++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:32:32 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: ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.ins Phases from ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.phi Native data from ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.hkl Listing output to ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.lst Phases output to ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.phs Poly-Ala trace output to ./2p8j-2.0-parrot-hancs/2p8j-2.0-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 31 2 1 Allowed origin shift code: 10 44383 Reflections read from file ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.phi 44383 Reflections read from file ./2p8j-2.0-parrot-hancs/2p8j-2.0-parrot-hancs.hkl 44383 Unique data, highest resolution = 2.001 Angstroms Anisotropic scaling: intensities multiplied by -0.000079h^2 -0.000079k^2 +0.000043l^2 +0.000000kl +0.000000hl -0.000079hk 117 Reflections with d > 2.201 and 0 in range 2.201 > d > 2.001 added Density sharpening factor set to 0.75 Fourier grid = 128 x 128 x 41 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.729 = 0.300, Contrast = 0.563, Connect. = 0.707 for dens.mod. cycle 1 = 0.300, Contrast = 0.691, Connect. = 0.721 for dens.mod. cycle 2 = 0.300, Contrast = 0.871, Connect. = 0.753 for dens.mod. cycle 3 = 0.300, Contrast = 0.925, Connect. = 0.766 for dens.mod. cycle 4 = 0.300, Contrast = 0.948, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.959, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.964, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.966, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.965, Connect. = 0.788 for dens.mod. cycle 9 = 0.300, Contrast = 0.964, Connect. = 0.789 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1783 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 457 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 43.634 2.556 0.921 0.929 1.000 0.692 CA 1.724 B: 15 35.123 2.377 0.744 0.903 1.000 0.857 CB 1.615 15 residues pruned to eliminate duplicates C: 13 39.084 2.588 0.773 0.937 1.000 0.917 CA 1.711 13 residues pruned to eliminate duplicates D: 24 25.460 2.266 0.970 0.381 0.870 0.609 CB 1.552 E: 15 40.619 2.398 1.313 0.847 1.000 0.500 CB 1.453 14 residues pruned to eliminate duplicates F: 13 26.107 2.051 1.170 0.654 1.000 0.833 CB 1.467 G: 15 42.688 2.464 1.145 0.872 0.929 0.714 CA 1.695 15 residues pruned to eliminate duplicates H: 29 24.893 2.316 0.896 0.385 0.893 0.571 CB 1.356 21 residues pruned to eliminate duplicates I: 30 54.054 2.385 1.399 0.614 0.931 0.552 CB 1.691 20 residues pruned to eliminate duplicates J: 14 30.259 2.201 0.707 0.913 1.000 0.769 CB 1.581 K: 16 37.339 2.355 0.981 0.936 0.867 0.600 CB 1.660 L: 14 51.939 2.519 1.482 0.925 0.923 0.538 CA 1.752 14 residues pruned to eliminate duplicates M: 31 50.224 2.253 1.154 0.603 0.967 0.633 CB 1.773 N: 16 36.428 2.351 0.829 0.931 0.933 0.867 CA 1.638 16 residues pruned to eliminate duplicates O: 110 62.443 2.187 1.049 0.468 0.927 0.550 CB 1.488 95 residues pruned to eliminate duplicates P: 14 32.629 2.206 0.811 0.932 1.000 0.923 CA 1.582 14 residues pruned to eliminate duplicates Q: 17 40.608 2.308 0.959 0.900 1.000 0.812 CB 1.604 17 residues pruned to eliminate duplicates R: 14 50.969 2.560 1.229 0.931 1.000 0.769 CA 1.732 14 residues pruned to eliminate duplicates S: 14 28.741 2.193 0.488 0.949 1.000 0.846 CA 1.686 14 residues pruned to eliminate duplicates T: 11 26.720 2.362 0.636 0.890 0.900 0.800 CA 1.747 11 residues pruned to eliminate duplicates U: 34 47.047 2.287 1.090 0.584 0.970 0.606 CB 1.631 34 residues pruned to eliminate duplicates V: 17 33.529 2.293 0.838 0.901 0.938 0.938 CB 1.515 17 residues pruned to eliminate duplicates W: 17 35.395 2.287 0.939 0.936 0.938 0.625 CB 1.483 17 residues pruned to eliminate duplicates X: 13 26.868 2.174 0.661 0.803 1.000 0.917 CB 1.648 13 residues pruned to eliminate duplicates Y: 35 25.870 2.141 1.048 0.267 0.912 0.559 CB 1.447 Z: 13 32.728 2.505 0.759 0.911 0.917 0.917 CA 1.658 13 residues pruned to eliminate duplicates Z: 10 25.211 2.205 0.924 0.795 1.000 0.667 CA 1.530 Z: 28 40.612 2.112 0.932 0.647 1.000 0.704 CB 1.670 Z: 11 24.084 2.085 0.862 0.794 0.900 0.600 CA 1.684 11 residues pruned to eliminate duplicates Z: 19 29.152 2.175 0.622 0.905 0.889 0.778 CA 1.559 17 residues pruned to eliminate duplicates Z: 17 32.120 2.287 0.900 0.917 0.938 0.812 CB 1.391 17 residues pruned to eliminate duplicates Z: 10 27.512 2.176 0.978 0.844 1.000 0.778 CA 1.586 10 residues pruned to eliminate duplicates Z: 92 71.729 2.328 1.162 0.528 0.923 0.615 CB 1.575 85 residues pruned to eliminate duplicates Z: 9 21.104 2.223 0.763 0.817 0.875 0.250 CB 1.653 9 residues pruned to eliminate duplicates Z: 6 7.289 1.924 0.557 0.461 0.800 0.200 CA 1.415 Z: 11 22.152 2.051 1.368 0.645 0.900 0.700 CA 1.399 Z: 16 40.870 2.367 0.893 0.946 1.000 0.867 CB 1.629 16 residues pruned to eliminate duplicates Z: 13 26.586 2.169 0.687 0.852 1.000 0.833 CA 1.551 13 residues pruned to eliminate duplicates Z: 11 15.372 1.806 0.558 0.825 0.900 0.400 CA 1.448 Z: 14 47.506 2.550 1.187 0.906 1.000 0.846 CA 1.681 14 residues pruned to eliminate duplicates Z: 17 40.864 2.282 1.225 0.942 0.938 0.812 CB 1.489 17 residues pruned to eliminate duplicates Z: 20 28.503 2.030 1.240 0.669 0.947 0.842 CB 1.298 20 residues pruned to eliminate duplicates Z: 10 23.398 2.235 0.677 0.767 1.000 0.778 CB 1.642 10 residues pruned to eliminate duplicates Z: 45 53.111 2.261 1.044 0.569 0.909 0.591 CB 1.782 45 residues pruned to eliminate duplicates Z: 14 22.697 2.149 1.080 0.548 1.000 0.692 CB 1.345 Z: 13 30.302 2.295 0.665 0.935 1.000 0.667 CB 1.595 13 residues pruned to eliminate duplicates Z: 61 58.695 2.348 1.147 0.501 0.933 0.617 CB 1.610 61 residues pruned to eliminate duplicates Z: 6 16.256 1.828 1.196 0.816 1.000 0.400 CB 1.376 6 residues pruned to eliminate duplicates Z: 10 20.496 2.234 0.603 0.751 1.000 0.667 CA 1.525 10 residues pruned to eliminate duplicates Z: 48 43.295 2.122 1.000 0.586 0.872 0.745 CB 1.570 43 residues pruned to eliminate duplicates Z: 32 47.211 2.244 1.196 0.591 0.903 0.742 CA 1.745 32 residues pruned to eliminate duplicates Z: 10 23.773 2.057 1.224 0.661 1.000 0.667 CB 1.492 10 residues pruned to eliminate duplicates Z: 10 22.390 2.114 0.673 0.847 1.000 0.778 CA 1.567 10 residues pruned to eliminate duplicates Z: 14 23.449 2.154 1.147 0.627 1.000 0.769 CB 1.248 14 residues pruned to eliminate duplicates Z: 30 29.766 1.955 0.849 0.586 0.931 0.690 CA 1.512 41 residues pruned to eliminate duplicates Z: 13 28.172 2.146 0.814 0.843 1.000 0.833 CA 1.556 13 residues pruned to eliminate duplicates Z: 9 13.161 2.201 1.030 0.450 0.875 0.500 CB 1.252 9 residues pruned to eliminate duplicates Z: 27 32.986 2.056 0.913 0.611 1.000 0.654 CB 1.481 27 residues pruned to eliminate duplicates Z: 49 49.754 2.378 1.112 0.541 0.896 0.646 CB 1.533 49 residues pruned to eliminate duplicates Z: 14 27.035 2.177 0.824 0.732 0.923 0.538 CA 1.660 14 residues pruned to eliminate duplicates Z: 14 22.825 1.994 0.777 0.785 1.000 0.615 CB 1.390 14 residues pruned to eliminate duplicates Z: 13 21.924 2.027 0.798 0.810 1.000 0.667 CA 1.326 13 residues pruned to eliminate duplicates Z: 16 22.056 1.927 0.571 0.924 0.933 0.867 CA 1.416 Z: 18 24.638 2.146 0.366 0.910 1.000 0.941 CA 1.446 18 residues pruned to eliminate duplicates Z: 18 10.315 1.962 0.257 0.458 0.824 0.588 CB 1.286 Z: 21 28.613 1.953 1.104 0.717 1.000 0.950 CB 1.279 21 residues pruned to eliminate duplicates Z: 17 23.699 1.864 0.768 0.926 0.938 0.875 CA 1.345 16 residues pruned to eliminate duplicates Z: 10 18.261 1.917 0.848 0.864 0.778 0.778 CA 1.619 10 residues pruned to eliminate duplicates Z: 28 23.494 2.241 1.039 0.251 0.926 0.667 CB 1.423 41 residues pruned to eliminate duplicates Z: 61 52.866 2.281 1.103 0.527 0.883 0.533 CB 1.568 61 residues pruned to eliminate duplicates Z: 77 59.719 2.356 1.040 0.542 0.895 0.553 CB 1.529 77 residues pruned to eliminate duplicates Z: 9 21.427 2.129 0.704 0.913 1.000 0.875 CA 1.479 9 residues pruned to eliminate duplicates Z: 10 25.037 2.144 0.608 0.859 1.000 0.667 CA 1.780 10 residues pruned to eliminate duplicates Z: 11 25.792 2.042 0.939 0.856 1.000 0.900 CA 1.519 10 residues pruned to eliminate duplicates Z: 17 20.539 1.877 0.553 0.915 0.938 0.875 CA 1.327 17 residues pruned to eliminate duplicates Z: 14 11.432 2.116 0.860 0.322 0.769 0.615 CB 1.274 14 residues pruned to eliminate duplicates Z: 10 17.555 2.054 0.494 0.884 0.889 0.556 CA 1.551 10 residues pruned to eliminate duplicates Z: 22 18.070 1.965 0.659 0.469 0.857 0.571 CB 1.457 6 residues pruned to eliminate duplicates Z: 32 37.895 2.218 1.153 0.571 0.871 0.548 CB 1.527 32 residues pruned to eliminate duplicates Z: 16 22.066 2.058 0.920 0.580 0.933 0.733 CB 1.430 22 residues pruned to eliminate duplicates Z: 13 19.734 2.116 0.573 0.849 0.917 0.750 CA 1.384 13 residues pruned to eliminate duplicates Z: 30 43.731 2.076 1.196 0.638 0.966 0.690 CB 1.621 30 residues pruned to eliminate duplicates Z: 11 23.073 2.090 0.825 0.817 1.000 0.900 CA 1.453 11 residues pruned to eliminate duplicates Z: 18 23.150 2.153 0.516 0.872 0.882 0.706 CA 1.420 18 residues pruned to eliminate duplicates Z: 28 36.151 2.113 1.059 0.622 0.926 0.630 CB 1.540 28 residues pruned to eliminate duplicates Z: 13 29.759 2.217 0.891 0.783 1.000 0.750 CA 1.597 13 residues pruned to eliminate duplicates Z: 30 34.980 2.156 1.098 0.480 0.931 0.586 CB 1.573 30 residues pruned to eliminate duplicates Z: 12 23.034 2.060 0.797 0.780 1.000 0.818 CA 1.465 12 residues pruned to eliminate duplicates Z: 12 22.572 2.033 0.777 0.779 1.000 0.636 CA 1.473 12 residues pruned to eliminate duplicates Z: 16 40.798 2.389 0.809 0.930 1.000 0.867 CA 1.705 16 residues pruned to eliminate duplicates Z: 6 10.516 1.733 0.645 0.817 1.000 0.800 CA 1.253 Z: 17 20.157 1.852 0.481 0.919 1.000 0.938 CA 1.295 17 residues pruned to eliminate duplicates Z: 17 30.187 2.291 0.604 0.913 0.938 0.875 CB 1.551 17 residues pruned to eliminate duplicates Z: 8 7.678 1.847 0.781 0.436 0.857 0.429 CA 1.099 8 residues pruned to eliminate duplicates Z: 8 9.030 1.816 1.020 0.317 0.857 0.571 CB 1.329 Z: 17 26.144 1.902 0.805 0.902 0.938 0.875 CA 1.448 17 residues pruned to eliminate duplicates Z: 12 13.616 1.901 0.469 0.667 0.909 0.818 CA 1.386 12 residues pruned to eliminate duplicates Z: 29 37.463 2.043 1.060 0.602 0.964 0.571 CB 1.583 29 residues pruned to eliminate duplicates Z: 13 23.288 2.343 0.432 0.918 0.833 0.833 CB 1.696 13 residues pruned to eliminate duplicates Z: 57 49.578 2.369 1.081 0.475 0.911 0.643 CB 1.513 57 residues pruned to eliminate duplicates Z: 28 46.159 2.346 1.365 0.581 0.926 0.444 CB 1.599 28 residues pruned to eliminate duplicates Z: 30 35.509 2.097 0.923 0.609 0.931 0.552 CB 1.583 14 residues pruned to eliminate duplicates Z: 14 32.911 2.201 1.016 0.928 1.000 0.846 CB 1.440 14 residues pruned to eliminate duplicates Z: 13 20.206 2.025 0.725 0.769 0.917 0.583 CB 1.436 13 residues pruned to eliminate duplicates Z: 13 19.332 2.074 0.693 0.741 0.833 0.583 CA 1.537 13 residues pruned to eliminate duplicates Z: 14 20.932 1.853 0.705 0.899 1.000 0.923 CB 1.314 Z: 29 36.117 2.161 1.018 0.623 0.893 0.643 CB 1.560 29 residues pruned to eliminate duplicates Z: 15 25.981 2.004 0.809 0.939 1.000 0.786 CB 1.331 Z: 90 64.522 2.265 1.007 0.526 0.921 0.618 CB 1.590 84 residues pruned to eliminate duplicates Z: 20 38.627 2.098 1.094 0.744 1.000 0.947 CB 1.622 20 residues pruned to eliminate duplicates Z: 11 17.996 2.097 0.805 0.726 0.800 0.600 CA 1.533 11 residues pruned to eliminate duplicates Z: 6 9.995 1.920 1.046 0.816 1.000 0.400 CA 0.865 6 residues pruned to eliminate duplicates Z: 30 34.538 2.148 0.959 0.606 0.966 0.724 CB 1.427 21 residues pruned to eliminate duplicates Z: 20 52.231 2.418 1.295 0.731 1.000 0.526 CB 1.755 30 residues pruned to eliminate duplicates Z: 9 16.236 2.043 0.753 0.774 0.875 0.625 CB 1.438 10 residues pruned to eliminate duplicates Z: 14 32.971 2.233 0.755 0.915 1.000 0.692 CA 1.650 14 residues pruned to eliminate duplicates Z: 86 65.034 2.224 1.118 0.578 0.929 0.624 CB 1.494 92 residues pruned to eliminate duplicates Z: 15 34.748 2.301 0.888 0.918 1.000 0.857 CA 1.508 15 residues pruned to eliminate duplicates Z: 74 32.484 1.969 0.699 0.454 0.890 0.644 CB 1.337 36 residues pruned to eliminate duplicates Z: 14 38.377 2.185 1.065 0.941 1.000 0.462 CB 1.638 14 residues pruned to eliminate duplicates Z: 32 50.853 2.260 1.070 0.586 0.968 0.645 CB 1.857 32 residues pruned to eliminate duplicates Z: 14 35.922 2.181 1.123 0.921 1.000 0.615 CB 1.514 14 residues pruned to eliminate duplicates Z: 47 29.316 1.905 0.755 0.446 0.935 0.565 CB 1.462 47 residues pruned to eliminate duplicates Z: 6 4.043 1.839 -0.220 0.619 1.000 0.800 CB 1.127 Z: 18 24.265 1.892 0.930 0.891 1.000 0.529 CB 1.159 18 residues pruned to eliminate duplicates Z: 120 63.377 2.268 0.888 0.475 0.891 0.563 CB 1.562 120 residues pruned to eliminate duplicates Z: 19 39.286 2.191 1.081 0.716 1.000 0.833 CB 1.670 19 residues pruned to eliminate duplicates Z: 13 9.723 1.781 0.964 0.401 0.833 0.583 CB 1.069 Z: 18 23.091 2.141 0.884 0.539 0.941 0.824 CB 1.419 18 residues pruned to eliminate duplicates Z: 12 20.870 2.025 0.697 0.805 1.000 1.000 CA 1.403 12 residues pruned to eliminate duplicates Z: 20 24.773 2.012 0.825 0.577 0.947 0.789 CB 1.518 20 residues pruned to eliminate duplicates Z: 23 16.473 2.134 0.601 0.425 0.818 0.591 CB 1.359 23 residues pruned to eliminate duplicates Z: 14 24.953 2.076 0.693 0.780 0.923 0.462 CA 1.667 14 residues pruned to eliminate duplicates Z: 8 11.049 1.970 0.858 0.498 0.714 0.571 CB 1.600 10 residues pruned to eliminate duplicates Z: 6 4.466 1.892 0.522 0.565 1.000 0.600 CB 0.652 6 residues pruned to eliminate duplicates Z: 19 14.816 1.944 0.656 0.554 0.889 0.556 CB 1.158 19 residues pruned to eliminate duplicates Z: 14 17.571 1.816 0.763 0.853 0.923 0.692 CB 1.219 14 residues pruned to eliminate duplicates Z: 12 21.181 2.053 0.753 0.779 1.000 0.636 CB 1.387 12 residues pruned to eliminate duplicates Z: 24 18.764 1.977 0.942 0.432 0.870 0.609 CB 1.258 24 residues pruned to eliminate duplicates Z: 19 20.527 2.149 0.478 0.532 0.944 0.500 CB 1.562 13 residues pruned to eliminate duplicates Z: 15 19.671 1.931 0.772 0.928 0.929 0.857 CB 1.159 15 residues pruned to eliminate duplicates Z: 93 62.050 2.271 0.889 0.537 0.924 0.576 CB 1.575 93 residues pruned to eliminate duplicates Z: 54 35.611 2.149 1.030 0.463 0.849 0.566 CB 1.372 62 residues pruned to eliminate duplicates Z: 51 29.043 1.950 0.799 0.451 0.920 0.580 CB 1.338 51 residues pruned to eliminate duplicates Z: 42 31.180 2.011 0.939 0.435 0.902 0.512 CB 1.480 42 residues pruned to eliminate duplicates Z: 19 35.495 2.180 1.050 0.659 0.944 0.722 CA 1.710 19 residues pruned to eliminate duplicates Z: 53 39.725 2.142 0.836 0.463 0.962 0.692 CB 1.513 53 residues pruned to eliminate duplicates Z: 27 22.150 1.900 0.702 0.492 0.962 0.846 CB 1.408 27 residues pruned to eliminate duplicates Z: 8 9.885 1.877 0.217 0.670 1.000 0.857 CB 1.398 Z: 15 23.911 2.008 0.644 0.918 1.000 0.929 CB 1.365 15 residues pruned to eliminate duplicates Z: 17 23.012 1.916 0.561 0.894 1.000 0.938 CA 1.380 17 residues pruned to eliminate duplicates Z: 12 16.953 1.982 0.996 0.629 0.818 0.818 CB 1.399 12 residues pruned to eliminate duplicates Z: 12 23.384 2.159 1.077 0.581 1.000 0.818 CB 1.454 12 residues pruned to eliminate duplicates Z: 8 9.857 1.795 0.773 0.566 1.000 0.429 CB 1.098 7 residues pruned to eliminate duplicates Z: 20 30.108 2.018 1.295 0.683 0.947 0.737 CB 1.331 20 residues pruned to eliminate duplicates Z: 43 34.598 2.085 0.869 0.599 0.929 0.595 CB 1.342 43 residues pruned to eliminate duplicates Z: 15 21.380 1.853 0.600 0.914 1.000 0.857 CB 1.363 15 residues pruned to eliminate duplicates Z: 16 29.078 1.967 1.025 0.907 0.933 0.867 CA 1.436 16 residues pruned to eliminate duplicates Z: 85 56.578 2.286 0.965 0.476 0.905 0.655 CB 1.555 85 residues pruned to eliminate duplicates Z: 28 37.270 2.102 0.819 0.631 1.000 0.519 CB 1.659 28 residues pruned to eliminate duplicates Z: 16 50.626 2.330 1.371 0.937 1.000 0.533 CB 1.647 16 residues pruned to eliminate duplicates Z: 10 18.271 1.932 1.010 0.772 0.778 0.556 CA 1.584 10 residues pruned to eliminate duplicates Z: 17 31.331 2.182 0.804 0.884 1.000 0.812 CB 1.437 17 residues pruned to eliminate duplicates Z: 25 23.407 2.095 0.913 0.493 0.875 0.708 CB 1.372 25 residues pruned to eliminate duplicates Z: 14 20.118 1.916 0.790 0.924 0.923 0.462 CB 1.238 14 residues pruned to eliminate duplicates Z: 12 15.375 2.001 0.732 0.637 0.909 0.818 CA 1.294 13 residues pruned to eliminate duplicates Z: 38 32.989 1.992 0.852 0.562 0.892 0.676 CA 1.551 37 residues pruned to eliminate duplicates Z: 12 23.871 2.014 0.865 0.804 1.000 0.636 CA 1.470 12 residues pruned to eliminate duplicates Z: 11 18.617 2.131 0.779 0.547 0.900 0.800 CB 1.649 11 residues pruned to eliminate duplicates Z: 54 36.401 1.945 0.861 0.603 0.906 0.528 CB 1.382 51 residues pruned to eliminate duplicates Z: 8 3.611 1.799 -0.242 0.544 0.857 0.714 CB 1.118 8 residues pruned to eliminate duplicates Z: 27 30.673 2.161 1.168 0.537 0.846 0.538 CB 1.463 27 residues pruned to eliminate duplicates Z: 8 4.894 1.843 0.222 0.441 0.857 0.571 CA 1.019 8 residues pruned to eliminate duplicates Z: 30 43.393 2.357 1.112 0.596 0.931 0.655 CB 1.587 21 residues pruned to eliminate duplicates Z: 10 17.885 1.995 0.757 0.887 0.889 0.667 CA 1.380 10 residues pruned to eliminate duplicates Z: 28 39.281 2.081 0.997 0.650 1.000 0.741 CB 1.582 29 residues pruned to eliminate duplicates Z: 39 26.958 2.241 0.887 0.349 0.842 0.526 CB 1.446 39 residues pruned to eliminate duplicates Z: 34 44.052 2.243 1.080 0.610 0.970 0.727 CA 1.527 30 residues pruned to eliminate duplicates Z: 27 25.241 2.209 1.115 0.272 0.923 0.500 CB 1.488 27 residues pruned to eliminate duplicates Z: 15 23.758 2.023 0.629 0.914 1.000 0.786 CB 1.363 15 residues pruned to eliminate duplicates Z: 32 18.651 1.804 0.546 0.531 0.903 0.645 CB 1.289 32 residues pruned to eliminate duplicates Z: 10 34.514 2.168 0.975 0.877 1.000 0.778 CB 1.952 17 residues pruned to eliminate duplicates Z: 11 9.885 1.859 0.427 0.478 0.900 0.500 CA 1.338 11 residues pruned to eliminate duplicates Z: 11 5.031 1.552 0.472 0.334 0.800 0.400 N 1.043 Z: 29 32.853 2.112 0.904 0.625 0.929 0.679 CB 1.478 29 residues pruned to eliminate duplicates Z: 75 51.026 2.214 0.802 0.559 0.905 0.703 CB 1.551 75 residues pruned to eliminate duplicates Z: 17 21.121 1.940 0.455 0.873 1.000 0.875 CA 1.362 17 residues pruned to eliminate duplicates Z: 137 80.892 2.272 1.034 0.525 0.949 0.618 CB 1.544 137 residues pruned to eliminate duplicates Z: 16 28.220 1.884 1.046 0.903 1.000 0.667 CB 1.347 16 residues pruned to eliminate duplicates Z: 9 14.697 2.183 1.150 0.426 0.875 0.750 CB 1.366 9 residues pruned to eliminate duplicates Z: 6 4.145 1.726 0.619 0.480 0.600 0.600 CB 1.128 Z: 14 32.972 2.209 1.200 0.924 0.923 0.615 CB 1.432 14 residues pruned to eliminate duplicates Z: 17 40.187 2.267 1.163 0.940 0.938 0.875 CB 1.517 17 residues pruned to eliminate duplicates Z: 28 36.413 2.225 0.827 0.593 0.889 0.556 CB 1.775 28 residues pruned to eliminate duplicates Z: 7 6.964 1.546 0.758 0.488 0.833 0.667 O 1.269 7 residues pruned to eliminate duplicates Z: 13 16.513 1.905 0.395 0.884 1.000 0.833 CB 1.296 13 residues pruned to eliminate duplicates Z: 12 14.346 1.898 0.512 0.657 1.000 0.818 CB 1.303 18 residues pruned to eliminate duplicates Z: 15 21.891 2.065 0.619 0.918 0.929 0.571 CB 1.329 15 residues pruned to eliminate duplicates Z: 15 23.124 1.839 0.763 0.919 1.000 0.857 CB 1.343 15 residues pruned to eliminate duplicates Z: 14 21.821 1.892 0.826 0.916 0.923 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 10 14.703 1.957 1.087 0.547 0.778 0.667 CB 1.474 Z: 16 19.612 1.938 0.661 0.897 1.000 0.800 CB 1.126 16 residues pruned to eliminate duplicates Z: 6 9.701 1.849 0.793 0.715 1.000 0.600 N 1.077 Z: 91 67.295 2.353 1.000 0.507 0.900 0.567 CB 1.663 91 residues pruned to eliminate duplicates Z: 9 6.379 1.796 0.640 0.466 0.750 0.500 CB 1.057 Z: 50 45.209 2.252 1.027 0.478 0.918 0.571 CB 1.576 50 residues pruned to eliminate duplicates Z: 10 8.269 1.747 0.541 0.670 0.778 0.667 CB 1.125 10 residues pruned to eliminate duplicates Z: 56 38.225 2.093 0.923 0.463 0.964 0.527 CB 1.380 58 residues pruned to eliminate duplicates Z: 9 20.515 1.953 0.834 0.720 1.000 0.875 CB 1.660 Z: 6 5.860 1.753 -0.175 0.724 1.000 0.800 CB 1.479 Z: 15 21.167 1.851 0.672 0.891 1.000 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 16 8.035 1.819 0.477 0.236 0.800 0.333 CB 1.312 16 residues pruned to eliminate duplicates Z: 16 23.130 2.022 0.667 0.928 0.933 0.933 CB 1.329 16 residues pruned to eliminate duplicates Z: 8 2.035 1.721 -0.048 0.311 0.571 0.429 CB 1.013 Z: 12 25.124 2.087 1.016 0.772 1.000 0.727 CB 1.415 12 residues pruned to eliminate duplicates Z: 15 20.915 1.848 0.744 0.900 0.929 0.643 CB 1.334 15 residues pruned to eliminate duplicates Z: 6 4.897 1.647 0.333 0.684 1.000 0.600 N 0.843 Z: 15 21.169 1.830 0.686 0.885 1.000 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 29 54.331 2.412 1.342 0.625 0.964 0.571 CB 1.676 29 residues pruned to eliminate duplicates Z: 16 26.210 1.945 0.805 0.908 1.000 0.733 CB 1.369 16 residues pruned to eliminate duplicates Z: 17 22.788 1.917 0.835 0.874 0.938 0.688 CB 1.258 17 residues pruned to eliminate duplicates Z: 35 25.027 2.010 0.718 0.493 0.971 0.676 CB 1.290 35 residues pruned to eliminate duplicates 7 1.776 1.212 0.427 0.279 0.833 0.333 CB 0.646 ? Z: 10 11.609 2.043 0.915 0.495 0.889 0.889 CB 1.118 10 residues pruned to eliminate duplicates Z: 15 17.883 1.812 0.544 0.877 1.000 0.643 CB 1.240 15 residues pruned to eliminate duplicates Z: 23 21.926 2.112 0.702 0.673 0.909 0.727 CB 1.219 23 residues pruned to eliminate duplicates Z: 9 19.117 2.093 0.824 0.825 0.875 0.875 CB 1.527 9 residues pruned to eliminate duplicates Z: 16 30.212 2.001 0.879 0.926 1.000 0.933 CA 1.455 16 residues pruned to eliminate duplicates Z: 55 27.227 1.828 0.795 0.466 0.907 0.667 CB 1.288 55 residues pruned to eliminate duplicates Z: 12 25.704 2.083 0.979 0.811 1.000 0.727 CB 1.434 12 residues pruned to eliminate duplicates Z: 12 20.659 1.841 0.935 0.869 0.909 0.636 CB 1.405 12 residues pruned to eliminate duplicates Z: 9 7.920 2.073 0.210 0.485 0.875 0.750 CB 1.295 4 residues pruned to eliminate duplicates Z: 19 11.956 1.796 0.783 0.252 0.889 0.556 CB 1.316 19 residues pruned to eliminate duplicates Z: 6 5.848 1.555 0.345 0.617 1.000 0.600 CA 1.120 Z: 13 21.073 1.998 0.807 0.780 1.000 0.667 CB 1.316 13 residues pruned to eliminate duplicates Z: 6 5.499 1.833 0.372 0.490 0.800 0.600 CB 1.235 6 residues pruned to eliminate duplicates Z: 29 23.109 1.836 0.911 0.594 0.929 0.643 CB 1.224 29 residues pruned to eliminate duplicates Z: 22 22.544 1.929 0.932 0.506 0.952 0.524 CB 1.378 32 residues pruned to eliminate duplicates Z: 47 42.371 2.199 1.022 0.490 0.891 0.609 CB 1.593 47 residues pruned to eliminate duplicates Z: 15 17.911 1.824 0.660 0.846 0.929 0.571 CB 1.264 15 residues pruned to eliminate duplicates Z: 31 25.438 2.071 0.658 0.600 0.900 0.667 CB 1.366 31 residues pruned to eliminate duplicates Z: 29 49.844 2.349 1.224 0.630 0.964 0.607 CA 1.654 29 residues pruned to eliminate duplicates Z: 29 35.108 2.360 1.200 0.389 0.929 0.643 CB 1.548 29 residues pruned to eliminate duplicates Z: 30 25.524 2.091 0.720 0.520 0.897 0.655 CB 1.441 30 residues pruned to eliminate duplicates Z: 13 4.363 1.788 0.223 0.215 0.667 0.333 CB 1.209 Z: 31 15.912 1.995 0.604 0.291 0.833 0.633 CB 1.378 31 residues pruned to eliminate duplicates Z: 14 33.231 2.210 1.165 0.931 0.923 0.462 CB 1.459 14 residues pruned to eliminate duplicates Z: 49 37.309 2.118 1.017 0.491 0.833 0.562 CB 1.526 49 residues pruned to eliminate duplicates Z: 115 58.894 2.203 1.028 0.462 0.860 0.570 CB 1.492 115 residues pruned to eliminate duplicates Z: 15 18.614 1.949 1.085 0.487 0.929 0.714 CB 1.335 Z: 17 25.037 1.935 1.004 0.914 0.938 0.750 CB 1.217 17 residues pruned to eliminate duplicates Z: 20 21.798 1.791 0.830 0.891 0.947 0.474 CB 1.158 20 residues pruned to eliminate duplicates Z: 27 33.068 2.015 1.039 0.711 0.923 0.615 CB 1.413 27 residues pruned to eliminate duplicates Z: 6 3.478 1.584 0.446 0.440 0.800 0.600 CB 0.903 Z: 16 17.675 1.681 0.507 0.885 1.000 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 10 8.654 1.636 1.091 0.483 0.778 0.667 N 1.103 Z: 26 26.109 2.050 0.935 0.464 0.920 0.480 CB 1.485 26 residues pruned to eliminate duplicates Z: 17 20.170 1.909 0.665 0.886 1.000 0.812 CB 1.145 17 residues pruned to eliminate duplicates Z: 15 21.696 2.007 0.508 0.924 1.000 1.000 CB 1.345 15 residues pruned to eliminate duplicates Z: 11 8.715 1.793 0.733 0.334 0.900 0.800 CB 1.181 11 residues pruned to eliminate duplicates Z: 9 21.545 2.289 1.048 0.517 1.000 0.500 CA 1.597 9 residues pruned to eliminate duplicates Z: 9 10.667 2.048 0.823 0.573 0.750 0.625 CB 1.256 9 residues pruned to eliminate duplicates Z: 39 21.177 2.011 0.737 0.462 0.842 0.342 CB 1.215 39 residues pruned to eliminate duplicates Z: 13 15.097 1.968 0.660 0.593 0.917 0.750 CB 1.331 13 residues pruned to eliminate duplicates Z: 6 7.942 1.818 0.385 0.630 0.800 0.400 CB 1.560 6 residues pruned to eliminate duplicates Z: 24 42.944 2.430 1.027 0.642 0.957 0.783 CB 1.664 24 residues pruned to eliminate duplicates Z: 18 19.518 1.890 0.474 0.831 1.000 0.882 CB 1.276 18 residues pruned to eliminate duplicates Z: 11 4.252 1.813 1.131 0.268 0.600 0.400 CB 0.755 11 residues pruned to eliminate duplicates Z: 12 21.200 2.267 1.187 0.390 0.909 0.636 CA 1.594 12 residues pruned to eliminate duplicates Z: 10 5.238 1.667 0.138 0.494 0.778 0.556 CB 1.191 Z: 11 16.122 1.795 0.841 0.919 0.800 0.700 CA 1.359 10 residues pruned to eliminate duplicates Z: 14 15.383 2.175 1.007 0.264 0.923 0.692 CB 1.386 14 residues pruned to eliminate duplicates Z: 12 8.096 1.754 0.172 0.411 0.909 0.545 C 1.434 8 residues pruned to eliminate duplicates Z: 15 25.589 1.824 1.050 0.932 1.000 0.786 CB 1.278 15 residues pruned to eliminate duplicates Z: 30 27.966 1.990 0.686 0.594 0.931 0.655 CB 1.519 30 residues pruned to eliminate duplicates Z: 7 2.147 1.587 0.047 0.326 0.667 0.333 CB 0.958 Z: 25 45.666 2.284 1.133 0.622 1.000 0.708 CB 1.706 25 residues pruned to eliminate duplicates Z: 12 5.086 1.643 0.698 0.426 0.909 0.636 CB 0.654 Z: 14 22.830 2.049 0.687 0.842 1.000 0.846 CA 1.364 14 residues pruned to eliminate duplicates Z: 23 32.371 2.085 1.122 0.585 0.909 0.682 CA 1.581 23 residues pruned to eliminate duplicates Z: 38 48.395 2.263 1.048 0.573 1.000 0.649 CB 1.600 38 residues pruned to eliminate duplicates Z: 6 8.904 1.524 0.660 0.710 1.000 0.400 O 1.301 6 residues pruned to eliminate duplicates Z: 6 8.952 1.786 0.502 0.691 1.000 0.800 CB 1.253 6 residues pruned to eliminate duplicates Z: 16 27.918 1.943 0.970 0.902 0.933 0.867 CA 1.439 16 residues pruned to eliminate duplicates Z: 9 3.423 1.464 0.744 0.341 0.750 0.250 CB 0.752 Z: 14 15.653 1.950 0.376 0.572 1.000 0.615 CB 1.509 14 residues pruned to eliminate duplicates Z: 30 25.466 2.003 0.691 0.621 0.897 0.621 CB 1.389 30 residues pruned to eliminate duplicates Z: 15 14.893 1.855 0.534 0.551 1.000 0.643 CB 1.331 15 residues pruned to eliminate duplicates Z: 10 9.789 1.904 0.129 0.583 1.000 0.667 CB 1.402 6 residues pruned to eliminate duplicates Z: 21 36.687 2.294 1.006 0.681 0.950 0.750 CB 1.588 21 residues pruned to eliminate duplicates Z: 14 15.135 1.846 0.461 0.903 0.846 0.846 CB 1.311 14 residues pruned to eliminate duplicates