 12 11.060 2.094 0.629 0.386 0.727 0.273 CB 1.517 12 residues pruned to eliminate duplicates Z: 45 35.443 2.234 0.827 0.422 0.841 0.477 CB 1.689 18 residues pruned to eliminate duplicates Z: 13 33.404 2.403 0.906 0.893 0.917 0.917 CA 1.649 13 residues pruned to eliminate duplicates Z: 41 36.975 2.302 0.770 0.490 0.875 0.575 CB 1.656 41 residues pruned to eliminate duplicates Z: 30 33.543 2.357 0.680 0.527 0.931 0.483 CB 1.645 29 residues pruned to eliminate duplicates Z: 13 44.714 2.243 1.483 0.860 1.000 0.500 CA 1.703 13 residues pruned to eliminate duplicates Z: 25 28.740 2.181 0.920 0.552 0.833 0.500 CA 1.598 25 residues pruned to eliminate duplicates Z: 32 27.309 2.274 0.779 0.511 0.806 0.516 CB 1.488 31 residues pruned to eliminate duplicates Z: 13 38.051 2.207 1.431 0.904 0.917 0.500 CA 1.591 13 residues pruned to eliminate duplicates Z: 31 34.236 2.320 0.782 0.550 0.900 0.567 CB 1.600 32 residues pruned to eliminate duplicates Z: 12 37.611 2.393 1.380 0.918 0.818 0.545 CA 1.717 12 residues pruned to eliminate duplicates Z: 29 38.573 2.396 0.830 0.573 0.929 0.714 CB 1.669 30 residues pruned to eliminate duplicates Z: 11 45.387 2.465 1.326 0.928 1.000 0.400 CA 1.753 11 residues pruned to eliminate duplicates Z: 40 39.941 2.307 0.840 0.469 0.923 0.590 CB 1.684 40 residues pruned to eliminate duplicates Z: 30 39.780 2.354 0.968 0.565 0.966 0.483 CB 1.551 29 residues pruned to eliminate duplicates Z: 15 32.722 2.282 1.102 0.751 0.929 0.500 CB 1.569 15 residues pruned to eliminate duplicates Z: 42 33.607 2.250 0.813 0.490 0.829 0.439 CB 1.568 42 residues pruned to eliminate duplicates Z: 30 36.203 2.371 0.873 0.559 0.931 0.621 CB 1.536 30 residues pruned to eliminate duplicates Z: 30 34.978 2.344 0.746 0.554 0.966 0.655 CB 1.560 30 residues pruned to eliminate duplicates Z: 6 9.928 1.851 1.578 0.267 0.800 0.600 CA 1.516 6 residues pruned to eliminate duplicates Z: 29 31.790 2.359 0.818 0.525 0.857 0.429 CB 1.595 29 residues pruned to eliminate duplicates Z: 30 35.120 2.323 0.833 0.547 0.966 0.483 CB 1.515 30 residues pruned to eliminate duplicates Z: 17 23.382 2.355 0.679 0.431 1.000 0.750 CB 1.588 17 residues pruned to eliminate duplicates Z: 18 20.531 2.325 0.544 0.410 0.941 0.529 CB 1.619 18 residues pruned to eliminate duplicates Z: 33 36.693 2.254 0.933 0.537 0.938 0.500 CB 1.533 32 residues pruned to eliminate duplicates Z: 7 5.987 1.584 0.291 0.453 1.000 0.833 N 1.254 7 residues pruned to eliminate duplicates Z: 31 36.187 2.328 0.959 0.538 0.867 0.533 CB 1.611 31 residues pruned to eliminate duplicates 680 residues left after pruning, divided into chains as follows: A: 7 B: 13 C: 14 D: 8 E: 6 F: 209 G: 12 H: 211 I: 200 Residues blocked in groups of 2 to fit allocated memory (-u) CC for partial structure against native data = 33.34 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.745, Connect. = 0.724 for dens.mod. cycle 1 = 0.301, Contrast = 0.871, Connect. = 0.757 for dens.mod. cycle 2 = 0.301, Contrast = 1.046, Connect. = 0.790 for dens.mod. cycle 3 = 0.301, Contrast = 1.077, Connect. = 0.793 for dens.mod. cycle 4 = 0.301, Contrast = 1.107, Connect. = 0.797 for dens.mod. cycle 5 = 0.301, Contrast = 1.118, Connect. = 0.799 for dens.mod. cycle 6 = 0.301, Contrast = 1.129, Connect. = 0.801 for dens.mod. cycle 7 = 0.301, Contrast = 1.132, Connect. = 0.802 for dens.mod. cycle 8 = 0.301, Contrast = 1.136, Connect. = 0.803 for dens.mod. cycle 9 = 0.301, Contrast = 1.136, Connect. = 0.804 for dens.mod. cycle 10 TimeTaking 355.17