Z: 16 15.544 1.966 0.390 0.581 0.933 0.600 CB 1.455 16 residues pruned to eliminate duplicates Z: 73 56.998 2.187 1.011 0.553 0.944 0.722 CB 1.536 73 residues pruned to eliminate duplicates Z: 49 30.347 1.832 0.851 0.512 0.938 0.479 CB 1.362 49 residues pruned to eliminate duplicates Z: 13 17.267 1.843 0.616 0.903 1.000 0.667 CB 1.193 13 residues pruned to eliminate duplicates Z: 43 24.587 1.840 0.875 0.477 0.881 0.667 CB 1.278 43 residues pruned to eliminate duplicates Z: 7 11.250 1.930 0.544 0.515 1.000 0.833 CB 1.518 7 residues pruned to eliminate duplicates Z: 38 20.593 1.824 0.859 0.500 0.811 0.459 CB 1.231 38 residues pruned to eliminate duplicates Z: 7 10.610 1.853 0.661 0.679 0.833 0.667 CB 1.432 7 residues pruned to eliminate duplicates Z: 22 26.207 2.172 0.941 0.573 0.952 0.667 CB 1.327 22 residues pruned to eliminate duplicates Z: 13 19.246 1.794 0.567 0.927 1.000 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 55 53.560 2.299 1.125 0.499 0.926 0.667 CB 1.612 55 residues pruned to eliminate duplicates Z: 15 25.079 1.851 0.994 0.923 1.000 0.571 CB 1.276 15 residues pruned to eliminate duplicates Z: 59 48.458 2.179 0.902 0.591 0.931 0.621 CB 1.511 114 residues pruned to eliminate duplicates Z: 6 3.590 1.447 0.718 0.855 1.000 1.000 CA 0.476 Z: 11 8.421 1.959 0.951 0.393 0.600 0.500 CB 1.301 11 residues pruned to eliminate duplicates Z: 20 36.006 2.077 1.015 0.688 1.000 0.895 CB 1.661 20 residues pruned to eliminate duplicates Z: 7 2.598 1.455 0.367 0.438 0.667 0.333 CB 0.852 Z: 14 31.743 2.182 0.866 0.934 1.000 0.846 CA 1.508 14 residues pruned to eliminate duplicates Z: 6 2.086 1.691 0.052 0.330 0.600 0.600 CB 1.054 Z: 14 34.532 2.210 1.126 0.940 0.923 0.538 CB 1.533 14 residues pruned to eliminate duplicates Z: 7 3.540 1.518 0.599 0.380 0.667 0.333 N 1.015 Z: 15 23.572 1.946 0.867 0.937 1.000 0.786 CB 1.207 15 residues pruned to eliminate duplicates Z: 9 8.303 1.975 0.787 0.456 0.875 0.625 CB 0.994 Z: 16 29.784 1.981 0.932 0.934 0.933 0.733 CA 1.502 16 residues pruned to eliminate duplicates Z: 27 22.650 1.996 0.882 0.631 0.846 0.462 CB 1.235 27 residues pruned to eliminate duplicates Z: 14 14.306 1.959 0.405 0.780 0.769 0.231 CB 1.464 14 residues pruned to eliminate duplicates Z: 6 3.091 1.267 0.854 0.285 0.800 0.600 CA 0.937 6 residues pruned to eliminate duplicates Z: 9 13.183 1.874 1.069 0.719 0.750 0.625 CB 1.315 9 residues pruned to eliminate duplicates Z: 7 3.229 1.295 0.569 0.729 0.833 0.667 N 0.634 Z: 41 55.887 2.395 1.036 0.591 0.925 0.650 CB 1.796 41 residues pruned to eliminate duplicates Z: 53 38.374 1.936 0.831 0.631 0.923 0.750 CB 1.437 53 residues pruned to eliminate duplicates Z: 104 43.837 1.985 0.727 0.522 0.913 0.592 CB 1.351 105 residues pruned to eliminate duplicates Z: 20 15.173 1.974 0.753 0.357 0.789 0.526 CB 1.486 6 1.456 1.313 0.549 0.389 0.800 0.400 CB 0.450 ? Z: 17 22.896 2.178 0.318 0.905 0.938 0.812 CA 1.513 17 residues pruned to eliminate duplicates Z: 8 14.527 2.213 0.721 0.529 0.857 0.714 CA 1.635 8 residues pruned to eliminate duplicates Z: 16 14.555 1.923 0.466 0.527 1.000 0.400 CB 1.298 16 residues pruned to eliminate duplicates Z: 19 13.847 2.069 1.038 0.259 0.778 0.611 CB 1.311 19 residues pruned to eliminate duplicates Z: 19 40.382 2.167 1.099 0.788 1.000 0.889 CB 1.624 19 residues pruned to eliminate duplicates Z: 12 19.351 2.076 0.902 0.747 0.818 0.636 CB 1.448 Z: 12 7.603 1.532 0.577 0.488 0.909 0.636 CA 1.057 Z: 26 17.893 1.904 0.797 0.471 0.840 0.520 CB 1.282 26 residues pruned to eliminate duplicates Z: 10 21.173 1.926 0.932 0.862 1.000 0.556 CB 1.393 10 residues pruned to eliminate duplicates Z: 15 27.954 2.301 0.371 0.933 1.000 1.000 CA 1.652 15 residues pruned to eliminate duplicates Z: 17 19.148 2.183 0.276 0.873 0.875 0.812 CB 1.431 17 residues pruned to eliminate duplicates Z: 6 2.994 1.628 0.043 0.353 1.000 0.400 CB 0.924 Z: 9 11.177 1.790 1.020 0.360 1.000 0.750 CB 1.271 9 residues pruned to eliminate duplicates Z: 10 4.952 1.931 0.314 0.268 0.667 0.556 CB 1.270 10 residues pruned to eliminate duplicates Z: 27 27.591 1.996 0.711 0.598 1.000 0.808 CB 1.442 27 residues pruned to eliminate duplicates Z: 18 35.109 2.260 1.232 0.657 1.000 0.412 CA 1.458 18 residues pruned to eliminate duplicates Z: 16 32.414 1.967 1.172 0.949 0.933 0.267 CB 1.449 16 residues pruned to eliminate duplicates Z: 30 35.078 2.029 0.847 0.560 1.000 0.552 CB 1.640 36 residues pruned to eliminate duplicates Z: 10 2.479 1.692 0.936 0.154 0.556 0.333 CB 0.694 10 residues pruned to eliminate duplicates Z: 6 2.593 1.271 0.747 0.298 0.800 0.400 N 0.818 Z: 11 19.324 2.015 0.742 0.778 0.800 0.700 CB 1.703 11 residues pruned to eliminate duplicates Z: 28 32.360 2.131 1.021 0.582 0.926 0.593 CB 1.444 28 residues pruned to eliminate duplicates Z: 6 3.765 1.742 0.009 0.444 1.000 0.600 CB 1.015 5 residues pruned to eliminate duplicates Z: 33 35.938 2.001 1.192 0.619 0.906 0.688 CB 1.428 33 residues pruned to eliminate duplicates Z: 8 16.535 2.012 0.682 0.870 1.000 0.857 CA 1.348 8 residues pruned to eliminate duplicates 353 residues left after pruning, divided into chains as follows: A: 6 B: 6 C: 11 D: 113 E: 152 F: 25 G: 34 H: 6 CC for partial structure against native data = 34.98 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.585, Connect. = 0.703 for dens.mod. cycle 1 = 0.300, Contrast = 0.695, Connect. = 0.740 for dens.mod. cycle 2 = 0.300, Contrast = 0.846, Connect. = 0.774 for dens.mod. cycle 3 = 0.300, Contrast = 0.876, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.899, Connect. = 0.782 for dens.mod. cycle 5 = 0.300, Contrast = 0.910, Connect. = 0.784 for dens.mod. cycle 6 = 0.300, Contrast = 0.918, Connect. = 0.786 for dens.mod. cycle 7 = 0.300, Contrast = 0.922, Connect. = 0.787 for dens.mod. cycle 8 = 0.300, Contrast = 0.925, Connect. = 0.787 for dens.mod. cycle 9 = 0.300, Contrast = 0.926, Connect. = 0.788 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2007 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 451 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 38.257 2.428 0.779 0.908 1.000 0.857 CA 1.681 B: 9 25.068 2.314 0.651 0.841 1.000 0.625 CB 1.730 C: 16 32.720 2.347 0.795 0.850 0.933 0.867 CA 1.591 16 residues pruned to eliminate duplicates D: 17 34.582 2.465 0.628 0.785 1.000 0.812 CA 1.677 17 residues pruned to eliminate duplicates E: 17 37.003 2.335 1.006 0.897 0.938 0.812 CB 1.507 F: 16 40.662 2.372 0.879 0.913 1.000 0.933 CA 1.667 15 residues pruned to eliminate duplicates G: 16 40.496 2.322 1.047 0.928 1.000 0.867 CB 1.541 16 residues pruned to eliminate duplicates H: 10 20.523 1.996 0.809 0.846 0.889 0.667 CA 1.584 9 residues pruned to eliminate duplicates I: 85 69.563 2.434 0.983 0.519 0.905 0.607 CB 1.706 17 residues pruned to eliminate duplicates J: 9 22.155 2.222 0.612 0.832 1.000 1.000 CA 1.642 9 residues pruned to eliminate duplicates K: 16 31.931 2.337 0.752 0.880 0.867 0.733 CB 1.684 16 residues pruned to eliminate duplicates L: 15 44.299 2.435 1.296 0.942 0.929 0.786 CA 1.582 17 residues pruned to eliminate duplicates M: 11 21.561 2.235 0.493 0.900 1.000 0.800 CA 1.459 N: 15 30.817 2.213 0.563 0.930 1.000 0.857 CA 1.664 11 residues pruned to eliminate duplicates O: 47 54.136 2.429 1.033 0.582 0.870 0.630 CB 1.719 44 residues pruned to eliminate duplicates P: 17 32.686 2.360 0.649 0.902 0.938 0.750 CA 1.598 17 residues pruned to eliminate duplicates Q: 10 17.554 1.971 0.843 0.796 0.778 0.556 CA 1.598 R: 16 43.440 2.428 1.092 0.933 0.933 0.600 CB 1.652 16 residues pruned to eliminate duplicates S: 13 40.502 2.582 0.856 0.927 0.917 0.833 CA 1.865 13 residues pruned to eliminate duplicates T: 16 35.933 2.394 0.691 0.925 0.933 0.733 CA 1.723 16 residues pruned to eliminate duplicates U: 89 70.238 2.431 0.918 0.509 0.932 0.591 CB 1.708 88 residues pruned to eliminate duplicates V: 86 73.533 2.397 0.949 0.560 0.941 0.588 CB 1.711 85 residues pruned to eliminate duplicates W: 6 10.038 2.105 0.935 0.504 0.800 0.800 CB 1.372 6 residues pruned to eliminate duplicates X: 58 55.824 2.409 0.988 0.507 0.895 0.614 CB 1.713 59 residues pruned to eliminate duplicates Y: 137 74.016 2.299 0.847 0.502 0.919 0.632 CB 1.622 88 residues pruned to eliminate duplicates Z: 59 56.168 2.426 0.947 0.526 0.914 0.517 CB 1.665 59 residues pruned to eliminate duplicates Z: 14 21.428 2.019 0.719 0.740 0.923 0.769 CA 1.497 14 residues pruned to eliminate duplicates Z: 8 16.927 2.252 0.869 0.800 0.714 0.429 CB 1.637 8 residues pruned to eliminate duplicates Z: 10 17.948 2.097 0.583 0.788 0.889 0.667 CB 1.574 8 residues pruned to eliminate duplicates Z: 29 50.043 2.511 1.162 0.630 0.893 0.607 CB 1.727 19 residues pruned to eliminate duplicates Z: 8 10.268 2.179 0.876 0.539 0.857 0.571 CB 1.066 Z: 28 39.394 2.153 0.964 0.620 0.963 0.704 CB 1.663 Z: 38 61.856 2.466 1.022 0.694 0.946 0.595 CB 1.806 38 residues pruned to eliminate duplicates Z: 17 45.055 2.327 1.197 0.893 1.000 0.375 CB 1.581 17 residues pruned to eliminate duplicates Z: 12 23.014 2.090 1.055 0.697 0.909 0.818 CB 1.485 Z: 15 29.703 2.433 0.557 0.946 0.929 0.929 CA 1.561 14 residues pruned to eliminate duplicates Z: 11 21.878 2.300 0.500 0.796 0.900 0.800 CB 1.719 11 residues pruned to eliminate duplicates Z: 13 37.603 2.446 0.954 0.930 0.917 0.750 CB 1.733 13 residues pruned to eliminate duplicates Z: 14 21.587 1.910 1.038 0.681 1.000 0.692 CB 1.302 13 residues pruned to eliminate duplicates Z: 24 20.056 2.049 0.709 0.485 0.826 0.652 CB 1.468 Z: 37 50.456 2.328 0.952 0.569 0.972 0.583 CB 1.781 37 residues pruned to eliminate duplicates Z: 16 31.747 2.084 0.733 0.922 1.000 0.867 CB 1.596 16 residues pruned to eliminate duplicates Z: 56 51.365 2.416 1.051 0.508 0.855 0.655 CB 1.623 56 residues pruned to eliminate duplicates Z: 15 50.414 2.476 1.236 0.909 1.000 0.500 CA 1.727 16 residues pruned to eliminate duplicates Z: 29 34.935 2.106 0.940 0.580 0.929 0.607 CB 1.611 29 residues pruned to eliminate duplicates Z: 16 46.045 2.327 1.306 0.874 0.933 0.467 CB 1.727 16 residues pruned to eliminate duplicates Z: 37 44.164 2.331 0.957 0.529 0.889 0.639 CB 1.765 37 residues pruned to eliminate duplicates Z: 14 22.529 2.109 0.537 0.764 1.000 0.846 CA 1.526 14 residues pruned to eliminate duplicates Z: 9 18.359 2.083 0.674 0.798 0.875 0.625 CB 1.640 9 residues pruned to eliminate duplicates Z: 56 48.210 2.286 1.136 0.439 0.891 0.582 CB 1.591 56 residues pruned to eliminate duplicates Z: 17 35.129 2.353 0.797 0.914 0.938 0.688 CB 1.566 17 residues pruned to eliminate duplicates Z: 18 33.412 2.234 0.575 0.910 1.000 0.765 CA 1.633 18 residues pruned to eliminate duplicates Z: 14 24.032 2.103 0.716 0.786 0.923 0.846 CB 1.556 14 residues pruned to eliminate duplicates Z: 15 42.029 2.448 1.118 0.893 1.000 0.500 CB 1.555 15 residues pruned to eliminate duplicates Z: 6 16.716 2.086 0.912 0.775 1.000 0.800 CB 1.470 6 residues pruned to eliminate duplicates Z: 16 32.136 2.306 0.687 0.902 0.933 0.800 CA 1.631 16 residues pruned to eliminate duplicates Z: 7 6.258 1.784 0.328 0.589 0.667 0.667 CA 1.485 7 residues pruned to eliminate duplicates Z: 16 18.063 1.898 0.448 0.924 0.933 0.867 CA 1.277 16 residues pruned to eliminate duplicates Z: 18 24.984 2.163 0.381 0.902 0.941 0.824 CA 1.537 18 residues pruned to eliminate duplicates Z: 12 20.524 2.086 0.796 0.771 1.000 0.727 CB 1.300 12 residues pruned to eliminate duplicates Z: 28 22.472 2.174 0.972 0.275 0.889 0.630 CB 1.466 28 residues pruned to eliminate duplicates Z: 14 19.058 2.108 0.856 0.623 1.000 0.769 CB 1.203 16 residues pruned to eliminate duplicates Z: 8 2.126 1.706 -0.220 0.449 1.000 0.429 CB 0.637 Z: 17 28.380 1.922 0.815 0.920 1.000 1.000 CA 1.432 17 residues pruned to eliminate duplicates Z: 21 45.292 2.388 1.085 0.693 1.000 0.600 CA 1.705 21 residues pruned to eliminate duplicates Z: 8 12.742 1.841 0.800 0.763 1.000 0.714 CB 1.151 8 residues pruned to eliminate duplicates Z: 28 42.232 2.181 0.984 0.643 1.000 0.704 CB 1.643 31 residues pruned to eliminate duplicates Z: 12 19.794 2.048 0.463 0.867 1.000 0.636 CA 1.457 12 residues pruned to eliminate duplicates Z: 7 3.537 2.122 -0.255 0.510 0.833 0.500 CB 1.086 Z: 18 40.172 2.242 0.997 0.921 0.941 0.706 CB 1.627 18 residues pruned to eliminate duplicates Z: 71 47.524 2.291 0.871 0.490 0.871 0.571 CB 1.536 71 residues pruned to eliminate duplicates Z: 101 60.614 2.295 0.713 0.500 0.940 0.640 CB 1.639 101 residues pruned to eliminate duplicates Z: 15 27.147 2.413 0.516 0.893 0.857 0.857 CA 1.662 15 residues pruned to eliminate duplicates Z: 15 31.186 2.128 0.768 0.896 1.000 0.857 CA 1.587 15 residues pruned to eliminate duplicates Z: 28 43.004 2.177 1.029 0.634 1.000 0.593 CB 1.653 28 residues pruned to eliminate duplicates Z: 29 47.642 2.422 1.099 0.616 0.929 0.500 CB 1.709 29 residues pruned to eliminate duplicates Z: 17 27.960 1.939 0.936 0.906 0.938 0.812 CA 1.413 17 residues pruned to eliminate duplicates Z: 14 35.006 2.352 0.758 0.918 1.000 0.846 CA 1.657 15 residues pruned to eliminate duplicates Z: 14 26.329 2.042 0.698 0.795 1.000 0.692 CB 1.627 14 residues pruned to eliminate duplicates Z: 18 14.545 2.013 0.680 0.434 0.882 0.529 CB 1.265 18 residues pruned to eliminate duplicates Z: 16 23.792 2.410 0.188 0.928 0.933 0.933 CA 1.610 16 residues pruned to eliminate duplicates Z: 6 8.671 1.734 0.643 0.788 0.800 0.800 CA 1.321 6 residues pruned to eliminate duplicates Z: 12 28.645 2.249 0.845 0.766 0.909 0.818 CB 1.809 12 residues pruned to eliminate duplicates Z: 6 10.773 2.259 -0.053 0.849 1.000 1.000 CA 1.669 6 residues pruned to eliminate duplicates Z: 40 53.730 2.400 1.033 0.647 0.949 0.564 CB 1.621 40 residues pruned to eliminate duplicates Z: 54 25.462 2.005 0.492 0.469 0.906 0.642 CB 1.332 Z: 17 36.894 2.358 0.862 0.931 0.938 0.500 CB 1.566 17 residues pruned to eliminate duplicates Z: 22 18.012 2.002 0.578 0.509 0.952 0.714 CB 1.295 22 residues pruned to eliminate duplicates Z: 62 62.242 2.352 0.992 0.542 0.951 0.541 CB 1.716 86 residues pruned to eliminate duplicates Z: 11 20.731 1.847 0.846 0.825 1.000 0.900 CA 1.450 11 residues pruned to eliminate duplicates Z: 27 42.519 2.369 1.152 0.586 0.923 0.385 CB 1.631 Z: 14 8.875 1.735 0.905 0.418 0.769 0.538 CB 1.055 14 residues pruned to eliminate duplicates Z: 28 19.815 1.961 0.629 0.488 0.889 0.593 CB 1.359 13 residues pruned to eliminate duplicates Z: 15 36.137 2.225 0.980 0.906 1.000 0.571 CB 1.559 15 residues pruned to eliminate duplicates Z: 15 31.488 2.465 0.475 0.920 0.929 0.857 CB 1.755 15 residues pruned to eliminate duplicates Z: 7 6.358 2.126 0.499 0.301 0.667 0.667 CB 1.525 7 residues pruned to eliminate duplicates Z: 6 4.274 1.324 0.476 0.690 0.800 0.400 O 1.027 6 residues pruned to eliminate duplicates Z: 15 17.748 1.998 1.023 0.568 0.857 0.714 CB 1.281 15 residues pruned to eliminate duplicates Z: 16 20.114 2.063 0.451 0.881 0.933 0.600 CB 1.346 17 residues pruned to eliminate duplicates Z: 15 25.902 2.053 0.546 0.916 1.000 0.857 CB 1.540 15 residues pruned to eliminate duplicates Z: 53 43.656 2.161 0.932 0.459 0.942 0.558 CB 1.604 53 residues pruned to eliminate duplicates Z: 28 36.523 2.136 0.898 0.612 0.963 0.741 CB 1.619 28 residues pruned to eliminate duplicates Z: 95 70.968 2.385 0.994 0.500 0.915 0.574 CB 1.683 95 residues pruned to eliminate duplicates Z: 10 24.913 2.209 0.839 0.872 1.000 0.889 CB 1.490 10 residues pruned to eliminate duplicates Z: 17 25.021 2.012 0.796 0.878 0.938 0.562 CB 1.340 17 residues pruned to eliminate duplicates Z: 10 31.602 2.265 0.913 0.894 1.000 0.889 CB 1.745 10 residues pruned to eliminate duplicates Z: 27 21.640 1.894 0.525 0.622 0.962 0.692 CB 1.362 27 residues pruned to eliminate duplicates Z: 13 6.072 1.923 0.398 0.368 0.750 0.417 CB 1.002 Z: 11 17.094 1.686 0.709 0.846 0.900 0.700 O 1.548 11 residues pruned to eliminate duplicates Z: 23 11.267 1.910 0.778 0.308 0.773 0.591 CB 1.133 24 residues pruned to eliminate duplicates Z: 56 38.056 2.126 0.812 0.441 0.945 0.655 CB 1.497 56 residues pruned to eliminate duplicates Z: 48 28.199 2.030 0.747 0.451 0.894 0.426 CB 1.365 48 residues pruned to eliminate duplicates Z: 16 22.781 2.170 0.842 0.599 0.933 0.667 CB 1.434 Z: 14 32.102 2.327 0.933 0.925 0.923 0.615 CB 1.505 14 residues pruned to eliminate duplicates Z: 57 56.576 2.420 1.110 0.508 0.893 0.554 CB 1.646 57 residues pruned to eliminate duplicates Z: 11 19.723 1.896 0.907 0.738 1.000 0.900 CA 1.393 10 residues pruned to eliminate duplicates Z: 10 13.595 1.964 0.945 0.593 0.889 0.667 CA 1.221 10 residues pruned to eliminate duplicates Z: 8 17.093 2.101 0.786 0.847 0.857 0.714 CB 1.490 8 residues pruned to eliminate duplicates Z: 51 32.215 2.129 0.660 0.545 0.920 0.720 CB 1.340 48 residues pruned to eliminate duplicates Z: 15 36.758 2.207 0.910 0.942 1.000 0.786 CA 1.616 14 residues pruned to eliminate duplicates Z: 15 24.939 2.008 0.844 0.915 0.857 0.714 CA 1.484 15 residues pruned to eliminate duplicates Z: 8 18.206 2.142 0.672 0.590 1.000 0.714 CA 1.762 8 residues pruned to eliminate duplicates Z: 19 31.443 2.112 0.859 0.678 1.000 0.833 CB 1.601 20 residues pruned to eliminate duplicates Z: 13 12.323 2.049 1.146 0.338 0.833 0.583 CB 1.158 13 residues pruned to eliminate duplicates Z: 11 16.838 2.112 0.369 0.778 0.900 0.500 CA 1.602 11 residues pruned to eliminate duplicates Z: 27 39.967 2.217 0.950 0.648 0.923 0.577 CB 1.711 15 residues pruned to eliminate duplicates Z: 17 23.022 2.108 0.765 0.507 0.938 0.688 CB 1.638 16 residues pruned to eliminate duplicates Z: 8 9.846 2.039 0.875 0.444 0.714 0.571 CA 1.444 8 residues pruned to eliminate duplicates Z: 54 43.231 2.193 0.958 0.463 0.943 0.604 CB 1.522 54 residues pruned to eliminate duplicates Z: 15 20.410 1.891 0.519 0.906 1.000 0.714 CB 1.350 4 residues pruned to eliminate duplicates Z: 65 48.964 2.355 0.739 0.509 0.891 0.656 CB 1.662 65 residues pruned to eliminate duplicates Z: 6 5.950 1.816 0.365 0.343 0.800 0.400 CB 1.592 7 residues pruned to eliminate duplicates Z: 14 15.576 1.951 0.639 0.741 0.923 0.692 CA 1.179 14 residues pruned to eliminate duplicates Z: 13 16.874 2.023 0.653 0.776 0.917 0.417 CB 1.246 13 residues pruned to eliminate duplicates Z: 8 5.430 1.873 0.320 0.462 0.714 0.571 CB 1.208 7 residues pruned to eliminate duplicates Z: 17 22.360 2.004 0.693 0.907 1.000 0.750 CB 1.171 17 residues pruned to eliminate duplicates Z: 15 10.787 1.935 0.602 0.264 0.857 0.643 CB 1.421 15 residues pruned to eliminate duplicates Z: 9 10.403 1.991 0.655 0.459 0.875 0.625 CA 1.331 9 residues pruned to eliminate duplicates Z: 18 20.924 1.965 0.619 0.886 0.941 0.941 CB 1.223 18 residues pruned to eliminate duplicates Z: 12 17.248 1.919 0.974 0.689 0.818 0.636 CB 1.412 12 residues pruned to eliminate duplicates Z: 27 27.158 1.978 0.907 0.611 0.885 0.692 CB 1.437 27 residues pruned to eliminate duplicates Z: 17 28.888 1.907 0.841 0.904 1.000 0.750 CA 1.465 17 residues pruned to eliminate duplicates Z: 32 46.623 2.345 0.952 0.580 0.935 0.613 CB 1.811 32 residues pruned to eliminate duplicates Z: 12 20.606 2.143 0.931 0.728 0.909 0.727 CB 1.344 12 residues pruned to eliminate duplicates Z: 14 18.991 1.944 0.664 0.780 1.000 0.615 CB 1.272 14 residues pruned to eliminate duplicates Z: 20 24.617 2.096 0.559 0.681 1.000 0.842 CA 1.463 20 residues pruned to eliminate duplicates Z: 9 13.226 2.009 0.772 0.560 0.875 0.500 CA 1.416 9 residues pruned to eliminate duplicates Z: 6 14.096 2.077 0.997 0.804 1.000 0.800 CA 1.166 6 residues pruned to eliminate duplicates Z: 30 24.447 2.250 0.919 0.259 0.862 0.655 CB 1.608 30 residues pruned to eliminate duplicates Z: 21 15.475 2.077 0.673 0.401 0.850 0.600 CB 1.301 21 residues pruned to eliminate duplicates Z: 11 5.382 1.787 0.315 0.558 0.900 0.600 CB 0.760 11 residues pruned to eliminate duplicates Z: 15 9.082 1.921 0.620 0.222 0.786 0.429 CB 1.375 15 residues pruned to eliminate duplicates Z: 89 37.097 1.989 0.660 0.503 0.920 0.602 CB 1.297 88 residues pruned to eliminate duplicates Z: 52 52.362 2.444 0.885 0.543 0.902 0.667 CB 1.691 52 residues pruned to eliminate duplicates Z: 88 58.344 2.375 0.947 0.460 0.874 0.483 CB 1.613 88 residues pruned to eliminate duplicates Z: 88 34.293 2.024 0.473 0.519 0.885 0.667 CB 1.367 90 residues pruned to eliminate duplicates Z: 15 20.705 1.871 0.593 0.945 1.000 0.857 CB 1.285 16 residues pruned to eliminate duplicates Z: 28 34.821 2.170 0.850 0.633 0.889 0.481 CA 1.657 28 residues pruned to eliminate duplicates Z: 32 31.487 2.028 0.746 0.584 0.935 0.581 CA 1.575 32 residues pruned to eliminate duplicates Z: 31 26.609 2.009 0.645 0.637 0.900 0.667 CA 1.437 30 residues pruned to eliminate duplicates Z: 34 29.017 1.996 0.837 0.566 0.879 0.636 CB 1.469 34 residues pruned to eliminate duplicates Z: 6 3.870 1.581 0.154 0.607 0.800 0.800 CA 1.072 6 residues pruned to eliminate duplicates Z: 23 21.151 1.926 0.965 0.642 0.909 0.773 CB 1.148 14 residues pruned to eliminate duplicates Z: 24 38.191 2.383 0.932 0.650 0.957 0.478 CB 1.572 24 residues pruned to eliminate duplicates Z: 19 16.288 2.014 0.748 0.462 0.778 0.389 CB 1.457 19 residues pruned to eliminate duplicates Z: 11 17.454 2.124 0.537 0.771 1.000 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 40 30.544 2.100 0.700 0.612 0.923 0.615 CB 1.335 40 residues pruned to eliminate duplicates Z: 10 23.966 2.297 0.462 0.882 1.000 0.889 CB 1.721 10 residues pruned to eliminate duplicates Z: 16 47.519 2.460 1.113 0.935 0.933 0.800 CB 1.763 16 residues pruned to eliminate duplicates Z: 16 20.744 2.046 0.429 0.921 0.933 0.867 CB 1.382 16 residues pruned to eliminate duplicates Z: 40 65.726 2.537 1.145 0.631 0.949 0.538 CB 1.804 40 residues pruned to eliminate duplicates Z: 16 19.756 2.029 0.237 0.923 1.000 0.867 CB 1.428 16 residues pruned to eliminate duplicates Z: 16 22.206 2.033 0.616 0.902 0.933 0.667 CB 1.334 16 residues pruned to eliminate duplicates Z: 6 9.020 1.816 0.257 0.878 1.000 0.800 CA 1.283 6 residues pruned to eliminate duplicates Z: 16 21.749 2.308 0.212 0.903 0.933 0.867 CA 1.533 16 residues pruned to eliminate duplicates Z: 90 70.894 2.409 0.912 0.516 0.944 0.562 CB 1.702 90 residues pruned to eliminate duplicates Z: 19 8.545 1.822 0.467 0.283 0.833 0.444 CB 1.155 19 residues pruned to eliminate duplicates Z: 11 19.649 1.925 1.134 0.638 1.000 1.000 CB 1.328 11 residues pruned to eliminate duplicates Z: 28 44.025 2.203 0.989 0.646 1.000 0.704 CB 1.688 28 residues pruned to eliminate duplicates Z: 17 18.125 1.923 0.511 0.892 0.938 0.750 CB 1.196 17 residues pruned to eliminate duplicates Z: 15 18.574 1.842 0.384 0.918 1.000 0.786 CB 1.374 15 residues pruned to eliminate duplicates Z: 6 2.982 1.846 -0.392 0.603 0.800 0.600 C 1.346 Z: 92 56.078 2.290 0.800 0.456 0.912 0.615 CB 1.635 92 residues pruned to eliminate duplicates Z: 7 3.812 1.871 -0.202 0.491 0.833 0.500 CB 1.262 Z: 23 26.124 2.082 0.704 0.672 0.909 0.636 CB 1.473 23 residues pruned to eliminate duplicates Z: 30 32.029 2.093 0.892 0.614 0.897 0.621 CB 1.504 29 residues pruned to eliminate duplicates Z: 14 21.440 1.925 0.635 0.910 1.000 0.769 CB 1.340 14 residues pruned to eliminate duplicates Z: 34 31.491 2.224 0.692 0.490 0.848 0.576 CB 1.734 34 residues pruned to eliminate duplicates Z: 88 58.040 2.169 0.771 0.570 0.966 0.632 CB 1.568 88 residues pruned to eliminate duplicates Z: 16 19.645 1.955 0.395 0.895 1.000 1.000 CB 1.334 16 residues pruned to eliminate duplicates Z: 13 22.465 2.236 0.918 0.568 0.833 0.750 CB 1.699 13 residues pruned to eliminate duplicates Z: 28 41.475 2.169 0.964 0.652 1.000 0.815 CB 1.626 29 residues pruned to eliminate duplicates Z: 87 59.324 2.377 0.795 0.513 0.872 0.547 CB 1.697 87 residues pruned to eliminate duplicates Z: 15 21.241 1.896 0.722 0.913 0.929 0.929 CB 1.325 15 residues pruned to eliminate duplicates Z: 18 26.019 1.904 0.820 0.922 0.941 0.824 CA 1.360 18 residues pruned to eliminate duplicates Z: 15 24.312 2.105 0.564 0.887 1.000 0.857 CB 1.423 15 residues pruned to eliminate duplicates Z: 36 21.268 1.888 0.544 0.514 0.914 0.600 CB 1.330 26 residues pruned to eliminate duplicates Z: 6 5.225 1.773 -0.190 0.751 1.000 0.600 O 1.301 6 residues pruned to eliminate duplicates Z: 32 25.489 2.006 0.818 0.547 0.839 0.677 CB 1.429 32 residues pruned to eliminate duplicates Z: 11 2.399 1.537 -0.072 0.199 0.700 0.400 N 1.087 Z: 30 26.661 2.171 0.686 0.419 0.931 0.483 CB 1.580 30 residues pruned to eliminate duplicates Z: 14 34.603 2.298 1.148 0.935 0.923 0.385 CB 1.469 14 residues pruned to eliminate duplicates Z: 32 35.390 2.221 0.908 0.550 0.871 0.710 CB 1.640 32 residues pruned to eliminate duplicates Z: 22 24.521 2.064 0.812 0.590 1.000 0.810 CB 1.312 22 residues pruned to eliminate duplicates Z: 28 47.582 2.416 1.210 0.608 0.926 0.704 CB 1.672 25 residues pruned to eliminate duplicates Z: 16 16.256 1.809 0.185 0.914 1.000 0.933 CB 1.385 16 residues pruned to eliminate duplicates Z: 8 6.903 1.795 -0.049 0.702 1.000 0.571 CB 1.272 Z: 10 3.463 1.681 0.010 0.378 0.778 0.556 CB 0.995 Z: 15 11.040 2.032 0.364 0.589 0.857 0.500 CB 1.141 15 residues pruned to eliminate duplicates Z: 15 20.550 1.913 0.495 0.930 1.000 0.857 CB 1.343 15 residues pruned to eliminate duplicates Z: 15 16.947 1.871 0.224 0.884 1.000 0.857 CB 1.428 15 residues pruned to eliminate duplicates Z: 28 45.945 2.344 1.220 0.646 0.926 0.481 CB 1.602 28 residues pruned to eliminate duplicates Z: 11 23.676 2.016 1.238 0.704 1.000 0.800 CB 1.379 11 residues pruned to eliminate duplicates Z: 57 46.093 2.172 0.941 0.559 0.946 0.625 CB 1.457 57 residues pruned to eliminate duplicates Z: 13 17.964 1.976 0.682 0.746 1.000 0.667 CB 1.252 13 residues pruned to eliminate duplicates Z: 7 5.897 2.049 -0.426 0.730 1.000 0.833 CB 1.664 7 residues pruned to eliminate duplicates Z: 104 63.692 2.301 0.927 0.495 0.932 0.650 CB 1.527 116 residues pruned to eliminate duplicates Z: 7 3.575 1.815 -0.018 0.426 1.000 0.500 CB 0.884 7 residues pruned to eliminate duplicates Z: 17 27.336 1.863 0.982 0.915 0.938 0.312 CB 1.395 17 residues pruned to eliminate duplicates Z: 7 9.073 1.743 0.458 0.792 0.833 0.500 CB 1.354 7 residues pruned to eliminate duplicates Z: 29 42.495 2.411 0.745 0.561 0.964 0.643 CB 1.865 29 residues pruned to eliminate duplicates Z: 7 7.315 1.536 0.428 0.777 0.833 0.500 CB 1.280 7 residues pruned to eliminate duplicates Z: 12 37.416 2.354 1.208 0.931 1.000 0.273 CB 1.516 12 residues pruned to eliminate duplicates Z: 15 19.201 1.851 0.529 0.898 1.000 0.786 CB 1.297 15 residues pruned to eliminate duplicates Z: 17 19.155 2.010 0.741 0.885 0.875 0.625 CB 1.129 17 residues pruned to eliminate duplicates Z: 6 5.998 2.031 1.321 0.299 0.800 0.600 CA 0.890 Z: 10 18.852 2.029 0.572 0.881 1.000 0.778 CA 1.427 9 residues pruned to eliminate duplicates Z: 10 20.666 2.056 0.723 0.871 0.889 0.667 CA 1.596 Z: 9 11.337 2.017 0.629 0.536 1.000 0.625 CB 1.177 9 residues pruned to eliminate duplicates Z: 31 45.939 2.340 0.819 0.583 1.000 0.633 CA 1.819 31 residues pruned to eliminate duplicates Z: 9 8.886 1.581 0.303 0.716 1.000 0.750 N 1.254 9 residues pruned to eliminate duplicates Z: 6 6.569 1.788 0.730 0.593 1.000 0.600 CB 0.869 Z: 15 20.845 2.024 0.451 0.901 1.000 0.643 CB 1.354 15 residues pruned to eliminate duplicates Z: 13 18.027 2.006 0.794 0.797 0.917 0.667 CB 1.216 13 residues pruned to eliminate duplicates Z: 49 25.354 1.915 0.614 0.468 0.896 0.708 CB 1.365 42 residues pruned to eliminate duplicates Z: 96 67.216 2.390 0.877 0.536 0.874 0.632 CB 1.699 102 residues pruned to eliminate duplicates Z: 6 5.921 1.693 0.309 0.771 1.000 1.000 CB 0.940 6 residues pruned to eliminate duplicates Z: 6 3.226 1.532 0.428 0.439 0.800 0.400 CB 0.878 6 residues pruned to eliminate duplicates Z: 18 21.164 1.981 0.523 0.910 1.000 0.882 CB 1.206 18 residues pruned to eliminate duplicates Z: 7 2.438 1.688 -0.163 0.474 0.833 0.667 CB 0.868 Z: 8 5.309 1.711 0.524 0.403 0.714 0.429 CA 1.194 7 residues pruned to eliminate duplicates Z: 16 20.385 2.026 0.577 0.898 0.933 0.733 CB 1.263 16 residues pruned to eliminate duplicates Z: 9 6.511 1.929 -0.309 0.669 1.000 0.750 CB 1.477 Z: 43 36.451 2.169 0.840 0.629 0.905 0.667 CB 1.379 43 residues pruned to eliminate duplicates Z: 29 35.455 2.160 0.809 0.641 0.964 0.679 CA 1.558 29 residues pruned to eliminate duplicates Z: 13 17.924 2.094 0.596 0.768 0.917 0.750 CA 1.331 13 residues pruned to eliminate duplicates Z: 30 25.429 2.046 0.717 0.624 0.897 0.483 CB 1.334 30 residues pruned to eliminate duplicates Z: 40 50.086 2.367 1.052 0.551 0.923 0.615 CB 1.702 40 residues pruned to eliminate duplicates Z: 9 4.845 1.626 0.095 0.381 0.875 0.500 CB 1.249 9 residues pruned to eliminate duplicates Z: 90 61.140 2.337 0.998 0.447 0.899 0.629 CB 1.632 90 residues pruned to eliminate duplicates Z: 9 25.962 2.257 0.952 0.888 0.875 0.500 CB 1.715 9 residues pruned to eliminate duplicates Z: 18 16.460 1.902 0.604 0.488 0.941 0.824 CB 1.408 18 residues pruned to eliminate duplicates Z: 21 20.870 2.102 0.557 0.519 1.000 0.550 CB 1.399 21 residues pruned to eliminate duplicates Z: 17 31.473 1.892 1.013 0.922 1.000 0.688 CA 1.453 17 residues pruned to eliminate duplicates Z: 17 23.406 1.877 0.759 0.839 0.938 0.625 CA 1.412 17 residues pruned to eliminate duplicates Z: 12 16.424 1.950 1.133 0.707 0.909 0.636 CB 1.085 12 residues pruned to eliminate duplicates Z: 8 4.350 1.588 0.353 0.430 0.857 0.714 CB 0.961 8 residues pruned to eliminate duplicates Z: 28 32.034 2.134 0.816 0.620 0.963 0.630 CB 1.475 28 residues pruned to eliminate duplicates Z: 15 21.399 1.993 0.516 0.879 1.000 0.857 CB 1.373 15 residues pruned to eliminate duplicates Z: 29 27.315 2.050 0.747 0.617 0.929 0.607 CB 1.389 29 residues pruned to eliminate duplicates Z: 40 43.524 2.265 0.796 0.578 0.949 0.615 CB 1.675 40 residues pruned to eliminate duplicates Z: 6 16.071 2.071 1.062 0.646 1.000 0.800 CA 1.468 6 residues pruned to eliminate duplicates Z: 44 26.655 2.081 0.528 0.594 0.907 0.698 CB 1.289 44 residues pruned to eliminate duplicates Z: 63 51.378 2.210 0.836 0.528 0.968 0.677 CB 1.616 120 residues pruned to eliminate duplicates Z: 29 32.310 2.143 0.709 0.641 0.929 0.643 CA 1.574 29 residues pruned to eliminate duplicates Z: 9 24.930 2.111 0.977 0.903 1.000 0.625 CA 1.506 10 residues pruned to eliminate duplicates Z: 6 2.267 1.287 0.573 0.320 0.600 0.400 C 1.017 Z: 8 4.154 1.608 -0.065 0.717 1.000 0.714 CB 0.858 8 residues pruned to eliminate duplicates Z: 15 24.603 1.917 0.800 0.925 1.000 0.571 CB 1.336 15 residues pruned to eliminate duplicates Z: 19 7.329 1.866 0.620 0.219 0.667 0.444 CB 1.192 19 residues pruned to eliminate duplicates Z: 16 23.283 1.830 0.675 0.926 1.000 0.867 CB 1.375 16 residues pruned to eliminate duplicates Z: 10 10.150 1.847 0.405 0.497 0.889 0.667 CB 1.471 8 residues pruned to eliminate duplicates Z: 48 52.415 2.430 0.862 0.562 0.915 0.702 CB 1.740 48 residues pruned to eliminate duplicates Z: 15 16.631 1.779 0.427 0.863 1.000 0.714 CB 1.284 15 residues pruned to eliminate duplicates Z: 8 8.039 1.816 0.611 0.577 1.000 0.857 CB 0.964 Z: 12 11.849 1.843 0.857 0.633 0.909 0.727 CB 1.013 12 residues pruned to eliminate duplicates Z: 6 8.295 1.748 0.582 0.468 1.000 0.400 CA 1.386 6 residues pruned to eliminate duplicates Z: 10 4.468 1.622 0.040 0.396 0.778 0.556 CB 1.268 10 residues pruned to eliminate duplicates Z: 8 10.069 1.567 0.958 0.754 0.857 0.714 N 1.154 8 residues pruned to eliminate duplicates Z: 16 19.727 2.006 0.398 0.874 1.000 0.800 CB 1.322 16 residues pruned to eliminate duplicates Z: 15 6.153 1.710 0.582 0.518 0.929 0.500 CB 0.643 Z: 14 20.294 1.888 0.525 0.890 1.000 0.923 CB 1.407 14 residues pruned to eliminate duplicates Z: 7 2.442 1.632 0.319 0.221 0.667 0.333 CB 0.964 Z: 16 23.640 1.931 0.605 0.917 1.000 1.000 CA 1.389 16 residues pruned to eliminate duplicates Z: 14 18.350 1.855 0.602 0.899 1.000 0.615 CB 1.225 14 residues pruned to eliminate duplicates Z: 31 38.815 2.313 0.868 0.536 0.933 0.533 CB 1.697 31 residues pruned to eliminate duplicates Z: 11 18.737 2.003 0.897 0.575 0.900 0.600 CA 1.612 11 residues pruned to eliminate duplicates Z: 22 25.646 1.968 0.688 0.702 1.000 0.857 CB 1.401 15 residues pruned to eliminate duplicates Z: 7 4.418 1.526 0.644 0.440 0.833 0.500 N 0.919 Z: 23 31.248 2.084 0.776 0.685 1.000 0.818 CA 1.519 Z: 16 24.811 2.069 1.052 0.920 0.867 0.400 CB 1.226 16 residues pruned to eliminate duplicates Z: 9 20.283 2.167 0.757 0.890 0.875 0.750 CB 1.548 9 residues pruned to eliminate duplicates Z: 17 27.576 1.867 1.028 0.915 0.938 0.500 CA 1.373 17 residues pruned to eliminate duplicates Z: 11 12.811 1.950 0.532 0.687 0.800 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 6 3.965 1.488 0.225 0.481 0.800 0.400 N 1.239 6 residues pruned to eliminate duplicates Z: 90 73.989 2.417 0.959 0.539 0.955 0.663 CB 1.670 89 residues pruned to eliminate duplicates Z: 9 5.348 1.752 -0.028 0.579 0.875 0.500 CB 1.175 9 residues pruned to eliminate duplicates Z: 16 31.547 1.968 0.972 0.923 1.000 0.533 CA 1.475 16 residues pruned to eliminate duplicates Z: 7 5.652 1.655 0.698 0.502 1.000 0.833 CB 0.820 Z: 12 16.781 2.307 0.597 0.409 0.909 0.636 CB 1.661 12 residues pruned to eliminate duplicates Z: 17 35.397 2.409 0.838 0.693 1.000 0.625 CB 1.676 17 residues pruned to eliminate duplicates Z: 32 25.685 2.055 0.650 0.593 0.968 0.613 CB 1.287 32 residues pruned to eliminate duplicates Z: 18 21.545 1.961 0.850 0.852 0.941 0.412 CB 1.132 18 residues pruned to eliminate duplicates Z: 48 47.444 2.304 0.974 0.534 0.894 0.532 CB 1.647 48 residues pruned to eliminate duplicates Z: 16 22.042 1.971 0.625 0.901 0.933 0.867 CA 1.359 16 residues pruned to eliminate duplicates Z: 74 31.525 2.008 0.596 0.454 0.918 0.534 CB 1.314 69 residues pruned to eliminate duplicates Z: 43 48.106 2.265 0.924 0.569 0.905 0.667 CA 1.761 43 residues pruned to eliminate duplicates Z: 42 24.779 1.961 0.845 0.432 0.854 0.561 CB 1.344 64 residues pruned to eliminate duplicates Z: 12 27.606 2.242 0.666 0.788 1.000 0.727 CB 1.729 12 residues pruned to eliminate duplicates Z: 15 44.195 2.223 1.171 0.942 1.000 0.714 CB 1.697 15 residues pruned to eliminate duplicates Z: 13 12.185 1.749 0.743 0.516 0.833 0.833 CB 1.363 9 residues pruned to eliminate duplicates Z: 45 57.116 2.488 0.942 0.573 0.909 0.636 CB 1.827 45 residues pruned to eliminate duplicates Z: 6 5.114 1.801 -0.293 0.844 1.000 1.000 CB 1.337 6 residues pruned to eliminate duplicates Z: 33 25.233 2.072 0.436 0.603 0.906 0.688 CA 1.500 40 residues pruned to eliminate duplicates Z: 15 15.552 1.803 0.582 0.771 0.929 0.500 CB 1.234 15 residues pruned to eliminate duplicates Z: 6 2.873 1.956 0.787 0.287 0.600 0.600 N 0.778 Z: 16 32.025 1.971 1.112 0.937 0.933 0.667 CA 1.481 16 residues pruned to eliminate duplicates Z: 10 11.913 1.871 0.434 0.693 0.889 0.556 CB 1.396 Z: 9 25.165 2.027 1.066 0.866 1.000 0.375 CA 1.555 9 residues pruned to eliminate duplicates Z: 15 18.644 1.857 0.465 0.926 1.000 0.643 CB 1.284 15 residues pruned to eliminate duplicates Z: 85 49.045 2.280 0.868 0.420 0.869 0.607 CB 1.572 85 residues pruned to eliminate duplicates Z: 29 36.652 2.126 0.905 0.640 1.000 0.536 CB 1.499 29 residues pruned to eliminate duplicates Z: 9 9.996 1.853 0.894 0.385 0.750 0.625 CB 1.516 Z: 23 6.797 1.732 0.195 0.362 0.818 0.455 CB 0.993 11 residues pruned to eliminate duplicates Z: 42 31.487 2.120 0.600 0.614 0.927 0.659 CB 1.403 42 residues pruned to eliminate duplicates Z: 30 23.448 1.905 0.596 0.634 0.931 0.828 CB 1.357 30 residues pruned to eliminate duplicates Z: 6 4.388 1.578 0.429 0.339 0.800 0.600 CA 1.297 6 residues pruned to eliminate duplicates Z: 20 7.582 1.639 0.347 0.378 0.737 0.474 CB 1.217 27 residues pruned to eliminate duplicates Z: 30 23.366 2.007 0.525 0.554 0.966 0.724 CB 1.393 20 residues pruned to eliminate duplicates Z: 53 47.573 2.183 1.018 0.493 0.981 0.731 CB 1.539 53 residues pruned to eliminate duplicates Z: 12 26.993 2.274 0.722 0.840 0.909 0.818 CA 1.705 12 residues pruned to eliminate duplicates Z: 12 19.027 2.127 0.657 0.793 0.909 0.818 CA 1.385 12 residues pruned to eliminate duplicates Z: 6 3.630 1.562 0.678 0.346 0.600 0.400 CA 1.221 Z: 26 30.554 2.103 0.707 0.612 0.960 0.680 CA 1.594 26 residues pruned to eliminate duplicates Z: 10 11.786 1.750 0.836 0.367 1.000 0.778 O 1.411 10 residues pruned to eliminate duplicates 7 1.933 1.535 0.061 0.250 0.667 0.333 N 0.969 ? Z: 30 17.972 1.893 0.552 0.576 0.931 0.724 CB 1.135 30 residues pruned to eliminate duplicates Z: 14 12.749 1.902 0.564 0.754 0.846 0.462 CB 1.120 14 residues pruned to eliminate duplicates Z: 28 31.025 2.216 0.906 0.522 0.889 0.741 CA 1.555 28 residues pruned to eliminate duplicates Z: 6 2.942 1.304 1.119 0.711 0.800 0.800 N 0.492 Z: 50 35.299 2.085 0.674 0.563 0.959 0.673 CB 1.417 50 residues pruned to eliminate duplicates Z: 26 29.390 2.080 0.668 0.596 1.000 0.560 CA 1.547 26 residues pruned to eliminate duplicates Z: 27 30.154 1.997 0.781 0.606 1.000 0.731 CB 1.504 27 residues pruned to eliminate duplicates Z: 6 5.630 1.835 -0.205 0.756 1.000 0.800 CB 1.375 Z: 12 6.001 1.573 0.245 0.421 0.909 0.636 O 1.104 12 residues pruned to eliminate duplicates Z: 32 37.144 2.034 0.981 0.626 0.968 0.581 CB 1.519 32 residues pruned to eliminate duplicates Z: 14 28.722 2.233 0.922 0.916 1.000 0.692 CB 1.311 14 residues pruned to eliminate duplicates Z: 87 68.254 2.440 0.893 0.547 0.907 0.605 CB 1.679 87 residues pruned to eliminate duplicates Z: 6 5.544 1.797 0.171 0.665 1.000 0.600 CB 1.011 Using tripeptides from previous cycle as seeds Z: 6 3.901 1.691 0.354 0.251 0.800 0.600 CB 1.268 6 residues pruned to eliminate duplicates Z: 9 4.134 1.505 0.324 0.326 0.875 0.375 N 1.015 9 residues pruned to eliminate duplicates Z: 6 4.938 1.716 0.147 0.408 1.000 0.200 CA 1.234 6 residues pruned to eliminate duplicates Z: 7 3.710 1.524 0.317 0.381 0.833 0.500 CB 1.028 Z: 10 20.807 2.017 0.646 0.838 1.000 0.556 CB 1.561 10 residues pruned to eliminate duplicates Z: 13 15.571 2.035 0.512 0.526 0.917 0.333 CB 1.553 13 residues pruned to eliminate duplicates Z: 9 26.214 2.162 0.861 0.870 1.000 0.500 CA 1.681 9 residues pruned to eliminate duplicates Z: 10 20.159 2.010 0.708 0.851 1.000 0.444 CA 1.450 14 residues pruned to eliminate duplicates Z: 10 20.444 2.061 0.683 0.840 1.000 0.333 CA 1.466 10 residues pruned to eliminate duplicates Z: 10 22.854 2.004 0.986 0.871 1.000 0.667 CA 1.395 10 residues pruned to eliminate duplicates Z: 10 21.029 1.964 0.892 0.893 1.000 0.667 CA 1.354 10 residues pruned to eliminate duplicates Z: 9 23.519 2.153 0.838 0.892 1.000 0.750 CA 1.509 9 residues pruned to eliminate duplicates Z: 9 24.223 2.154 0.814 0.902 1.000 0.875 CA 1.563 10 residues pruned to eliminate duplicates Z: 6 5.829 1.843 0.277 0.397 1.000 0.600 CA 1.235 6 residues pruned to eliminate duplicates Z: 32 24.600 1.966 0.591 0.551 0.903 0.581 CA 1.488 32 residues pruned to eliminate duplicates Z: 28 35.699 2.194 0.710 0.677 0.963 0.630 CB 1.616 28 residues pruned to eliminate duplicates Z: 33 25.987 2.099 0.623 0.520 0.812 0.656 CA 1.627 33 residues pruned to eliminate duplicates Z: 26 33.159 2.180 0.716 0.609 0.960 0.560 CA 1.665 26 residues pruned to eliminate duplicates Z: 28 40.796 2.199 0.863 0.660 1.000 0.667 CB 1.651 29 residues pruned to eliminate duplicates Z: 14 27.123 2.297 0.455 0.934 1.000 0.769 CA 1.570 14 residues pruned to eliminate duplicates Z: 30 27.717 2.093 0.755 0.596 0.931 0.655 CB 1.373 30 residues pruned to eliminate duplicates Z: 27 30.277 2.163 0.736 0.595 0.923 0.577 CB 1.564 27 residues pruned to eliminate duplicates Z: 27 27.771 2.151 0.675 0.638 0.885 0.577 CB 1.502 27 residues pruned to eliminate duplicates Z: 26 31.615 2.146 0.656 0.625 1.000 0.640 CB 1.582 26 residues pruned to eliminate duplicates Z: 28 40.262 2.185 0.966 0.638 0.963 0.630 CA 1.645 28 residues pruned to eliminate duplicates Z: 29 34.296 2.149 0.794 0.614 0.929 0.464 CA 1.625 29 residues pruned to eliminate duplicates Z: 27 35.992 2.159 0.825 0.631 1.000 0.577 CB 1.583 27 residues pruned to eliminate duplicates Z: 29 36.283 2.133 0.933 0.627 0.964 0.643 CB 1.531 29 residues pruned to eliminate duplicates Z: 27 30.353 2.057 0.786 0.628 0.923 0.654 CB 1.556 27 residues pruned to eliminate duplicates Z: 27 37.790 2.191 0.833 0.635 0.962 0.577 CB 1.691 27 residues pruned to eliminate duplicates Z: 27 31.494 2.183 0.735 0.602 0.923 0.538 CB 1.603 27 residues pruned to eliminate duplicates Z: 29 29.613 2.113 0.732 0.613 0.893 0.679 CB 1.539 29 residues pruned to eliminate duplicates Z: 29 35.837 2.129 0.802 0.638 0.964 0.571 CB 1.609 29 residues pruned to eliminate duplicates Z: 30 27.761 2.010 0.775 0.562 0.931 0.414 CB 1.461 30 residues pruned to eliminate duplicates Z: 24 33.147 2.183 0.743 0.643 0.957 0.522 CA 1.661 24 residues pruned to eliminate duplicates Z: 22 17.859 1.886 0.380 0.711 0.952 0.810 CB 1.298 22 residues pruned to eliminate duplicates Z: 53 27.840 1.974 0.581 0.467 0.923 0.712 CB 1.386 53 residues pruned to eliminate duplicates Z: 31 18.611 1.872 0.459 0.510 0.900 0.667 CB 1.368 31 residues pruned to eliminate duplicates Z: 89 40.538 2.035 0.593 0.520 0.943 0.670 CB 1.386 89 residues pruned to eliminate duplicates Z: 22 18.777 1.899 0.401 0.681 0.952 0.762 CB 1.369 22 residues pruned to eliminate duplicates Z: 96 44.089 2.051 0.601 0.547 0.916 0.642 CB 1.436 104 residues pruned to eliminate duplicates Z: 17 15.026 1.814 0.384 0.809 1.000 0.875 CB 1.143 17 residues pruned to eliminate duplicates Z: 25 20.033 1.753 0.799 0.596 0.958 0.583 CB 1.235 25 residues pruned to eliminate duplicates Z: 21 21.520 1.915 0.747 0.713 0.950 0.450 CB 1.248 21 residues pruned to eliminate duplicates Z: 84 39.071 2.038 0.585 0.529 0.940 0.542 CB 1.373 84 residues pruned to eliminate duplicates Z: 94 36.266 1.978 0.602 0.488 0.946 0.591 CB 1.269 93 residues pruned to eliminate duplicates Z: 16 17.764 1.783 0.683 0.816 0.933 0.267 CB 1.245 16 residues pruned to eliminate duplicates Z: 23 22.463 1.841 0.802 0.663 0.955 0.545 CB 1.300 23 residues pruned to eliminate duplicates Z: 45 23.331 1.873 0.712 0.462 0.864 0.636 CB 1.321 45 residues pruned to eliminate duplicates Z: 23 22.421 1.831 0.858 0.670 0.909 0.591 CB 1.321 23 residues pruned to eliminate duplicates Z: 54 27.321 1.909 0.801 0.425 0.887 0.528 CB 1.330 54 residues pruned to eliminate duplicates Z: 70 33.280 2.002 0.599 0.525 0.928 0.609 CB 1.317 70 residues pruned to eliminate duplicates Z: 60 38.179 2.018 0.791 0.522 0.915 0.508 CB 1.471 60 residues pruned to eliminate duplicates Z: 89 39.651 2.027 0.694 0.515 0.898 0.602 CB 1.351 95 residues pruned to eliminate duplicates Z: 7 9.943 1.788 0.684 0.808 0.667 0.167 CB 1.545 7 residues pruned to eliminate duplicates Z: 84 39.976 2.031 0.743 0.526 0.904 0.578 CB 1.337 84 residues pruned to eliminate duplicates Z: 126 44.469 2.007 0.661 0.496 0.888 0.576 CB 1.348 119 residues pruned to eliminate duplicates Z: 16 19.275 1.849 1.023 0.828 0.800 0.333 CB 1.253 16 residues pruned to eliminate duplicates Z: 88 44.229 2.054 0.697 0.535 0.943 0.724 CB 1.394 88 residues pruned to eliminate duplicates Z: 31 24.455 1.903 0.727 0.569 0.900 0.667 CB 1.412 31 residues pruned to eliminate duplicates Z: 16 7.679 1.914 0.507 0.194 0.733 0.333 CB 1.351 16 residues pruned to eliminate duplicates Z: 80 31.217 2.009 0.635 0.408 0.911 0.620 CB 1.292 82 residues pruned to eliminate duplicates Z: 8 2.970 1.332 0.458 0.487 0.857 0.571 CB 0.684 8 residues pruned to eliminate duplicates Z: 36 25.385 1.948 0.810 0.523 0.914 0.657 CB 1.301 36 residues pruned to eliminate duplicates Z: 37 18.421 1.867 0.669 0.416 0.917 0.583 CB 1.173 37 residues pruned to eliminate duplicates Z: 15 11.783 1.992 0.675 0.235 0.929 0.643 CB 1.383 15 residues pruned to eliminate duplicates Z: 90 40.386 2.027 0.694 0.499 0.921 0.618 CB 1.355 101 residues pruned to eliminate duplicates Z: 6 5.555 1.883 0.432 0.311 0.800 0.400 CA 1.421 6 residues pruned to eliminate duplicates Z: 62 38.818 2.016 0.750 0.546 0.951 0.672 CB 1.416 62 residues pruned to eliminate duplicates Z: 31 16.864 2.002 0.585 0.285 0.867 0.600 CB 1.426 31 residues pruned to eliminate duplicates Z: 39 16.273 1.917 0.560 0.254 0.947 0.579 CB 1.236 39 residues pruned to eliminate duplicates Z: 51 29.438 2.044 0.594 0.442 0.960 0.700 CB 1.414 51 residues pruned to eliminate duplicates Z: 52 27.841 2.010 0.559 0.439 0.941 0.608 CB 1.408 52 residues pruned to eliminate duplicates Z: 68 31.072 2.051 0.580 0.446 0.925 0.627 CB 1.337 68 residues pruned to eliminate duplicates Z: 66 31.535 2.091 0.635 0.451 0.892 0.677 CB 1.348 66 residues pruned to eliminate duplicates Z: 37 26.548 2.035 0.546 0.544 0.972 0.667 CB 1.386 37 residues pruned to eliminate duplicates Z: 47 28.682 2.097 0.609 0.482 0.957 0.630 CB 1.335 47 residues pruned to eliminate duplicates Z: 50 32.338 2.116 0.636 0.541 0.918 0.694 CB 1.395 50 residues pruned to eliminate duplicates Z: 51 33.296 2.103 0.611 0.527 0.960 0.700 CB 1.410 51 residues pruned to eliminate duplicates Z: 68 32.205 2.082 0.653 0.466 0.866 0.657 CB 1.367 68 residues pruned to eliminate duplicates Z: 35 28.633 2.105 0.569 0.546 1.000 0.706 CB 1.421 35 residues pruned to eliminate duplicates Z: 119 49.645 2.040 0.687 0.522 0.949 0.610 CB 1.369 119 residues pruned to eliminate duplicates Z: 68 32.602 2.093 0.570 0.448 0.910 0.627 CB 1.404 68 residues pruned to eliminate duplicates Z: 50 30.872 2.129 0.526 0.535 0.918 0.673 CB 1.428 50 residues pruned to eliminate duplicates Z: 75 30.504 1.996 0.580 0.423 0.919 0.541 CB 1.325 75 residues pruned to eliminate duplicates Z: 15 16.565 2.062 0.672 0.391 1.000 0.714 CB 1.440 15 residues pruned to eliminate duplicates Z: 49 27.036 2.094 0.471 0.529 0.875 0.521 CB 1.407 49 residues pruned to eliminate duplicates Z: 48 31.320 2.067 0.739 0.518 0.936 0.660 CB 1.333 48 residues pruned to eliminate duplicates Z: 27 25.295 2.090 0.749 0.585 0.962 0.577 CB 1.301 27 residues pruned to eliminate duplicates Z: 39 30.076 2.121 0.620 0.616 0.947 0.605 CB 1.344 39 residues pruned to eliminate duplicates Z: 45 28.567 2.106 0.623 0.560 0.864 0.659 CB 1.376 45 residues pruned to eliminate duplicates Z: 44 36.746 2.125 0.833 0.584 0.953 0.628 CB 1.391 45 residues pruned to eliminate duplicates Z: 17 24.858 2.015 0.740 0.926 1.000 0.750 CB 1.243 17 residues pruned to eliminate duplicates Z: 44 34.559 2.144 0.791 0.577 0.907 0.744 CB 1.405 44 residues pruned to eliminate duplicates Z: 43 30.343 2.131 0.685 0.549 0.905 0.643 CB 1.374 43 residues pruned to eliminate duplicates Z: 45 29.146 2.120 0.598 0.578 0.909 0.636 CB 1.323 45 residues pruned to eliminate duplicates Z: 46 31.384 2.057 0.672 0.556 0.933 0.556 CB 1.381 46 residues pruned to eliminate duplicates Z: 25 25.006 2.121 0.560 0.651 0.917 0.708 CB 1.462 25 residues pruned to eliminate duplicates Z: 42 31.767 2.158 0.741 0.611 0.854 0.683 CB 1.393 42 residues pruned to eliminate duplicates Z: 26 25.236 2.134 0.694 0.607 0.920 0.720 CB 1.372 26 residues pruned to eliminate duplicates Z: 88 41.847 2.061 0.662 0.530 0.931 0.609 CB 1.366 88 residues pruned to eliminate duplicates Z: 36 31.887 2.152 0.769 0.656 0.914 0.657 CB 1.340 36 residues pruned to eliminate duplicates Z: 48 33.303 2.104 0.825 0.539 0.936 0.617 CB 1.300 48 residues pruned to eliminate duplicates Z: 70 42.543 2.118 0.843 0.560 0.899 0.507 CB 1.377 70 residues pruned to eliminate duplicates Z: 54 32.385 2.098 0.644 0.524 0.925 0.679 CB 1.363 54 residues pruned to eliminate duplicates Z: 45 34.451 2.115 0.784 0.571 0.932 0.636 CB 1.380 45 residues pruned to eliminate duplicates Z: 32 28.412 2.064 0.643 0.630 0.935 0.516 CB 1.424 32 residues pruned to eliminate duplicates Z: 40 34.786 2.102 0.784 0.644 0.949 0.538 CB 1.369 40 residues pruned to eliminate duplicates Z: 43 35.266 2.139 0.810 0.591 0.952 0.595 CB 1.353 43 residues pruned to eliminate duplicates Z: 19 21.197 2.129 0.564 0.482 0.944 0.556 CB 1.618 19 residues pruned to eliminate duplicates Z: 21 18.269 2.043 0.702 0.431 0.950 0.650 CB 1.328 21 residues pruned to eliminate duplicates Z: 39 32.747 2.132 0.766 0.615 0.974 0.526 CB 1.300 39 residues pruned to eliminate duplicates Z: 44 34.399 2.140 0.787 0.563 0.953 0.581 CB 1.354 44 residues pruned to eliminate duplicates Z: 6 5.069 1.671 0.185 0.378 1.000 1.000 CB 1.304 6 residues pruned to eliminate duplicates Z: 89 43.177 2.019 0.730 0.560 0.920 0.614 CB 1.351 89 residues pruned to eliminate duplicates Z: 20 18.330 2.080 0.774 0.466 0.895 0.579 CB 1.319 20 residues pruned to eliminate duplicates Z: 17 18.130 2.176 0.709 0.539 0.875 0.625 CB 1.340 17 residues pruned to eliminate duplicates Z: 45 31.896 2.098 0.750 0.567 0.909 0.568 CB 1.351 45 residues pruned to eliminate duplicates Z: 17 18.697 2.103 0.760 0.516 0.875 0.562 CB 1.420 17 residues pruned to eliminate duplicates Z: 48 26.320 2.011 0.711 0.526 0.872 0.574 CB 1.247 48 residues pruned to eliminate duplicates Z: 22 15.413 2.013 0.585 0.361 0.905 0.619 CB 1.353 22 residues pruned to eliminate duplicates Z: 14 15.172 2.121 0.724 0.498 0.769 0.308 CB 1.499 14 residues pruned to eliminate duplicates Z: 33 24.859 2.110 0.624 0.557 0.875 0.688 CA 1.387 33 residues pruned to eliminate duplicates Z: 46 31.920 2.081 0.680 0.486 0.933 0.667 CB 1.479 46 residues pruned to eliminate duplicates Z: 113 61.291 2.299 0.793 0.487 0.893 0.634 CB 1.595 113 residues pruned to eliminate duplicates Z: 62 41.132 2.168 0.833 0.428 0.918 0.672 CB 1.555 62 residues pruned to eliminate duplicates Z: 19 19.705 2.079 0.529 0.630 0.944 0.722 CA 1.368 19 residues pruned to eliminate duplicates Z: 18 27.039 2.126 0.783 0.684 0.941 0.882 CB 1.553 18 residues pruned to eliminate duplicates Z: 89 57.303 2.278 0.755 0.516 0.943 0.670 CB 1.596 89 residues pruned to eliminate duplicates Z: 105 61.455 2.312 0.823 0.483 0.894 0.663 CB 1.627 105 residues pruned to eliminate duplicates Z: 94 64.177 2.310 0.865 0.508 0.935 0.634 CB 1.639 94 residues pruned to eliminate duplicates Z: 55 39.326 2.186 0.855 0.432 0.907 0.648 CB 1.559 55 residues pruned to eliminate duplicates Z: 112 65.105 2.311 0.827 0.476 0.919 0.622 CB 1.632 113 residues pruned to eliminate duplicates Z: 20 26.313 1.908 0.868 0.780 0.947 0.842 CA 1.397 20 residues pruned to eliminate duplicates Z: 52 42.868 2.202 0.883 0.503 0.922 0.686 CB 1.567 60 residues pruned to eliminate duplicates Z: 17 27.599 1.916 0.878 0.878 1.000 0.625 CA 1.391 17 residues pruned to eliminate duplicates Z: 87 64.423 2.323 0.836 0.556 0.942 0.733 CB 1.638 87 residues pruned to eliminate duplicates Z: 138 76.868 2.340 0.805 0.500 0.927 0.657 CB 1.677 138 residues pruned to eliminate duplicates Z: 138 83.043 2.344 0.933 0.516 0.949 0.620 CB 1.624 138 residues pruned to eliminate duplicates Z: 55 42.811 2.147 0.965 0.461 0.926 0.611 CB 1.552 51 residues pruned to eliminate duplicates Z: 16 36.984 2.003 1.234 0.938 1.000 0.667 CA 1.484 16 residues pruned to eliminate duplicates Z: 46 35.462 2.082 0.909 0.465 0.956 0.467 CB 1.442 46 residues pruned to eliminate duplicates Z: 34 27.544 2.013 0.761 0.563 0.909 0.455 CB 1.400 34 residues pruned to eliminate duplicates Z: 99 59.525 2.284 0.859 0.483 0.939 0.714 CB 1.534 99 residues pruned to eliminate duplicates Z: 22 36.285 2.101 0.947 0.744 0.952 0.667 CB 1.634 22 residues pruned to eliminate duplicates Z: 52 36.581 2.156 0.869 0.462 0.922 0.588 CB 1.433 52 residues pruned to eliminate duplicates Z: 61 43.503 2.158 0.943 0.435 0.900 0.550 CB 1.592 55 residues pruned to eliminate duplicates Z: 17 31.867 1.941 1.099 0.870 0.938 0.562 CB 1.522 17 residues pruned to eliminate duplicates Z: 53 39.258 2.117 0.915 0.478 0.923 0.577 CB 1.488 53 residues pruned to eliminate duplicates Z: 52 39.745 2.135 0.927 0.466 0.902 0.686 CB 1.553 52 residues pruned to eliminate duplicates Z: 30 27.306 2.240 1.033 0.268 0.931 0.621 CB 1.557 30 residues pruned to eliminate duplicates Z: 139 76.096 2.322 0.936 0.492 0.920 0.587 CB 1.578 139 residues pruned to eliminate duplicates Z: 54 34.315 2.065 0.902 0.450 0.887 0.547 CB 1.425 54 residues pruned to eliminate duplicates Z: 29 23.722 2.216 0.965 0.264 0.893 0.500 CB 1.509 29 residues pruned to eliminate duplicates Z: 52 44.786 2.242 0.899 0.465 0.961 0.686 CB 1.588 52 residues pruned to eliminate duplicates Z: 90 66.000 2.345 0.894 0.545 0.910 0.663 CB 1.657 90 residues pruned to eliminate duplicates Z: 146 80.458 2.331 0.907 0.510 0.910 0.572 CB 1.634 147 residues pruned to eliminate duplicates Z: 7 5.381 1.783 0.204 0.493 1.000 0.500 CA 1.031 7 residues pruned to eliminate duplicates Z: 87 58.641 2.328 0.877 0.452 0.942 0.605 CB 1.615 87 residues pruned to eliminate duplicates Z: 104 61.108 2.307 0.843 0.476 0.913 0.641 CB 1.590 104 residues pruned to eliminate duplicates Z: 57 39.631 2.133 1.021 0.410 0.946 0.464 CB 1.427 57 residues pruned to eliminate duplicates Z: 103 62.230 2.318 0.869 0.500 0.912 0.598 CB 1.560 103 residues pruned to eliminate duplicates Z: 55 39.220 2.171 0.916 0.443 0.926 0.556 CB 1.469 55 residues pruned to eliminate duplicates Z: 61 39.366 2.207 0.880 0.452 0.883 0.417 CB 1.457 61 residues pruned to eliminate duplicates Z: 111 73.182 2.379 0.949 0.504 0.900 0.618 CB 1.666 114 residues pruned to eliminate duplicates Z: 6 7.222 1.938 1.236 0.308 0.800 0.600 CB 1.152 6 residues pruned to eliminate duplicates Z: 106 61.449 2.265 0.896 0.445 0.933 0.619 CB 1.583 106 residues pruned to eliminate duplicates Z: 102 59.566 2.320 0.824 0.489 0.891 0.574 CB 1.590 102 residues pruned to eliminate duplicates Z: 31 25.111 2.205 0.844 0.280 0.900 0.700 CB 1.606 31 residues pruned to eliminate duplicates Z: 95 65.310 2.388 0.813 0.524 0.904 0.553 CB 1.680 95 residues pruned to eliminate duplicates Z: 53 39.786 2.168 0.968 0.463 0.904 0.654 CB 1.486 53 residues pruned to eliminate duplicates Z: 92 71.052 2.399 0.867 0.537 0.934 0.670 CB 1.717 90 residues pruned to eliminate duplicates Z: 9 9.608 1.921 0.391 0.659 0.875 0.375 CA 1.253 9 residues pruned to eliminate duplicates Z: 95 62.279 2.359 0.908 0.500 0.862 0.574 CB 1.655 95 residues pruned to eliminate duplicates Z: 59 50.388 2.357 0.793 0.516 0.897 0.552 CB 1.718 59 residues pruned to eliminate duplicates Z: 90 69.000 2.437 0.889 0.543 0.876 0.596 CB 1.738 90 residues pruned to eliminate duplicates Z: 41 50.438 2.428 0.804 0.666 0.925 0.675 CB 1.689 41 residues pruned to eliminate duplicates Z: 55 39.267 2.347 0.793 0.487 0.833 0.574 CB 1.544 55 residues pruned to eliminate duplicates Z: 39 50.228 2.520 0.803 0.631 0.921 0.605 CB 1.721 39 residues pruned to eliminate duplicates Z: 46 48.921 2.461 0.903 0.559 0.867 0.667 CB 1.696 46 residues pruned to eliminate duplicates Z: 58 48.715 2.427 0.808 0.497 0.895 0.561 CB 1.649 58 residues pruned to eliminate duplicates Z: 64 66.551 2.444 1.086 0.610 0.873 0.619 CB 1.697 64 residues pruned to eliminate duplicates Z: 91 71.319 2.413 1.001 0.558 0.878 0.578 CB 1.677 91 residues pruned to eliminate duplicates Z: 84 64.429 2.403 0.905 0.540 0.904 0.578 CB 1.644 84 residues pruned to eliminate duplicates Z: 135 80.566 2.341 0.960 0.525 0.910 0.582 CB 1.625 135 residues pruned to eliminate duplicates Z: 60 57.075 2.398 0.994 0.529 0.881 0.627 CB 1.713 60 residues pruned to eliminate duplicates Z: 88 61.369 2.399 0.904 0.533 0.862 0.540 CB 1.618 88 residues pruned to eliminate duplicates Z: 53 47.716 2.393 0.942 0.518 0.904 0.519 CB 1.546 53 residues pruned to eliminate duplicates Z: 106 67.844 2.297 0.953 0.504 0.924 0.581 CB 1.591 106 residues pruned to eliminate duplicates Z: 52 47.512 2.426 1.013 0.499 0.843 0.510 CB 1.617 52 residues pruned to eliminate duplicates Z: 92 65.548 2.381 0.992 0.552 0.857 0.560 CB 1.606 91 residues pruned to eliminate duplicates Z: 17 44.134 2.447 1.182 0.826 0.938 0.375 CB 1.663 17 residues pruned to eliminate duplicates Z: 41 56.875 2.490 1.031 0.643 0.925 0.525 CB 1.681 41 residues pruned to eliminate duplicates Z: 90 69.756 2.411 1.065 0.507 0.876 0.539 CB 1.683 90 residues pruned to eliminate duplicates Z: 58 48.527 2.389 1.032 0.473 0.860 0.421 CB 1.582 58 residues pruned to eliminate duplicates Z: 42 51.491 2.421 0.884 0.620 0.902 0.610 CB 1.745 42 residues pruned to eliminate duplicates Z: 59 51.320 2.435 0.985 0.512 0.862 0.483 CB 1.598 59 residues pruned to eliminate duplicates Z: 42 57.436 2.509 0.937 0.628 0.951 0.707 CB 1.720 42 residues pruned to eliminate duplicates Z: 90 73.256 2.416 1.010 0.523 0.933 0.618 CB 1.676 90 residues pruned to eliminate duplicates Z: 61 48.217 2.387 0.930 0.473 0.883 0.550 CB 1.573 61 residues pruned to eliminate duplicates Z: 83 72.430 2.438 1.020 0.533 0.915 0.622 CB 1.720 83 residues pruned to eliminate duplicates Z: 59 54.386 2.464 0.837 0.497 0.931 0.690 CB 1.700 59 residues pruned to eliminate duplicates Z: 54 47.983 2.398 0.894 0.482 0.887 0.585 CB 1.667 54 residues pruned to eliminate duplicates Z: 136 82.567 2.348 0.872 0.522 0.956 0.615 CB 1.655 136 residues pruned to eliminate duplicates Z: 91 68.096 2.386 0.994 0.519 0.889 0.567 CB 1.665 91 residues pruned to eliminate duplicates Z: 58 46.943 2.421 0.957 0.487 0.825 0.632 CB 1.613 58 residues pruned to eliminate duplicates Z: 91 69.170 2.400 1.011 0.527 0.911 0.556 CB 1.615 91 residues pruned to eliminate duplicates Z: 63 55.170 2.418 0.928 0.471 0.919 0.581 CB 1.683 63 residues pruned to eliminate duplicates Z: 62 48.598 2.391 0.905 0.474 0.869 0.607 CB 1.615 62 residues pruned to eliminate duplicates Z: 56 40.910 2.241 0.862 0.435 0.873 0.527 CB 1.621 56 residues pruned to eliminate duplicates Z: 49 50.902 2.383 0.955 0.533 0.896 0.604 CB 1.704 49 residues pruned to eliminate duplicates Z: 86 75.666 2.456 0.959 0.531 0.941 0.624 CB 1.757 86 residues pruned to eliminate duplicates Z: 89 76.309 2.427 0.962 0.530 0.966 0.591 CB 1.717 89 residues pruned to eliminate duplicates Z: 28 27.606 2.411 0.797 0.359 0.889 0.593 CB 1.605 28 residues pruned to eliminate duplicates Z: 55 55.960 2.450 1.019 0.534 0.907 0.611 CB 1.641 55 residues pruned to eliminate duplicates Z: 29 28.285 2.385 0.950 0.324 0.857 0.679 CB 1.626 29 residues pruned to eliminate duplicates Z: 90 68.837 2.390 0.986 0.516 0.933 0.562 CB 1.622 92 residues pruned to eliminate duplicates Z: 6 4.209 1.932 0.858 0.201 0.800 0.200 CB 0.934 Z: 7 4.706 1.878 0.584 0.381 0.833 0.667 CB 0.880 Z: 6 6.601 1.996 0.910 0.288 0.800 0.600 CA 1.229 6 residues pruned to eliminate duplicates Z: 31 39.369 2.365 0.815 0.495 0.933 0.500 CA 1.803 31 residues pruned to eliminate duplicates Z: 31 48.554 2.378 0.936 0.552 1.000 0.667 CB 1.831 31 residues pruned to eliminate duplicates Z: 38 43.957 2.339 0.937 0.516 0.919 0.514 CB 1.709 38 residues pruned to eliminate duplicates Z: 29 53.374 2.471 1.094 0.584 0.929 0.643 CA 1.936 29 residues pruned to eliminate duplicates Z: 46 50.388 2.338 0.987 0.495 0.978 0.622 CB 1.663 46 residues pruned to eliminate duplicates Z: 88 73.569 2.439 1.018 0.513 0.920 0.552 CB 1.720 88 residues pruned to eliminate duplicates Z: 46 46.796 2.331 0.906 0.485 0.911 0.578 CB 1.750 59 residues pruned to eliminate duplicates Z: 13 20.359 2.183 0.343 0.832 0.917 0.667 CB 1.642 13 residues pruned to eliminate duplicates Z: 82 71.062 2.439 1.005 0.555 0.901 0.679 CB 1.698 82 residues pruned to eliminate duplicates Z: 86 75.401 2.434 1.016 0.538 0.953 0.529 CB 1.685 86 residues pruned to eliminate duplicates Z: 92 77.244 2.411 1.029 0.520 0.945 0.604 CB 1.718 92 residues pruned to eliminate duplicates Z: 90 79.624 2.441 1.097 0.540 0.899 0.674 CB 1.764 90 residues pruned to eliminate duplicates Z: 13 30.219 2.257 0.879 0.791 1.000 0.833 CA 1.593 13 residues pruned to eliminate duplicates Z: 40 54.152 2.380 1.034 0.557 0.974 0.667 CB 1.740 40 residues pruned to eliminate duplicates Z: 60 59.543 2.407 1.079 0.466 0.915 0.576 CB 1.753 60 residues pruned to eliminate duplicates Z: 16 25.773 2.235 0.766 0.631 0.933 0.467 CB 1.598 16 residues pruned to eliminate duplicates Z: 62 54.892 2.403 0.992 0.438 0.918 0.639 CB 1.704 62 residues pruned to eliminate duplicates Z: 63 62.249 2.441 1.028 0.493 0.935 0.613 CB 1.720 63 residues pruned to eliminate duplicates Z: 87 68.476 2.415 0.958 0.507 0.907 0.581 CB 1.710 87 residues pruned to eliminate duplicates Z: 62 56.512 2.314 1.077 0.537 0.869 0.475 CB 1.671 62 residues pruned to eliminate duplicates Z: 50 45.188 2.317 0.918 0.490 0.857 0.653 CB 1.712 50 residues pruned to eliminate duplicates Z: 32 50.226 2.365 1.157 0.559 0.968 0.645 CB 1.725 32 residues pruned to eliminate duplicates Z: 91 67.008 2.397 0.998 0.479 0.900 0.611 CB 1.674 91 residues pruned to eliminate duplicates Z: 55 43.108 2.159 0.955 0.506 0.852 0.611 CB 1.620 75 residues pruned to eliminate duplicates Z: 12 25.060 2.436 0.388 0.808 1.000 0.818 CB 1.709 12 residues pruned to eliminate duplicates Z: 23 37.430 2.525 0.813 0.614 0.909 0.727 CB 1.721 24 residues pruned to eliminate duplicates Z: 12 38.472 2.592 0.884 0.908 1.000 0.909 CA 1.687 12 residues pruned to eliminate duplicates Z: 40 38.026 2.256 0.739 0.592 0.923 0.718 CA 1.540 42 residues pruned to eliminate duplicates Z: 16 34.207 2.353 1.032 0.787 0.933 0.800 CA 1.537 16 residues pruned to eliminate duplicates Z: 29 41.179 2.429 0.733 0.589 1.000 0.786 CB 1.698 29 residues pruned to eliminate duplicates Z: 23 35.066 2.442 0.703 0.615 0.955 0.636 CA 1.689 23 residues pruned to eliminate duplicates Z: 29 45.187 2.474 0.837 0.621 0.964 0.714 CA 1.739 29 residues pruned to eliminate duplicates Z: 29 44.120 2.440 0.849 0.588 0.964 0.643 CB 1.762 29 residues pruned to eliminate duplicates Z: 31 49.721 2.381 1.041 0.607 0.967 0.567 CA 1.745 31 residues pruned to eliminate duplicates Z: 16 43.822 2.401 1.171 0.838 1.000 0.333 CA 1.622 16 residues pruned to eliminate duplicates Z: 43 35.129 2.231 0.837 0.510 0.857 0.548 CB 1.527 43 residues pruned to eliminate duplicates Z: 29 44.279 2.441 0.930 0.611 0.893 0.536 CA 1.791 29 residues pruned to eliminate duplicates Z: 30 46.644 2.420 0.883 0.575 1.000 0.655 CB 1.769 30 residues pruned to eliminate duplicates Z: 30 49.720 2.394 1.030 0.598 0.966 0.448 CB 1.792 30 residues pruned to eliminate duplicates Z: 6 4.076 1.911 0.395 0.348 0.600 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 29 50.476 2.487 1.077 0.637 0.929 0.714 CB 1.749 29 residues pruned to eliminate duplicates Z: 6 8.937 1.707 0.881 0.461 1.000 1.000 CA 1.295 6 residues pruned to eliminate duplicates Z: 30 43.781 2.412 1.001 0.613 0.897 0.586 CB 1.687 30 residues pruned to eliminate duplicates Z: 31 45.708 2.409 1.050 0.591 0.933 0.500 CB 1.660 31 residues pruned to eliminate duplicates Z: 31 44.269 2.383 1.134 0.602 0.900 0.500 CB 1.602 31 residues pruned to eliminate duplicates Z: 28 29.842 2.121 0.649 0.581 0.926 0.630 CB 1.641 23 residues pruned to eliminate duplicates Z: 15 22.040 2.068 0.734 0.752 0.929 0.786 CA 1.413 15 residues pruned to eliminate duplicates Z: 23 29.347 2.114 0.898 0.590 1.000 0.682 CB 1.430 23 residues pruned to eliminate duplicates Z: 11 15.711 2.166 0.348 0.803 1.000 0.700 CB 1.306 11 residues pruned to eliminate duplicates Z: 29 34.073 2.041 0.924 0.559 0.964 0.714 CB 1.606 29 residues pruned to eliminate duplicates Z: 13 18.504 1.974 0.921 0.806 0.917 0.750 CB 1.177 13 residues pruned to eliminate duplicates Z: 27 24.848 1.988 1.004 0.508 0.923 0.462 CB 1.315 27 residues pruned to eliminate duplicates Z: 12 22.908 2.099 0.960 0.795 1.000 0.636 CB 1.296 12 residues pruned to eliminate duplicates Z: 29 36.790 2.104 0.842 0.603 1.000 0.607 CB 1.626 29 residues pruned to eliminate duplicates Z: 12 20.054 2.135 0.914 0.786 0.909 0.545 CB 1.266 12 residues pruned to eliminate duplicates Z: 35 36.632 2.035 0.881 0.547 0.971 0.647 CB 1.615 63 residues pruned to eliminate duplicates Z: 30 34.411 2.127 0.862 0.582 0.931 0.483 CB 1.601 Z: 14 20.962 2.090 0.811 0.667 1.000 0.769 CA 1.317 14 residues pruned to eliminate duplicates Z: 29 38.231 2.142 0.897 0.614 0.964 0.714 CB 1.655 30 residues pruned to eliminate duplicates Z: 6 7.172 1.820 0.716 0.492 0.800 0.400 CA 1.294 6 residues pruned to eliminate duplicates Z: 29 39.462 2.162 0.912 0.634 0.964 0.643 CB 1.650 29 residues pruned to eliminate duplicates Z: 6 8.148 1.886 0.791 0.440 0.800 0.600 CA 1.435 6 residues pruned to eliminate duplicates Z: 29 38.632 2.142 0.960 0.569 0.964 0.607 CB 1.687 29 residues pruned to eliminate duplicates Z: 6 10.179 2.046 1.141 0.366 0.800 0.400 CB 1.501 6 residues pruned to eliminate duplicates Z: 28 44.099 2.195 0.957 0.653 1.000 0.778 CB 1.713 28 residues pruned to eliminate duplicates Z: 6 7.203 1.847 0.411 0.348 1.000 0.200 CB 1.456 6 residues pruned to eliminate duplicates Z: 13 18.406 2.180 0.706 0.613 1.000 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 54 45.477 2.226 0.841 0.543 0.925 0.660 CB 1.581 54 residues pruned to eliminate duplicates Z: 11 12.098 1.847 0.828 0.619 1.000 0.600 CB 1.013 Z: 6 4.125 1.627 0.461 0.433 0.800 0.400 CB 1.040 Z: 6 6.896 1.525 1.100 0.462 1.000 0.800 CB 1.001 6 residues pruned to eliminate duplicates 369 residues left after pruning, divided into chains as follows: A: 7 B: 13 C: 9 D: 113 E: 185 F: 13 G: 29 CC for partial structure against native data = 38.16 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.597, Connect. = 0.710 for dens.mod. cycle 1 = 0.300, Contrast = 0.697, Connect. = 0.743 for dens.mod. cycle 2 = 0.300, Contrast = 0.846, Connect. = 0.777 for dens.mod. cycle 3 = 0.300, Contrast = 0.871, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.892, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.900, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.908, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.910, Connect. = 0.786 for dens.mod. cycle 8 = 0.300, Contrast = 0.913, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.913, Connect. = 0.787 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2132 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 472 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 34.178 2.360 0.706 0.930 1.000 0.867 CA 1.533 B: 14 51.273 2.634 0.962 0.933 1.000 0.692 CA 1.920 16 residues pruned to eliminate duplicates C: 18 38.950 2.227 0.865 0.897 0.941 0.882 CA 1.729 18 residues pruned to eliminate duplicates D: 15 31.152 2.432 0.808 0.876 0.857 0.786 CA 1.606 15 residues pruned to eliminate duplicates E: 17 34.904 2.313 0.773 0.901 0.938 0.688 CB 1.621 F: 6 3.030 1.894 0.060 0.635 0.600 0.400 CB 0.991 G: 9 23.569 2.224 0.858 0.861 0.875 0.875 CB 1.693 H: 14 45.753 2.643 0.903 0.908 1.000 0.846 CA 1.791 14 residues pruned to eliminate duplicates I: 32 49.607 2.353 1.023 0.585 0.968 0.548 CB 1.783 J: 16 49.805 2.467 1.104 0.898 1.000 0.600 CA 1.772 16 residues pruned to eliminate duplicates K: 9 19.906 2.237 0.806 0.831 0.750 0.750 CA 1.745 9 residues pruned to eliminate duplicates L: 25 21.575 1.959 0.821 0.582 0.875 0.625 CB 1.304 M: 17 35.375 2.296 0.730 0.934 0.938 0.875 CB 1.656 17 residues pruned to eliminate duplicates N: 30 43.553 2.397 0.964 0.629 0.931 0.655 CB 1.635 17 residues pruned to eliminate duplicates O: 30 45.889 2.364 0.922 0.553 0.966 0.621 CB 1.845 32 residues pruned to eliminate duplicates P: 14 27.054 2.216 0.728 0.903 1.000 0.846 CA 1.396 Q: 15 39.063 2.500 1.099 0.858 0.857 0.714 CA 1.709 15 residues pruned to eliminate duplicates R: 14 28.588 2.283 0.748 0.925 0.923 0.846 CA 1.511 14 residues pruned to eliminate duplicates S: 10 18.671 1.949 0.592 0.849 1.000 0.778 CA 1.487 T: 79 63.031 2.394 0.934 0.539 0.897 0.526 CB 1.654 57 residues pruned to eliminate duplicates U: 14 25.895 2.040 0.913 0.752 1.000 0.846 CB 1.470 14 residues pruned to eliminate duplicates V: 59 55.330 2.430 1.043 0.502 0.879 0.552 CB 1.660 59 residues pruned to eliminate duplicates W: 54 51.950 2.425 0.924 0.551 0.868 0.604 CB 1.677 54 residues pruned to eliminate duplicates X: 33 38.011 2.347 0.966 0.531 0.844 0.469 CB 1.674 19 residues pruned to eliminate duplicates Y: 17 46.084 2.373 1.037 0.916 0.938 0.438 CB 1.796 17 residues pruned to eliminate duplicates Z: 9 26.876 2.243 0.733 0.899 1.000 0.875 CA 1.747 9 residues pruned to eliminate duplicates Z: 17 35.537 2.288 1.080 0.905 0.875 0.688 CB 1.518 17 residues pruned to eliminate duplicates Z: 18 36.851 2.204 1.064 0.877 0.941 0.706 CB 1.516 18 residues pruned to eliminate duplicates Z: 16 33.093 2.414 0.654 0.934 0.867 0.733 CA 1.722 16 residues pruned to eliminate duplicates Z: 86 60.767 2.372 0.858 0.502 0.882 0.659 CB 1.692 86 residues pruned to eliminate duplicates Z: 33 50.217 2.302 1.115 0.591 0.969 0.625 CB 1.726 33 residues pruned to eliminate duplicates Z: 15 34.954 2.433 0.482 0.914 1.000 0.714 CA 1.831 15 residues pruned to eliminate duplicates Z: 14 22.871 2.497 0.254 0.919 0.923 0.846 CA 1.546 14 residues pruned to eliminate duplicates Z: 29 23.675 2.094 0.507 0.595 0.929 0.679 CB 1.394 Z: 85 75.980 2.423 0.975 0.558 0.964 0.643 CB 1.698 83 residues pruned to eliminate duplicates Z: 15 39.568 2.470 0.768 0.917 0.929 0.500 CA 1.841 15 residues pruned to eliminate duplicates Z: 32 47.161 2.320 1.181 0.550 0.968 0.710 CB 1.647 32 residues pruned to eliminate duplicates Z: 85 68.604 2.400 0.865 0.567 0.917 0.595 CB 1.710 85 residues pruned to eliminate duplicates Z: 14 17.844 2.004 0.421 0.821 1.000 0.846 CB 1.315 Z: 13 26.507 2.189 0.675 0.781 1.000 0.833 CA 1.629 13 residues pruned to eliminate duplicates Z: 15 54.321 2.512 1.263 0.932 1.000 0.571 CB 1.783 15 residues pruned to eliminate duplicates Z: 15 27.474 2.167 0.508 0.924 1.000 0.714 CB 1.578 15 residues pruned to eliminate duplicates Z: 29 31.209 2.104 0.780 0.619 0.893 0.607 CB 1.577 14 residues pruned to eliminate duplicates Z: 14 23.237 2.033 0.491 0.815 1.000 0.615 CA 1.616 14 residues pruned to eliminate duplicates Z: 134 78.018 2.311 0.938 0.515 0.910 0.639 CB 1.636 87 residues pruned to eliminate duplicates Z: 17 43.301 2.354 1.203 0.883 0.938 0.812 CB 1.609 17 residues pruned to eliminate duplicates Z: 16 50.517 2.345 1.315 0.895 1.000 0.467 CB 1.722 16 residues pruned to eliminate duplicates Z: 18 13.502 2.014 0.480 0.424 0.824 0.529 CB 1.443 18 residues pruned to eliminate duplicates Z: 15 47.272 2.537 1.001 0.929 1.000 0.357 CA 1.742 15 residues pruned to eliminate duplicates Z: 18 28.281 2.255 0.346 0.899 1.000 0.882 CA 1.615 18 residues pruned to eliminate duplicates Z: 29 23.411 2.109 0.406 0.629 0.929 0.679 CB 1.423 29 residues pruned to eliminate duplicates Z: 17 19.766 1.854 0.747 0.923 0.938 0.938 CA 1.144 17 residues pruned to eliminate duplicates Z: 29 43.367 2.146 1.002 0.582 1.000 0.571 CB 1.763 29 residues pruned to eliminate duplicates Z: 16 30.215 2.400 0.503 0.908 0.933 0.800 CA 1.646 16 residues pruned to eliminate duplicates Z: 6 11.785 2.021 0.606 0.832 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 16 22.073 1.945 0.567 0.934 1.000 0.867 CA 1.304 16 residues pruned to eliminate duplicates Z: 40 54.183 2.441 0.909 0.629 0.923 0.590 CA 1.787 40 residues pruned to eliminate duplicates Z: 7 9.327 1.780 0.742 0.769 1.000 0.667 CB 0.967 7 residues pruned to eliminate duplicates Z: 48 33.618 2.090 0.667 0.453 0.979 0.638 CB 1.508 48 residues pruned to eliminate duplicates Z: 37 20.925 1.980 0.408 0.545 0.944 0.694 CB 1.268 Z: 19 38.849 2.207 0.910 0.894 1.000 0.667 CB 1.559 19 residues pruned to eliminate duplicates Z: 15 29.428 2.195 0.705 0.935 0.929 0.857 CA 1.576 15 residues pruned to eliminate duplicates Z: 13 28.181 2.208 0.823 0.753 1.000 0.667 CA 1.614 13 residues pruned to eliminate duplicates Z: 14 27.030 2.223 0.675 0.930 1.000 1.000 CA 1.407 14 residues pruned to eliminate duplicates Z: 13 26.657 2.228 0.734 0.725 1.000 0.750 CA 1.626 13 residues pruned to eliminate duplicates Z: 16 26.236 2.309 0.721 0.842 0.867 0.667 CB 1.465 16 residues pruned to eliminate duplicates Z: 17 35.094 2.356 0.629 0.892 1.000 0.812 CB 1.643 17 residues pruned to eliminate duplicates Z: 20 26.028 2.138 0.395 0.880 0.947 0.737 CB 1.532 20 residues pruned to eliminate duplicates Z: 33 53.590 2.340 1.073 0.641 0.969 0.625 CB 1.766 32 residues pruned to eliminate duplicates Z: 35 34.166 2.083 0.756 0.536 0.941 0.588 CB 1.644 35 residues pruned to eliminate duplicates Z: 28 17.925 1.834 0.750 0.465 0.815 0.667 CB 1.367 28 residues pruned to eliminate duplicates Z: 10 26.794 2.200 1.021 0.680 1.000 0.778 CA 1.702 Z: 7 2.740 1.779 -0.088 0.492 0.833 0.500 CB 0.834 Z: 19 35.591 2.179 0.958 0.656 1.000 0.667 CB 1.701 24 residues pruned to eliminate duplicates Z: 54 35.354 2.185 0.837 0.431 0.849 0.547 CB 1.531 54 residues pruned to eliminate duplicates Z: 15 33.453 2.414 0.489 0.934 1.000 1.000 CA 1.735 15 residues pruned to eliminate duplicates Z: 94 73.938 2.375 1.024 0.518 0.946 0.591 CB 1.655 94 residues pruned to eliminate duplicates Z: 16 27.026 1.956 0.853 0.931 1.000 0.800 CA 1.345 16 residues pruned to eliminate duplicates Z: 17 29.592 2.299 0.529 0.901 0.938 0.688 CB 1.603 17 residues pruned to eliminate duplicates Z: 14 20.308 1.949 0.667 0.795 1.000 0.846 CB 1.338 14 residues pruned to eliminate duplicates Z: 40 37.911 2.263 0.723 0.484 0.949 0.513 CB 1.668 40 residues pruned to eliminate duplicates Z: 29 38.871 2.181 0.831 0.615 0.964 0.643 CB 1.711 29 residues pruned to eliminate duplicates Z: 30 32.775 2.104 1.005 0.600 0.931 0.517 CB 1.409 30 residues pruned to eliminate duplicates Z: 31 46.874 2.307 0.927 0.616 1.000 0.633 CB 1.725 31 residues pruned to eliminate duplicates Z: 87 69.292 2.418 0.960 0.529 0.884 0.581 CB 1.734 87 residues pruned to eliminate duplicates Z: 13 19.168 2.254 0.608 0.672 0.833 0.667 CA 1.564 13 residues pruned to eliminate duplicates Z: 81 52.911 2.236 0.883 0.463 0.887 0.575 CB 1.644 91 residues pruned to eliminate duplicates Z: 34 35.719 2.116 0.706 0.556 0.970 0.667 CB 1.683 34 residues pruned to eliminate duplicates Z: 11 9.667 1.841 0.866 0.576 0.900 0.700 CB 0.919 Z: 7 6.079 1.965 -0.105 0.573 1.000 0.500 CB 1.315 Z: 17 26.535 2.007 0.847 0.917 1.000 0.688 CB 1.263 20 residues pruned to eliminate duplicates Z: 14 24.093 2.098 0.608 0.781 1.000 0.769 CA 1.545 14 residues pruned to eliminate duplicates Z: 23 24.123 2.109 0.931 0.546 0.864 0.727 CB 1.399 22 residues pruned to eliminate duplicates Z: 60 52.177 2.409 0.921 0.519 0.898 0.559 CB 1.604 60 residues pruned to eliminate duplicates Z: 8 15.203 1.899 0.812 0.611 1.000 0.714 CB 1.503 10 residues pruned to eliminate duplicates Z: 54 27.569 2.001 0.576 0.420 0.943 0.623 CB 1.383 34 residues pruned to eliminate duplicates Z: 14 19.839 2.037 0.408 0.770 0.923 0.538 CA 1.636 14 residues pruned to eliminate duplicates Z: 91 65.503 2.326 0.857 0.552 0.922 0.589 CB 1.647 91 residues pruned to eliminate duplicates Z: 9 9.929 1.493 0.834 0.797 0.875 0.375 N 1.129 9 residues pruned to eliminate duplicates Z: 28 38.325 2.163 0.816 0.624 1.000 0.741 CB 1.671 28 residues pruned to eliminate duplicates Z: 15 23.570 2.137 0.560 0.924 0.929 0.786 CB 1.429 15 residues pruned to eliminate duplicates Z: 14 35.858 2.275 0.925 0.907 1.000 0.615 CB 1.614 14 residues pruned to eliminate duplicates Z: 10 13.870 1.909 0.422 0.815 1.000 0.667 CB 1.295 10 residues pruned to eliminate duplicates Z: 52 35.404 2.060 0.925 0.457 0.922 0.549 CB 1.418 52 residues pruned to eliminate duplicates Z: 15 39.846 2.217 0.933 0.925 1.000 0.714 CB 1.744 15 residues pruned to eliminate duplicates Z: 53 39.952 2.184 0.945 0.447 0.923 0.596 CB 1.492 53 residues pruned to eliminate duplicates Z: 40 31.587 2.075 0.858 0.534 0.897 0.692 CB 1.414 40 residues pruned to eliminate duplicates Z: 29 47.441 2.442 1.097 0.605 0.929 0.607 CB 1.706 29 residues pruned to eliminate duplicates Z: 12 10.477 2.077 0.225 0.574 0.909 0.545 CB 1.271 Z: 29 33.657 2.132 0.779 0.542 0.964 0.679 CA 1.668 29 residues pruned to eliminate duplicates Z: 85 67.377 2.379 1.023 0.533 0.917 0.595 CB 1.613 85 residues pruned to eliminate duplicates Z: 12 19.424 2.099 0.584 0.798 1.000 0.909 CB 1.357 12 residues pruned to eliminate duplicates Z: 32 45.105 2.281 0.922 0.600 1.000 0.613 CB 1.680 32 residues pruned to eliminate duplicates Z: 55 43.697 2.155 0.702 0.596 0.981 0.648 CB 1.507 59 residues pruned to eliminate duplicates Z: 10 23.497 2.118 0.605 0.877 1.000 0.778 CB 1.673 9 residues pruned to eliminate duplicates Z: 30 23.029 2.075 0.627 0.518 0.966 0.690 CA 1.289 30 residues pruned to eliminate duplicates Z: 7 15.536 1.914 0.879 0.868 1.000 1.000 CA 1.290 7 residues pruned to eliminate duplicates Z: 16 25.438 1.858 0.815 0.915 1.000 0.933 CA 1.376 3 residues pruned to eliminate duplicates Z: 9 22.161 2.122 0.845 0.856 0.875 0.625 CA 1.686 9 residues pruned to eliminate duplicates Z: 14 30.087 2.312 0.571 0.932 1.000 0.692 CB 1.603 14 residues pruned to eliminate duplicates Z: 9 4.875 1.631 -0.195 0.562 1.000 0.500 CB 1.236 Z: 16 36.862 2.414 0.949 0.929 0.867 0.667 CB 1.633 16 residues pruned to eliminate duplicates Z: 13 21.942 2.092 0.613 0.800 0.833 0.583 CA 1.732 13 residues pruned to eliminate duplicates Z: 15 23.005 1.915 0.636 0.922 1.000 0.857 CB 1.380 15 residues pruned to eliminate duplicates Z: 89 60.728 2.283 0.818 0.549 0.909 0.727 CB 1.636 89 residues pruned to eliminate duplicates Z: 16 21.405 2.071 0.573 0.907 0.867 0.733 CB 1.392 16 residues pruned to eliminate duplicates Z: 14 34.196 2.264 1.033 0.902 0.923 0.538 CB 1.592 14 residues pruned to eliminate duplicates Z: 31 26.554 2.110 0.559 0.526 0.933 0.733 CB 1.538 29 residues pruned to eliminate duplicates Z: 21 14.941 2.006 0.755 0.421 0.850 0.700 CB 1.212 21 residues pruned to eliminate duplicates Z: 20 27.903 2.019 1.029 0.688 0.947 0.789 CB 1.388 20 residues pruned to eliminate duplicates Z: 56 49.625 2.232 0.880 0.576 0.945 0.673 CB 1.568 113 residues pruned to eliminate duplicates Z: 16 19.608 2.092 0.343 0.883 0.933 0.800 CB 1.396 16 residues pruned to eliminate duplicates Z: 90 69.347 2.379 0.948 0.544 0.933 0.551 CB 1.629 90 residues pruned to eliminate duplicates Z: 20 31.936 2.062 1.012 0.696 1.000 0.842 CB 1.476 20 residues pruned to eliminate duplicates Z: 17 20.298 1.948 0.369 0.876 1.000 0.938 CA 1.382 17 residues pruned to eliminate duplicates Z: 61 46.310 2.195 0.756 0.568 0.933 0.650 CB 1.556 61 residues pruned to eliminate duplicates Z: 8 9.558 1.878 0.657 0.424 0.857 0.714 CB 1.466 Z: 17 23.850 1.882 0.613 0.900 1.000 0.875 CA 1.404 17 residues pruned to eliminate duplicates Z: 30 37.032 2.151 0.800 0.611 1.000 0.655 CB 1.599 Z: 7 3.779 1.822 -0.168 0.555 0.833 0.667 CB 1.157 7 residues pruned to eliminate duplicates Z: 55 38.957 2.338 0.848 0.409 0.852 0.648 CB 1.585 55 residues pruned to eliminate duplicates Z: 46 30.396 2.085 0.763 0.525 0.911 0.511 CB 1.320 40 residues pruned to eliminate duplicates Z: 86 72.819 2.388 0.995 0.550 0.941 0.600 CB 1.678 86 residues pruned to eliminate duplicates Z: 17 17.064 1.767 0.595 0.850 0.938 0.812 CB 1.197 17 residues pruned to eliminate duplicates Z: 17 50.854 2.297 1.159 0.929 1.000 0.500 CA 1.795 17 residues pruned to eliminate duplicates Z: 16 27.894 2.003 0.868 0.923 1.000 0.733 CB 1.353 16 residues pruned to eliminate duplicates Z: 29 36.057 2.139 0.912 0.638 0.929 0.571 CA 1.576 14 residues pruned to eliminate duplicates Z: 53 39.066 2.069 0.890 0.500 0.923 0.558 CB 1.501 53 residues pruned to eliminate duplicates Z: 8 14.251 1.977 0.625 0.731 1.000 0.857 CA 1.362 8 residues pruned to eliminate duplicates Z: 13 14.711 1.884 0.183 0.936 1.000 0.917 CB 1.326 13 residues pruned to eliminate duplicates Z: 13 13.772 1.910 0.565 0.646 0.917 0.917 CA 1.266 Z: 15 23.759 2.126 0.714 0.895 0.929 0.571 CA 1.345 15 residues pruned to eliminate duplicates Z: 16 24.120 1.952 0.701 0.908 0.933 0.867 CA 1.427 16 residues pruned to eliminate duplicates Z: 9 13.774 1.942 0.655 0.661 1.000 0.875 CA 1.305 9 residues pruned to eliminate duplicates Z: 15 31.126 2.178 0.698 0.944 1.000 1.000 CA 1.557 15 residues pruned to eliminate duplicates Z: 12 19.099 2.105 0.698 0.793 1.000 0.545 CB 1.246 12 residues pruned to eliminate duplicates Z: 19 21.925 2.158 0.285 0.899 0.944 0.889 CA 1.410 19 residues pruned to eliminate duplicates Z: 16 20.939 2.033 0.482 0.842 0.933 0.800 CB 1.433 16 residues pruned to eliminate duplicates Z: 7 5.143 2.117 -0.235 0.470 0.833 0.667 CB 1.603 3 residues pruned to eliminate duplicates Z: 13 20.403 2.095 0.736 0.618 0.833 0.750 CB 1.739 13 residues pruned to eliminate duplicates Z: 29 32.194 2.397 0.999 0.350 0.857 0.643 CB 1.743 29 residues pruned to eliminate duplicates Z: 29 35.258 2.097 0.846 0.610 0.964 0.536 CB 1.609 30 residues pruned to eliminate duplicates Z: 17 21.754 2.070 0.821 0.531 0.875 0.625 CB 1.598 17 residues pruned to eliminate duplicates Z: 7 4.815 1.942 -0.398 0.716 1.000 0.500 CB 1.382 6 residues pruned to eliminate duplicates Z: 40 31.008 2.058 0.769 0.529 0.949 0.667 CB 1.397 36 residues pruned to eliminate duplicates Z: 18 27.601 2.289 0.560 0.879 0.882 0.765 CB 1.541 18 residues pruned to eliminate duplicates Z: 15 8.416 1.895 0.558 0.272 0.714 0.286 CB 1.383 12 residues pruned to eliminate duplicates Z: 11 17.224 2.004 0.920 0.743 0.900 0.800 CA 1.265 11 residues pruned to eliminate duplicates Z: 50 45.574 2.164 0.984 0.485 0.959 0.571 CB 1.604 50 residues pruned to eliminate duplicates Z: 30 38.499 2.393 0.935 0.590 0.862 0.414 CB 1.642 30 residues pruned to eliminate duplicates Z: 29 27.373 2.091 0.575 0.606 1.000 0.750 CB 1.420 29 residues pruned to eliminate duplicates Z: 15 24.168 1.893 0.637 0.932 1.000 0.929 CB 1.456 15 residues pruned to eliminate duplicates Z: 20 23.853 1.891 0.736 0.890 1.000 0.632 CB 1.200 20 residues pruned to eliminate duplicates Z: 15 21.859 2.134 0.441 0.909 0.929 0.786 CB 1.452 15 residues pruned to eliminate duplicates Z: 28 21.906 2.015 0.389 0.598 0.926 0.556 CA 1.482 28 residues pruned to eliminate duplicates Z: 9 23.730 2.206 0.807 0.806 1.000 0.625 CB 1.612 9 residues pruned to eliminate duplicates Z: 32 20.054 1.863 0.635 0.513 0.903 0.677 CB 1.293 32 residues pruned to eliminate duplicates Z: 15 20.382 1.880 0.547 0.914 1.000 0.786 CB 1.325 15 residues pruned to eliminate duplicates Z: 24 28.808 2.006 0.769 0.662 0.957 0.783 CA 1.523 24 residues pruned to eliminate duplicates Z: 7 4.617 2.017 -0.234 0.666 0.833 0.833 CB 1.256 6 residues pruned to eliminate duplicates Z: 11 16.368 2.158 0.522 0.793 0.900 0.700 CB 1.355 11 residues pruned to eliminate duplicates Z: 10 24.845 2.103 1.084 0.718 1.000 0.778 CA 1.551 10 residues pruned to eliminate duplicates Z: 25 20.462 1.981 0.698 0.523 0.833 0.583 CB 1.456 25 residues pruned to eliminate duplicates Z: 103 59.816 2.286 0.947 0.476 0.873 0.667 CB 1.562 103 residues pruned to eliminate duplicates Z: 16 22.204 1.892 0.730 0.903 1.000 0.867 CA 1.249 16 residues pruned to eliminate duplicates Z: 44 52.902 2.263 0.965 0.564 1.000 0.628 CB 1.706 44 residues pruned to eliminate duplicates Z: 15 15.438 2.092 0.428 0.580 0.857 0.714 CB 1.492 24 residues pruned to eliminate duplicates Z: 16 18.892 1.911 0.521 0.864 0.933 0.600 CA 1.319 16 residues pruned to eliminate duplicates Z: 30 33.527 2.016 0.996 0.578 0.966 0.586 CB 1.487 30 residues pruned to eliminate duplicates Z: 87 61.697 2.200 0.789 0.607 0.942 0.721 CB 1.621 134 residues pruned to eliminate duplicates Z: 6 5.585 1.613 0.190 0.803 0.800 0.600 CB 1.248 6 residues pruned to eliminate duplicates Z: 11 6.347 1.596 0.405 0.440 0.800 0.600 CA 1.191 Z: 8 9.981 1.831 0.498 0.427 1.000 0.714 O 1.484 8 residues pruned to eliminate duplicates Z: 39 45.986 2.351 0.794 0.538 0.947 0.658 CB 1.799 39 residues pruned to eliminate duplicates Z: 7 7.466 1.569 0.431 0.881 1.000 0.667 CB 0.983 7 residues pruned to eliminate duplicates Z: 6 4.139 1.989 -0.165 0.489 0.800 0.800 CA 1.408 Z: 134 74.912 2.335 0.800 0.514 0.910 0.624 CB 1.675 134 residues pruned to eliminate duplicates Z: 16 19.500 1.848 0.375 0.938 1.000 0.867 CA 1.378 16 residues pruned to eliminate duplicates Z: 11 20.661 2.195 0.402 0.842 0.900 0.400 CA 1.758 11 residues pruned to eliminate duplicates Z: 19 15.389 1.908 0.397 0.623 0.889 0.778 CB 1.364 19 residues pruned to eliminate duplicates Z: 22 19.114 2.062 0.533 0.534 0.905 0.524 CB 1.410 Z: 22 20.585 2.036 0.432 0.639 1.000 0.714 CB 1.353 14 residues pruned to eliminate duplicates Z: 10 16.866 2.252 1.138 0.477 0.889 0.667 CA 1.344 10 residues pruned to eliminate duplicates Z: 9 5.986 1.870 -0.171 0.727 1.000 0.875 CB 1.113 Z: 15 22.717 1.950 0.616 0.910 0.929 0.786 CA 1.472 15 residues pruned to eliminate duplicates Z: 11 21.321 2.007 0.884 0.771 0.900 0.700 CB 1.558 11 residues pruned to eliminate duplicates Z: 17 19.687 1.993 0.577 0.882 0.938 0.750 CB 1.209 17 residues pruned to eliminate duplicates Z: 9 14.470 2.042 0.380 0.676 1.000 0.875 CA 1.544 Z: 10 14.817 1.893 0.655 0.823 0.889 0.556 CA 1.340 10 residues pruned to eliminate duplicates Z: 7 2.136 1.725 0.767 0.240 0.500 0.500 CB 0.773 7 residues pruned to eliminate duplicates Z: 26 30.436 2.131 0.780 0.642 1.000 0.880 CB 1.405 29 residues pruned to eliminate duplicates Z: 19 30.418 2.066 1.120 0.694 1.000 0.889 CB 1.371 19 residues pruned to eliminate duplicates Z: 13 20.427 2.059 0.563 0.823 1.000 0.667 CA 1.385 Z: 13 14.667 2.054 0.389 0.766 1.000 0.917 CB 1.173 13 residues pruned to eliminate duplicates Z: 10 13.221 1.920 0.637 0.834 0.889 0.556 CA 1.183 10 residues pruned to eliminate duplicates Z: 6 8.580 1.885 0.401 0.871 1.000 0.800 CA 1.059 6 residues pruned to eliminate duplicates Z: 50 26.428 2.043 0.548 0.460 0.918 0.653 CB 1.354 50 residues pruned to eliminate duplicates Z: 16 18.738 1.951 0.524 0.895 0.933 0.733 CB 1.249 16 residues pruned to eliminate duplicates Z: 19 40.632 2.498 0.919 0.732 0.889 0.667 CB 1.825 19 residues pruned to eliminate duplicates Z: 15 36.971 2.189 1.098 0.901 0.929 0.571 CA 1.654 15 residues pruned to eliminate duplicates Z: 9 19.003 2.188 0.504 0.862 1.000 0.875 CB 1.500 13 residues pruned to eliminate duplicates Z: 10 12.431 1.843 0.503 0.643 0.889 0.667 CA 1.472 10 residues pruned to eliminate duplicates Z: 15 18.331 1.886 0.361 0.917 1.000 0.929 CB 1.347 15 residues pruned to eliminate duplicates Z: 11 16.887 1.998 0.655 0.713 1.000 0.600 CB 1.332 11 residues pruned to eliminate duplicates Z: 17 19.954 1.889 0.649 0.879 0.938 0.688 CA 1.239 17 residues pruned to eliminate duplicates Z: 93 66.609 2.350 0.953 0.523 0.902 0.598 CB 1.640 93 residues pruned to eliminate duplicates Z: 17 26.826 1.859 0.984 0.881 0.938 0.500 CB 1.405 17 residues pruned to eliminate duplicates Z: 102 67.124 2.323 0.884 0.505 0.931 0.644 CB 1.632 102 residues pruned to eliminate duplicates Z: 25 40.363 2.537 0.772 0.653 0.917 0.625 CB 1.734 25 residues pruned to eliminate duplicates Z: 29 29.918 2.079 0.642 0.579 0.964 0.607 CB 1.592 32 residues pruned to eliminate duplicates Z: 26 31.775 2.070 0.820 0.621 0.960 0.600 CA 1.569 26 residues pruned to eliminate duplicates Z: 21 11.088 1.750 0.334 0.436 0.800 0.350 CB 1.419 21 residues pruned to eliminate duplicates Z: 26 28.215 2.136 0.550 0.616 0.960 0.720 CA 1.589 26 residues pruned to eliminate duplicates Z: 10 6.928 1.804 0.886 0.360 0.778 0.333 CB 1.015 10 residues pruned to eliminate duplicates Z: 13 18.080 2.185 0.776 0.491 0.917 0.667 CB 1.481 13 residues pruned to eliminate duplicates Z: 7 2.565 1.578 0.635 0.360 0.833 0.500 CB 0.566 Z: 19 8.819 1.710 0.840 0.432 0.667 0.556 CA 1.063 19 residues pruned to eliminate duplicates Z: 29 24.250 1.987 0.699 0.588 0.929 0.750 CA 1.344 29 residues pruned to eliminate duplicates Z: 13 21.722 2.160 0.637 0.772 0.917 0.750 CA 1.521 13 residues pruned to eliminate duplicates Z: 10 14.673 1.893 0.966 0.553 0.889 0.667 CA 1.404 10 residues pruned to eliminate duplicates Z: 72 35.010 1.999 0.676 0.526 0.887 0.662 CB 1.362 72 residues pruned to eliminate duplicates Z: 12 11.809 1.995 0.211 0.787 0.909 0.545 CB 1.260 12 residues pruned to eliminate duplicates Z: 12 11.694 1.916 0.797 0.742 0.818 0.545 CB 1.007 12 residues pruned to eliminate duplicates Z: 17 22.677 1.978 0.670 0.633 0.938 0.625 CB 1.616 17 residues pruned to eliminate duplicates Z: 13 20.227 2.051 0.643 0.806 1.000 0.750 CA 1.327 13 residues pruned to eliminate duplicates Z: 14 17.433 2.041 0.577 0.672 1.000 0.692 CB 1.283 14 residues pruned to eliminate duplicates Z: 18 26.945 2.266 0.389 0.911 0.941 0.882 CB 1.564 18 residues pruned to eliminate duplicates Z: 8 4.716 1.612 0.593 0.451 0.857 0.429 C 0.852 8 residues pruned to eliminate duplicates Z: 12 23.932 1.904 0.971 0.876 0.909 0.455 CA 1.537 12 residues pruned to eliminate duplicates Z: 14 43.571 2.616 1.026 0.910 0.923 0.692 CA 1.751 14 residues pruned to eliminate duplicates Z: 6 10.788 1.890 0.619 0.694 1.000 0.600 CB 1.320 Z: 21 48.869 2.377 1.108 0.740 1.000 0.550 CA 1.758 21 residues pruned to eliminate duplicates Z: 7 19.963 2.306 0.724 0.831 1.000 1.000 CB 1.540 7 residues pruned to eliminate duplicates Z: 32 32.515 2.080 0.854 0.586 0.871 0.548 CA 1.601 32 residues pruned to eliminate duplicates Z: 6 2.907 1.685 0.346 0.298 1.000 0.600 CB 0.719 Z: 6 2.549 1.510 0.000 0.425 0.800 0.600 CB 1.020 Z: 11 19.387 2.019 0.746 0.695 1.000 0.800 CB 1.456 10 residues pruned to eliminate duplicates Z: 16 13.159 1.755 0.326 0.708 0.933 0.800 CB 1.296 16 residues pruned to eliminate duplicates Z: 31 24.431 1.872 0.817 0.591 0.867 0.533 CB 1.387 25 residues pruned to eliminate duplicates Z: 30 50.018 2.321 1.031 0.605 0.966 0.690 CB 1.847 30 residues pruned to eliminate duplicates Z: 29 20.093 2.145 0.862 0.256 0.857 0.571 CB 1.468 29 residues pruned to eliminate duplicates Z: 32 24.938 2.042 0.612 0.559 0.935 0.548 CB 1.373 27 residues pruned to eliminate duplicates Z: 17 23.011 1.907 0.853 0.843 1.000 0.500 CB 1.212 17 residues pruned to eliminate duplicates Z: 11 7.260 1.796 0.300 0.408 0.900 0.500 CA 1.204 11 residues pruned to eliminate duplicates Z: 8 6.105 1.877 0.002 0.529 0.857 0.714 CB 1.391 7 residues pruned to eliminate duplicates 6 1.293 1.474 0.845 0.554 0.800 0.600 CB 0.252 ? Z: 8 12.155 2.020 0.231 0.854 1.000 0.571 CB 1.364 8 residues pruned to eliminate duplicates Z: 16 22.925 2.053 0.673 0.902 1.000 0.600 CB 1.229 16 residues pruned to eliminate duplicates Z: 24 45.238 2.388 0.896 0.769 0.957 0.696 CA 1.716 24 residues pruned to eliminate duplicates Z: 9 12.301 1.675 0.827 0.881 1.000 1.000 CA 1.029 9 residues pruned to eliminate duplicates Z: 15 21.649 1.868 0.615 0.896 1.000 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 72 54.825 2.375 0.928 0.466 0.901 0.634 CB 1.632 72 residues pruned to eliminate duplicates Z: 9 17.729 1.964 0.859 0.881 0.875 0.750 CA 1.421 9 residues pruned to eliminate duplicates Z: 16 17.264 1.887 0.479 0.884 1.000 0.867 CB 1.154 16 residues pruned to eliminate duplicates Z: 32 23.848 1.855 0.784 0.558 0.871 0.677 CB 1.404 28 residues pruned to eliminate duplicates Z: 6 4.368 1.898 0.110 0.382 0.800 0.400 CB 1.313 6 residues pruned to eliminate duplicates Z: 8 8.018 2.001 0.504 0.451 0.857 0.429 CA 1.236 8 residues pruned to eliminate duplicates Z: 6 4.369 1.742 -0.013 0.562 1.000 0.800 N 1.070 6 residues pruned to eliminate duplicates Z: 31 23.731 2.060 0.497 0.601 0.933 0.633 CB 1.367 31 residues pruned to eliminate duplicates Z: 6 5.158 1.702 0.522 0.567 0.600 0.600 CB 1.392 6 residues pruned to eliminate duplicates Z: 9 22.557 2.104 0.834 0.862 1.000 0.625 CA 1.518 10 residues pruned to eliminate duplicates Z: 7 5.887 2.084 0.491 0.781 0.500 0.333 CB 1.208 7 residues pruned to eliminate duplicates Z: 30 20.900 2.045 0.453 0.517 0.931 0.621 CB 1.381 30 residues pruned to eliminate duplicates Z: 34 22.060 1.986 0.725 0.426 0.909 0.576 CB 1.332 34 residues pruned to eliminate duplicates Z: 15 4.476 1.717 0.045 0.332 0.714 0.429 CB 1.121 6 residues pruned to eliminate duplicates Z: 6 4.454 1.576 0.180 0.493 1.000 0.800 C 1.079 Z: 6 2.008 1.757 0.380 0.299 1.000 0.600 CB 0.464 Z: 11 19.530 1.984 0.879 0.819 0.800 0.600 CB 1.570 9 residues pruned to eliminate duplicates Z: 13 17.221 2.042 0.445 0.824 1.000 0.750 CA 1.273 13 residues pruned to eliminate duplicates Z: 17 23.615 1.875 0.841 0.886 1.000 0.688 CA 1.234 17 residues pruned to eliminate duplicates Z: 15 32.597 1.995 1.057 0.908 1.000 0.500 CB 1.508 15 residues pruned to eliminate duplicates Z: 62 52.564 2.226 0.847 0.564 0.934 0.689 CB 1.645 94 residues pruned to eliminate duplicates Z: 17 18.901 1.977 0.844 0.898 0.875 0.750 CB 1.059 17 residues pruned to eliminate duplicates Z: 9 8.802 1.940 0.329 0.391 0.875 0.750 CA 1.548 9 residues pruned to eliminate duplicates Z: 14 19.412 1.914 0.381 0.922 1.000 0.769 CB 1.433 14 residues pruned to eliminate duplicates Z: 9 6.428 1.642 0.515 0.398 0.875 0.625 CB 1.162 Z: 14 18.805 1.968 0.628 0.801 1.000 0.846 CB 1.250 14 residues pruned to eliminate duplicates Z: 32 25.629 2.064 0.811 0.576 0.871 0.484 CB 1.314 32 residues pruned to eliminate duplicates Z: 10 3.829 1.843 0.126 0.268 0.667 0.556 CA 1.202 10 residues pruned to eliminate duplicates Z: 9 6.399 1.767 0.819 0.397 0.875 0.500 CB 0.896 9 residues pruned to eliminate duplicates Z: 7 2.872 1.466 0.030 0.364 1.000 0.667 N 0.899 5 residues pruned to eliminate duplicates Z: 7 17.936 2.049 1.257 0.579 1.000 0.667 CB 1.467 6 1.762 1.109 0.556 0.356 0.800 0.400 CA 0.667 ? Z: 11 13.689 1.825 0.601 0.817 0.900 0.700 CB 1.250 11 residues pruned to eliminate duplicates Z: 12 15.222 1.845 0.469 0.812 1.000 0.364 CB 1.291 12 residues pruned to eliminate duplicates Z: 29 23.320 2.054 0.523 0.580 0.964 0.786 CB 1.354 6 1.095 1.279 0.044 0.409 0.600 0.400 CB 0.673 ? Z: 12 24.202 2.063 0.908 0.802 1.000 0.909 CB 1.424 12 residues pruned to eliminate duplicates Z: 10 5.898 1.753 0.055 0.491 0.889 0.667 CB 1.207 Z: 8 6.347 1.623 0.705 0.457 0.857 0.571 O 1.056 8 residues pruned to eliminate duplicates Z: 30 27.234 2.062 0.684 0.567 0.897 0.724 CB 1.522 30 residues pruned to eliminate duplicates Z: 14 14.919 2.124 0.385 0.548 0.846 0.769 CA 1.586 14 residues pruned to eliminate duplicates Z: 15 18.112 1.834 0.445 0.864 1.000 0.714 CB 1.339 15 residues pruned to eliminate duplicates Z: 15 15.089 1.818 0.257 0.927 1.000 0.929 CB 1.236 15 residues pruned to eliminate duplicates Z: 46 48.868 2.308 0.975 0.503 0.911 0.600 CB 1.749 46 residues pruned to eliminate duplicates Z: 43 41.119 2.303 0.698 0.566 0.929 0.595 CB 1.640 43 residues pruned to eliminate duplicates Z: 7 3.311 1.948 -0.167 0.483 0.833 0.500 CB 1.017 Z: 8 5.518 2.137 -0.081 0.506 1.000 0.714 CB 1.055 7 residues pruned to eliminate duplicates Z: 7 6.802 1.810 0.650 0.588 1.000 0.667 CB 0.855 Z: 15 5.265 1.576 0.636 0.244 0.643 0.357 N 1.141 15 residues pruned to eliminate duplicates Z: 10 22.633 1.908 0.885 0.918 1.000 0.778 CA 1.479 9 residues pruned to eliminate duplicates Z: 28 36.374 2.160 0.725 0.629 1.000 0.667 CB 1.664 30 residues pruned to eliminate duplicates Z: 10 12.463 1.799 0.914 0.365 0.889 0.778 O 1.568 10 residues pruned to eliminate duplicates Z: 23 29.432 2.132 0.632 0.673 1.000 0.727 CB 1.538 23 residues pruned to eliminate duplicates 6 0.800 1.350 -0.033 0.291 0.800 0.600 CB 0.433 ? Z: 10 25.561 2.105 0.778 0.872 1.000 0.778 CA 1.659 11 residues pruned to eliminate duplicates Z: 15 26.870 1.962 0.958 0.925 0.929 0.500 CB 1.412 15 residues pruned to eliminate duplicates Z: 11 18.159 2.082 0.702 0.913 0.900 0.400 CA 1.274 11 residues pruned to eliminate duplicates Z: 14 3.899 1.622 0.485 0.429 0.923 0.462 CB 0.524 Z: 13 12.428 2.118 0.429 0.562 0.917 0.667 CB 1.218 13 residues pruned to eliminate duplicates Z: 18 23.156 1.924 0.746 0.872 0.941 0.824 CB 1.295 18 residues pruned to eliminate duplicates 7 1.391 1.410 0.158 0.265 0.500 0.500 CB 0.909 ? Z: 9 3.533 1.609 -0.092 0.530 0.875 0.625 CB 0.948 Z: 61 51.143 2.367 0.954 0.441 0.917 0.550 CB 1.654 61 residues pruned to eliminate duplicates Z: 17 29.075 1.922 1.107 0.917 0.938 0.688 CA 1.351 17 residues pruned to eliminate duplicates Z: 15 18.340 2.093 0.853 0.409 0.857 0.643 CB 1.623 15 residues pruned to eliminate duplicates Z: 22 37.731 2.328 0.798 0.622 1.000 0.667 CB 1.754 22 residues pruned to eliminate duplicates Z: 29 43.042 2.400 0.900 0.585 0.964 0.536 CB 1.706 29 residues pruned to eliminate duplicates Z: 8 10.819 1.986 0.661 0.458 0.857 0.714 CB 1.509 8 residues pruned to eliminate duplicates Z: 13 18.132 1.978 0.461 0.820 1.000 0.833 CA 1.372 13 residues pruned to eliminate duplicates Z: 30 20.309 1.866 0.742 0.508 0.897 0.552 CB 1.284 30 residues pruned to eliminate duplicates Z: 16 23.358 1.846 0.677 0.914 1.000 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 15 37.895 2.202 1.112 0.942 0.929 0.786 CB 1.627 15 residues pruned to eliminate duplicates Z: 8 6.405 1.666 0.424 0.699 0.857 0.429 CB 0.993 8 residues pruned to eliminate duplicates Z: 16 12.560 1.999 0.304 0.512 0.867 0.467 CB 1.418 16 residues pruned to eliminate duplicates Z: 6 5.851 1.693 0.590 0.413 1.000 0.600 CB 1.064 6 residues pruned to eliminate duplicates Z: 17 37.894 2.464 0.945 0.700 1.000 0.625 CA 1.647 21 residues pruned to eliminate duplicates Z: 89 39.696 2.022 0.658 0.519 0.920 0.614 CB 1.347 89 residues pruned to eliminate duplicates Z: 29 22.837 1.993 0.765 0.452 0.857 0.607 CB 1.503 28 residues pruned to eliminate duplicates Z: 11 12.444 1.710 0.336 0.870 1.000 0.700 CB 1.258 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 22 18.616 2.122 0.436 0.520 0.952 0.619 CB 1.372 22 residues pruned to eliminate duplicates Z: 6 3.453 1.666 0.682 0.221 0.600 0.200 CB 1.273 6 residues pruned to eliminate duplicates Z: 22 17.694 2.128 0.503 0.451 0.905 0.571 CB 1.403 22 residues pruned to eliminate duplicates Z: 61 47.256 2.230 0.725 0.526 0.917 0.650 CB 1.687 61 residues pruned to eliminate duplicates Z: 56 38.947 2.139 0.735 0.558 0.891 0.709 CB 1.501 58 residues pruned to eliminate duplicates Z: 6 3.892 1.788 0.292 0.301 0.800 0.600 CA 1.176 6 residues pruned to eliminate duplicates Z: 14 11.790 1.999 0.205 0.550 0.923 0.462 CB 1.400 10 residues pruned to eliminate duplicates Z: 9 15.010 2.038 0.614 0.815 0.875 0.500 CA 1.402 9 residues pruned to eliminate duplicates Z: 13 16.645 2.046 0.441 0.563 1.000 0.667 CA 1.533 20 residues pruned to eliminate duplicates Z: 9 26.739 2.150 0.991 0.875 1.000 0.750 CB 1.606 10 residues pruned to eliminate duplicates Z: 10 17.369 1.959 0.740 0.908 1.000 0.556 CA 1.206 10 residues pruned to eliminate duplicates Z: 16 12.402 1.964 0.543 0.455 0.800 0.533 CB 1.383 16 residues pruned to eliminate duplicates Z: 17 15.326 1.942 0.622 0.478 0.875 0.562 CB 1.421 18 residues pruned to eliminate duplicates Z: 14 24.933 2.399 0.351 0.789 1.000 0.769 CA 1.655 14 residues pruned to eliminate duplicates Z: 26 29.799 2.143 0.603 0.617 1.000 0.760 CA 1.553 26 residues pruned to eliminate duplicates Z: 26 29.366 2.073 0.680 0.600 1.000 0.680 CA 1.533 26 residues pruned to eliminate duplicates Z: 26 30.077 2.167 0.615 0.609 0.960 0.680 CA 1.614 26 residues pruned to eliminate duplicates Z: 15 30.803 2.169 0.687 0.914 1.000 0.786 CB 1.591 15 residues pruned to eliminate duplicates Z: 26 33.424 2.170 0.778 0.608 0.960 0.680 CA 1.628 26 residues pruned to eliminate duplicates Z: 13 30.498 2.284 0.570 0.941 1.000 0.667 CB 1.704 13 residues pruned to eliminate duplicates Z: 29 26.721 2.107 0.596 0.606 0.893 0.500 CB 1.520 29 residues pruned to eliminate duplicates Z: 28 35.772 2.180 0.830 0.647 0.926 0.630 CB 1.625 28 residues pruned to eliminate duplicates Z: 28 27.439 2.135 0.561 0.580 0.963 0.481 CB 1.524 28 residues pruned to eliminate duplicates Z: 26 30.937 2.178 0.642 0.596 0.960 0.520 CB 1.644 26 residues pruned to eliminate duplicates Z: 26 31.113 2.178 0.719 0.623 0.960 0.640 CA 1.542 26 residues pruned to eliminate duplicates Z: 26 30.380 2.164 0.720 0.614 0.920 0.440 CB 1.593 26 residues pruned to eliminate duplicates Z: 77 37.869 2.034 0.592 0.498 0.947 0.632 CB 1.419 104 residues pruned to eliminate duplicates Z: 17 33.148 2.175 0.908 0.802 1.000 0.625 CA 1.533 17 residues pruned to eliminate duplicates Z: 28 32.611 2.143 0.842 0.613 0.889 0.704 CB 1.607 32 residues pruned to eliminate duplicates Z: 6 7.063 1.664 0.845 0.450 0.800 0.400 O 1.353 6 residues pruned to eliminate duplicates Z: 25 32.518 2.118 0.788 0.618 1.000 0.417 CA 1.568 24 residues pruned to eliminate duplicates Z: 6 4.222 1.540 0.922 0.288 0.600 0.600 O 1.349 Z: 6 4.285 1.650 0.439 0.420 1.000 0.600 CA 0.878 Z: 19 19.765 1.754 0.715 0.768 1.000 0.778 CB 1.222 4 residues pruned to eliminate duplicates Z: 17 15.507 1.782 0.495 0.719 0.875 0.562 CA 1.365 17 residues pruned to eliminate duplicates Z: 97 45.760 2.032 0.657 0.542 0.917 0.625 CB 1.452 120 residues pruned to eliminate duplicates Z: 15 20.274 1.905 0.527 0.889 0.929 0.714 CB 1.445 15 residues pruned to eliminate duplicates Z: 74 31.731 1.956 0.527 0.506 0.904 0.630 CB 1.368 74 residues pruned to eliminate duplicates Z: 46 40.656 1.998 0.860 0.666 0.933 0.578 CA 1.499 47 residues pruned to eliminate duplicates Z: 15 25.946 1.890 1.046 0.918 1.000 0.571 CB 1.265 15 residues pruned to eliminate duplicates Z: 40 21.745 1.843 0.624 0.528 0.846 0.538 CB 1.338 40 residues pruned to eliminate duplicates Z: 40 24.223 1.898 0.631 0.492 0.923 0.513 CB 1.368 40 residues pruned to eliminate duplicates Z: 97 48.157 2.033 0.695 0.547 0.979 0.562 CB 1.392 97 residues pruned to eliminate duplicates Z: 14 20.012 1.679 0.986 0.911 0.923 0.385 CB 1.279 14 residues pruned to eliminate duplicates Z: 42 23.611 1.917 0.730 0.459 0.829 0.585 CB 1.398 42 residues pruned to eliminate duplicates Z: 21 13.770 1.845 0.672 0.634 0.750 0.350 CB 1.174 21 residues pruned to eliminate duplicates Z: 61 39.243 2.006 0.733 0.555 0.917 0.583 CB 1.506 61 residues pruned to eliminate duplicates Z: 71 37.588 2.019 0.679 0.520 0.929 0.714 CB 1.400 71 residues pruned to eliminate duplicates Z: 33 23.741 1.909 0.765 0.504 0.875 0.562 CB 1.417 33 residues pruned to eliminate duplicates Z: 75 36.784 1.981 0.714 0.521 0.919 0.662 CB 1.343 75 residues pruned to eliminate duplicates Z: 92 44.198 2.031 0.622 0.517 0.956 0.560 CB 1.446 92 residues pruned to eliminate duplicates Z: 8 4.607 1.394 0.816 0.372 0.714 0.429 CA 1.104 8 residues pruned to eliminate duplicates Z: 62 42.563 2.019 0.776 0.562 0.967 0.639 CB 1.479 62 residues pruned to eliminate duplicates Z: 7 5.356 1.661 0.464 0.342 0.833 0.667 O 1.283 7 residues pruned to eliminate duplicates Z: 75 32.904 2.022 0.652 0.428 0.919 0.676 CB 1.342 52 residues pruned to eliminate duplicates Z: 6 5.656 1.885 0.198 0.457 0.800 0.600 CA 1.463 6 residues pruned to eliminate duplicates Z: 20 7.682 1.826 0.436 0.162 0.737 0.474 CB 1.378 20 residues pruned to eliminate duplicates Z: 59 28.918 1.887 0.780 0.423 0.897 0.621 CB 1.365 59 residues pruned to eliminate duplicates Z: 52 26.055 2.038 0.571 0.433 0.882 0.647 CB 1.384 52 residues pruned to eliminate duplicates Z: 71 35.626 2.006 0.630 0.518 0.943 0.714 CB 1.357 71 residues pruned to eliminate duplicates Z: 49 26.151 1.993 0.612 0.384 0.958 0.542 CB 1.387 49 residues pruned to eliminate duplicates Z: 72 34.353 2.014 0.601 0.501 0.915 0.634 CB 1.380 72 residues pruned to eliminate duplicates Z: 89 40.686 2.037 0.705 0.515 0.920 0.693 CB 1.336 89 residues pruned to eliminate duplicates Z: 44 23.844 1.914 0.717 0.447 0.907 0.465 CB 1.288 44 residues pruned to eliminate duplicates Z: 37 22.421 2.052 0.442 0.515 0.944 0.583 CB 1.317 37 residues pruned to eliminate duplicates Z: 31 16.065 1.970 0.600 0.220 0.967 0.700 CB 1.338 31 residues pruned to eliminate duplicates Z: 99 40.460 2.034 0.640 0.499 0.929 0.622 CB 1.321 99 residues pruned to eliminate duplicates Z: 49 28.561 2.085 0.603 0.488 0.958 0.667 CB 1.303 49 residues pruned to eliminate duplicates Z: 34 22.955 2.064 0.455 0.549 0.939 0.697 CB 1.350 34 residues pruned to eliminate duplicates Z: 72 31.655 1.987 0.555 0.519 0.915 0.620 CB 1.304 72 residues pruned to eliminate duplicates Z: 54 30.664 2.090 0.575 0.525 0.906 0.604 CB 1.378 54 residues pruned to eliminate duplicates Z: 98 45.776 2.029 0.656 0.552 0.928 0.660 CB 1.418 98 residues pruned to eliminate duplicates Z: 90 38.256 2.012 0.612 0.534 0.944 0.596 CB 1.280 90 residues pruned to eliminate duplicates Z: 45 28.305 2.101 0.546 0.565 0.955 0.614 CB 1.292 45 residues pruned to eliminate duplicates Z: 52 26.005 1.990 0.527 0.434 0.961 0.569 CB 1.335 52 residues pruned to eliminate duplicates Z: 27 21.656 2.081 0.643 0.580 0.923 0.462 CB 1.246 27 residues pruned to eliminate duplicates Z: 43 31.635 2.158 0.622 0.582 0.976 0.667 CB 1.321 43 residues pruned to eliminate duplicates Z: 24 21.722 1.965 0.612 0.646 0.913 0.609 CB 1.367 24 residues pruned to eliminate duplicates Z: 115 47.778 2.048 0.628 0.536 0.921 0.588 CB 1.407 115 residues pruned to eliminate duplicates Z: 44 25.644 2.044 0.536 0.597 0.884 0.581 CB 1.284 44 residues pruned to eliminate duplicates Z: 113 45.532 2.040 0.649 0.539 0.929 0.589 CB 1.325 113 residues pruned to eliminate duplicates Z: 24 21.280 2.111 0.405 0.663 0.913 0.609 CB 1.408 24 residues pruned to eliminate duplicates Z: 23 21.549 2.024 0.470 0.708 0.955 0.591 CB 1.339 23 residues pruned to eliminate duplicates Z: 32 29.720 2.062 0.705 0.597 1.000 0.710 CB 1.384 32 residues pruned to eliminate duplicates Z: 27 20.670 2.042 0.473 0.639 0.923 0.731 CB 1.282 27 residues pruned to eliminate duplicates Z: 26 26.717 2.092 0.613 0.692 0.960 0.520 CB 1.384 26 residues pruned to eliminate duplicates Z: 44 28.524 2.092 0.555 0.594 0.930 0.628 CB 1.314 44 residues pruned to eliminate duplicates Z: 25 26.590 2.126 0.675 0.668 0.958 0.625 CB 1.362 25 residues pruned to eliminate duplicates Z: 27 28.147 2.098 0.619 0.673 1.000 0.577 CB 1.385 27 residues pruned to eliminate duplicates Z: 68 31.820 2.073 0.625 0.477 0.896 0.627 CB 1.319 68 residues pruned to eliminate duplicates Z: 26 29.665 2.140 0.794 0.652 0.960 0.680 CB 1.397 26 residues pruned to eliminate duplicates Z: 31 28.518 2.061 0.687 0.638 0.933 0.533 CB 1.409 31 residues pruned to eliminate duplicates Z: 40 27.902 2.077 0.689 0.660 0.897 0.590 CB 1.223 40 residues pruned to eliminate duplicates Z: 24 25.196 2.110 0.710 0.671 0.913 0.609 CB 1.362 24 residues pruned to eliminate duplicates Z: 43 31.227 2.153 0.703 0.567 0.929 0.452 CB 1.326 43 residues pruned to eliminate duplicates Z: 13 23.051 2.224 0.574 0.728 1.000 0.667 CB 1.548 13 residues pruned to eliminate duplicates Z: 15 25.094 2.290 0.876 0.577 0.857 0.714 CB 1.690 15 residues pruned to eliminate duplicates Z: 14 21.395 2.290 0.673 0.634 1.000 0.538 CB 1.366 14 residues pruned to eliminate duplicates Z: 23 18.565 1.983 0.642 0.425 0.955 0.500 CB 1.377 23 residues pruned to eliminate duplicates Z: 16 18.522 2.187 0.653 0.554 0.867 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 19 23.997 2.126 0.776 0.484 1.000 0.611 CB 1.522 19 residues pruned to eliminate duplicates Z: 17 23.420 2.171 0.723 0.552 1.000 0.562 CB 1.487 17 residues pruned to eliminate duplicates Z: 17 19.052 2.150 0.467 0.537 0.938 0.688 CB 1.554 17 residues pruned to eliminate duplicates Z: 16 24.066 2.238 0.685 0.514 1.000 0.533 CB 1.625 16 residues pruned to eliminate duplicates Z: 16 25.784 2.231 0.732 0.599 1.000 0.600 CB 1.567 16 residues pruned to eliminate duplicates Z: 16 25.101 2.205 0.843 0.578 1.000 0.667 CB 1.479 16 residues pruned to eliminate duplicates Z: 18 24.146 2.127 0.815 0.512 1.000 0.706 CB 1.500 18 residues pruned to eliminate duplicates Z: 29 14.021 1.882 0.700 0.348 0.857 0.536 CB 1.140 22 residues pruned to eliminate duplicates Z: 6 5.799 1.739 0.647 0.463 0.800 0.200 CA 1.176 6 residues pruned to eliminate duplicates Z: 30 38.911 2.432 0.707 0.562 0.931 0.483 CA 1.759 30 residues pruned to eliminate duplicates Z: 29 41.728 2.445 0.719 0.591 0.964 0.607 CA 1.783 29 residues pruned to eliminate duplicates Z: 29 43.412 2.530 0.773 0.620 0.893 0.607 CA 1.829 29 residues pruned to eliminate duplicates Z: 28 38.386 2.429 0.637 0.565 1.000 0.593 CA 1.744 28 residues pruned to eliminate duplicates Z: 29 46.260 2.439 0.917 0.594 0.964 0.714 CA 1.772 29 residues pruned to eliminate duplicates Z: 30 38.976 2.403 0.775 0.535 0.931 0.517 CA 1.761 30 residues pruned to eliminate duplicates Z: 30 44.546 2.425 0.745 0.590 1.000 0.655 CB 1.793 30 residues pruned to eliminate duplicates Z: 29 41.211 2.492 0.687 0.608 0.893 0.536 CA 1.874 29 residues pruned to eliminate duplicates Z: 31 47.587 2.435 0.877 0.605 0.967 0.567 CA 1.779 31 residues pruned to eliminate duplicates Z: 29 49.488 2.430 0.926 0.589 1.000 0.536 CB 1.836 29 residues pruned to eliminate duplicates Z: 28 47.462 2.470 0.891 0.624 0.963 0.593 CB 1.806 28 residues pruned to eliminate duplicates Z: 29 47.459 2.483 0.955 0.634 0.929 0.464 CB 1.755 29 residues pruned to eliminate duplicates Z: 29 48.386 2.504 1.006 0.624 0.929 0.393 CB 1.745 29 residues pruned to eliminate duplicates Z: 29 54.449 2.515 1.005 0.633 0.964 0.500 CB 1.867 29 residues pruned to eliminate duplicates Z: 28 40.397 2.337 1.097 0.582 0.926 0.593 CB 1.583 28 residues pruned to eliminate duplicates Z: 30 40.983 2.420 0.895 0.560 0.897 0.483 CB 1.746 30 residues pruned to eliminate duplicates Z: 29 47.294 2.449 1.054 0.588 0.893 0.321 CB 1.829 29 residues pruned to eliminate duplicates Z: 31 46.326 2.410 0.953 0.574 0.967 0.533 CB 1.730 31 residues pruned to eliminate duplicates Z: 30 48.447 2.423 0.991 0.616 0.966 0.483 CB 1.730 30 residues pruned to eliminate duplicates Z: 29 51.887 2.517 1.057 0.634 0.964 0.321 CB 1.732 29 residues pruned to eliminate duplicates Z: 29 47.896 2.506 0.827 0.629 0.964 0.500 CB 1.816 29 residues pruned to eliminate duplicates Z: 29 46.111 2.432 0.930 0.595 0.964 0.536 CB 1.759 29 residues pruned to eliminate duplicates Z: 33 38.200 2.347 0.820 0.564 0.906 0.562 CB 1.639 33 residues pruned to eliminate duplicates Z: 29 48.750 2.495 0.929 0.626 0.929 0.393 CB 1.830 29 residues pruned to eliminate duplicates Z: 29 47.323 2.486 0.990 0.617 0.964 0.393 CB 1.678 29 residues pruned to eliminate duplicates Z: 33 42.322 2.329 1.039 0.575 0.906 0.375 CB 1.618 33 residues pruned to eliminate duplicates Z: 32 42.133 2.331 0.919 0.565 0.903 0.484 CB 1.760 32 residues pruned to eliminate duplicates Z: 44 44.787 2.308 0.905 0.565 0.907 0.419 CB 1.608 44 residues pruned to eliminate duplicates Z: 16 10.881 1.921 0.391 0.478 0.800 0.400 CB 1.344 23 residues pruned to eliminate duplicates Z: 13 12.038 1.924 0.734 0.537 0.750 0.500 CB 1.340 13 residues pruned to eliminate duplicates Z: 12 13.348 1.985 0.260 0.582 1.000 0.636 CB 1.487 12 residues pruned to eliminate duplicates Z: 13 14.560 2.026 0.677 0.532 0.833 0.417 CB 1.438 13 residues pruned to eliminate duplicates Z: 32 23.396 2.059 0.505 0.562 0.871 0.645 CA 1.466 32 residues pruned to eliminate duplicates Z: 25 18.315 2.163 0.497 0.468 0.833 0.667 CB 1.432 35 residues pruned to eliminate duplicates Z: 10 7.056 2.082 0.539 0.396 0.667 0.222 CA 1.229 Z: 7 5.191 1.524 0.717 0.514 1.000 0.667 CA 0.799 Z: 32 29.424 2.018 0.847 0.566 0.935 0.871 CA 1.422 39 residues pruned to eliminate duplicates Z: 23 24.493 2.059 0.599 0.725 0.955 0.909 CA 1.355 23 residues pruned to eliminate duplicates Z: 22 26.016 2.058 0.809 0.652 0.952 0.857 CA 1.390 22 residues pruned to eliminate duplicates Z: 24 26.085 2.009 0.645 0.688 0.957 0.913 CA 1.448 24 residues pruned to eliminate duplicates Z: 138 74.860 2.329 0.831 0.504 0.912 0.650 CB 1.638 138 residues pruned to eliminate duplicates Z: 23 27.181 2.009 0.742 0.683 1.000 0.818 CA 1.400 23 residues pruned to eliminate duplicates Z: 29 28.859 2.024 0.747 0.596 0.964 0.679 CB 1.460 29 residues pruned to eliminate duplicates Z: 61 36.643 2.098 0.857 0.425 0.933 0.550 CB 1.406 61 residues pruned to eliminate duplicates Z: 142 74.753 2.303 0.818 0.497 0.915 0.589 CB 1.648 147 residues pruned to eliminate duplicates Z: 16 29.285 1.952 1.105 0.895 0.933 0.600 CB 1.413 16 residues pruned to eliminate duplicates Z: 23 29.964 2.066 0.878 0.704 1.000 0.545 CB 1.367 23 residues pruned to eliminate duplicates Z: 53 40.138 2.175 0.884 0.480 0.942 0.615 CB 1.470 53 residues pruned to eliminate duplicates Z: 24 32.938 2.074 1.063 0.694 0.913 0.565 CB 1.472 24 residues pruned to eliminate duplicates Z: 26 27.745 2.006 0.996 0.593 0.920 0.640 CB 1.378 26 residues pruned to eliminate duplicates Z: 146 79.635 2.310 0.882 0.502 0.931 0.572 CB 1.631 156 residues pruned to eliminate duplicates Z: 42 27.186 1.988 0.978 0.448 0.854 0.439 CB 1.334 42 residues pruned to eliminate duplicates Z: 45 38.522 2.139 0.852 0.490 0.932 0.591 CA 1.590 45 residues pruned to eliminate duplicates Z: 50 41.014 2.151 0.975 0.474 0.918 0.531 CB 1.542 50 residues pruned to eliminate duplicates Z: 36 32.029 2.029 0.919 0.559 0.943 0.686 CB 1.392 36 residues pruned to eliminate duplicates Z: 102 65.823 2.304 0.949 0.496 0.921 0.663 CB 1.590 102 residues pruned to eliminate duplicates Z: 27 35.164 2.006 1.101 0.561 0.962 0.423 CB 1.603 34 residues pruned to eliminate duplicates Z: 51 44.860 2.192 0.983 0.477 0.960 0.660 CB 1.556 51 residues pruned to eliminate duplicates Z: 134 82.091 2.343 0.888 0.525 0.955 0.632 CB 1.644 134 residues pruned to eliminate duplicates Z: 93 66.220 2.303 0.795 0.541 0.946 0.663 CB 1.697 93 residues pruned to eliminate duplicates Z: 29 24.324 2.291 0.937 0.249 0.893 0.679 CB 1.548 29 residues pruned to eliminate duplicates Z: 74 40.293 2.143 0.891 0.395 0.890 0.521 CB 1.460 74 residues pruned to eliminate duplicates Z: 76 58.260 2.263 0.847 0.546 0.960 0.587 CB 1.603 76 residues pruned to eliminate duplicates Z: 135 82.068 2.349 0.868 0.523 0.940 0.642 CB 1.679 135 residues pruned to eliminate duplicates Z: 52 42.563 2.202 0.946 0.469 0.941 0.627 CB 1.525 52 residues pruned to eliminate duplicates Z: 147 78.758 2.298 0.868 0.519 0.925 0.610 CB 1.613 147 residues pruned to eliminate duplicates Z: 137 81.348 2.324 0.901 0.526 0.934 0.603 CB 1.648 137 residues pruned to eliminate duplicates Z: 147 83.202 2.317 0.888 0.519 0.925 0.610 CB 1.671 147 residues pruned to eliminate duplicates Z: 55 38.359 2.174 0.867 0.448 0.926 0.574 CB 1.466 55 residues pruned to eliminate duplicates Z: 45 37.648 2.132 0.937 0.506 0.909 0.614 CB 1.503 45 residues pruned to eliminate duplicates Z: 52 42.063 2.202 0.878 0.469 0.941 0.647 CB 1.562 52 residues pruned to eliminate duplicates Z: 55 40.719 2.172 0.953 0.434 0.926 0.648 CB 1.511 55 residues pruned to eliminate duplicates Z: 112 68.922 2.359 0.790 0.495 0.937 0.631 CB 1.662 112 residues pruned to eliminate duplicates Z: 114 56.178 2.262 0.839 0.437 0.858 0.584 CB 1.579 114 residues pruned to eliminate duplicates Z: 52 43.520 2.224 1.012 0.447 0.902 0.667 CB 1.594 52 residues pruned to eliminate duplicates Z: 104 67.339 2.317 0.909 0.502 0.922 0.650 CB 1.623 104 residues pruned to eliminate duplicates Z: 97 75.662 2.416 0.918 0.512 0.958 0.635 CB 1.717 97 residues pruned to eliminate duplicates Z: 115 74.253 2.386 0.908 0.498 0.921 0.684 CB 1.663 115 residues pruned to eliminate duplicates Z: 111 72.724 2.387 0.941 0.465 0.918 0.609 CB 1.690 111 residues pruned to eliminate duplicates Z: 117 72.059 2.375 0.879 0.479 0.922 0.629 CB 1.660 117 residues pruned to eliminate duplicates Z: 56 37.185 2.143 0.885 0.427 0.927 0.545 CB 1.444 56 residues pruned to eliminate duplicates Z: 30 24.799 2.224 0.798 0.478 0.862 0.552 CB 1.365 30 residues pruned to eliminate duplicates Z: 7 8.335 2.279 1.015 0.261 0.833 0.667 CB 1.169 7 residues pruned to eliminate duplicates Z: 33 27.293 2.272 1.035 0.260 0.875 0.625 CB 1.570 33 residues pruned to eliminate duplicates Z: 90 63.071 2.378 0.881 0.517 0.888 0.618 CB 1.656 90 residues pruned to eliminate duplicates Z: 46 48.501 2.390 0.924 0.573 0.889 0.578 CB 1.649 46 residues pruned to eliminate duplicates Z: 87 65.381 2.366 0.877 0.565 0.907 0.605 CB 1.644 87 residues pruned to eliminate duplicates Z: 55 55.153 2.472 0.919 0.502 0.944 0.556 CB 1.671 55 residues pruned to eliminate duplicates Z: 84 71.972 2.451 0.982 0.547 0.916 0.494 CB 1.697 84 residues pruned to eliminate duplicates Z: 84 69.676 2.402 0.901 0.543 0.928 0.602 CB 1.731 84 residues pruned to eliminate duplicates Z: 92 70.733 2.374 0.981 0.520 0.912 0.560 CB 1.694 92 residues pruned to eliminate duplicates Z: 92 70.171 2.385 0.975 0.542 0.890 0.637 CB 1.684 92 residues pruned to eliminate duplicates Z: 88 68.168 2.352 0.822 0.559 0.931 0.506 CB 1.730 88 residues pruned to eliminate duplicates Z: 91 74.880 2.407 0.938 0.565 0.922 0.644 CB 1.722 91 residues pruned to eliminate duplicates Z: 43 51.792 2.418 0.860 0.640 0.905 0.619 CB 1.722 43 residues pruned to eliminate duplicates Z: 86 59.680 2.309 0.764 0.541 0.929 0.588 CB 1.642 86 residues pruned to eliminate duplicates Z: 70 63.977 2.461 0.973 0.532 0.884 0.594 CB 1.739 70 residues pruned to eliminate duplicates Z: 136 85.787 2.335 0.939 0.541 0.926 0.652 CB 1.692 136 residues pruned to eliminate duplicates Z: 84 80.112 2.429 0.964 0.576 0.964 0.554 CB 1.778 84 residues pruned to eliminate duplicates Z: 118 83.310 2.389 0.965 0.558 0.915 0.573 CB 1.695 118 residues pruned to eliminate duplicates Z: 84 69.291 2.432 0.918 0.565 0.892 0.663 CB 1.718 84 residues pruned to eliminate duplicates Z: 89 68.532 2.357 1.000 0.518 0.920 0.534 CB 1.655 89 residues pruned to eliminate duplicates Z: 39 53.049 2.441 1.006 0.642 0.921 0.605 CB 1.671 39 residues pruned to eliminate duplicates Z: 99 72.182 2.382 0.921 0.503 0.939 0.602 CB 1.692 99 residues pruned to eliminate duplicates Z: 86 74.965 2.428 0.972 0.555 0.941 0.624 CB 1.710 86 residues pruned to eliminate duplicates Z: 90 79.164 2.411 1.052 0.563 0.921 0.629 CB 1.731 90 residues pruned to eliminate duplicates Z: 61 58.976 2.425 1.021 0.518 0.867 0.550 CB 1.761 61 residues pruned to eliminate duplicates Z: 90 72.706 2.420 0.967 0.556 0.899 0.652 CB 1.706 90 residues pruned to eliminate duplicates Z: 86 72.457 2.415 1.064 0.554 0.894 0.459 CB 1.674 86 residues pruned to eliminate duplicates Z: 90 71.640 2.395 0.976 0.531 0.899 0.483 CB 1.731 90 residues pruned to eliminate duplicates Z: 57 55.150 2.401 0.931 0.518 0.911 0.589 CB 1.715 57 residues pruned to eliminate duplicates Z: 87 65.094 2.372 0.853 0.535 0.884 0.640 CB 1.746 87 residues pruned to eliminate duplicates Z: 98 52.354 2.275 0.898 0.400 0.876 0.598 CB 1.562 98 residues pruned to eliminate duplicates Z: 90 70.840 2.410 0.992 0.526 0.910 0.640 CB 1.675 90 residues pruned to eliminate duplicates Z: 105 64.301 2.309 0.852 0.497 0.923 0.587 CB 1.601 105 residues pruned to eliminate duplicates Z: 43 57.816 2.474 1.035 0.593 0.952 0.571 CB 1.702 43 residues pruned to eliminate duplicates Z: 53 52.090 2.406 0.872 0.523 0.923 0.635 CB 1.699 53 residues pruned to eliminate duplicates Z: 59 63.372 2.437 1.096 0.493 0.914 0.638 CB 1.796 59 residues pruned to eliminate duplicates Z: 68 62.178 2.394 1.032 0.486 0.955 0.582 CB 1.658 68 residues pruned to eliminate duplicates Z: 62 49.999 2.390 0.912 0.440 0.885 0.623 CB 1.683 62 residues pruned to eliminate duplicates Z: 117 78.115 2.396 0.965 0.543 0.905 0.586 CB 1.631 117 residues pruned to eliminate duplicates Z: 137 81.077 2.325 0.996 0.499 0.919 0.625 CB 1.631 137 residues pruned to eliminate duplicates Z: 86 66.525 2.402 0.858 0.533 0.906 0.576 CB 1.728 86 residues pruned to eliminate duplicates Z: 83 66.536 2.393 0.845 0.528 0.963 0.634 CB 1.679 83 residues pruned to eliminate duplicates Z: 54 56.927 2.463 0.953 0.525 0.943 0.547 CB 1.680 54 residues pruned to eliminate duplicates Z: 29 29.941 2.381 1.029 0.359 0.821 0.571 CB 1.661 29 residues pruned to eliminate duplicates Z: 61 58.904 2.428 0.902 0.486 0.933 0.617 CB 1.790 61 residues pruned to eliminate duplicates Z: 67 57.268 2.367 0.921 0.484 0.955 0.561 CB 1.650 67 residues pruned to eliminate duplicates Z: 54 48.994 2.262 0.999 0.455 0.943 0.509 CB 1.652 54 residues pruned to eliminate duplicates Z: 60 56.675 2.408 0.940 0.504 0.932 0.559 CB 1.687 60 residues pruned to eliminate duplicates Z: 35 28.566 2.261 0.963 0.361 0.794 0.559 CB 1.615 35 residues pruned to eliminate duplicates Z: 84 74.778 2.441 1.010 0.536 0.940 0.663 CB 1.719 84 residues pruned to eliminate duplicates Z: 137 73.902 2.303 0.925 0.495 0.919 0.610 CB 1.563 137 residues pruned to eliminate duplicates Z: 61 62.985 2.426 0.952 0.510 0.950 0.650 CB 1.789 61 residues pruned to eliminate duplicates Z: 90 68.674 2.410 0.982 0.514 0.910 0.584 CB 1.651 90 residues pruned to eliminate duplicates Z: 38 42.395 2.358 0.820 0.529 0.919 0.568 CB 1.718 38 residues pruned to eliminate duplicates Z: 47 52.445 2.333 0.966 0.508 0.957 0.696 CB 1.750 47 residues pruned to eliminate duplicates Z: 25 41.330 2.368 0.988 0.642 0.917 0.750 CB 1.713 25 residues pruned to eliminate duplicates Z: 62 58.711 2.420 1.049 0.465 0.918 0.623 CB 1.711 62 residues pruned to eliminate duplicates Z: 91 67.500 2.395 0.962 0.523 0.867 0.622 CB 1.707 91 residues pruned to eliminate duplicates Z: 36 40.712 2.289 0.891 0.540 0.886 0.743 CB 1.727 36 residues pruned to eliminate duplicates Z: 50 53.443 2.429 1.008 0.491 0.918 0.633 CB 1.721 50 residues pruned to eliminate duplicates Z: 87 71.404 2.435 0.997 0.524 0.907 0.558 CB 1.705 87 residues pruned to eliminate duplicates Z: 33 45.452 2.307 0.976 0.571 0.969 0.719 CB 1.699 33 residues pruned to eliminate duplicates Z: 33 43.546 2.336 1.036 0.563 0.875 0.625 CB 1.741 33 residues pruned to eliminate duplicates Z: 32 41.432 2.262 0.872 0.537 0.935 0.581 CA 1.812 32 residues pruned to eliminate duplicates Z: 33 44.668 2.329 0.959 0.574 0.938 0.719 CB 1.720 33 residues pruned to eliminate duplicates Z: 61 52.820 2.386 0.963 0.444 0.883 0.600 CB 1.746 61 residues pruned to eliminate duplicates Z: 38 51.495 2.381 0.942 0.548 0.973 0.676 CA 1.797 38 residues pruned to eliminate duplicates Z: 31 44.032 2.361 0.881 0.559 0.967 0.633 CA 1.768 31 residues pruned to eliminate duplicates Z: 32 53.286 2.333 1.202 0.581 0.968 0.645 CA 1.780 32 residues pruned to eliminate duplicates Z: 48 47.727 2.303 0.960 0.516 0.915 0.660 CB 1.660 48 residues pruned to eliminate duplicates Z: 84 72.631 2.456 0.877 0.567 0.928 0.651 CB 1.746 84 residues pruned to eliminate duplicates Z: 95 73.626 2.386 0.944 0.527 0.947 0.585 CB 1.683 95 residues pruned to eliminate duplicates Z: 85 72.796 2.423 1.038 0.535 0.917 0.619 CB 1.696 85 residues pruned to eliminate duplicates Z: 94 75.300 2.413 0.970 0.515 0.946 0.699 CB 1.711 94 residues pruned to eliminate duplicates Z: 62 60.374 2.443 1.033 0.483 0.918 0.656 CB 1.724 62 residues pruned to eliminate duplicates Z: 31 51.828 2.364 1.120 0.573 0.967 0.600 CB 1.821 31 residues pruned to eliminate duplicates Z: 61 62.821 2.440 1.043 0.468 0.933 0.600 CB 1.800 61 residues pruned to eliminate duplicates Z: 92 73.433 2.423 0.927 0.532 0.923 0.626 CB 1.731 92 residues pruned to eliminate duplicates Z: 41 47.393 2.195 1.052 0.554 0.950 0.675 CB 1.661 41 residues pruned to eliminate duplicates Z: 83 76.688 2.475 1.002 0.551 0.939 0.598 CB 1.731 83 residues pruned to eliminate duplicates Z: 32 44.224 2.334 1.019 0.564 0.903 0.677 CB 1.753 32 residues pruned to eliminate duplicates Z: 32 44.757 2.314 1.018 0.566 0.968 0.548 CB 1.668 32 residues pruned to eliminate duplicates Z: 64 57.076 2.399 0.951 0.498 0.921 0.635 CB 1.672 64 residues pruned to eliminate duplicates Z: 33 42.823 2.348 0.925 0.567 0.938 0.656 CB 1.674 33 residues pruned to eliminate duplicates Z: 63 56.891 2.411 1.019 0.457 0.919 0.597 CB 1.686 63 residues pruned to eliminate duplicates Z: 38 41.655 2.237 0.881 0.490 0.946 0.622 CB 1.738 38 residues pruned to eliminate duplicates Z: 95 60.729 2.342 0.925 0.489 0.862 0.606 CB 1.631 95 residues pruned to eliminate duplicates Z: 11 5.752 1.662 0.343 0.317 0.800 0.400 CB 1.247 11 residues pruned to eliminate duplicates Z: 7 5.485 1.881 0.436 0.413 0.667 0.500 CB 1.361 Z: 6 9.225 2.050 0.896 0.316 0.800 0.800 CB 1.626 13 residues pruned to eliminate duplicates Z: 6 8.207 2.019 0.580 0.298 1.000 0.600 CB 1.442 6 residues pruned to eliminate duplicates Z: 50 47.837 2.219 0.917 0.553 0.939 0.653 CB 1.625 50 residues pruned to eliminate duplicates Z: 8 6.541 1.774 0.530 0.232 0.857 0.429 CB 1.452 8 residues pruned to eliminate duplicates Z: 27 26.726 2.066 0.627 0.609 0.923 0.808 CB 1.522 27 residues pruned to eliminate duplicates Z: 19 35.178 2.162 0.871 0.731 1.000 0.833 CB 1.665 19 residues pruned to eliminate duplicates Z: 18 37.396 2.226 0.879 0.731 1.000 0.824 CA 1.763 18 residues pruned to eliminate duplicates Z: 19 31.488 2.137 0.798 0.745 1.000 0.778 CB 1.552 19 residues pruned to eliminate duplicates Z: 19 34.906 2.165 0.944 0.709 1.000 0.778 CB 1.617 19 residues pruned to eliminate duplicates Z: 19 41.032 2.165 1.119 0.770 1.000 0.944 CB 1.660 19 residues pruned to eliminate duplicates Z: 14 24.211 2.108 0.951 0.703 0.923 0.846 CB 1.471 14 residues pruned to eliminate duplicates Z: 19 39.989 2.164 1.131 0.733 1.000 0.889 CB 1.657 19 residues pruned to eliminate duplicates Z: 10 26.802 2.187 1.183 0.695 1.000 0.778 CB 1.565 10 residues pruned to eliminate duplicates Z: 10 24.264 2.140 1.161 0.709 1.000 0.667 CB 1.447 10 residues pruned to eliminate duplicates Z: 9 28.111 2.232 1.203 0.697 1.000 0.875 CA 1.688 9 residues pruned to eliminate duplicates Z: 10 22.213 2.126 1.301 0.581 0.889 0.667 CA 1.576 10 residues pruned to eliminate duplicates Z: 21 31.631 2.041 0.965 0.703 0.950 0.800 CB 1.543 21 residues pruned to eliminate duplicates Z: 14 21.573 2.090 0.730 0.662 1.000 0.846 CA 1.424 14 residues pruned to eliminate duplicates Z: 11 18.678 2.067 0.840 0.699 0.900 0.900 CA 1.439 11 residues pruned to eliminate duplicates Z: 29 42.083 2.152 0.932 0.616 0.964 0.714 CB 1.777 29 residues pruned to eliminate duplicates Z: 6 3.100 1.502 0.710 0.354 0.600 0.600 N 1.053 6 residues pruned to eliminate duplicates Z: 29 43.967 2.156 0.971 0.636 1.000 0.679 CB 1.722 29 residues pruned to eliminate duplicates Z: 27 41.017 2.191 1.027 0.622 0.923 0.769 CA 1.748 27 residues pruned to eliminate duplicates Z: 29 38.894 2.158 0.931 0.625 1.000 0.643 CB 1.569 29 residues pruned to eliminate duplicates Z: 28 36.764 2.133 0.885 0.601 0.963 0.630 CB 1.660 28 residues pruned to eliminate duplicates Z: 28 40.436 2.176 0.788 0.633 1.000 0.593 CB 1.765 28 residues pruned to eliminate duplicates Z: 30 43.199 2.155 0.980 0.623 1.000 0.724 CB 1.673 30 residues pruned to eliminate duplicates Z: 28 38.341 2.204 0.789 0.622 0.963 0.630 CB 1.733 28 residues pruned to eliminate duplicates Z: 29 37.981 2.183 0.827 0.597 1.000 0.750 CB 1.641 29 residues pruned to eliminate duplicates Z: 29 38.584 2.144 0.865 0.608 0.964 0.750 CB 1.707 29 residues pruned to eliminate duplicates Z: 29 38.896 2.173 0.891 0.576 1.000 0.643 CB 1.662 29 residues pruned to eliminate duplicates Z: 31 35.725 2.041 0.777 0.559 1.000 0.667 CA 1.698 31 residues pruned to eliminate duplicates Z: 28 41.070 2.213 0.870 0.604 1.000 0.778 CB 1.730 28 residues pruned to eliminate duplicates Z: 30 36.027 2.101 0.796 0.582 1.000 0.621 CB 1.639 30 residues pruned to eliminate duplicates Z: 29 39.611 2.154 0.785 0.631 1.000 0.643 CB 1.721 29 residues pruned to eliminate duplicates Z: 15 25.243 2.148 0.952 0.637 0.929 0.643 CA 1.523 15 residues pruned to eliminate duplicates Z: 32 41.355 2.146 0.890 0.602 0.968 0.645 CB 1.716 32 residues pruned to eliminate duplicates Z: 46 38.078 2.076 0.702 0.593 0.956 0.667 CB 1.539 46 residues pruned to eliminate duplicates Z: 29 42.177 2.178 0.978 0.597 1.000 0.607 CA 1.687 29 residues pruned to eliminate duplicates Z: 29 32.010 2.138 0.739 0.559 0.929 0.607 CB 1.655 29 residues pruned to eliminate duplicates Z: 28 46.225 2.216 1.033 0.630 1.000 0.741 CB 1.747 28 residues pruned to eliminate duplicates Z: 30 44.151 2.158 0.954 0.609 1.000 0.655 CB 1.753 30 residues pruned to eliminate duplicates Z: 6 5.412 1.607 0.421 0.465 1.000 0.400 C 1.099 377 residues left after pruning, divided into chains as follows: A: 12 B: 126 C: 185 D: 54 CC for partial structure against native data = 38.62 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.593, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.692, Connect. = 0.742 for dens.mod. cycle 2 = 0.300, Contrast = 0.841, Connect. = 0.776 for dens.mod. cycle 3 = 0.300, Contrast = 0.865, Connect. = 0.779 for dens.mod. cycle 4 = 0.300, Contrast = 0.885, Connect. = 0.781 for dens.mod. cycle 5 = 0.300, Contrast = 0.892, Connect. = 0.783 for dens.mod. cycle 6 = 0.300, Contrast = 0.901, Connect. = 0.784 for dens.mod. cycle 7 = 0.300, Contrast = 0.903, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.906, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.906, Connect. = 0.786 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2170 peaks > 0.5 sigma used to seed fragment search Space for about 710 unique residues taking solvent into account 466 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 26.722 2.494 0.597 0.909 0.923 0.846 CA 1.431 B: 14 43.053 2.502 0.961 0.917 1.000 0.538 CB 1.718 14 residues pruned to eliminate duplicates C: 16 39.700 2.441 0.708 0.941 1.000 0.867 CB 1.707 D: 15 40.768 2.540 0.916 0.911 0.929 0.643 CA 1.709 15 residues pruned to eliminate duplicates E: 15 31.912 2.440 0.695 0.928 1.000 0.929 CA 1.444 15 residues pruned to eliminate duplicates F: 21 23.235 1.969 0.984 0.595 0.850 0.600 CB 1.429 G: 64 54.583 2.352 1.055 0.473 0.889 0.603 CB 1.645 H: 16 31.559 2.422 0.519 0.939 0.933 0.867 CA 1.649 16 residues pruned to eliminate duplicates I: 87 72.130 2.416 1.006 0.564 0.895 0.616 CB 1.684 80 residues pruned to eliminate duplicates J: 31 46.655 2.388 1.009 0.615 0.933 0.533 CB 1.707 14 residues pruned to eliminate duplicates K: 20 36.486 2.158 0.932 0.712 1.000 0.842 CA 1.657 14 residues pruned to eliminate duplicates L: 9 18.046 2.153 0.547 0.853 0.875 0.750 CA 1.618 M: 68 51.874 2.385 0.872 0.466 0.910 0.567 CB 1.614 41 residues pruned to eliminate duplicates N: 17 35.745 2.345 1.079 0.891 0.938 0.625 CB 1.406 17 residues pruned to eliminate duplicates O: 18 38.355 2.409 0.899 0.821 0.882 0.706 CA 1.745 18 residues pruned to eliminate duplicates P: 31 41.285 2.375 0.775 0.534 0.900 0.567 CB 1.920 32 residues pruned to eliminate duplicates Q: 12 19.359 2.210 0.839 0.841 0.818 0.455 CB 1.309 12 residues pruned to eliminate duplicates R: 45 37.389 2.226 0.934 0.471 0.864 0.545 CB 1.562 45 residues pruned to eliminate duplicates S: 14 46.788 2.616 1.061 0.935 1.000 0.769 CA 1.678 14 residues pruned to eliminate duplicates T: 63 55.535 2.379 0.935 0.486 0.919 0.516 CB 1.691 63 residues pruned to eliminate duplicates U: 16 42.611 2.456 0.931 0.948 0.933 0.800 CB 1.717 16 residues pruned to eliminate duplicates V: 16 37.947 2.438 0.820 0.918 0.933 0.867 CB 1.669 16 residues pruned to eliminate duplicates W: 91 74.267 2.413 0.981 0.546 0.911 0.678 CB 1.718 90 residues pruned to eliminate duplicates X: 27 45.746 2.524 1.067 0.611 0.885 0.346 CB 1.750 30 residues pruned to eliminate duplicates Y: 16 39.563 2.465 0.846 0.900 0.933 0.733 CB 1.719 16 residues pruned to eliminate duplicates Z: 35 46.451 2.221 1.015 0.570 0.941 0.647 CA 1.767 33 residues pruned to eliminate duplicates Z: 15 29.114 2.131 0.804 0.913 0.929 0.786 CA 1.542 Z: 15 34.744 2.456 0.664 0.933 1.000 0.786 CA 1.586 15 residues pruned to eliminate duplicates Z: 13 33.276 2.519 0.660 0.876 1.000 0.667 CA 1.669 13 residues pruned to eliminate duplicates Z: 31 46.980 2.369 1.028 0.533 0.933 0.667 CB 1.853 31 residues pruned to eliminate duplicates Z: 17 32.143 2.361 0.661 0.908 0.938 0.812 CB 1.552 17 residues pruned to eliminate duplicates Z: 9 19.676 2.078 0.491 0.891 1.000 0.875 CA 1.614 Z: 16 25.151 1.946 0.764 0.932 1.000 0.933 CA 1.321 Z: 15 47.803 2.496 1.469 0.810 0.929 0.643 CB 1.705 15 residues pruned to eliminate duplicates Z: 20 30.903 2.060 0.929 0.642 1.000 0.737 CB 1.562 20 residues pruned to eliminate duplicates Z: 93 66.477 2.375 0.782 0.560 0.913 0.609 CB 1.692 93 residues pruned to eliminate duplicates Z: 13 25.474 2.299 0.476 0.920 1.000 0.833 CA 1.526 14 residues pruned to eliminate duplicates Z: 17 17.626 1.838 0.433 0.865 0.938 0.812 CA 1.307 17 residues pruned to eliminate duplicates Z: 15 46.419 2.472 1.131 0.915 1.000 0.786 CA 1.665 15 residues pruned to eliminate duplicates Z: 61 59.372 2.434 0.960 0.479 0.933 0.667 CB 1.758 61 residues pruned to eliminate duplicates Z: 17 20.901 1.883 0.564 0.893 1.000 0.938 CA 1.274 17 residues pruned to eliminate duplicates Z: 13 20.930 2.075 0.679 0.823 1.000 0.667 CA 1.311 Z: 28 40.018 2.190 0.945 0.636 0.963 0.667 CB 1.653 13 residues pruned to eliminate duplicates Z: 20 28.206 2.271 0.763 0.571 0.947 0.684 CB 1.592 Z: 22 24.130 2.064 0.589 0.580 0.952 0.619 CB 1.562 22 residues pruned to eliminate duplicates Z: 17 39.720 2.351 1.177 0.897 0.938 0.500 CB 1.482 17 residues pruned to eliminate duplicates Z: 62 60.804 2.334 1.095 0.559 0.885 0.639 CB 1.699 90 residues pruned to eliminate duplicates Z: 6 6.312 1.687 0.524 0.732 1.000 0.400 CB 0.891 Z: 115 68.000 2.359 0.863 0.453 0.912 0.623 CB 1.668 115 residues pruned to eliminate duplicates Z: 14 19.870 2.073 0.764 0.732 0.769 0.615 CB 1.590 14 residues pruned to eliminate duplicates Z: 14 25.791 2.129 0.606 0.908 1.000 0.769 CA 1.486 14 residues pruned to eliminate duplicates Z: 15 31.847 2.169 0.735 0.930 1.000 0.714 CA 1.582 15 residues pruned to eliminate duplicates Z: 8 14.566 2.048 0.342 0.879 0.857 0.857 CB 1.695 8 residues pruned to eliminate duplicates Z: 17 35.465 2.300 0.742 0.887 1.000 0.625 CB 1.595 17 residues pruned to eliminate duplicates Z: 17 46.516 2.322 1.122 0.925 1.000 0.625 CA 1.657 Z: 10 21.770 2.221 0.726 0.825 0.889 0.667 CB 1.608 10 residues pruned to eliminate duplicates Z: 18 28.747 2.291 0.444 0.889 0.941 0.882 CB 1.612 18 residues pruned to eliminate duplicates Z: 19 27.788 2.335 0.668 0.596 0.944 0.778 CB 1.624 19 residues pruned to eliminate duplicates Z: 17 24.634 1.931 0.696 0.895 1.000 0.875 CA 1.348 16 residues pruned to eliminate duplicates Z: 91 62.804 2.356 0.842 0.535 0.867 0.611 CB 1.700 94 residues pruned to eliminate duplicates Z: 33 59.254 2.501 1.118 0.733 0.938 0.656 CB 1.710 33 residues pruned to eliminate duplicates Z: 28 31.325 2.018 0.851 0.633 0.963 0.704 CB 1.479 28 residues pruned to eliminate duplicates Z: 13 21.625 2.150 0.349 0.810 1.000 0.667 CB 1.644 13 residues pruned to eliminate duplicates Z: 37 24.896 2.037 0.477 0.538 0.972 0.694 CB 1.366 Z: 15 18.722 2.133 0.534 0.543 1.000 0.714 CB 1.467 15 residues pruned to eliminate duplicates Z: 15 33.294 2.144 0.784 0.930 1.000 1.000 CA 1.627 14 residues pruned to eliminate duplicates Z: 15 28.876 2.084 0.671 0.941 1.000 0.857 CA 1.539 15 residues pruned to eliminate duplicates Z: 8 3.746 1.860 0.007 0.436 0.714 0.429 N 1.132 Z: 13 27.058 2.151 0.697 0.821 1.000 0.917 CA 1.620 13 residues pruned to eliminate duplicates Z: 13 24.910 2.228 0.500 0.787 1.000 0.750 CA 1.672 13 residues pruned to eliminate duplicates Z: 30 25.557 2.202 0.996 0.271 0.897 0.586 CB 1.561 30 residues pruned to eliminate duplicates Z: 17 25.537 2.340 0.474 0.867 0.875 0.812 CB 1.547 17 residues pruned to eliminate duplicates Z: 14 23.141 2.185 0.493 0.910 0.923 0.846 CA 1.512 14 residues pruned to eliminate duplicates Z: 11 19.024 2.058 1.005 0.646 0.900 0.600 CB 1.414 11 residues pruned to eliminate duplicates Z: 17 28.317 2.339 0.512 0.913 0.938 0.875 CB 1.511 17 residues pruned to eliminate duplicates Z: 138 74.568 2.295 0.918 0.501 0.905 0.591 CB 1.598 130 residues pruned to eliminate duplicates Z: 8 5.812 2.027 0.027 0.326 0.857 0.571 CB 1.491 9 residues pruned to eliminate duplicates Z: 6 8.619 2.236 -0.229 0.721 1.000 0.800 C 1.830 Z: 31 34.198 2.107 0.874 0.555 0.967 0.667 CB 1.551 29 residues pruned to eliminate duplicates Z: 16 24.235 2.146 0.907 0.635 0.867 0.600 CB 1.555 Z: 7 6.489 1.992 -0.215 0.633 1.000 0.833 CB 1.495 Z: 30 33.045 2.298 0.926 0.348 0.931 0.586 CA 1.756 30 residues pruned to eliminate duplicates Z: 9 12.902 1.836 0.667 0.588 0.875 0.750 O 1.566 9 residues pruned to eliminate duplicates Z: 9 24.040 2.146 0.893 0.890 1.000 0.875 CA 1.506 9 residues pruned to eliminate duplicates Z: 7 11.266 1.789 0.831 0.747 1.000 0.500 CB 1.126 7 residues pruned to eliminate duplicates Z: 11 16.931 2.195 0.341 0.738 0.900 0.900 CA 1.634 11 residues pruned to eliminate duplicates Z: 17 31.050 2.355 0.611 0.920 0.938 0.875 CB 1.537 17 residues pruned to eliminate duplicates Z: 57 53.337 2.423 0.979 0.512 0.893 0.607 CB 1.645 57 residues pruned to eliminate duplicates Z: 22 21.644 2.148 0.640 0.517 0.905 0.619 CB 1.457 22 residues pruned to eliminate duplicates Z: 14 23.409 2.043 0.560 0.786 1.000 0.692 CA 1.584 14 residues pruned to eliminate duplicates Z: 91 74.264 2.412 1.011 0.554 0.922 0.600 CB 1.660 91 residues pruned to eliminate duplicates Z: 28 40.656 2.190 0.991 0.607 0.963 0.556 CB 1.683 30 residues pruned to eliminate duplicates Z: 89 66.569 2.410 0.979 0.529 0.898 0.636 CB 1.611 89 residues pruned to eliminate duplicates Z: 19 12.157 1.943 0.298 0.473 0.889 0.667 CB 1.314 6 residues pruned to eliminate duplicates Z: 160 81.731 2.322 0.865 0.506 0.906 0.635 CB 1.643 163 residues pruned to eliminate duplicates Z: 30 47.250 2.447 1.062 0.581 0.897 0.483 CA 1.795 30 residues pruned to eliminate duplicates Z: 13 15.678 2.034 0.144 0.740 1.000 0.917 CB 1.569 13 residues pruned to eliminate duplicates Z: 12 19.663 2.097 0.519 0.779 1.000 0.727 CA 1.455 12 residues pruned to eliminate duplicates Z: 6 9.808 1.826 0.546 0.762 1.000 0.800 CA 1.230 6 residues pruned to eliminate duplicates Z: 13 26.948 2.186 0.537 0.816 1.000 0.750 CB 1.759 13 residues pruned to eliminate duplicates Z: 32 38.283 2.190 0.921 0.571 0.903 0.581 CA 1.690 32 residues pruned to eliminate duplicates Z: 9 5.989 2.049 -0.085 0.481 0.875 0.625 CB 1.316 Z: 12 17.773 2.073 0.581 0.804 1.000 0.727 CB 1.253 12 residues pruned to eliminate duplicates Z: 20 21.714 2.102 0.646 0.550 0.947 0.789 CB 1.448 13 residues pruned to eliminate duplicates Z: 27 16.783 1.874 0.674 0.422 0.885 0.769 CB 1.286 27 residues pruned to eliminate duplicates Z: 61 55.259 2.327 0.835 0.539 0.917 0.600 CB 1.755 61 residues pruned to eliminate duplicates Z: 23 19.720 1.945 0.689 0.550 0.864 0.636 CB 1.411 23 residues pruned to eliminate duplicates Z: 20 23.882 2.273 0.779 0.570 0.789 0.684 CB 1.605 20 residues pruned to eliminate duplicates Z: 29 24.202 2.115 0.678 0.563 0.893 0.750 CB 1.358 27 residues pruned to eliminate duplicates Z: 49 32.561 2.129 0.662 0.448 0.896 0.646 CB 1.565 49 residues pruned to eliminate duplicates Z: 18 37.730 2.178 1.110 0.859 0.941 0.706 CB 1.556 18 residues pruned to eliminate duplicates Z: 8 15.212 2.040 0.896 0.834 0.857 0.571 CB 1.300 8 residues pruned to eliminate duplicates Z: 15 19.303 2.195 0.672 0.578 0.929 0.714 CB 1.405 14 residues pruned to eliminate duplicates Z: 28 38.373 2.151 0.711 0.652 1.000 0.667 CB 1.742 28 residues pruned to eliminate duplicates Z: 12 27.767 2.233 0.803 0.790 1.000 0.818 CB 1.611 12 residues pruned to eliminate duplicates Z: 13 19.672 2.133 0.504 0.705 0.917 0.500 CB 1.604 13 residues pruned to eliminate duplicates Z: 14 30.168 2.225 0.749 0.943 0.923 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 15 19.272 1.799 0.481 0.895 1.000 0.857 CA 1.385 Z: 6 7.990 1.941 -0.130 0.769 1.000 0.800 CB 1.668 6 residues pruned to eliminate duplicates Z: 29 38.316 2.085 0.915 0.623 0.964 0.643 CA 1.674 29 residues pruned to eliminate duplicates Z: 14 22.866 2.159 0.479 0.924 1.000 0.923 CA 1.395 14 residues pruned to eliminate duplicates Z: 17 22.058 1.963 0.649 0.890 1.000 0.875 CB 1.226 17 residues pruned to eliminate duplicates Z: 16 28.205 2.077 0.705 0.894 0.933 0.600 CA 1.582 16 residues pruned to eliminate duplicates Z: 28 31.083 2.111 0.896 0.575 0.889 0.593 CB 1.565 28 residues pruned to eliminate duplicates Z: 16 32.048 1.976 1.047 0.917 1.000 0.933 CA 1.444 16 residues pruned to eliminate duplicates Z: 13 11.682 1.904 0.316 0.526 1.000 0.500 CB 1.311 12 residues pruned to eliminate duplicates Z: 6 2.025 1.918 -0.484 0.580 0.800 0.600 CB 1.059 Z: 14 32.257 2.264 0.934 0.896 1.000 0.615 CB 1.464 14 residues pruned to eliminate duplicates Z: 10 8.298 2.014 0.442 0.336 0.889 0.667 CB 1.281 10 residues pruned to eliminate duplicates Z: 62 52.947 2.381 0.918 0.498 0.869 0.590 CB 1.712 62 residues pruned to eliminate duplicates Z: 18 31.926 2.274 0.796 0.843 0.941 0.647 CB 1.500 18 residues pruned to eliminate duplicates Z: 16 24.431 2.058 0.664 0.876 1.000 0.733 CB 1.339 16 residues pruned to eliminate duplicates Z: 7 2.146 1.369 0.184 0.684 0.667 0.667 CA 0.685 7 residues pruned to eliminate duplicates Z: 17 26.030 1.938 0.764 0.861 1.000 0.938 CA 1.399 17 residues pruned to eliminate duplicates Z: 9 5.066 1.609 0.152 0.468 0.750 0.375 O 1.330 Z: 6 4.936 1.814 0.281 0.675 0.800 0.800 CA 1.011 Z: 28 30.013 2.036 0.608 0.634 1.000 0.778 CB 1.556 28 residues pruned to eliminate duplicates Z: 24 19.317 1.928 0.661 0.508 0.913 0.652 CB 1.367 24 residues pruned to eliminate duplicates Z: 8 16.732 2.121 1.261 0.672 1.000 0.857 CB 1.125 Z: 19 26.312 2.032 0.920 0.720 1.000 0.889 CB 1.302 19 residues pruned to eliminate duplicates Z: 17 19.136 1.918 0.463 0.888 1.000 0.875 CB 1.228 17 residues pruned to eliminate duplicates Z: 13 17.590 2.047 0.582 0.779 1.000 0.667 CA 1.227 13 residues pruned to eliminate duplicates Z: 30 43.544 2.383 0.941 0.564 0.966 0.621 CB 1.702 37 residues pruned to eliminate duplicates Z: 10 10.920 2.024 0.264 0.578 0.889 0.556 CA 1.485 5 residues pruned to eliminate duplicates Z: 17 38.253 2.378 0.954 0.898 0.938 0.625 CB 1.571 17 residues pruned to eliminate duplicates Z: 135 82.290 2.327 0.898 0.525 0.955 0.657 CB 1.645 135 residues pruned to eliminate duplicates Z: 32 25.808 2.260 0.838 0.276 0.871 0.581 CB 1.651 32 residues pruned to eliminate duplicates Z: 17 21.407 1.985 0.855 0.917 0.875 0.875 CB 1.172 17 residues pruned to eliminate duplicates Z: 29 24.139 1.989 0.706 0.541 0.929 0.714 CB 1.390 29 residues pruned to eliminate duplicates Z: 11 15.141 1.913 0.445 0.794 0.900 0.600 CB 1.487 11 residues pruned to eliminate duplicates Z: 14 5.968 1.908 -0.011 0.374 0.692 0.462 CB 1.449 14 residues pruned to eliminate duplicates Z: 6 9.812 1.924 0.348 0.888 1.000 0.800 CA 1.219 6 residues pruned to eliminate duplicates Z: 8 11.273 2.036 0.835 0.507 0.714 0.571 O 1.585 6 residues pruned to eliminate duplicates Z: 14 22.645 1.927 0.802 0.942 0.923 0.692 CB 1.359 14 residues pruned to eliminate duplicates Z: 32 38.714 2.309 0.868 0.567 0.935 0.677 CB 1.616 32 residues pruned to eliminate duplicates Z: 26 35.759 2.311 1.066 0.593 0.880 0.440 CB 1.557 26 residues pruned to eliminate duplicates Z: 17 28.239 1.944 0.968 0.876 0.938 0.688 CA 1.431 17 residues pruned to eliminate duplicates Z: 13 11.240 1.927 0.900 0.415 0.917 0.667 CB 1.057 13 residues pruned to eliminate duplicates Z: 40 19.989 1.855 0.423 0.490 0.923 0.718 CB 1.327 20 residues pruned to eliminate duplicates Z: 16 18.963 1.887 0.484 0.897 0.933 0.867 CA 1.340 16 residues pruned to eliminate duplicates Z: 17 22.410 1.960 0.831 0.931 0.938 0.750 CB 1.164 17 residues pruned to eliminate duplicates Z: 21 26.737 2.178 0.477 0.698 1.000 0.800 CB 1.551 21 residues pruned to eliminate duplicates Z: 15 16.637 1.809 0.335 0.894 1.000 0.786 CA 1.321 15 residues pruned to eliminate duplicates Z: 9 22.279 2.285 0.476 0.844 1.000 0.625 CA 1.739 9 residues pruned to eliminate duplicates Z: 28 34.903 2.142 0.821 0.643 0.963 0.667 CA 1.564 20 residues pruned to eliminate duplicates Z: 58 51.335 2.221 0.848 0.532 0.930 0.649 CB 1.726 58 residues pruned to eliminate duplicates Z: 35 31.428 2.058 0.936 0.554 0.941 0.676 CB 1.364 35 residues pruned to eliminate duplicates Z: 18 22.140 1.927 0.461 0.895 1.000 0.824 CB 1.368 18 residues pruned to eliminate duplicates Z: 16 20.801 1.802 0.610 0.884 1.000 0.533 CA 1.337 22 residues pruned to eliminate duplicates Z: 29 28.138 2.196 0.510 0.604 0.929 0.750 CB 1.564 29 residues pruned to eliminate duplicates Z: 9 15.851 1.791 0.889 0.586 1.000 0.750 CA 1.525 9 residues pruned to eliminate duplicates Z: 30 29.385 2.035 0.855 0.605 0.897 0.552 CB 1.458 30 residues pruned to eliminate duplicates Z: 28 29.848 2.170 0.754 0.613 0.926 0.852 CB 1.464 28 residues pruned to eliminate duplicates Z: 92 72.778 2.417 0.910 0.535 0.901 0.582 CB 1.772 92 residues pruned to eliminate duplicates Z: 17 21.525 1.950 0.438 0.886 1.000 0.938 CB 1.385 17 residues pruned to eliminate duplicates Z: 56 43.057 2.201 0.658 0.534 0.927 0.636 CB 1.660 85 residues pruned to eliminate duplicates Z: 7 3.674 1.738 0.201 0.246 0.833 0.500 CB 1.155 7 residues pruned to eliminate duplicates Z: 16 42.385 2.467 1.108 0.944 0.933 0.733 CB 1.562 16 residues pruned to eliminate duplicates Z: 14 12.376 2.071 0.618 0.238 0.923 0.462 CB 1.503 14 residues pruned to eliminate duplicates Z: 12 14.378 1.794 0.563 0.859 1.000 0.909 CB 1.138 12 residues pruned to eliminate duplicates Z: 6 8.221 1.699 0.446 0.815 1.000 1.000 N 1.138 6 residues pruned to eliminate duplicates Z: 76 53.184 2.267 0.854 0.475 0.907 0.613 CB 1.653 76 residues pruned to eliminate duplicates Z: 28 34.321 2.140 0.809 0.652 0.926 0.778 CA 1.599 28 residues pruned to eliminate duplicates Z: 12 22.307 2.197 1.005 0.492 0.909 0.636 CB 1.694 12 residues pruned to eliminate duplicates Z: 12 16.390 2.082 0.727 0.802 0.909 0.727 CB 1.161 12 residues pruned to eliminate duplicates Z: 6 5.541 1.772 0.344 0.492 0.800 0.600 CA 1.311 6 residues pruned to eliminate duplicates Z: 23 35.228 2.083 1.086 0.684 0.955 0.727 CB 1.529 23 residues pruned to eliminate duplicates Z: 8 3.920 1.832 -0.074 0.549 0.857 0.714 CB 0.972 8 residues pruned to eliminate duplicates Z: 44 42.517 2.324 0.846 0.548 0.907 0.535 CB 1.589 44 residues pruned to eliminate duplicates Z: 56 40.195 2.164 0.659 0.559 0.891 0.673 CB 1.600 65 residues pruned to eliminate duplicates Z: 17 17.259 2.059 0.539 0.515 0.875 0.750 CB 1.533 17 residues pruned to eliminate duplicates Z: 27 17.068 1.830 0.547 0.508 0.885 0.615 CB 1.326 27 residues pruned to eliminate duplicates Z: 18 13.164 1.882 0.556 0.477 0.882 0.353 CB 1.265 9 residues pruned to eliminate duplicates Z: 18 16.960 1.982 0.580 0.514 0.941 0.706 CB 1.376 18 residues pruned to eliminate duplicates Z: 9 8.871 1.907 0.708 0.680 0.750 0.375 CB 1.088 9 residues pruned to eliminate duplicates Z: 50 43.529 2.112 0.811 0.549 0.918 0.714 CB 1.689 50 residues pruned to eliminate duplicates Z: 26 23.681 2.100 0.609 0.519 0.920 0.600 CB 1.495 Z: 26 35.515 2.139 0.931 0.579 0.960 0.520 CA 1.660 26 residues pruned to eliminate duplicates Z: 17 20.457 1.906 0.379 0.906 1.000 0.938 CA 1.384 17 residues pruned to eliminate duplicates Z: 40 36.664 2.239 0.686 0.573 0.872 0.615 CB 1.662 40 residues pruned to eliminate duplicates Z: 22 19.125 2.085 0.601 0.523 0.905 0.714 CB 1.351 17 residues pruned to eliminate duplicates Z: 72 34.194 1.951 0.733 0.542 0.930 0.592 CB 1.239 66 residues pruned to eliminate duplicates Z: 88 68.409 2.414 0.963 0.546 0.920 0.644 CB 1.610 88 residues pruned to eliminate duplicates Z: 17 20.421 1.975 0.554 0.788 0.938 0.562 CB 1.378 17 residues pruned to eliminate duplicates Z: 25 25.887 1.967 0.664 0.663 0.958 0.625 CB 1.449 25 residues pruned to eliminate duplicates Z: 16 25.512 1.938 0.767 0.874 1.000 0.600 CA 1.400 16 residues pruned to eliminate duplicates Z: 16 17.717 1.942 0.251 0.883 1.000 0.933 CA 1.361 16 residues pruned to eliminate duplicates Z: 8 4.488 1.710 0.027 0.471 1.000 0.714 CB 0.994 Z: 28 26.402 1.973 0.720 0.546 1.000 0.630 CB 1.432 28 residues pruned to eliminate duplicates Z: 25 35.107 2.010 1.041 0.719 1.000 0.667 CB 1.433 25 residues pruned to eliminate duplicates Z: 30 26.254 2.177 0.519 0.624 0.931 0.690 CB 1.408 30 residues pruned to eliminate duplicates Z: 29 41.995 2.452 0.709 0.630 0.964 0.679 CA 1.738 29 residues pruned to eliminate duplicates Z: 9 15.021 1.865 0.671 0.853 1.000 0.750 CB 1.259 9 residues pruned to eliminate duplicates Z: 14 18.337 1.879 0.520 0.923 1.000 0.692 CB 1.251 14 residues pruned to eliminate duplicates Z: 17 12.218 1.791 0.274 0.522 0.938 0.562 CB 1.397 17 residues pruned to eliminate duplicates Z: 17 19.870 1.971 0.405 0.913 1.000 0.875 CB 1.270 17 residues pruned to eliminate duplicates Z: 13 11.201 1.958 0.419 0.776 0.750 0.333 CB 1.216 13 residues pruned to eliminate duplicates Z: 15 18.498 1.899 0.491 0.890 0.929 0.786 CB 1.354 15 residues pruned to eliminate duplicates Z: 18 19.842 1.884 0.418 0.874 1.000 0.824 CB 1.311 18 residues pruned to eliminate duplicates Z: 30 27.512 2.053 0.741 0.616 0.931 0.552 CB 1.375 30 residues pruned to eliminate duplicates Z: 35 46.656 2.338 0.866 0.583 0.971 0.647 CB 1.745 35 residues pruned to eliminate duplicates Z: 13 10.083 2.024 0.652 0.378 0.833 0.667 CA 1.190 13 residues pruned to eliminate duplicates Z: 32 35.814 2.155 0.740 0.571 0.968 0.742 CB 1.655 31 residues pruned to eliminate duplicates Z: 16 25.314 1.951 0.686 0.873 1.000 0.867 CB 1.447 16 residues pruned to eliminate duplicates 6 1.770 1.470 0.486 0.387 0.600 0.600 CB 0.680 ? Z: 16 10.659 1.853 0.637 0.299 0.933 0.667 CB 1.217 16 residues pruned to eliminate duplicates Z: 8 5.152 1.980 0.786 0.353 0.857 0.714 CB 0.753 Z: 22 9.176 2.045 0.504 0.162 0.714 0.381 CB 1.377 22 residues pruned to eliminate duplicates Z: 61 49.812 2.260 0.732 0.521 0.967 0.683 CB 1.664 93 residues pruned to eliminate duplicates Z: 22 27.158 2.223 0.659 0.543 0.905 0.571 CB 1.703 22 residues pruned to eliminate duplicates Z: 21 27.013 2.313 0.521 0.732 0.900 0.800 CA 1.548 21 residues pruned to eliminate duplicates Z: 28 40.252 2.156 0.884 0.643 1.000 0.741 CB 1.668 28 residues pruned to eliminate duplicates Z: 8 17.697 2.023 0.742 0.770 1.000 0.857 CA 1.495 8 residues pruned to eliminate duplicates Z: 49 45.600 2.236 0.785 0.522 0.938 0.604 CB 1.722 67 residues pruned to eliminate duplicates Z: 20 29.408 2.103 0.787 0.670 1.000 0.684 CB 1.534 20 residues pruned to eliminate duplicates Z: 15 18.780 1.860 0.565 0.887 1.000 0.929 CB 1.243 15 residues pruned to eliminate duplicates Z: 6 3.191 1.982 -0.248 0.425 0.800 0.200 CB 1.295 Z: 26 40.114 2.362 0.928 0.593 0.920 0.640 CB 1.753 26 residues pruned to eliminate duplicates Z: 26 49.380 2.487 0.968 0.680 0.960 0.680 CA 1.781 26 residues pruned to eliminate duplicates Z: 18 20.373 2.128 0.614 0.491 0.882 0.647 CA 1.645 18 residues pruned to eliminate duplicates Z: 7 8.449 2.137 0.096 0.650 1.000 0.833 CB 1.280 5 residues pruned to eliminate duplicates Z: 8 8.711 1.898 1.133 0.484 0.714 0.571 CB 1.157 Z: 16 16.921 1.809 0.400 0.855 1.000 0.800 CB 1.273 16 residues pruned to eliminate duplicates Z: 55 50.575 2.363 0.959 0.530 0.907 0.611 CB 1.591 55 residues pruned to eliminate duplicates Z: 12 29.390 2.231 0.686 0.800 1.000 0.818 CA 1.813 12 residues pruned to eliminate duplicates Z: 57 47.143 2.447 0.820 0.503 0.857 0.571 CB 1.645 57 residues pruned to eliminate duplicates Z: 28 27.626 2.073 0.804 0.652 0.889 0.667 CB 1.389 28 residues pruned to eliminate duplicates Z: 6 5.144 1.622 0.466 0.753 1.000 0.600 CB 0.772 6 residues pruned to eliminate duplicates Z: 9 22.608 2.108 0.895 0.882 1.000 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 18 37.280 2.219 1.016 0.723 1.000 0.706 CA 1.652 18 residues pruned to eliminate duplicates Z: 10 21.683 1.996 0.777 0.856 1.000 0.444 CA 1.503 18 residues pruned to eliminate duplicates Z: 16 30.642 1.985 1.078 0.879 1.000 0.533 CB 1.391 16 residues pruned to eliminate duplicates Z: 19 18.096 2.075 0.720 0.497 0.889 0.611 CB 1.349 Z: 13 14.000 2.019 0.315 0.764 0.917 0.583 CB 1.313 13 residues pruned to eliminate duplicates Z: 9 14.210 1.831 0.657 0.661 1.000 0.625 CA 1.425 9 residues pruned to eliminate duplicates Z: 6 8.797 1.932 0.966 0.628 0.800 0.800 CB 1.148 Z: 6 2.700 1.913 -0.248 0.318 0.800 0.800 CB 1.282 6 residues pruned to eliminate duplicates Z: 15 14.541 1.763 0.268 0.908 1.000 0.857 CB 1.234 15 residues pruned to eliminate duplicates Z: 25 10.739 1.774 0.588 0.393 0.792 0.583 CB 1.101 25 residues pruned to eliminate duplicates Z: 49 28.304 1.930 0.657 0.467 0.958 0.708 CB 1.378 49 residues pruned to eliminate duplicates Z: 139 75.206 2.297 0.892 0.513 0.920 0.659 CB 1.580 139 residues pruned to eliminate duplicates Z: 27 29.530 2.100 0.717 0.604 0.962 0.692 CB 1.514 27 residues pruned to eliminate duplicates Z: 29 30.869 2.216 0.657 0.570 0.929 0.679 CB 1.598 Z: 22 26.299 2.049 0.715 0.743 0.952 0.857 CA 1.380 22 residues pruned to eliminate duplicates Z: 16 22.360 2.045 0.681 0.905 0.933 0.667 CB 1.280 16 residues pruned to eliminate duplicates Z: 6 4.398 1.848 -0.069 0.676 1.000 0.600 CB 0.972 Z: 6 6.004 1.788 0.300 0.757 0.800 0.800 N 1.148 Z: 9 24.945 2.129 1.062 0.884 1.000 0.750 CA 1.452 9 residues pruned to eliminate duplicates Z: 11 21.384 1.827 1.107 0.901 0.900 0.500 CA 1.393 10 residues pruned to eliminate duplicates Z: 48 21.889 2.060 0.747 0.240 0.787 0.489 CB 1.522 48 residues pruned to eliminate duplicates Z: 29 41.774 2.440 0.769 0.649 0.893 0.607 CB 1.782 29 residues pruned to eliminate duplicates Z: 6 2.513 1.936 -0.382 0.640 1.000 0.600 CB 0.824 Z: 10 17.407 2.058 0.542 0.765 1.000 0.333 CA 1.445 11 residues pruned to eliminate duplicates Z: 12 35.238 2.547 1.034 0.926 0.909 0.727 CA 1.582 12 residues pruned to eliminate duplicates Z: 14 36.958 2.245 1.088 0.940 1.000 0.462 CB 1.518 14 residues pruned to eliminate duplicates Z: 20 49.166 2.502 1.138 0.727 0.947 0.526 CA 1.815 20 residues pruned to eliminate duplicates Z: 9 18.880 2.013 0.777 0.871 0.875 0.500 CA 1.556 9 residues pruned to eliminate duplicates Z: 17 22.584 1.947 0.616 0.879 1.000 0.875 CB 1.301 17 residues pruned to eliminate duplicates Z: 7 13.092 1.995 0.431 0.867 1.000 1.000 CB 1.370 7 residues pruned to eliminate duplicates Z: 74 52.787 2.162 0.906 0.515 0.918 0.671 CB 1.608 74 residues pruned to eliminate duplicates Z: 6 3.828 1.769 -0.314 0.838 1.000 1.000 N 1.054 5 residues pruned to eliminate duplicates Z: 38 59.961 2.555 1.040 0.606 0.946 0.595 CB 1.808 38 residues pruned to eliminate duplicates Z: 103 66.178 2.391 0.808 0.500 0.882 0.627 CB 1.717 103 residues pruned to eliminate duplicates Z: 6 3.618 1.600 -0.180 0.580 1.000 0.600 CB 1.142 3 residues pruned to eliminate duplicates Z: 19 16.627 1.850 0.503 0.653 0.944 0.833 CB 1.295 19 residues pruned to eliminate duplicates Z: 16 29.758 2.349 0.480 0.910 0.933 0.933 CB 1.679 16 residues pruned to eliminate duplicates Z: 13 20.582 2.028 0.655 0.744 1.000 0.750 CB 1.423 13 residues pruned to eliminate duplicates Z: 26 26.088 1.936 0.896 0.590 0.960 0.600 CB 1.359 26 residues pruned to eliminate duplicates Z: 30 23.205 2.019 0.604 0.560 0.897 0.690 CB 1.400 30 residues pruned to eliminate duplicates Z: 19 22.723 2.044 0.671 0.571 0.944 0.722 CB 1.551 19 residues pruned to eliminate duplicates Z: 16 14.755 1.726 0.356 0.813 0.933 0.867 CB 1.328 16 residues pruned to eliminate duplicates Z: 34 23.817 2.031 0.508 0.553 1.000 0.667 CB 1.285 34 residues pruned to eliminate duplicates Z: 10 12.020 1.816 0.738 0.462 1.000 0.667 CB 1.321 Z: 11 15.521 1.643 0.920 0.800 0.900 0.300 CA 1.330 11 residues pruned to eliminate duplicates Z: 28 24.022 1.941 0.573 0.603 0.963 0.741 CA 1.425 28 residues pruned to eliminate duplicates Z: 46 48.303 2.253 0.835 0.587 0.978 0.667 CB 1.638 46 residues pruned to eliminate duplicates Z: 13 24.775 2.171 0.557 0.916 1.000 1.000 CA 1.494 13 residues pruned to eliminate duplicates Z: 6 4.292 1.287 0.689 0.754 0.800 0.800 O 0.880 Z: 15 19.856 1.858 0.524 0.925 1.000 0.786 CB 1.314 15 residues pruned to eliminate duplicates Z: 8 5.836 1.737 0.415 0.555 0.857 0.714 CB 0.992 8 residues pruned to eliminate duplicates Z: 11 12.858 1.844 0.511 0.747 0.900 0.700 CB 1.300 11 residues pruned to eliminate duplicates Z: 104 55.405 2.259 0.769 0.486 0.893 0.583 CB 1.551 110 residues pruned to eliminate duplicates Z: 15 23.050 1.907 0.676 0.927 1.000 0.857 CB 1.351 15 residues pruned to eliminate duplicates Z: 15 17.472 1.828 0.366 0.899 1.000 0.857 CA 1.336 15 residues pruned to eliminate duplicates Z: 7 11.793 1.937 0.455 0.827 0.833 0.667 CA 1.545 7 residues pruned to eliminate duplicates Z: 13 5.979 2.001 -0.222 0.581 0.833 0.583 CB 1.231 13 residues pruned to eliminate duplicates Z: 34 39.000 2.302 0.845 0.530 0.879 0.606 CB 1.767 34 residues pruned to eliminate duplicates Z: 9 3.791 1.672 0.357 0.327 0.750 0.500 CB 0.953 Z: 17 29.854 1.920 1.079 0.922 0.938 0.500 CA 1.402 17 residues pruned to eliminate duplicates Z: 6 6.564 1.881 0.135 0.517 1.000 0.600 CB 1.352 6 residues pruned to eliminate duplicates Z: 8 11.393 1.847 0.951 0.656 1.000 0.857 CB 1.033 Z: 14 19.680 2.093 0.411 0.924 1.000 1.000 CB 1.298 14 residues pruned to eliminate duplicates Z: 24 42.122 2.394 0.868 0.699 0.913 0.522 CA 1.794 24 residues pruned to eliminate duplicates Z: 55 45.150 2.170 0.852 0.557 0.926 0.685 CB 1.561 55 residues pruned to eliminate duplicates Z: 10 12.888 2.139 0.524 0.404 1.000 0.556 CA 1.457 10 residues pruned to eliminate duplicates Z: 10 6.864 1.647 0.606 0.446 0.778 0.556 N 1.176 10 residues pruned to eliminate duplicates Z: 20 14.362 2.102 0.751 0.289 0.789 0.421 CB 1.438 20 residues pruned to eliminate duplicates Z: 17 23.345 1.996 0.960 0.926 0.938 0.625 CB 1.116 17 residues pruned to eliminate duplicates Z: 25 22.387 2.095 0.596 0.558 0.917 0.625 CB 1.410 24 residues pruned to eliminate duplicates Z: 15 22.899 1.919 0.737 0.917 1.000 0.786 CB 1.296 15 residues pruned to eliminate duplicates Z: 6 5.949 1.823 0.449 0.745 0.600 0.400 CA 1.348 6 residues pruned to eliminate duplicates Z: 28 22.907 2.024 0.672 0.588 0.889 0.630 CB 1.348 28 residues pruned to eliminate duplicates Z: 6 4.922 1.744 0.297 0.323 0.800 0.200 CB 1.477 6 residues pruned to eliminate duplicates Z: 8 2.306 1.338 0.139 0.257 0.714 0.429 N 1.058 Z: 28 34.977 2.153 0.787 0.612 0.963 0.704 CB 1.635 28 residues pruned to eliminate duplicates Z: 30 28.260 2.069 0.590 0.637 1.000 0.690 CB 1.403 30 residues pruned to eliminate duplicates Z: 7 4.079 2.012 -0.388 0.507 1.000 0.667 CB 1.343 7 residues pruned to eliminate duplicates Z: 31 46.048 2.332 0.897 0.601 0.967 0.633 CA 1.786 31 residues pruned to eliminate duplicates Z: 14 17.440 1.905 0.629 0.729 0.846 0.692 CA 1.498 14 residues pruned to eliminate duplicates Z: 81 69.204 2.407 1.028 0.551 0.900 0.650 CB 1.676 81 residues pruned to eliminate duplicates Z: 27 34.288 2.218 0.797 0.592 0.923 0.654 CA 1.673 27 residues pruned to eliminate duplicates Z: 13 16.375 2.019 0.661 0.570 0.917 0.500 CB 1.437 13 residues pruned to eliminate duplicates Z: 10 8.400 1.860 0.575 0.463 0.778 0.778 CB 1.276 10 residues pruned to eliminate duplicates Z: 19 16.815 1.908 0.314 0.655 0.944 0.833 CB 1.449 19 residues pruned to eliminate duplicates Z: 14 7.192 1.825 -0.150 0.482 1.000 0.846 CB 1.309 14 residues pruned to eliminate duplicates Z: 47 27.325 1.897 0.618 0.568 0.891 0.652 CB 1.379 50 residues pruned to eliminate duplicates Z: 19 18.211 2.066 0.591 0.554 0.833 0.722 CA 1.487 19 residues pruned to eliminate duplicates Z: 15 17.659 1.766 0.632 0.826 1.000 0.500 CB 1.236 15 residues pruned to eliminate duplicates Z: 6 3.768 1.541 0.133 0.470 0.800 0.600 N 1.244 Z: 11 5.189 1.464 0.564 0.235 0.900 0.400 CB 1.084 Z: 16 22.469 1.958 0.577 0.895 1.000 0.867 CB 1.347 16 residues pruned to eliminate duplicates Z: 23 29.014 2.239 0.773 0.615 0.864 0.364 CA 1.618 23 residues pruned to eliminate duplicates Z: 35 45.884 2.266 1.019 0.591 0.912 0.706 CB 1.729 35 residues pruned to eliminate duplicates Z: 17 10.247 1.848 0.500 0.338 0.750 0.312 CB 1.471 12 residues pruned to eliminate duplicates Z: 34 34.003 2.080 0.691 0.610 0.939 0.606 CB 1.614 34 residues pruned to eliminate duplicates Z: 9 13.339 1.989 0.309 0.909 1.000 0.625 CB 1.285 9 residues pruned to eliminate duplicates Z: 16 8.478 1.882 0.402 0.381 0.867 0.467 CB 1.087 16 residues pruned to eliminate duplicates Z: 16 20.996 2.219 0.927 0.326 1.000 0.533 CB 1.536 16 residues pruned to eliminate duplicates Z: 29 45.245 2.438 0.909 0.627 0.929 0.607 CA 1.756 29 residues pruned to eliminate duplicates Z: 18 26.308 2.253 0.802 0.578 0.941 0.353 CB 1.549 18 residues pruned to eliminate duplicates Z: 20 13.522 1.749 0.558 0.509 0.789 0.579 CA 1.430 20 residues pruned to eliminate duplicates Z: 33 29.021 2.042 0.500 0.644 1.000 0.781 CB 1.464 33 residues pruned to eliminate duplicates Z: 16 19.470 1.764 0.849 0.929 0.933 0.733 CB 1.155 16 residues pruned to eliminate duplicates Z: 23 17.529 2.160 0.484 0.450 0.773 0.545 CB 1.587 27 residues pruned to eliminate duplicates Z: 6 5.847 1.733 0.156 0.464 1.000 0.600 CB 1.354 Z: 91 62.087 2.368 0.730 0.536 0.944 0.633 CB 1.632 91 residues pruned to eliminate duplicates Z: 23 30.382 2.154 0.640 0.676 1.000 0.727 CA 1.560 23 residues pruned to eliminate duplicates Z: 11 18.461 2.033 0.689 0.677 1.000 0.900 CB 1.444 11 residues pruned to eliminate duplicates Z: 6 20.394 2.028 1.423 0.707 1.000 1.000 CA 1.537 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 16 13.874 2.002 0.432 0.430 0.933 0.533 CB 1.439 16 residues pruned to eliminate duplicates Z: 14 14.217 2.030 0.411 0.508 0.923 0.615 CA 1.479 14 residues pruned to eliminate duplicates Z: 17 12.695 1.963 0.542 0.419 0.812 0.438 CB 1.405 18 residues pruned to eliminate duplicates Z: 10 12.713 2.018 0.749 0.879 0.667 0.556 CA 1.306 10 residues pruned to eliminate duplicates Z: 16 13.954 2.015 0.386 0.455 0.933 0.467 CB 1.447 16 residues pruned to eliminate duplicates Z: 16 13.535 1.956 0.477 0.481 0.867 0.400 CB 1.423 16 residues pruned to eliminate duplicates Z: 17 13.268 1.938 0.382 0.508 0.875 0.562 CB 1.404 16 residues pruned to eliminate duplicates Z: 9 25.695 2.148 1.025 0.877 1.000 0.750 CA 1.517 14 residues pruned to eliminate duplicates Z: 11 19.998 1.896 0.903 0.828 0.900 0.700 CA 1.467 11 residues pruned to eliminate duplicates Z: 15 14.847 1.960 0.552 0.515 0.857 0.500 CB 1.500 15 residues pruned to eliminate duplicates Z: 26 26.010 2.022 0.627 0.580 0.960 0.680 CB 1.525 22 residues pruned to eliminate duplicates Z: 16 22.099 2.237 0.323 0.807 1.000 0.867 CA 1.475 16 residues pruned to eliminate duplicates Z: 29 31.863 2.112 0.741 0.623 0.964 0.571 CA 1.512 29 residues pruned to eliminate duplicates Z: 27 28.417 2.100 0.711 0.623 0.923 0.615 CB 1.496 27 residues pruned to eliminate duplicates Z: 29 28.937 2.073 0.703 0.606 0.964 0.500 CB 1.453 29 residues pruned to eliminate duplicates Z: 27 34.469 2.140 0.878 0.633 1.000 0.538 CB 1.484 27 residues pruned to eliminate duplicates Z: 25 27.041 2.101 0.715 0.621 0.917 0.458 CB 1.492 25 residues pruned to eliminate duplicates Z: 26 32.109 2.126 0.740 0.627 0.960 0.640 CA 1.604 26 residues pruned to eliminate duplicates Z: 27 28.086 2.069 0.711 0.611 0.885 0.462 CB 1.582 27 residues pruned to eliminate duplicates Z: 31 30.585 2.015 0.854 0.580 0.933 0.533 CB 1.483 31 residues pruned to eliminate duplicates Z: 44 30.095 1.996 0.669 0.594 0.907 0.558 CB 1.389 44 residues pruned to eliminate duplicates Z: 29 31.129 2.106 0.872 0.615 0.929 0.679 CB 1.442 29 residues pruned to eliminate duplicates Z: 26 31.132 2.106 0.719 0.617 1.000 0.480 CB 1.540 26 residues pruned to eliminate duplicates Z: 31 29.188 2.037 0.794 0.582 0.933 0.467 CB 1.444 31 residues pruned to eliminate duplicates Z: 28 30.007 2.102 0.766 0.620 0.926 0.593 CB 1.501 28 residues pruned to eliminate duplicates Z: 26 26.626 2.116 0.743 0.620 0.840 0.560 CB 1.535 26 residues pruned to eliminate duplicates Z: 28 29.720 2.083 0.835 0.591 0.889 0.556 CB 1.543 28 residues pruned to eliminate duplicates Z: 28 25.453 2.050 0.683 0.602 0.852 0.593 CB 1.513 28 residues pruned to eliminate duplicates Z: 29 27.324 2.066 0.697 0.575 0.929 0.464 CB 1.475 29 residues pruned to eliminate duplicates Z: 30 25.146 1.973 0.689 0.535 0.931 0.552 CB 1.453 30 residues pruned to eliminate duplicates Z: 44 31.263 1.965 0.682 0.620 0.907 0.628 CB 1.421 44 residues pruned to eliminate duplicates Z: 20 19.359 1.878 0.574 0.673 0.895 0.789 CB 1.432 20 residues pruned to eliminate duplicates Z: 23 19.344 1.860 0.452 0.667 0.955 0.773 CB 1.370 23 residues pruned to eliminate duplicates Z: 72 32.609 1.987 0.478 0.512 0.930 0.648 CB 1.401 72 residues pruned to eliminate duplicates Z: 51 25.497 1.962 0.487 0.461 0.940 0.700 CB 1.368 51 residues pruned to eliminate duplicates Z: 31 19.755 1.908 0.459 0.552 0.900 0.733 CB 1.368 31 residues pruned to eliminate duplicates Z: 37 22.488 1.928 0.428 0.513 0.944 0.694 CB 1.423 37 residues pruned to eliminate duplicates Z: 31 20.341 1.866 0.519 0.564 0.900 0.633 CB 1.367 31 residues pruned to eliminate duplicates Z: 36 20.616 1.923 0.500 0.523 0.886 0.657 CB 1.333 36 residues pruned to eliminate duplicates Z: 22 18.647 1.869 0.525 0.633 0.952 0.762 CB 1.323 22 residues pruned to eliminate duplicates Z: 19 17.519 1.920 0.578 0.619 0.889 0.667 CB 1.370 19 residues pruned to eliminate duplicates Z: 71 30.903 1.935 0.519 0.513 0.929 0.600 CB 1.336 71 residues pruned to eliminate duplicates Z: 22 19.209 1.829 0.671 0.667 0.952 0.524 CB 1.234 22 residues pruned to eliminate duplicates Z: 72 32.700 1.974 0.541 0.507 0.944 0.676 CB 1.342 72 residues pruned to eliminate duplicates Z: 24 17.374 1.815 0.614 0.631 0.913 0.478 CB 1.198 24 residues pruned to eliminate duplicates Z: 54 24.397 1.924 0.599 0.481 0.849 0.585 CB 1.308 54 residues pruned to eliminate duplicates Z: 37 22.048 1.883 0.627 0.506 0.917 0.556 CB 1.301 37 residues pruned to eliminate duplicates Z: 30 23.444 1.956 0.646 0.522 1.000 0.483 CB 1.323 30 residues pruned to eliminate duplicates Z: 40 22.757 1.881 0.649 0.499 0.923 0.641 CB 1.273 40 residues pruned to eliminate duplicates Z: 21 22.765 1.915 0.825 0.727 0.950 0.650 CB 1.249 21 residues pruned to eliminate duplicates Z: 39 21.851 1.909 0.690 0.478 0.868 0.605 CB 1.294 39 residues pruned to eliminate duplicates Z: 64 26.298 1.898 0.558 0.417 0.905 0.524 CB 1.350 64 residues pruned to eliminate duplicates Z: 30 23.037 1.891 0.698 0.544 0.966 0.586 CB 1.321 30 residues pruned to eliminate duplicates Z: 72 30.694 1.969 0.566 0.500 0.887 0.648 CB 1.331 72 residues pruned to eliminate duplicates Z: 70 30.480 1.975 0.586 0.519 0.884 0.667 CB 1.301 70 residues pruned to eliminate duplicates Z: 51 27.055 2.001 0.565 0.434 0.940 0.580 CB 1.392 51 residues pruned to eliminate duplicates Z: 31 22.362 1.822 0.606 0.593 0.933 0.667 CB 1.367 31 residues pruned to eliminate duplicates Z: 32 19.959 1.814 0.593 0.514 0.871 0.710 CB 1.405 32 residues pruned to eliminate duplicates Z: 31 21.212 1.759 0.718 0.560 0.933 0.600 CB 1.296 31 residues pruned to eliminate duplicates Z: 87 34.891 1.987 0.585 0.502 0.907 0.616 CB 1.315 87 residues pruned to eliminate duplicates Z: 50 21.327 1.878 0.597 0.429 0.878 0.429 CB 1.246 50 residues pruned to eliminate duplicates Z: 53 25.919 1.985 0.560 0.408 0.923 0.615 CB 1.384 53 residues pruned to eliminate duplicates Z: 51 26.071 2.013 0.587 0.412 0.920 0.640 CB 1.376 51 residues pruned to eliminate duplicates Z: 22 8.991 1.782 0.486 0.264 0.810 0.476 CB 1.198 22 residues pruned to eliminate duplicates Z: 35 22.699 1.925 0.685 0.500 0.971 0.647 CB 1.237 35 residues pruned to eliminate duplicates Z: 35 16.259 1.892 0.537 0.349 0.912 0.647 CB 1.239 35 residues pruned to eliminate duplicates Z: 53 23.571 1.954 0.485 0.428 0.904 0.596 CB 1.343 53 residues pruned to eliminate duplicates Z: 51 28.356 2.039 0.595 0.456 0.940 0.680 CB 1.372 51 residues pruned to eliminate duplicates Z: 42 22.293 1.890 0.667 0.463 0.927 0.634 CB 1.238 42 residues pruned to eliminate duplicates Z: 74 34.562 1.959 0.680 0.517 0.959 0.589 CB 1.260 74 residues pruned to eliminate duplicates Z: 33 15.604 1.958 0.577 0.249 0.875 0.625 CB 1.364 33 residues pruned to eliminate duplicates Z: 34 20.345 2.036 0.343 0.513 0.939 0.667 CB 1.361 34 residues pruned to eliminate duplicates Z: 50 26.676 2.019 0.608 0.449 0.980 0.653 CB 1.263 50 residues pruned to eliminate duplicates Z: 71 33.936 1.984 0.550 0.534 0.957 0.643 CB 1.333 71 residues pruned to eliminate duplicates Z: 34 22.867 2.043 0.452 0.512 0.970 0.697 CB 1.367 34 residues pruned to eliminate duplicates Z: 33 26.373 2.036 0.553 0.540 1.000 0.719 CB 1.417 33 residues pruned to eliminate duplicates Z: 34 25.928 2.084 0.555 0.568 0.970 0.697 CB 1.345 34 residues pruned to eliminate duplicates Z: 13 12.521 2.117 0.524 0.360 0.833 0.500 CB 1.563 13 residues pruned to eliminate duplicates Z: 18 9.415 1.934 0.502 0.316 0.824 0.412 CB 1.170 18 residues pruned to eliminate duplicates Z: 36 25.441 2.046 0.512 0.547 0.971 0.714 CB 1.367 36 residues pruned to eliminate duplicates Z: 71 32.613 1.986 0.602 0.511 0.929 0.571 CB 1.306 71 residues pruned to eliminate duplicates Z: 10 11.969 2.113 0.642 0.392 1.000 0.222 CB 1.289 10 residues pruned to eliminate duplicates Z: 72 34.527 1.988 0.592 0.513 0.958 0.634 CB 1.335 72 residues pruned to eliminate duplicates Z: 31 24.253 2.083 0.485 0.603 0.933 0.600 CB 1.391 31 residues pruned to eliminate duplicates Z: 47 21.819 1.975 0.487 0.439 0.935 0.565 CB 1.248 47 residues pruned to eliminate duplicates Z: 68 30.154 2.036 0.634 0.450 0.910 0.642 CB 1.281 67 residues pruned to eliminate duplicates Z: 18 22.451 1.895 0.583 0.804 1.000 0.882 CB 1.393 18 residues pruned to eliminate duplicates Z: 28 23.460 2.053 0.542 0.624 0.889 0.630 CB 1.427 28 residues pruned to eliminate duplicates Z: 70 31.405 2.029 0.557 0.476 0.913 0.609 CB 1.343 71 residues pruned to eliminate duplicates Z: 16 21.532 2.051 0.438 0.887 1.000 0.733 CB 1.360 16 residues pruned to eliminate duplicates Z: 25 22.199 2.047 0.544 0.681 0.958 0.583 CB 1.267 25 residues pruned to eliminate duplicates Z: 52 25.252 1.982 0.607 0.512 0.902 0.569 CB 1.216 53 residues pruned to eliminate duplicates Z: 16 17.521 2.014 0.175 0.903 1.000 0.800 CB 1.363 16 residues pruned to eliminate duplicates Z: 44 28.656 2.090 0.575 0.601 0.953 0.535 CB 1.264 44 residues pruned to eliminate duplicates Z: 50 30.095 2.031 0.650 0.472 0.959 0.673 CB 1.376 50 residues pruned to eliminate duplicates Z: 70 30.863 2.043 0.624 0.455 0.884 0.536 CB 1.326 70 residues pruned to eliminate duplicates Z: 28 28.616 2.080 0.739 0.624 0.963 0.667 CB 1.407 28 residues pruned to eliminate duplicates Z: 34 22.875 2.041 0.464 0.588 0.909 0.576 CB 1.347 34 residues pruned to eliminate duplicates Z: 26 23.408 2.097 0.640 0.585 0.920 0.520 CB 1.364 26 residues pruned to eliminate duplicates Z: 48 30.800 2.073 0.680 0.563 0.915 0.702 CB 1.327 48 residues pruned to eliminate duplicates Z: 57 27.233 2.030 0.586 0.524 0.875 0.625 CB 1.262 57 residues pruned to eliminate duplicates Z: 106 38.153 1.959 0.666 0.496 0.895 0.562 CB 1.279 105 residues pruned to eliminate duplicates Z: 6 3.595 1.718 0.144 0.387 0.800 0.600 N 1.152 6 residues pruned to eliminate duplicates Z: 17 21.635 2.172 0.573 0.562 1.000 0.562 CB 1.490 17 residues pruned to eliminate duplicates Z: 18 22.206 2.149 0.892 0.483 0.882 0.647 CB 1.527 18 residues pruned to eliminate duplicates Z: 17 20.687 2.165 0.814 0.532 0.875 0.625 CB 1.459 17 residues pruned to eliminate duplicates Z: 17 20.510 2.189 0.772 0.534 0.938 0.500 CB 1.364 17 residues pruned to eliminate duplicates Z: 20 16.061 2.009 0.589 0.459 0.895 0.632 CB 1.346 20 residues pruned to eliminate duplicates Z: 16 22.890 2.210 0.761 0.523 1.000 0.533 CB 1.485 16 residues pruned to eliminate duplicates Z: 21 18.938 2.113 0.675 0.353 0.950 0.650 CB 1.476 21 residues pruned to eliminate duplicates Z: 17 21.198 2.180 0.785 0.461 0.938 0.500 CB 1.511 17 residues pruned to eliminate duplicates Z: 19 19.909 2.137 0.644 0.399 0.944 0.611 CB 1.572 19 residues pruned to eliminate duplicates Z: 22 17.933 2.062 0.645 0.409 0.952 0.619 CB 1.334 22 residues pruned to eliminate duplicates Z: 28 15.655 1.976 0.548 0.387 0.926 0.667 CB 1.199 28 residues pruned to eliminate duplicates Z: 22 18.505 2.075 0.627 0.399 0.952 0.571 CB 1.398 22 residues pruned to eliminate duplicates Z: 22 18.193 2.019 0.734 0.383 0.905 0.571 CB 1.419 22 residues pruned to eliminate duplicates Z: 54 26.064 1.971 0.616 0.469 0.906 0.491 CB 1.281 54 residues pruned to eliminate duplicates Z: 11 6.866 1.643 0.654 0.325 0.900 0.400 CB 1.075 11 residues pruned to eliminate duplicates Z: 6 5.676 1.707 0.423 0.472 0.800 0.600 CA 1.343 6 residues pruned to eliminate duplicates Z: 30 39.191 2.392 0.712 0.584 0.966 0.655 CB 1.697 30 residues pruned to eliminate duplicates Z: 31 40.075 2.373 0.700 0.605 0.967 0.567 CA 1.699 31 residues pruned to eliminate duplicates Z: 29 44.872 2.475 0.915 0.634 0.929 0.607 CA 1.700 29 residues pruned to eliminate duplicates Z: 27 39.255 2.384 0.816 0.582 0.962 0.577 CA 1.708 27 residues pruned to eliminate duplicates Z: 29 51.706 2.514 0.975 0.633 0.929 0.571 CB 1.871 29 residues pruned to eliminate duplicates Z: 29 44.587 2.466 0.881 0.624 0.929 0.643 CA 1.740 29 residues pruned to eliminate duplicates Z: 29 47.360 2.503 0.894 0.584 0.964 0.571 CB 1.806 29 residues pruned to eliminate duplicates Z: 29 45.286 2.475 0.828 0.597 1.000 0.607 CB 1.724 29 residues pruned to eliminate duplicates Z: 29 48.148 2.497 0.958 0.613 0.929 0.500 CB 1.801 29 residues pruned to eliminate duplicates Z: 29 45.276 2.416 0.960 0.595 0.964 0.571 CA 1.712 29 residues pruned to eliminate duplicates Z: 30 47.152 2.424 1.017 0.584 0.931 0.517 CB 1.774 30 residues pruned to eliminate duplicates Z: 29 47.416 2.414 0.906 0.595 1.000 0.571 CB 1.779 29 residues pruned to eliminate duplicates Z: 29 52.746 2.481 0.964 0.610 1.000 0.500 CB 1.843 29 residues pruned to eliminate duplicates Z: 29 51.207 2.487 1.030 0.624 0.964 0.464 CA 1.768 29 residues pruned to eliminate duplicates Z: 30 48.040 2.452 0.942 0.609 0.966 0.483 CB 1.749 30 residues pruned to eliminate duplicates Z: 29 49.284 2.495 0.972 0.631 0.929 0.607 CA 1.803 29 residues pruned to eliminate duplicates Z: 28 39.638 2.509 0.876 0.561 0.815 0.444 CA 1.875 28 residues pruned to eliminate duplicates Z: 29 45.806 2.487 0.984 0.612 0.893 0.429 CB 1.766 29 residues pruned to eliminate duplicates Z: 31 42.456 2.408 1.033 0.588 0.867 0.467 CB 1.679 31 residues pruned to eliminate duplicates Z: 31 43.107 2.384 0.937 0.580 0.900 0.533 CB 1.753 31 residues pruned to eliminate duplicates Z: 9 13.918 2.182 1.042 0.490 0.875 0.500 CB 1.275 Z: 18 18.930 1.865 0.541 0.723 0.941 0.824 CA 1.389 18 residues pruned to eliminate duplicates Z: 121 66.480 2.322 0.813 0.501 0.892 0.642 CB 1.615 121 residues pruned to eliminate duplicates Z: 67 43.030 2.188 0.735 0.528 0.909 0.697 CB 1.493 67 residues pruned to eliminate duplicates Z: 20 17.511 2.046 0.461 0.576 0.947 0.684 CB 1.319 20 residues pruned to eliminate duplicates Z: 15 25.410 2.157 0.674 0.686 1.000 0.857 CA 1.586 15 residues pruned to eliminate duplicates Z: 17 19.651 2.081 0.702 0.568 0.938 0.938 CA 1.385 17 residues pruned to eliminate duplicates Z: 17 25.431 2.123 0.861 0.675 0.938 0.875 CB 1.460 17 residues pruned to eliminate duplicates Z: 22 25.060 2.035 0.723 0.743 0.952 0.905 CA 1.317 22 residues pruned to eliminate duplicates Z: 136 77.902 2.320 0.920 0.505 0.919 0.607 CB 1.631 136 residues pruned to eliminate duplicates Z: 104 57.787 2.287 0.777 0.460 0.893 0.650 CB 1.633 104 residues pruned to eliminate duplicates Z: 65 46.341 2.181 0.883 0.466 0.938 0.641 CB 1.558 65 residues pruned to eliminate duplicates Z: 87 59.093 2.317 0.774 0.560 0.895 0.686 CB 1.634 87 residues pruned to eliminate duplicates Z: 107 61.699 2.305 0.764 0.474 0.915 0.651 CB 1.653 107 residues pruned to eliminate duplicates Z: 29 28.809 1.987 0.740 0.612 1.000 0.607 CB 1.416 29 residues pruned to eliminate duplicates Z: 73 47.144 2.189 0.778 0.517 0.931 0.597 CB 1.508 73 residues pruned to eliminate duplicates Z: 27 26.319 2.002 0.705 0.629 1.000 0.692 CA 1.339 27 residues pruned to eliminate duplicates Z: 103 60.872 2.286 0.834 0.481 0.922 0.657 CB 1.590 103 residues pruned to eliminate duplicates Z: 55 36.188 2.121 0.864 0.422 0.907 0.481 CB 1.488 55 residues pruned to eliminate duplicates Z: 112 70.861 2.391 0.865 0.487 0.910 0.604 CB 1.680 112 residues pruned to eliminate duplicates Z: 60 44.182 2.162 0.929 0.440 0.932 0.610 CB 1.575 60 residues pruned to eliminate duplicates Z: 38 33.922 2.081 0.947 0.544 0.892 0.676 CB 1.479 38 residues pruned to eliminate duplicates Z: 87 64.358 2.306 0.975 0.538 0.919 0.674 CB 1.598 87 residues pruned to eliminate duplicates Z: 22 14.321 2.068 0.782 0.226 0.810 0.619 CB 1.443 22 residues pruned to eliminate duplicates Z: 58 46.687 2.229 0.960 0.465 0.912 0.649 CB 1.609 58 residues pruned to eliminate duplicates Z: 76 52.821 2.324 0.898 0.445 0.893 0.520 CB 1.638 76 residues pruned to eliminate duplicates Z: 51 43.377 2.208 0.901 0.473 0.960 0.720 CB 1.566 51 residues pruned to eliminate duplicates Z: 61 40.172 2.134 0.845 0.435 0.950 0.650 CB 1.484 61 residues pruned to eliminate duplicates Z: 87 58.135 2.286 0.786 0.529 0.942 0.628 CB 1.585 87 residues pruned to eliminate duplicates Z: 89 63.318 2.301 0.903 0.481 0.943 0.648 CB 1.666 89 residues pruned to eliminate duplicates Z: 113 70.879 2.349 0.922 0.481 0.911 0.607 CB 1.660 113 residues pruned to eliminate duplicates Z: 135 77.215 2.317 0.883 0.522 0.925 0.657 CB 1.617 135 residues pruned to eliminate duplicates Z: 31 21.604 2.197 1.000 0.210 0.833 0.567 CB 1.518 31 residues pruned to eliminate duplicates Z: 102 63.228 2.303 0.886 0.486 0.941 0.653 CB 1.562 102 residues pruned to eliminate duplicates Z: 52 43.010 2.167 1.035 0.463 0.922 0.745 CB 1.540 52 residues pruned to eliminate duplicates Z: 93 60.463 2.283 0.879 0.514 0.913 0.663 CB 1.587 93 residues pruned to eliminate duplicates Z: 139 82.565 2.331 0.919 0.525 0.949 0.667 CB 1.615 139 residues pruned to eliminate duplicates Z: 82 47.667 2.316 0.830 0.413 0.864 0.543 CB 1.584 82 residues pruned to eliminate duplicates Z: 38 44.311 2.383 0.940 0.529 0.892 0.568 CB 1.716 38 residues pruned to eliminate duplicates Z: 61 48.797 2.419 0.847 0.515 0.867 0.567 CB 1.603 61 residues pruned to eliminate duplicates Z: 135 78.898 2.326 0.872 0.521 0.955 0.612 CB 1.605 135 residues pruned to eliminate duplicates Z: 142 76.302 2.308 0.880 0.497 0.901 0.688 CB 1.649 142 residues pruned to eliminate duplicates Z: 52 41.631 2.118 0.988 0.483 0.941 0.667 CB 1.496 52 residues pruned to eliminate duplicates Z: 159 85.198 2.343 0.926 0.529 0.886 0.595 CB 1.647 159 residues pruned to eliminate duplicates Z: 114 68.491 2.379 0.785 0.477 0.920 0.611 CB 1.687 114 residues pruned to eliminate duplicates Z: 62 52.415 2.456 0.797 0.514 0.885 0.590 CB 1.693 62 residues pruned to eliminate duplicates Z: 89 69.855 2.434 0.830 0.548 0.932 0.625 CB 1.713 89 residues pruned to eliminate duplicates Z: 77 46.253 2.285 0.816 0.487 0.842 0.592 CB 1.538 77 residues pruned to eliminate duplicates Z: 56 50.700 2.415 0.845 0.507 0.909 0.655 CB 1.676 56 residues pruned to eliminate duplicates Z: 96 62.294 2.341 0.807 0.539 0.884 0.589 CB 1.644 96 residues pruned to eliminate duplicates Z: 83 71.235 2.444 0.955 0.555 0.927 0.646 CB 1.685 83 residues pruned to eliminate duplicates Z: 86 57.782 2.362 0.891 0.508 0.871 0.588 CB 1.600 86 residues pruned to eliminate duplicates Z: 48 49.242 2.446 0.949 0.545 0.851 0.617 CB 1.695 48 residues pruned to eliminate duplicates Z: 42 49.638 2.473 0.827 0.621 0.878 0.659 CB 1.743 42 residues pruned to eliminate duplicates Z: 137 76.609 2.314 0.848 0.510 0.934 0.588 CB 1.629 137 residues pruned to eliminate duplicates Z: 96 68.345 2.370 0.816 0.536 0.937 0.558 CB 1.679 96 residues pruned to eliminate duplicates Z: 135 79.488 2.332 0.895 0.529 0.933 0.612 CB 1.620 135 residues pruned to eliminate duplicates Z: 55 49.808 2.366 0.937 0.507 0.870 0.667 CB 1.688 55 residues pruned to eliminate duplicates Z: 40 50.383 2.445 0.828 0.615 0.923 0.692 CB 1.754 40 residues pruned to eliminate duplicates Z: 53 45.259 2.407 0.894 0.511 0.846 0.558 CB 1.609 53 residues pruned to eliminate duplicates Z: 91 63.857 2.384 0.871 0.523 0.867 0.556 CB 1.702 91 residues pruned to eliminate duplicates Z: 50 44.542 2.373 0.845 0.543 0.837 0.571 CB 1.665 50 residues pruned to eliminate duplicates Z: 56 51.617 2.440 0.856 0.511 0.891 0.582 CB 1.706 56 residues pruned to eliminate duplicates Z: 52 51.235 2.445 0.892 0.539 0.922 0.608 CB 1.620 52 residues pruned to eliminate duplicates Z: 58 52.010 2.404 0.881 0.527 0.912 0.561 CB 1.626 58 residues pruned to eliminate duplicates Z: 116 61.296 2.359 0.793 0.463 0.896 0.600 CB 1.567 116 residues pruned to eliminate duplicates Z: 45 45.979 2.481 0.877 0.549 0.886 0.500 CB 1.601 45 residues pruned to eliminate duplicates Z: 46 59.622 2.432 1.107 0.615 0.956 0.578 CB 1.628 46 residues pruned to eliminate duplicates Z: 87 70.405 2.433 0.910 0.556 0.907 0.651 CB 1.706 87 residues pruned to eliminate duplicates Z: 56 51.096 2.431 0.978 0.519 0.891 0.582 CB 1.579 56 residues pruned to eliminate duplicates Z: 64 50.422 2.398 0.909 0.497 0.857 0.587 CB 1.624 64 residues pruned to eliminate duplicates Z: 62 58.406 2.408 0.902 0.498 0.951 0.623 CB 1.722 62 residues pruned to eliminate duplicates Z: 17 35.007 2.459 1.028 0.550 0.938 0.562 CB 1.783 17 residues pruned to eliminate duplicates Z: 19 40.067 2.495 1.131 0.489 0.944 0.667 CA 1.903 19 residues pruned to eliminate duplicates Z: 30 27.066 2.324 1.001 0.357 0.862 0.517 CB 1.463 30 residues pruned to eliminate duplicates Z: 85 61.034 2.399 0.814 0.523 0.869 0.571 CB 1.722 85 residues pruned to eliminate duplicates Z: 57 45.538 2.411 0.875 0.504 0.857 0.571 CB 1.565 57 residues pruned to eliminate duplicates Z: 59 51.286 2.409 1.009 0.500 0.862 0.552 CB 1.614 59 residues pruned to eliminate duplicates Z: 92 61.382 2.345 0.878 0.521 0.879 0.604 CB 1.628 92 residues pruned to eliminate duplicates Z: 86 67.933 2.416 0.930 0.527 0.894 0.600 CB 1.722 86 residues pruned to eliminate duplicates Z: 45 52.965 2.486 1.065 0.592 0.886 0.523 CB 1.607 45 residues pruned to eliminate duplicates Z: 58 49.376 2.404 0.903 0.492 0.895 0.474 CB 1.611 58 residues pruned to eliminate duplicates Z: 83 70.066 2.403 0.856 0.549 0.963 0.537 CB 1.716 83 residues pruned to eliminate duplicates Z: 88 68.571 2.414 0.878 0.537 0.931 0.575 CB 1.680 88 residues pruned to eliminate duplicates Z: 88 70.205 2.417 0.889 0.537 0.920 0.586 CB 1.729 88 residues pruned to eliminate duplicates Z: 88 73.555 2.432 0.993 0.530 0.943 0.609 CB 1.676 88 residues pruned to eliminate duplicates Z: 86 66.435 2.413 0.848 0.547 0.894 0.635 CB 1.725 86 residues pruned to eliminate duplicates Z: 105 71.359 2.360 0.877 0.524 0.894 0.587 CB 1.726 105 residues pruned to eliminate duplicates Z: 89 60.731 2.401 0.816 0.495 0.886 0.568 CB 1.683 89 residues pruned to eliminate duplicates Z: 113 72.910 2.371 0.912 0.481 0.911 0.607 CB 1.701 113 residues pruned to eliminate duplicates Z: 98 64.705 2.327 0.961 0.478 0.918 0.619 CB 1.604 98 residues pruned to eliminate duplicates Z: 104 64.790 2.296 0.978 0.479 0.903 0.544 CB 1.590 104 residues pruned to eliminate duplicates Z: 91 67.073 2.376 0.917 0.505 0.911 0.544 CB 1.696 91 residues pruned to eliminate duplicates Z: 59 47.175 2.392 0.850 0.505 0.879 0.603 CB 1.583 59 residues pruned to eliminate duplicates Z: 32 35.248 2.266 0.901 0.530 0.903 0.484 CB 1.580 32 residues pruned to eliminate duplicates Z: 63 52.865 2.406 0.855 0.461 0.935 0.597 CB 1.674 63 residues pruned to eliminate duplicates Z: 41 44.910 2.314 0.834 0.572 0.925 0.650 CB 1.687 41 residues pruned to eliminate duplicates Z: 95 65.894 2.406 0.910 0.498 0.883 0.564 CB 1.678 95 residues pruned to eliminate duplicates Z: 62 54.940 2.408 0.982 0.463 0.934 0.607 CB 1.637 62 residues pruned to eliminate duplicates Z: 63 55.630 2.366 0.927 0.493 0.935 0.613 CB 1.668 63 residues pruned to eliminate duplicates Z: 89 69.339 2.395 1.015 0.524 0.898 0.625 CB 1.666 89 residues pruned to eliminate duplicates Z: 91 71.123 2.390 0.955 0.509 0.922 0.567 CB 1.725 91 residues pruned to eliminate duplicates Z: 31 37.517 2.349 0.866 0.515 0.833 0.600 CB 1.848 31 residues pruned to eliminate duplicates Z: 86 67.279 2.383 0.920 0.529 0.906 0.565 CB 1.711 86 residues pruned to eliminate duplicates Z: 87 66.896 2.427 0.900 0.528 0.907 0.535 CB 1.677 87 residues pruned to eliminate duplicates Z: 89 68.630 2.411 0.927 0.526 0.898 0.636 CB 1.709 89 residues pruned to eliminate duplicates Z: 48 41.872 2.287 0.810 0.479 0.915 0.532 CB 1.646 48 residues pruned to eliminate duplicates Z: 135 74.683 2.292 0.857 0.497 0.940 0.642 CB 1.617 135 residues pruned to eliminate duplicates Z: 30 50.820 2.428 0.958 0.544 1.000 0.690 CA 1.901 30 residues pruned to eliminate duplicates Z: 92 64.163 2.348 0.929 0.510 0.901 0.604 CB 1.632 92 residues pruned to eliminate duplicates Z: 95 67.652 2.388 0.939 0.497 0.915 0.649 CB 1.652 95 residues pruned to eliminate duplicates Z: 31 47.089 2.358 0.918 0.582 0.933 0.533 CA 1.882 31 residues pruned to eliminate duplicates Z: 63 54.995 2.359 0.997 0.488 0.903 0.613 CB 1.662 63 residues pruned to eliminate duplicates Z: 62 44.217 2.179 0.944 0.439 0.902 0.557 CB 1.579 62 residues pruned to eliminate duplicates Z: 95 64.305 2.344 0.987 0.492 0.915 0.574 CB 1.569 95 residues pruned to eliminate duplicates Z: 62 58.335 2.408 0.958 0.468 0.918 0.607 CB 1.783 62 residues pruned to eliminate duplicates Z: 44 48.389 2.293 0.923 0.563 0.953 0.744 CB 1.652 44 residues pruned to eliminate duplicates Z: 111 72.409 2.394 0.937 0.475 0.900 0.555 CB 1.698 111 residues pruned to eliminate duplicates Z: 33 41.928 2.314 0.935 0.500 0.938 0.500 CA 1.766 33 residues pruned to eliminate duplicates Z: 61 53.401 2.430 0.902 0.452 0.917 0.650 CB 1.710 61 residues pruned to eliminate duplicates Z: 90 70.937 2.425 1.007 0.516 0.899 0.663 CB 1.692 90 residues pruned to eliminate duplicates Z: 40 49.757 2.317 0.946 0.542 1.000 0.718 CB 1.695 40 residues pruned to eliminate duplicates Z: 92 71.988 2.420 0.907 0.527 0.923 0.549 CB 1.726 92 residues pruned to eliminate duplicates Z: 32 50.108 2.345 0.976 0.617 1.000 0.806 CB 1.738 32 residues pruned to eliminate duplicates Z: 88 74.482 2.447 0.969 0.527 0.931 0.644 CB 1.733 88 residues pruned to eliminate duplicates Z: 33 41.870 2.288 0.886 0.556 1.000 0.594 CB 1.624 33 residues pruned to eliminate duplicates Z: 63 44.680 2.306 0.789 0.428 0.903 0.597 CB 1.641 63 residues pruned to eliminate duplicates Z: 67 57.945 2.389 0.952 0.466 0.939 0.636 CB 1.686 67 residues pruned to eliminate duplicates Z: 93 65.154 2.386 0.896 0.520 0.902 0.609 CB 1.633 93 residues pruned to eliminate duplicates Z: 49 46.388 2.291 0.963 0.489 0.958 0.562 CB 1.572 49 residues pruned to eliminate duplicates Z: 9 11.193 1.814 0.691 0.641 1.000 1.000 CB 1.131 9 residues pruned to eliminate duplicates Z: 97 72.356 2.378 0.953 0.516 0.927 0.594 CB 1.687 97 residues pruned to eliminate duplicates Z: 67 59.084 2.372 1.006 0.500 0.939 0.652 CB 1.628 67 residues pruned to eliminate duplicates Z: 15 9.181 1.760 0.469 0.475 0.786 0.571 CB 1.239 35 residues pruned to eliminate duplicates Z: 27 30.865 2.092 0.856 0.587 0.962 0.692 CB 1.493 28 residues pruned to eliminate duplicates Z: 29 29.726 2.058 0.687 0.611 0.964 0.714 CB 1.510 29 residues pruned to eliminate duplicates Z: 58 53.869 2.219 0.838 0.611 0.965 0.772 CB 1.632 58 residues pruned to eliminate duplicates Z: 30 24.032 1.952 0.652 0.559 0.897 0.621 CB 1.457 28 residues pruned to eliminate duplicates 6 1.995 1.368 0.335 0.362 0.800 0.800 CA 0.708 ? Z: 9 4.677 1.631 0.412 0.419 0.625 0.625 N 1.251 9 residues pruned to eliminate duplicates Z: 21 33.379 2.092 0.944 0.659 1.000 0.750 CB 1.584 21 residues pruned to eliminate duplicates Z: 21 34.668 2.108 0.905 0.712 1.000 0.750 CB 1.592 21 residues pruned to eliminate duplicates Z: 20 30.906 2.106 0.728 0.727 1.000 0.737 CB 1.588 20 residues pruned to eliminate duplicates Z: 28 30.569 1.990 0.938 0.578 0.963 0.778 CB 1.469 28 residues pruned to eliminate duplicates Z: 57 56.044 2.217 0.993 0.580 0.929 0.696 CB 1.691 57 residues pruned to eliminate duplicates Z: 22 29.345 2.078 0.798 0.598 1.000 0.714 CB 1.561 22 residues pruned to eliminate duplicates Z: 22 28.522 2.018 0.958 0.600 0.952 0.810 CB 1.503 22 residues pruned to eliminate duplicates Z: 27 29.780 2.105 0.790 0.601 0.923 0.769 CB 1.525 28 residues pruned to eliminate duplicates Z: 26 30.360 2.081 0.951 0.586 0.920 0.640 CB 1.497 26 residues pruned to eliminate duplicates Z: 10 25.967 2.148 1.032 0.800 1.000 0.889 CA 1.525 10 residues pruned to eliminate duplicates Z: 11 21.970 2.068 0.885 0.666 1.000 0.800 CA 1.528 11 residues pruned to eliminate duplicates Z: 20 25.010 2.093 0.719 0.573 0.947 0.684 CB 1.570 20 residues pruned to eliminate duplicates Z: 28 31.235 2.003 0.874 0.621 0.963 0.815 CB 1.483 28 residues pruned to eliminate duplicates Z: 10 19.078 2.099 1.058 0.548 0.889 0.556 CA 1.581 10 residues pruned to eliminate duplicates Z: 28 29.303 2.040 0.728 0.599 0.963 0.741 CB 1.512 28 residues pruned to eliminate duplicates Z: 27 40.186 2.174 1.062 0.597 0.923 0.615 CB 1.736 27 residues pruned to eliminate duplicates Z: 55 39.873 2.163 0.671 0.549 0.926 0.667 CB 1.545 55 residues pruned to eliminate duplicates Z: 33 28.991 1.973 0.896 0.526 0.875 0.500 CB 1.527 32 residues pruned to eliminate duplicates Z: 16 14.850 1.698 0.842 0.642 0.867 0.667 CB 1.238 16 residues pruned to eliminate duplicates Z: 28 40.698 2.117 0.970 0.619 1.000 0.815 CB 1.678 28 residues pruned to eliminate duplicates Z: 28 42.653 2.161 1.040 0.637 0.963 0.630 CB 1.700 28 residues pruned to eliminate duplicates Z: 28 43.750 2.172 0.983 0.613 1.000 0.630 CB 1.757 28 residues pruned to eliminate duplicates Z: 28 41.181 2.187 0.925 0.575 1.000 0.593 CB 1.751 28 residues pruned to eliminate duplicates Z: 28 40.710 2.175 0.875 0.615 1.000 0.519 CB 1.723 28 residues pruned to eliminate duplicates Z: 29 46.836 2.138 1.148 0.682 1.000 0.786 CB 1.631 29 residues pruned to eliminate duplicates Z: 29 33.027 2.061 0.995 0.570 0.893 0.607 CB 1.589 29 residues pruned to eliminate duplicates Z: 28 35.441 2.109 0.918 0.572 0.963 0.593 CA 1.633 28 residues pruned to eliminate duplicates Z: 29 44.465 2.140 1.083 0.611 1.000 0.607 CB 1.698 29 residues pruned to eliminate duplicates Z: 35 34.657 2.023 0.868 0.548 0.912 0.618 CA 1.647 35 residues pruned to eliminate duplicates Z: 32 37.747 2.036 0.949 0.595 0.968 0.710 CB 1.612 32 residues pruned to eliminate duplicates Z: 28 43.334 2.203 0.976 0.643 0.963 0.704 CB 1.740 28 residues pruned to eliminate duplicates Z: 28 41.528 2.196 0.888 0.634 1.000 0.593 CB 1.700 28 residues pruned to eliminate duplicates Z: 29 39.506 2.122 1.010 0.585 0.929 0.643 CB 1.737 29 residues pruned to eliminate duplicates Z: 30 36.848 2.097 0.903 0.619 0.966 0.552 CB 1.587 30 residues pruned to eliminate duplicates Z: 28 45.077 2.180 0.989 0.644 1.000 0.481 CB 1.749 28 residues pruned to eliminate duplicates Z: 29 38.004 2.132 0.884 0.605 0.964 0.643 CB 1.678 29 residues pruned to eliminate duplicates Z: 8 19.561 2.108 0.921 0.633 0.857 0.571 CA 1.881 8 residues pruned to eliminate duplicates Z: 31 27.957 2.064 0.958 0.559 0.867 0.533 CB 1.376 31 residues pruned to eliminate duplicates Z: 86 57.884 2.253 0.739 0.563 0.918 0.659 CB 1.643 86 residues pruned to eliminate duplicates Z: 28 18.877 2.078 0.674 0.411 0.815 0.593 CB 1.407 28 residues pruned to eliminate duplicates Z: 55 39.182 2.144 0.715 0.566 0.889 0.667 CB 1.530 55 residues pruned to eliminate duplicates Z: 29 30.326 2.227 0.545 0.590 0.964 0.679 CB 1.584 29 residues pruned to eliminate duplicates Z: 30 27.658 2.183 0.408 0.615 0.966 0.759 CB 1.552 30 residues pruned to eliminate duplicates Z: 6 3.845 1.653 0.560 0.236 1.000 0.400 CA 0.906 6 residues pruned to eliminate duplicates Z: 29 30.387 2.233 0.501 0.572 0.964 0.679 CB 1.657 29 residues pruned to eliminate duplicates Z: 33 27.664 2.227 0.566 0.511 0.906 0.594 CB 1.530 33 residues pruned to eliminate duplicates Z: 60 54.692 2.282 0.786 0.564 0.966 0.729 CB 1.699 60 residues pruned to eliminate duplicates Z: 31 25.548 2.151 0.430 0.569 0.933 0.633 CB 1.521 31 residues pruned to eliminate duplicates Z: 63 47.224 2.261 0.750 0.528 0.935 0.629 CB 1.577 63 residues pruned to eliminate duplicates Z: 56 41.692 2.172 0.685 0.581 0.927 0.673 CB 1.532 56 residues pruned to eliminate duplicates Z: 32 26.644 2.138 0.537 0.525 0.935 0.710 CB 1.520 32 residues pruned to eliminate duplicates Z: 56 43.868 2.181 0.727 0.573 0.945 0.655 CB 1.549 56 residues pruned to eliminate duplicates Z: 26 27.614 2.230 0.682 0.572 0.880 0.680 CB 1.561 26 residues pruned to eliminate duplicates Z: 22 27.239 2.220 0.588 0.609 1.000 0.667 CB 1.521 23 residues pruned to eliminate duplicates Z: 7 4.307 1.702 0.138 0.372 1.000 0.333 CB 1.041 7 residues pruned to eliminate duplicates Z: 29 31.990 2.220 0.554 0.589 1.000 0.714 CB 1.610 29 residues pruned to eliminate duplicates Z: 62 47.653 2.276 0.623 0.527 0.967 0.656 CB 1.663 188 residues pruned to eliminate duplicates Z: 30 26.428 2.174 0.569 0.525 0.931 0.690 CB 1.508 30 residues pruned to eliminate duplicates Z: 86 62.908 2.256 0.801 0.550 0.941 0.647 CB 1.699 86 residues pruned to eliminate duplicates Z: 23 27.688 2.183 0.631 0.563 0.955 0.727 CB 1.633 23 residues pruned to eliminate duplicates Z: 25 23.946 2.074 0.604 0.602 0.958 0.750 CB 1.391 25 residues pruned to eliminate duplicates Z: 37 26.820 2.056 0.623 0.487 0.944 0.750 CB 1.436 37 residues pruned to eliminate duplicates Z: 15 10.227 1.913 0.530 0.581 0.857 0.786 CB 1.008 15 residues pruned to eliminate duplicates Z: 43 53.838 2.305 0.922 0.594 1.000 0.714 CA 1.714 43 residues pruned to eliminate duplicates Z: 60 51.886 2.249 0.788 0.533 0.966 0.661 CB 1.684 60 residues pruned to eliminate duplicates Z: 55 44.497 2.209 0.758 0.493 0.944 0.630 CB 1.663 55 residues pruned to eliminate duplicates 284 residues left after pruning, divided into chains as follows: A: 9 B: 7 C: 9 D: 6 E: 9 F: 244 CC for partial structure against native data = 24.26 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.543, Connect. = 0.679 for dens.mod. cycle 1 = 0.300, Contrast = 0.648, Connect. = 0.716 for dens.mod. cycle 2 = 0.301, Contrast = 0.783, Connect. = 0.765 for dens.mod. cycle 3 = 0.300, Contrast = 0.815, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.844, Connect. = 0.776 for dens.mod. cycle 5 = 0.300, Contrast = 0.860, Connect. = 0.780 for dens.mod. cycle 6 = 0.300, Contrast = 0.874, Connect. = 0.783 for dens.mod. cycle 7 = 0.300, Contrast = 0.883, Connect. = 0.785 for dens.mod. cycle 8 = 0.300, Contrast = 0.890, Connect. = 0.786 for dens.mod. cycle 9 = 0.300, Contrast = 0.894, Connect. = 0.788 for dens.mod. cycle 10 TimeTaking 174.17